G4VRC1_SCHMA Loading...

Putative gtp-binding protein alpha subunit, gna

AlphaFold DB , UniProt , Accession G4VRC1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 440 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.5	Very low	41.3	Very low	244 Å²	244	142.2 Å²	142.2	100%	1.202	83%	0.827	S	S	*	*				0	116.6	0	-68.6	179.3	-153.9	0	0	108.4
2	S	34.5	Very low	42.5	Very low	103 Å²	103	137.7 Å²	137.7	72%	0.72	82%	0.819	S	S	*	*			trans	35.1	95	155.6	-166.3	0	0	0	0	119.9
3	V	37.8	Very low	43.1	Very low	147 Å²	147	139.5 Å²	139.5	89%	0.891	81%	0.81	S	S	*	*				-133	111.2	125.2	-176.2	0	0	0	0	108.1
4	T	38.4	Very low	43.9	Very low	105 Å²	105	136.1 Å²	136.1	64%	0.644	80%	0.796	S	S	*	*			trans	-58	142	175	30.9	0	0	0	0	114.8
5	L	35	Very low	44.2	Very low	163 Å²	163	140.9 Å²	140.9	85%	0.853	80%	0.803	S	S	*	*			trans	11	134.3	140.4	-80.9	79.2	0	0	0	118.7
6	S	36.3	Very low	44.9	Very low	99 Å²	99	142.6 Å²	142.6	69%	0.692	80%	0.802	S	S	*	*			trans	-175.5	3	134.3	41	0	0	0	0	117.6
7	F	42.4	Very low	45.5	Very low	207 Å²	207	141.9 Å²	141.9	91%	0.908	81%	0.808	S	S	*	*	S	Bend	trans	-103	13.6	-172.8	-82.4	-80.5	0	0	0	117.7
8	L	44	Very low	46.2	Very low	181 Å²	181	137.5 Å²	137.5	95%	0.948	78%	0.781	S	S	*	*	S	Bend	trans	-118.8	17.8	-179.1	-83.3	162	0	0	0	115.7
9	A	42.3	Very low	47.5	Very low	76 Å²	76	134.7 Å²	134.7	63%	0.628	76%	0.764	S	S	*	*			trans	-99	15.7	-176.5	0	0	0	0	0	116	C11	A9-C11 PolarHBondContact O-N 2.74Å
10	C	53.4	Low	49	Very low	125 Å²	125	134.1 Å²	134.1	85%	0.845	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	-3.4	-171.2	-142.2	0	0	0	0	115.5
11	C	55.5	Low	50.5	Low	114 Å²	114	136.2 Å²	136.2	77%	0.77	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.7	14	-176	-60.4	0	0	0	0	114.7	A9 F13	A9-C11 PolarHBondContact O-N 2.74Å; C11-F13 PolarHBondContact O-N 3.16Å
12	A	55.5	Low	52.8	Low	88 Å²	88	130.2 Å²	130.2	73%	0.727	72%	0.723	S	S	*	*			trans	-79.9	87.4	178.2	0	0	0	0	0	110.9
13	F	51.3	Low	55	Low	161 Å²	161	128 Å²	128	71%	0.706	70%	0.703	S	S	*	*			trans	-69.1	134.8	168.8	-87.6	-90.9	0	0	0	110.7	C11 K15	C11-F13 PolarHBondContact O-N 3.16Å; F13-K15 PolarHBondContact O-N 3.35Å
14	P	54.3	Low	57.4	Low	93 Å²	93	124.9 Å²	124.9	60%	0.604	68%	0.68	S	S	*	*			trans	-66.2	117.3	158.5	-6.5	22.6	0	0	0	107.9	E16 I18	P14-E16 VanDerWaalsContact C-N 3.31Å; P14-E16 PolarHBondContact O-N 2.98Å; P14-E16 VanDerWaalsContact O-N 3.16Å; P14-I18 HydrophobicContact CB-CD1 4.41Å; P14-I18 HydrophobicContact CG-CD1 4.37Å
15	K	48.6	Very low	59.7	Low	208 Å²	208	126.8 Å²	126.8	90%	0.904	68%	0.68	S	S	*	*			trans	-83.1	72.9	173.4	-75.3	-174.6	176	-179.9	0	110.1	F13	F13-K15 PolarHBondContact O-N 3.35Å
16	E	54.6	Low	62.3	Low	168 Å²	168	127.1 Å²	127.1	79%	0.785	67%	0.67	S	S	*	*	S	Bend	trans	-139.4	156.9	162.5	-74.1	-174.3	160.4	0	0	108.1	P14 I18	P14-E16 VanDerWaalsContact C-N 3.31Å; P14-E16 PolarHBondContact O-N 2.98Å; P14-E16 VanDerWaalsContact O-N 3.16Å; E16-I18 VanDerWaalsContact C-N 3.3Å; E16-I18 WeakPolarHBondContact O-CG1 3.4Å; E16-I18 PolarHBondContact O-N 3.28Å
17	S	54.7	Low	64.7	Low	131 Å²	131	127 Å²	127	92%	0.916	66%	0.658	S	S	*	*			trans	-61.9	82.8	-172	56	0	0	0	0	112.2
18	I	59.1	Low	67.1	Low	62 Å²	62	121.8 Å²	121.8	32%	0.318	64%	0.637	S	S	.	*			trans	-81.5	124.3	176.7	-64.9	163.7	0	0	0	107.5	P14 E16 D20 E22 I23	P14-I18 HydrophobicContact CB-CD1 4.41Å; P14-I18 HydrophobicContact CG-CD1 4.37Å; E16-I18 VanDerWaalsContact C-N 3.3Å; E16-I18 WeakPolarHBondContact O-CG1 3.4Å; E16-I18 PolarHBondContact O-N 3.28Å; I18-D20 PolarHBondContact O-N 2.78Å; I18-E22 HydrophobicContact CG2-CB 3.67Å; I18-I23 HydrophobicContact CB-CG1 4.31Å; I18-I23 HydrophobicContact CG2-CD1 4.37Å; I18-I23 HydrophobicContact CG2-CG1 3.67Å
19	D	71.1	Confident	69.4	Low	85 Å²	85	119.6 Å²	119.6	46%	0.455	62%	0.619	S	S	.	*			trans	-48.9	128.2	172.1	176.4	2.9	0	0	0	109.5	R21 E22 I23	D19-R21 PolarHBondContact O-N 2.96Å; D19-R21 WeakPolarHBondContact OD1-CB 3.47Å; D19-R21 WeakPolarHBondContact OD1-CG 3.42Å; D19-R21 PolarHBondContact OD1-N 2.93Å; D19-R21 WeakPolarHBondContact OD2-CB 3.36Å; D19-E22 HydrophobicContact CB-CG 4.32Å; D19-E22 WeakPolarHBondContact O-CA 3.44Å; D19-E22 WeakPolarHBondContact O-CB 3.3Å; D19-E22 PolarHBondContact O-N 3.46Å; D19-I23 PolarHBondContact O-N 3.26Å
20	D	76.8	Confident	71.6	Confident	121 Å²	121	120.6 Å²	120.6	65%	0.647	61%	0.607	S	S	*	*	H	α-helix	trans	-48.2	-30	175.5	-74.9	-29.7	0	0	0	111.4	I18 I23 I24	I18-D20 PolarHBondContact O-N 2.78Å; D20-I23 PolarHBondContact O-N 3.28Å; D20-I24 WeakPolarHBondContact O-CB 3.18Å; D20-I24 WeakPolarHBondContact O-CD1 3.27Å; D20-I24 WeakPolarHBondContact O-CG1 3.46Å; D20-I24 PolarHBondContact O-N 3.3Å
21	R	81.2	Confident	73.4	Confident	180 Å²	180	119.1 Å²	119.1	68%	0.679	59%	0.591	S	S	*	*	H	α-helix	trans	-66.4	-36.8	174.8	-60.9	177.6	178.1	-165.3	0.8	113.7	D19 K25	D19-R21 PolarHBondContact O-N 2.96Å; D19-R21 WeakPolarHBondContact OD1-CB 3.47Å; D19-R21 WeakPolarHBondContact OD1-CG 3.42Å; D19-R21 PolarHBondContact OD1-N 2.93Å; D19-R21 WeakPolarHBondContact OD2-CB 3.36Å; R21-K25 WeakPolarHBondContact O-CB 3.48Å; R21-K25 VanDerWaalsContact O-CG 3.3Å; R21-K25 WeakPolarHBondContact O-CG 3.49Å; R21-K25 PolarHBondContact O-N 2.95Å
22	E	83	Confident	75.2	Confident	118 Å²	118	121.9 Å²	121.9	55%	0.551	59%	0.585	S	S	*	*	H	α-helix	trans	-70.8	-39.2	176.2	-71	-165.8	152.7	0	0	111.2	I18 D19 K25 W26	I18-E22 HydrophobicContact CG2-CB 3.67Å; D19-E22 HydrophobicContact CB-CG 4.32Å; D19-E22 WeakPolarHBondContact O-CA 3.44Å; D19-E22 WeakPolarHBondContact O-CB 3.3Å; D19-E22 PolarHBondContact O-N 3.46Å; E22-K25 PolarHBondContact O-N 2.89Å; E22-W26 WeakPolarHBondContact O-CB 3.44Å; E22-W26 PolarHBondContact O-N 2.92Å
23	I	80.3	Confident	76.9	Confident	56 Å²	56	121.3 Å²	121.3	29%	0.287	57%	0.567	S	S	.	*	H	α-helix	trans	-59.5	-48.9	172.7	-59.9	178.8	0	0	0	110	I18 D19 D20 K25 W26 Q27	I18-I23 HydrophobicContact CB-CG1 4.31Å; I18-I23 HydrophobicContact CG2-CD1 4.37Å; I18-I23 HydrophobicContact CG2-CG1 3.67Å; D19-I23 PolarHBondContact O-N 3.26Å; D20-I23 PolarHBondContact O-N 3.28Å; I23-K25 PolarHBondContact O-N 3.03Å; I23-W26 PolarHBondContact O-N 3.43Å; I23-Q27 HydrophobicContact CG2-CG 4.42Å; I23-Q27 WeakPolarHBondContact O-CB 3.32Å; I23-Q27 VanDerWaalsContact O-CG 3.32Å; I23-Q27 WeakPolarHBondContact O-CG 3.4Å; I23-Q27 PolarHBondContact O-N 3.42Å
24	I	86.7	Confident	78.8	Confident	82 Å²	82	116.7 Å²	116.7	42%	0.421	55%	0.549	S	S	.	.	H	α-helix	trans	-60.9	-43.4	177.8	-69.2	164.1	0	0	0	111.1	D20 Q27 Q28	D20-I24 WeakPolarHBondContact O-CB 3.18Å; D20-I24 WeakPolarHBondContact O-CD1 3.27Å; D20-I24 WeakPolarHBondContact O-CG1 3.46Å; D20-I24 PolarHBondContact O-N 3.3Å; I24-Q27 PolarHBondContact O-N 2.91Å; I24-Q28 HydrophobicContact CG2-CG 4.44Å; I24-Q28 WeakPolarHBondContact O-CB 3.47Å; I24-Q28 VanDerWaalsContact O-CG 3.27Å; I24-Q28 WeakPolarHBondContact O-CG 3.45Å; I24-Q28 PolarHBondContact O-N 2.98Å
25	K	88.4	Confident	80.6	Confident	144 Å²	144	118.5 Å²	118.5	63%	0.626	55%	0.549	S	S	*	.	H	α-helix	trans	-62.6	-43.1	176.9	-79.2	175.9	-178.7	175.8	0	112.3	R21 E22 I23 Q28 K29	R21-K25 WeakPolarHBondContact O-CB 3.48Å; R21-K25 VanDerWaalsContact O-CG 3.3Å; R21-K25 WeakPolarHBondContact O-CG 3.49Å; R21-K25 PolarHBondContact O-N 2.95Å; E22-K25 PolarHBondContact O-N 2.89Å; I23-K25 PolarHBondContact O-N 3.03Å; K25-Q28 PolarHBondContact O-N 3.44Å; K25-K29 PolarHBondContact O-N 3.43Å
26	W	88.7	Confident	82.7	Confident	171 Å²	171	116.6 Å²	116.6	65%	0.648	54%	0.541	S	S	*	.	H	α-helix	trans	-64	-45.6	177.1	-178.6	93.6	0	0	0	111.3	E22 I23 Q28 K29 R30	E22-W26 WeakPolarHBondContact O-CB 3.44Å; E22-W26 PolarHBondContact O-N 2.92Å; I23-W26 PolarHBondContact O-N 3.43Å; W26-Q28 VanDerWaalsContact C-N 3.35Å; W26-Q28 PolarHBondContact O-N 3.03Å; W26-K29 PolarHBondContact O-N 3.48Å; W26-R30 HydrophobicContact CH2-CB 4.49Å; W26-R30 HydrophobicContact CH2-CG 4.28Å; W26-R30 HydrophobicContact CZ3-CB 4.44Å; W26-R30 WeakPolarHBondContact O-CB 3.29Å; W26-R30 PolarHBondContact O-N 3.49Å
27	Q	87.8	Confident	84.3	Confident	97 Å²	97	114.4 Å²	114.4	45%	0.453	53%	0.531	S	S	.	.	H	α-helix	trans	-59.7	-43.5	175.8	-73.9	176.5	-12.8	0	0	111.8	I23 I24 K29 R30 N31	I23-Q27 HydrophobicContact CG2-CG 4.42Å; I23-Q27 WeakPolarHBondContact O-CB 3.32Å; I23-Q27 VanDerWaalsContact O-CG 3.32Å; I23-Q27 WeakPolarHBondContact O-CG 3.4Å; I23-Q27 PolarHBondContact O-N 3.42Å; I24-Q27 PolarHBondContact O-N 2.91Å; Q27-K29 PolarHBondContact O-N 3.38Å; Q27-R30 PolarHBondContact O-N 3.2Å; Q27-N31 WeakPolarHBondContact O-CB 3.28Å; Q27-N31 VanDerWaalsContact O-CG 3.22Å; Q27-N31 PolarHBondContact O-N 3.04Å
28	Q	91.7	Very high	86	Confident	97 Å²	97	112.7 Å²	112.7	45%	0.453	51%	0.511	S	S	.	.	H	α-helix	trans	-62.9	-41.4	175.7	-74.3	176.2	2	0	0	112.4	I24 K25 W26 R32	I24-Q28 HydrophobicContact CG2-CG 4.44Å; I24-Q28 WeakPolarHBondContact O-CB 3.47Å; I24-Q28 VanDerWaalsContact O-CG 3.27Å; I24-Q28 WeakPolarHBondContact O-CG 3.45Å; I24-Q28 PolarHBondContact O-N 2.98Å; K25-Q28 PolarHBondContact O-N 3.44Å; W26-Q28 VanDerWaalsContact C-N 3.35Å; W26-Q28 PolarHBondContact O-N 3.03Å; Q28-R32 VanDerWaalsContact O-CG 3.29Å; Q28-R32 WeakPolarHBondContact O-CG 3.45Å; Q28-R32 PolarHBondContact O-N 2.87Å
29	K	92.3	Very high	87.4	Confident	134 Å²	134	117.6 Å²	117.6	58%	0.583	53%	0.53	S	S	*	.	H	α-helix	trans	-63.9	-46.8	175.8	-174.6	-178	175.5	-173.5	0	111.1	K25 W26 Q27 N31 R32 E33	K25-K29 PolarHBondContact O-N 3.43Å; W26-K29 PolarHBondContact O-N 3.48Å; Q27-K29 PolarHBondContact O-N 3.38Å; K29-N31 PolarHBondContact O-N 2.97Å; K29-R32 PolarHBondContact O-N 2.88Å; K29-E33 VanDerWaalsContact CE-OE1 3.28Å; K29-E33 WeakPolarHBondContact CE-OE1 3.36Å; K29-E33 WeakPolarHBondContact O-CG 3.48Å; K29-E33 PolarHBondContact O-N 3.27Å
30	R	88.3	Confident	88	Confident	98 Å²	98	121.5 Å²	121.5	37%	0.37	54%	0.543	S	S	.	.	H	α-helix	trans	-61.8	-42.5	178	-173.5	59.8	174.2	150.9	2.8	112	W26 Q27 E33 I34	W26-R30 HydrophobicContact CH2-CB 4.49Å; W26-R30 HydrophobicContact CH2-CG 4.28Å; W26-R30 HydrophobicContact CZ3-CB 4.44Å; W26-R30 WeakPolarHBondContact O-CB 3.29Å; W26-R30 PolarHBondContact O-N 3.49Å; Q27-R30 PolarHBondContact O-N 3.2Å; R30-E33 IonicContact NH1-OE2 3.73Å; R30-E33 PolarHBondContact O-N 2.99Å; R30-I34 HydrophobicContact CG-CD1 4.06Å; R30-I34 VanDerWaalsContact O-CG1 3.3Å; R30-I34 WeakPolarHBondContact O-CG1 3.44Å; R30-I34 PolarHBondContact O-N 2.87Å
31	N	91.7	Very high	88.2	Confident	93 Å²	93	119 Å²	119	50%	0.497	53%	0.527	S	S	.	.	H	α-helix	trans	-61.9	-43.1	175.2	-74	-10.5	0	0	0	111.8	Q27 K29 E33 I34 E35	Q27-N31 WeakPolarHBondContact O-CB 3.28Å; Q27-N31 VanDerWaalsContact O-CG 3.22Å; Q27-N31 PolarHBondContact O-N 3.04Å; K29-N31 PolarHBondContact O-N 2.97Å; N31-E33 VanDerWaalsContact C-N 3.34Å; N31-E33 PolarHBondContact O-N 3.45Å; N31-I34 PolarHBondContact O-N 2.96Å; N31-E35 WeakPolarHBondContact O-CB 3.3Å; N31-E35 WeakPolarHBondContact O-CG 3.41Å; N31-E35 PolarHBondContact O-N 3.27Å
32	R	92.6	Very high	88.1	Confident	173 Å²	173	117 Å²	117	65%	0.653	52%	0.523	S	S	*	.	H	α-helix	trans	-62.9	-38.1	175.2	-72.5	174	-172.4	175.8	4.7	112.7	Q28 K29 K36	Q28-R32 VanDerWaalsContact O-CG 3.29Å; Q28-R32 WeakPolarHBondContact O-CG 3.45Å; Q28-R32 PolarHBondContact O-N 2.87Å; K29-R32 PolarHBondContact O-N 2.88Å; R32-K36 WeakPolarHBondContact O-CB 3.37Å; R32-K36 PolarHBondContact O-N 3.33Å
33	E	92.5	Very high	87.8	Confident	75 Å²	75	114.4 Å²	114.4	35%	0.35	52%	0.518	S	S	.	.	H	α-helix	trans	-64	-47.7	175.1	-73.1	169.4	-175.3	0	0	111.2	K29 R30 N31 E35 K36 E37	K29-E33 VanDerWaalsContact CE-OE1 3.28Å; K29-E33 WeakPolarHBondContact CE-OE1 3.36Å; K29-E33 WeakPolarHBondContact O-CG 3.48Å; K29-E33 PolarHBondContact O-N 3.27Å; R30-E33 IonicContact NH1-OE2 3.73Å; R30-E33 PolarHBondContact O-N 2.99Å; N31-E33 VanDerWaalsContact C-N 3.34Å; N31-E33 PolarHBondContact O-N 3.45Å; E33-E35 PolarHBondContact O-N 3.24Å; E33-K36 WeakPolarHBondContact O-CB 3.47Å; E33-K36 PolarHBondContact O-N 3.03Å; E33-E37 PolarHBondContact O-N 3.38Å
34	I	90.5	Very high	87.6	Confident	64 Å²	64	117.2 Å²	117.2	33%	0.328	53%	0.525	S	S	.	.	H	α-helix	trans	-60.3	-45.2	176.1	-67.3	165.9	0	0	0	110.8	R30 N31 K36 E37 L38	R30-I34 HydrophobicContact CG-CD1 4.06Å; R30-I34 VanDerWaalsContact O-CG1 3.3Å; R30-I34 WeakPolarHBondContact O-CG1 3.44Å; R30-I34 PolarHBondContact O-N 2.87Å; N31-I34 PolarHBondContact O-N 2.96Å; I34-K36 VanDerWaalsContact C-N 3.3Å; I34-K36 PolarHBondContact O-N 3.2Å; I34-E37 PolarHBondContact O-N 2.83Å; I34-L38 HydrophobicContact CG2-CD1 3.86Å; I34-L38 HydrophobicContact CG2-CG 4.24Å; I34-L38 WeakPolarHBondContact O-CB 3.39Å; I34-L38 VanDerWaalsContact O-CG 3.27Å; I34-L38 WeakPolarHBondContact O-CG 3.46Å; I34-L38 PolarHBondContact O-N 3.47Å
35	E	92	Very high	86.9	Confident	131 Å²	131	117.3 Å²	117.3	61%	0.612	53%	0.526	S	S	*	.	H	α-helix	trans	-60.6	-38.8	176.6	-77.6	179.4	178.1	0	0	112.5	N31 E33 L38 K39	N31-E35 WeakPolarHBondContact O-CB 3.3Å; N31-E35 WeakPolarHBondContact O-CG 3.41Å; N31-E35 PolarHBondContact O-N 3.27Å; E33-E35 PolarHBondContact O-N 3.24Å; E35-L38 PolarHBondContact O-N 2.85Å; E35-K39 WeakPolarHBondContact O-CB 3.27Å; E35-K39 PolarHBondContact O-N 3.47Å
36	K	92	Very high	86	Confident	168 Å²	168	120.6 Å²	120.6	73%	0.73	54%	0.535	S	S	*	.	H	α-helix	trans	-66.6	-43	176.6	-171.2	179.8	179.5	-177.1	0	111.4	R32 E33 I34 K39 K40	R32-K36 WeakPolarHBondContact O-CB 3.37Å; R32-K36 PolarHBondContact O-N 3.33Å; E33-K36 WeakPolarHBondContact O-CB 3.47Å; E33-K36 PolarHBondContact O-N 3.03Å; I34-K36 VanDerWaalsContact C-N 3.3Å; I34-K36 PolarHBondContact O-N 3.2Å; K36-K39 PolarHBondContact O-N 3.02Å; K36-K40 PolarHBondContact O-N 3.41Å
37	E	89.6	Confident	85.3	Confident	123 Å²	123	118 Å²	118	58%	0.575	53%	0.53	S	S	*	.	H	α-helix	trans	-62.5	-46.5	174	-73.6	176.3	-176.4	0	0	111.3	E33 I34 K39 K40 E41	E33-E37 PolarHBondContact O-N 3.38Å; I34-E37 PolarHBondContact O-N 2.83Å; E37-K39 VanDerWaalsContact C-N 3.34Å; E37-K39 PolarHBondContact O-N 3.49Å; E37-K40 WeakPolarHBondContact O-CB 3.28Å; E37-K40 PolarHBondContact O-N 2.87Å; E37-E41 WeakPolarHBondContact O-CB 3.31Å; E37-E41 PolarHBondContact O-N 3.4Å
38	L	88.6	Confident	85.1	Confident	94 Å²	94	115.8 Å²	115.8	49%	0.492	52%	0.518	S	S	.	.	H	α-helix	trans	-61.2	-39.5	175.9	-73.3	173	0	0	0	112.3	I34 E35 E41 K42	I34-L38 HydrophobicContact CG2-CD1 3.86Å; I34-L38 HydrophobicContact CG2-CG 4.24Å; I34-L38 WeakPolarHBondContact O-CB 3.39Å; I34-L38 VanDerWaalsContact O-CG 3.27Å; I34-L38 WeakPolarHBondContact O-CG 3.46Å; I34-L38 PolarHBondContact O-N 3.47Å; E35-L38 PolarHBondContact O-N 2.85Å; L38-E41 PolarHBondContact O-N 3.02Å; L38-K42 VanDerWaalsContact O-CB 3.31Å; L38-K42 WeakPolarHBondContact O-CB 3.34Å; L38-K42 VanDerWaalsContact O-CG 3.28Å; L38-K42 WeakPolarHBondContact O-CG 3.5Å; L38-K42 PolarHBondContact O-N 2.83Å
39	K	88.6	Confident	84.8	Confident	165 Å²	165	112.2 Å²	112.2	72%	0.717	50%	0.501	S	S	*	.	H	α-helix	trans	-66.5	-40.9	176.5	-172.2	176	-179.2	178.6	0	111.4	E35 K36 E37 S43	E35-K39 WeakPolarHBondContact O-CB 3.27Å; E35-K39 PolarHBondContact O-N 3.47Å; K36-K39 PolarHBondContact O-N 3.02Å; E37-K39 VanDerWaalsContact C-N 3.34Å; E37-K39 PolarHBondContact O-N 3.49Å; K39-S43 PolarHBondContact O-N 3.21Å
40	K	83.9	Confident	84.7	Confident	168 Å²	168	107.3 Å²	107.3	73%	0.73	48%	0.48	S	S	*	.	H	α-helix	trans	-63.7	-45.2	175.1	-171.1	-179.4	178.6	-174.3	0	110.9	K36 E37 S43 R44	K36-K40 PolarHBondContact O-N 3.41Å; E37-K40 WeakPolarHBondContact O-CB 3.28Å; E37-K40 PolarHBondContact O-N 2.87Å; K40-S43 WeakPolarHBondContact O-CB 3.43Å; K40-S43 PolarHBondContact O-N 3.1Å; K40-R44 PolarHBondContact O-N 3.1Å
41	E	81.8	Confident	85	Confident	68 Å²	68	102.6 Å²	102.6	32%	0.318	46%	0.463	S	S	.	.	H	α-helix	trans	-66.2	-43.2	178.2	-172.3	57.6	-159.1	0	0	111.9	E37 L38 S43 R44 L45	E37-E41 WeakPolarHBondContact O-CB 3.31Å; E37-E41 PolarHBondContact O-N 3.4Å; L38-E41 PolarHBondContact O-N 3.02Å; E41-S43 VanDerWaalsContact C-N 3.28Å; E41-S43 PolarHBondContact O-N 3.34Å; E41-R44 VanDerWaalsContact CD-NH2 3.3Å; E41-R44 WeakPolarHBondContact O-CB 3.48Å; E41-R44 PolarHBondContact O-N 3.31Å; E41-R44 VanDerWaalsContact O-N 3.1Å; E41-R44 IonicContact OE1-CZ 3.77Å; E41-R44 IonicContact OE1-NE 3.64Å; E41-R44 PolarHBondContact OE1-NE 2.74Å; E41-R44 IonicContact OE1-NH2 3.33Å; E41-R44 PolarHBondContact OE1-NH2 3.33Å; E41-R44 IonicContact OE2-CZ 3.46Å; E41-R44 IonicContact OE2-NE 3.1Å; E41-R44 PolarHBondContact OE2-NE 3.26Å; E41-R44 IonicContact OE2-NH2 2.74Å; E41-R44 PolarHBondContact OE2-NH2 2.8Å; E41-R44 VanDerWaalsContact OE2-NH2 3.1Å; E41-L45 HydrophobicContact CG-CD1 4.21Å; E41-L45 HydrophobicContact CG-CG 4.37Å; E41-L45 WeakPolarHBondContact O-CB 3.3Å; E41-L45 VanDerWaalsContact O-CG 3.3Å; E41-L45 WeakPolarHBondContact O-CG 3.47Å; E41-L45 PolarHBondContact O-N 3Å
42	K	79.2	Confident	85.2	Confident	137 Å²	137	98.2 Å²	98.2	60%	0.596	44%	0.439	S	S	*	.	H	α-helix	trans	-57.9	-40.3	172.8	-79.6	179.2	179.3	-179.4	0	112.3	L38 R46	L38-K42 VanDerWaalsContact O-CB 3.31Å; L38-K42 WeakPolarHBondContact O-CB 3.34Å; L38-K42 VanDerWaalsContact O-CG 3.28Å; L38-K42 WeakPolarHBondContact O-CG 3.5Å; L38-K42 PolarHBondContact O-N 2.83Å; K42-R46 WeakPolarHBondContact O-CB 3.3Å; K42-R46 VanDerWaalsContact O-CG 3.3Å; K42-R46 WeakPolarHBondContact O-CG 3.49Å; K42-R46 PolarHBondContact O-N 3.42Å
43	S	76.7	Confident	85.4	Confident	64 Å²	64	90 Å²	90	45%	0.448	41%	0.408	S	S	.	.	H	α-helix	trans	-65.5	-41.4	175.6	-167.4	0	0	0	0	111.6	K39 K40 E41 R46 Q47	K39-S43 PolarHBondContact O-N 3.21Å; K40-S43 WeakPolarHBondContact O-CB 3.43Å; K40-S43 PolarHBondContact O-N 3.1Å; E41-S43 VanDerWaalsContact C-N 3.28Å; E41-S43 PolarHBondContact O-N 3.34Å; S43-R46 PolarHBondContact O-N 2.87Å; S43-Q47 PolarHBondContact O-N 2.97Å
44	R	75.6	Confident	85.6	Confident	115 Å²	115	86.4 Å²	86.4	43%	0.434	39%	0.391	S	S	.	.	H	α-helix	trans	-62.6	-48.2	175.7	-170.2	174.1	74.6	130.7	2.4	111.1	K40 E41 R46 Q47 R48	K40-R44 PolarHBondContact O-N 3.1Å; E41-R44 VanDerWaalsContact CD-NH2 3.3Å; E41-R44 WeakPolarHBondContact O-CB 3.48Å; E41-R44 PolarHBondContact O-N 3.31Å; E41-R44 VanDerWaalsContact O-N 3.1Å; E41-R44 IonicContact OE1-CZ 3.77Å; E41-R44 IonicContact OE1-NE 3.64Å; E41-R44 PolarHBondContact OE1-NE 2.74Å; E41-R44 IonicContact OE1-NH2 3.33Å; E41-R44 PolarHBondContact OE1-NH2 3.33Å; E41-R44 IonicContact OE2-CZ 3.46Å; E41-R44 IonicContact OE2-NE 3.1Å; E41-R44 PolarHBondContact OE2-NE 3.26Å; E41-R44 IonicContact OE2-NH2 2.74Å; E41-R44 PolarHBondContact OE2-NH2 2.8Å; E41-R44 VanDerWaalsContact OE2-NH2 3.1Å; R44-R46 VanDerWaalsContact C-N 3.31Å; R44-R46 PolarHBondContact O-N 3.37Å; R44-Q47 PolarHBondContact O-N 3.39Å; R44-R48 PolarHBondContact O-N 3.15Å; R44-R48 VanDerWaalsContact O-N 3.09Å
45	L	71.8	Confident	85.9	Confident	84 Å²	84	83.3 Å²	83.3	44%	0.44	38%	0.375	S	S	.	.	H	α-helix	trans	-59.9	-37.9	177	-69.2	174.4	0	0	0	112.4	E41 Q47 R48	E41-L45 HydrophobicContact CG-CD1 4.21Å; E41-L45 HydrophobicContact CG-CG 4.37Å; E41-L45 WeakPolarHBondContact O-CB 3.3Å; E41-L45 VanDerWaalsContact O-CG 3.3Å; E41-L45 WeakPolarHBondContact O-CG 3.47Å; E41-L45 PolarHBondContact O-N 3Å; L45-Q47 PolarHBondContact O-N 3.37Å; L45-R48 PolarHBondContact O-N 2.89Å
46	R	71.2	Confident	86.1	Confident	213 Å²	213	77.5 Å²	77.5	80%	0.804	35%	0.349	S	S	*	.	H	α-helix	trans	-64.4	-25.4	174.3	-78	175.9	178.7	-166.8	-2	113.7	K42 S43 R44	K42-R46 WeakPolarHBondContact O-CB 3.3Å; K42-R46 VanDerWaalsContact O-CG 3.3Å; K42-R46 WeakPolarHBondContact O-CG 3.49Å; K42-R46 PolarHBondContact O-N 3.42Å; S43-R46 PolarHBondContact O-N 2.87Å; R44-R46 VanDerWaalsContact C-N 3.31Å; R44-R46 PolarHBondContact O-N 3.37Å
47	Q	73.2	Confident	86.1	Confident	116 Å²	116	70.4 Å²	70.4	54%	0.542	32%	0.324	S	S	.	.	H	α-helix	trans	-90.3	-18.6	177.8	-70.4	-179.6	-25.4	0	0	112.8	S43 R44 L45 Q49	S43-Q47 PolarHBondContact O-N 2.97Å; R44-Q47 PolarHBondContact O-N 3.39Å; L45-Q47 PolarHBondContact O-N 3.37Å; Q47-Q49 PolarHBondContact O-N 2.57Å; Q47-Q49 PolarHBondContact O-NE2 3.25Å
48	R	83.2	Confident	86.2	Confident	52 Å²	52	66.6 Å²	66.6	20%	0.196	31%	0.306	C	S	.	.			trans	-65.5	130.3	176.4	-70.9	178.3	82.2	-168.7	-3.9	110.1	R44 L45 S230 V232	R44-R48 PolarHBondContact O-N 3.15Å; R44-R48 VanDerWaalsContact O-N 3.09Å; L45-R48 PolarHBondContact O-N 2.89Å; R48-S230 WeakPolarHBondContact CA-O 3.46Å; R48-V232 HydrophobicContact CB-CG2 4.31Å; R48-V232 HydrophobicContact CG-CG2 4.39Å
49	Q	86.3	Confident	86.6	Confident	22 Å²	22	62.1 Å²	62.1	10%	0.103	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	111.5	175.5	-56.1	-54	-34.5	0	0	109.5	Q47 S230 L231 V232 T254 N433	Q47-Q49 PolarHBondContact O-N 2.57Å; Q47-Q49 PolarHBondContact O-NE2 3.25Å; Q49-S230 PolarHBondContact N-O 3.29Å; Q49-L231 HydrophobicContact CB-CD2 3.6Å; Q49-L231 HydrophobicContact CG-CD2 3.99Å; Q49-V232 PolarHBondContact O-N 3.31Å; Q49-T254 PolarHBondContact OE1-OG1 2.8Å; Q49-N433 PolarHBondContact NE2-ND2 3.09Å; Q49-N433 VanDerWaalsContact OE1-CG 3.23Å; Q49-N433 PolarHBondContact OE1-ND2 3.12Å; Q49-N433 PolarHBondContact OE1-OD1 3.29Å
50	M	90.4	Very high	86.9	Confident	30 Å²	30	54.8 Å²	54.8	15%	0.148	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	119.7	-178	-55.7	-64	-63	0	0	109.6	V232 I234 M253 T254 S255	M50-V232 HydrophobicContact CE-CB 4.05Å; M50-V232 HydrophobicContact CE-CG1 3.71Å; M50-V232 HydrophobicContact SD-CB 3.53Å; M50-V232 VanDerWaalsContact SD-CB 3.53Å; M50-V232 HydrophobicContact SD-CG1 3.82Å; M50-V232 HydrophobicContact SD-CG2 3.79Å; M50-I234 HydrophobicContact CE-CD1 3.66Å; M50-I234 HydrophobicContact CE-CG1 4.06Å; M50-M253 HydrophobicContact CB-CE 3.7Å; M50-M253 HydrophobicContact CB-SD 3.86Å; M50-M253 HydrophobicContact CE-CE 4.02Å; M50-M253 HydrophobicContact CG-CE 4.27Å; M50-T254 PolarHBondContact N-OG1 3.32Å; M50-T254 WeakPolarHBondContact O-CA 3.38Å; M50-T254 WeakPolarHBondContact O-CB 3.31Å; M50-T254 PolarHBondContact O-N 3.01Å; M50-S255 PolarHBondContact O-N 3.26Å; M50-S255 VanDerWaalsContact O-N 3.16Å
51	I	93.4	Very high	87.5	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	112.6	-180	-56.5	177.8	0	0	0	108.8	L53 L231 V232 F233 I234 S255 L257 M425	I51-L53 HydrophobicContact CG2-CD2 4.48Å; I51-L231 HydrophobicContact CD1-CD1 4.38Å; I51-V232 PolarHBondContact N-O 3.05Å; I51-F233 HydrophobicContact CB-CD1 3.94Å; I51-F233 HydrophobicContact CB-CE1 4.07Å; I51-F233 HydrophobicContact CD1-CD1 4.48Å; I51-F233 HydrophobicContact CD1-CE1 3.82Å; I51-F233 HydrophobicContact CD1-CZ 4.02Å; I51-F233 HydrophobicContact CG2-CD1 3.99Å; I51-F233 HydrophobicContact CG2-CE1 3.95Å; I51-F233 WeakPolarHBondContact O-CA 3.49Å; I51-I234 PolarHBondContact O-N 3.07Å; I51-S255 WeakPolarHBondContact CA-O 3.4Å; I51-L257 HydrophobicContact CG2-CB 3.9Å; I51-M425 HydrophobicContact CD1-CE 3.77Å
52	L	95.9	Very high	88.2	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	119.6	177.3	-174.6	58.5	0	0	0	110.6	L54 I234 V236 C249 F250 M253 S255 V256 L257 F297	L52-L54 HydrophobicContact CD1-CD2 4.34Å; L52-L54 HydrophobicContact CD2-CD1 3.98Å; L52-L54 HydrophobicContact CD2-CD2 3.93Å; L52-L54 HydrophobicContact CD2-CG 4.04Å; L52-L54 HydrophobicContact CG-CD1 4.31Å; L52-L54 HydrophobicContact CG-CD2 3.84Å; L52-L54 HydrophobicContact CG-CG 3.86Å; L52-I234 HydrophobicContact CD1-CB 3.82Å; L52-I234 HydrophobicContact CD1-CG2 3.78Å; L52-V236 HydrophobicContact CD1-CG1 4.15Å; L52-C249 HydrophobicContact CD1-CB 3.63Å; L52-C249 HydrophobicContact CD2-CB 4.32Å; L52-F250 HydrophobicContact CD2-CD1 3.79Å; L52-F250 HydrophobicContact CD2-CE1 3.94Å; L52-M253 HydrophobicContact CB-CG 4.13Å; L52-M253 HydrophobicContact CB-SD 3.71Å; L52-M253 HydrophobicContact CD2-CG 4.39Å; L52-S255 PolarHBondContact N-O 3.2Å; L52-V256 HydrophobicContact CB-CG2 4.46Å; L52-L257 PolarHBondContact O-N 3.38Å; L52-F297 HydrophobicContact CD2-CE1 4.27Å; L52-F297 HydrophobicContact CD2-CZ 4.14Å
53	L	97	Very high	89	Confident	0 Å²	0	40 Å²	40	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	110.5	175.1	-57.9	-176.2	0	0	0	109.9	I51 K61 F64 L65 F233 I234 D235 V236 L257 L259	I51-L53 HydrophobicContact CG2-CD2 4.48Å; L53-K61 HydrophobicContact CB-CB 4.3Å; L53-K61 HydrophobicContact CB-CD 4.18Å; L53-K61 HydrophobicContact CB-CG 4.18Å; L53-K61 WeakPolarHBondContact O-CD 3.34Å; L53-F64 HydrophobicContact CD1-CD1 4.27Å; L53-F64 HydrophobicContact CD2-CD1 4.11Å; L53-F64 HydrophobicContact CD2-CE1 4.13Å; L53-L65 HydrophobicContact CD1-CB 4.27Å; L53-F233 HydrophobicContact CD1-CD1 4.48Å; L53-F233 HydrophobicContact CD2-CD1 3.92Å; L53-F233 HydrophobicContact CD2-CE1 4.47Å; L53-F233 HydrophobicContact CG-CD1 4.31Å; L53-I234 WeakPolarHBondContact CB-O 3.35Å; L53-I234 PolarHBondContact N-O 3.25Å; L53-D235 HydrophobicContact CD1-CB 4.19Å; L53-V236 WeakPolarHBondContact O-CG2 2.96Å; L53-L257 WeakPolarHBondContact CA-O 3.47Å; L53-L257 HydrophobicContact CD2-CB 3.93Å; L53-L257 HydrophobicContact CD2-CD2 3.62Å; L53-L257 HydrophobicContact CD2-CG 4.03Å; L53-L259 HydrophobicContact CD2-CD1 4.27Å
54	L	97.2	Very high	89.9	Confident	0 Å²	0	37 Å²	37	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	165.4	178.2	-63.5	179.3	0	0	0	111.7	L52 V236 W246 V256 L257 F258 L259 L291 F297	L52-L54 HydrophobicContact CD1-CD2 4.34Å; L52-L54 HydrophobicContact CD2-CD1 3.98Å; L52-L54 HydrophobicContact CD2-CD2 3.93Å; L52-L54 HydrophobicContact CD2-CG 4.04Å; L52-L54 HydrophobicContact CG-CD1 4.31Å; L52-L54 HydrophobicContact CG-CD2 3.84Å; L52-L54 HydrophobicContact CG-CG 3.86Å; L54-V236 HydrophobicContact CD2-CG2 3.79Å; L54-W246 HydrophobicContact CD2-CD2 4.29Å; L54-W246 HydrophobicContact CD2-CG 4.43Å; L54-V256 HydrophobicContact CB-CG1 4.41Å; L54-V256 HydrophobicContact CD1-CG1 3.7Å; L54-V256 HydrophobicContact CD1-CG2 4.38Å; L54-V256 HydrophobicContact CG-CG1 4.2Å; L54-L257 PolarHBondContact N-O 3.17Å; L54-F258 HydrophobicContact CB-CD2 3.64Å; L54-F258 HydrophobicContact CB-CE2 4.16Å; L54-F258 HydrophobicContact CB-CG 4.48Å; L54-L259 PolarHBondContact O-N 3.37Å; L54-L291 HydrophobicContact CB-CD1 4.35Å; L54-L291 HydrophobicContact CD1-CD1 3.8Å; L54-L291 HydrophobicContact CG-CD1 4.45Å; L54-F297 HydrophobicContact CD1-CE2 4.15Å; L54-F297 HydrophobicContact CD1-CZ 3.99Å
55	G	97	Very high	90.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.153	C	C	.	.			trans	138.7	164.1	178.7	0	0	0	0	0	112	K61 G238 L259	G55-K61 PolarHBondContact O-NZ 3.22Å; G55-G238 WeakPolarHBondContact O-CA 3.46Å; G55-L259 WeakPolarHBondContact CA-O 3.33Å
56	T	95.3	Very high	91.9	Very high	8 Å²	8	29.4 Å²	29.4	5%	0.049	14%	0.139	C	C	.	.	S	Bend	trans	-63.1	172.1	178.6	50	0	0	0	0	112.6	E58 S59 K61 G238 E283 A284 V287	T56-E58 PolarHBondContact O-N 3.14Å; T56-S59 PolarHBondContact O-N 2.96Å; T56-S59 PolarHBondContact O-OG 3.45Å; T56-K61 PolarHBondContact O-NZ 2.69Å; T56-G238 CarbonylContact C-O 3.42Å; T56-E283 HydrophobicContact CG2-CG 3.94Å; T56-A284 HydrophobicContact CG2-CB 3.96Å; T56-V287 HydrophobicContact CG2-CB 4.23Å; T56-V287 HydrophobicContact CG2-CG1 4.48Å; T56-V287 HydrophobicContact CG2-CG2 4Å
57	G	92.3	Very high	93.1	Very high	20 Å²	20	19.7 Å²	19.7	21%	0.206	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	141.9	170.3	0	0	0	0	0	110.3	S59 G238	G57-S59 PolarHBondContact O-N 3.29Å; G57-G238 VanDerWaalsContact N-C 3.32Å; G57-G238 PolarHBondContact N-O 3.01Å
58	E	92.7	Very high	93.9	Very high	43 Å²	43	14.1 Å²	14.1	20%	0.201	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	13.3	172.3	-51.5	175.5	160.4	0	0	115.5	T56 G60 K280 K308	T56-E58 PolarHBondContact O-N 3.14Å; E58-G60 PolarHBondContact O-N 3.45Å; E58-K280 IonicContact OE2-NZ 3.89Å; E58-K280 PolarHBondContact OE2-NZ 3.11Å; E58-K308 WeakPolarHBondContact O-CE 3.24Å; E58-K308 PolarHBondContact O-NZ 3.11Å
59	S	96.1	Very high	94.4	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.075	C	C	.	.	S	Bend	trans	-69.4	-13.5	173.7	69.1	0	0	0	0	114.2	T56 G57 K61 L259 N307	T56-S59 PolarHBondContact O-N 2.96Å; T56-S59 PolarHBondContact O-OG 3.45Å; G57-S59 PolarHBondContact O-N 3.29Å; S59-K61 PolarHBondContact OG-NZ 2.98Å; S59-L259 WeakPolarHBondContact CB-O 3.48Å; S59-L259 PolarHBondContact OG-O 3.36Å; S59-N307 PolarHBondContact O-ND2 3Å
60	G	95.7	Very high	94.7	Very high	10 Å²	10	12.9 Å²	12.9	10%	0.103	7%	0.073	C	C	.	.	S	Bend	trans	98.5	17.4	177.3	0	0	0	0	0	115.9	E58 T63 F64	E58-G60 PolarHBondContact O-N 3.45Å; G60-T63 WeakPolarHBondContact O-CB 3.22Å; G60-T63 PolarHBondContact O-N 2.83Å; G60-F64 PolarHBondContact O-N 3Å
61	K	96.3	Very high	94.8	Very high	10 Å²	10	12.8 Å²	12.8	4%	0.043	7%	0.073	C	C	.	.	H	α-helix	trans	-53.3	-56.7	177.5	-66.9	177.5	-70.4	-64.9	0	112.9	L53 G55 T56 S59 T63 F64 L65 D235 V236 L259	L53-K61 HydrophobicContact CB-CB 4.3Å; L53-K61 HydrophobicContact CB-CD 4.18Å; L53-K61 HydrophobicContact CB-CG 4.18Å; L53-K61 WeakPolarHBondContact O-CD 3.34Å; G55-K61 PolarHBondContact O-NZ 3.22Å; T56-K61 PolarHBondContact O-NZ 2.69Å; S59-K61 PolarHBondContact OG-NZ 2.98Å; K61-T63 VanDerWaalsContact C-N 3.29Å; K61-T63 PolarHBondContact O-N 2.88Å; K61-F64 WeakPolarHBondContact O-CB 3.3Å; K61-F64 PolarHBondContact O-N 3.2Å; K61-L65 PolarHBondContact O-N 2.88Å; K61-D235 VanDerWaalsContact CB-OD1 3.24Å; K61-D235 WeakPolarHBondContact CB-OD1 3.49Å; K61-V236 WeakPolarHBondContact CE-O 3.38Å; K61-L259 HydrophobicContact CG-CB 4.33Å; K61-L259 HydrophobicContact CG-CD1 3.9Å
62	S	96	Very high	94.5	Very high	24 Å²	24	15.2 Å²	15.2	17%	0.168	9%	0.086	C	C	.	.	H	α-helix	trans	-68.6	-29.7	-178.5	-40.2	0	0	0	0	112.1	L65 K66 T216 D235	S62-L65 PolarHBondContact O-N 2.97Å; S62-K66 VanDerWaalsContact O-CG 3.28Å; S62-K66 WeakPolarHBondContact O-CG 2.99Å; S62-K66 PolarHBondContact O-N 3.27Å; S62-T216 PolarHBondContact OG-OG1 2.67Å; S62-D235 WeakPolarHBondContact CB-OD2 3.46Å; S62-D235 PolarHBondContact OG-OD2 3.35Å
63	T	96.4	Very high	94.1	Very high	28 Å²	28	17.4 Å²	17.4	17%	0.172	11%	0.108	C	C	.	.	H	α-helix	trans	-63.2	-49.3	172.1	-56.1	0	0	0	0	110.7	G60 K61 L65 K66 Q67 V210 A412 V413	G60-T63 WeakPolarHBondContact O-CB 3.22Å; G60-T63 PolarHBondContact O-N 2.83Å; K61-T63 VanDerWaalsContact C-N 3.29Å; K61-T63 PolarHBondContact O-N 2.88Å; T63-L65 VanDerWaalsContact C-N 3.29Å; T63-L65 PolarHBondContact O-N 3.29Å; T63-K66 PolarHBondContact O-N 2.64Å; T63-Q67 WeakPolarHBondContact O-CB 3.35Å; T63-Q67 PolarHBondContact O-N 2.68Å; T63-V210 HydrophobicContact CG2-CG1 3.59Å; T63-V210 WeakPolarHBondContact CG2-O 3.43Å; T63-A412 HydrophobicContact CG2-CB 3.66Å; T63-V413 HydrophobicContact CG2-CG1 4.01Å
64	F	96.1	Very high	93.6	Very high	1 Å²	1	21.2 Å²	21.2	0%	0.004	13%	0.125	C	C	.	.	H	α-helix	trans	-56.1	-45.1	173.2	169.7	-99.5	0	0	0	111.1	L53 G60 K61 K66 Q67 M68 F233 L257 L259 F305 I418	L53-F64 HydrophobicContact CD1-CD1 4.27Å; L53-F64 HydrophobicContact CD2-CD1 4.11Å; L53-F64 HydrophobicContact CD2-CE1 4.13Å; G60-F64 PolarHBondContact O-N 3Å; K61-F64 WeakPolarHBondContact O-CB 3.3Å; K61-F64 PolarHBondContact O-N 3.2Å; F64-K66 PolarHBondContact O-N 2.65Å; F64-Q67 WeakPolarHBondContact O-CB 3.18Å; F64-Q67 PolarHBondContact O-N 2.85Å; F64-M68 HydrophobicContact CD1-CG 4.27Å; F64-M68 HydrophobicContact CD2-CG 4.23Å; F64-M68 HydrophobicContact CE1-CG 3.81Å; F64-M68 HydrophobicContact CE2-CG 3.76Å; F64-M68 HydrophobicContact CE2-SD 3.98Å; F64-M68 HydrophobicContact CG-CG 4.47Å; F64-M68 HydrophobicContact CZ-CG 3.54Å; F64-M68 HydrophobicContact CZ-SD 3.97Å; F64-M68 WeakPolarHBondContact O-CB 3.42Å; F64-M68 VanDerWaalsContact O-CG 3.3Å; F64-M68 WeakPolarHBondContact O-CG 3.28Å; F64-M68 PolarHBondContact O-N 2.85Å; F64-F233 HydrophobicContact CE1-CD1 4.14Å; F64-F233 AromaticContact CE1-CE1 3.66Å; F64-F233 HydrophobicContact CE1-CE1 3.66Å; F64-F233 HydrophobicContact CE1-CZ 4.23Å; F64-F233 HydrophobicContact CZ-CE1 4.17Å; F64-F233 HydrophobicContact CZ-CZ 4.43Å; F64-L257 HydrophobicContact CD1-CD2 4.18Å; F64-L257 HydrophobicContact CE1-CD2 3.67Å; F64-L257 HydrophobicContact CZ-CD2 3.9Å; F64-L259 HydrophobicContact CB-CD2 4.07Å; F64-F305 HydrophobicContact CD2-CD2 4.47Å; F64-F305 AromaticContact CD2-CE2 3.95Å; F64-F305 HydrophobicContact CD2-CE2 3.95Å; F64-F305 AromaticContact CE2-CE2 3.63Å; F64-F305 HydrophobicContact CE2-CE2 3.63Å; F64-F305 HydrophobicContact CE2-CZ 4.43Å; F64-F305 HydrophobicContact CZ-CE2 4.11Å; F64-I418 HydrophobicContact CD2-CD1 4.03Å; F64-I418 HydrophobicContact CD2-CG2 4Å; F64-I418 HydrophobicContact CE2-CD1 4.49Å; F64-I418 HydrophobicContact CE2-CG2 3.88Å
65	L	94.6	Very high	93.2	Very high	8 Å²	8	29.5 Å²	29.5	4%	0.042	16%	0.163	C	C	.	.	H	α-helix	trans	-64.3	-41.1	179.4	-170.8	58.4	0	0	0	112.9	L53 K61 S62 T63 M68 K69 E222 I224 F233 D235	L53-L65 HydrophobicContact CD1-CB 4.27Å; K61-L65 PolarHBondContact O-N 2.88Å; S62-L65 PolarHBondContact O-N 2.97Å; T63-L65 VanDerWaalsContact C-N 3.29Å; T63-L65 PolarHBondContact O-N 3.29Å; L65-M68 PolarHBondContact O-N 2.83Å; L65-K69 WeakPolarHBondContact O-CG 3.32Å; L65-K69 PolarHBondContact O-N 3.28Å; L65-E222 HydrophobicContact CD1-CB 3.92Å; L65-E222 HydrophobicContact CD1-CG 3.99Å; L65-E222 HydrophobicContact CD2-CB 3.91Å; L65-E222 HydrophobicContact CD2-CG 4.44Å; L65-E222 HydrophobicContact CG-CB 4.31Å; L65-E222 HydrophobicContact CG-CG 4.39Å; L65-I224 HydrophobicContact CD1-CD1 4.29Å; L65-F233 HydrophobicContact CD1-CB 3.62Å; L65-F233 HydrophobicContact CD1-CD2 4.15Å; L65-F233 HydrophobicContact CD1-CG 3.93Å; L65-D235 HydrophobicContact CD2-CB 3.93Å
66	K	94.8	Very high	92.9	Very high	33 Å²	33	30.7 Å²	30.7	14%	0.143	17%	0.168	C	C	.	.	H	α-helix	trans	-60.7	-46.1	173.1	-71.8	171.6	-172.8	-178.3	0	111.5	S62 T63 F64 M68 K69 I70 I209 V210 S212	S62-K66 VanDerWaalsContact O-CG 3.28Å; S62-K66 WeakPolarHBondContact O-CG 2.99Å; S62-K66 PolarHBondContact O-N 3.27Å; T63-K66 PolarHBondContact O-N 2.64Å; F64-K66 PolarHBondContact O-N 2.65Å; K66-M68 VanDerWaalsContact C-N 3.27Å; K66-M68 PolarHBondContact O-N 2.76Å; K66-K69 WeakPolarHBondContact O-CB 3.46Å; K66-K69 PolarHBondContact O-N 3.45Å; K66-K69 VanDerWaalsContact O-N 3.15Å; K66-I70 WeakPolarHBondContact O-CG1 3.13Å; K66-I70 PolarHBondContact O-N 2.91Å; K66-I209 HydrophobicContact CD-CG2 4.36Å; K66-I209 WeakPolarHBondContact CD-O 3.48Å; K66-I209 PolarHBondContact NZ-O 2.97Å; K66-V210 HydrophobicContact CB-CG2 4.47Å; K66-S212 PolarHBondContact NZ-O 3.03Å; K66-S212 PolarHBondContact NZ-OG 2.99Å
67	Q	94.8	Very high	92.9	Very high	8 Å²	8	34 Å²	34	4%	0.037	19%	0.188	C	C	.	.	H	α-helix	trans	-59.4	-41.8	177.6	-167.3	61.2	60.8	0	0	110.9	T63 F64 I70 I71 R415 I418	T63-Q67 WeakPolarHBondContact O-CB 3.35Å; T63-Q67 PolarHBondContact O-N 2.68Å; F64-Q67 WeakPolarHBondContact O-CB 3.18Å; F64-Q67 PolarHBondContact O-N 2.85Å; Q67-I70 PolarHBondContact O-N 3.08Å; Q67-I71 HydrophobicContact CG-CD1 3.81Å; Q67-I71 HydrophobicContact CG-CG1 4.5Å; Q67-I71 WeakPolarHBondContact O-CB 3.42Å; Q67-I71 WeakPolarHBondContact O-CD1 3.43Å; Q67-I71 WeakPolarHBondContact O-CG1 3.45Å; Q67-I71 PolarHBondContact O-N 3.22Å; Q67-R415 VanDerWaalsContact NE2-CB 3.34Å; Q67-I418 HydrophobicContact CB-CG2 4.38Å; Q67-I418 HydrophobicContact CG-CB 3.86Å; Q67-I418 HydrophobicContact CG-CG1 3.97Å; Q67-I418 HydrophobicContact CG-CG2 3.89Å
68	M	91.7	Very high	93	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-64.7	-37.7	175.7	-74.5	-53.6	-53.2	0	0	113.4	F64 L65 K66 I71 N72 I224 I418 F422	F64-M68 HydrophobicContact CD1-CG 4.27Å; F64-M68 HydrophobicContact CD2-CG 4.23Å; F64-M68 HydrophobicContact CE1-CG 3.81Å; F64-M68 HydrophobicContact CE2-CG 3.76Å; F64-M68 HydrophobicContact CE2-SD 3.98Å; F64-M68 HydrophobicContact CG-CG 4.47Å; F64-M68 HydrophobicContact CZ-CG 3.54Å; F64-M68 HydrophobicContact CZ-SD 3.97Å; F64-M68 WeakPolarHBondContact O-CB 3.42Å; F64-M68 VanDerWaalsContact O-CG 3.3Å; F64-M68 WeakPolarHBondContact O-CG 3.28Å; F64-M68 PolarHBondContact O-N 2.85Å; L65-M68 PolarHBondContact O-N 2.83Å; K66-M68 VanDerWaalsContact C-N 3.27Å; K66-M68 PolarHBondContact O-N 2.76Å; M68-I71 HydrophobicContact SD-CD1 4.41Å; M68-N72 VanDerWaalsContact CE-ND2 3.29Å; M68-N72 WeakPolarHBondContact CE-ND2 3.49Å; M68-N72 PolarHBondContact O-N 2.94Å; M68-N72 PolarHBondContact O-ND2 3.44Å; M68-I224 HydrophobicContact CB-CD1 3.54Å; M68-I418 HydrophobicContact CG-CG2 4.49Å; M68-I418 HydrophobicContact SD-CG2 3.8Å; M68-F422 HydrophobicContact CE-CB 4.39Å; M68-F422 HydrophobicContact CE-CD1 3.63Å; M68-F422 HydrophobicContact CE-CD2 3.36Å; M68-F422 HydrophobicContact CE-CE1 3.54Å; M68-F422 HydrophobicContact CE-CE2 3.32Å; M68-F422 HydrophobicContact CE-CG 3.51Å; M68-F422 HydrophobicContact CE-CZ 3.37Å; M68-F422 HydrophobicContact SD-CB 4.01Å; M68-F422 HydrophobicContact SD-CD1 4.31Å; M68-F422 HydrophobicContact SD-CD2 3.7Å; M68-F422 HydrophobicContact SD-CE2 4.25Å; M68-F422 HydrophobicContact SD-CG 3.73Å
69	K	92.4	Very high	93.1	Very high	36 Å²	36	43.4 Å²	43.4	16%	0.157	23%	0.231	C	C	.	.	H	α-helix	trans	-59.5	-50	172.1	-71.2	-179.9	178.3	-151.9	0	111	L65 K66 N72 G73 K74 F76 E222	L65-K69 WeakPolarHBondContact O-CG 3.32Å; L65-K69 PolarHBondContact O-N 3.28Å; K66-K69 WeakPolarHBondContact O-CB 3.46Å; K66-K69 PolarHBondContact O-N 3.45Å; K66-K69 VanDerWaalsContact O-N 3.15Å; K69-N72 PolarHBondContact O-N 3.43Å; K69-G73 PolarHBondContact O-N 3.4Å; K69-K74 HydrophobicContact CB-CB 4.09Å; K69-K74 HydrophobicContact CG-CD 4.34Å; K69-K74 WeakPolarHBondContact O-CB 3.14Å; K69-K74 PolarHBondContact O-N 2.88Å; K69-F76 HydrophobicContact CD-CE1 4.2Å; K69-F76 HydrophobicContact CD-CZ 4.4Å; K69-E222 VanDerWaalsContact CE-CG 3.5Å; K69-E222 WeakPolarHBondContact CE-OE1 3.07Å; K69-E222 WeakPolarHBondContact CE-OE2 3.4Å; K69-E222 HydrophobicContact CG-CG 4.36Å; K69-E222 VanDerWaalsContact NZ-CD 3.29Å; K69-E222 IonicContact NZ-OE1 3.68Å; K69-E222 IonicContact NZ-OE2 2.8Å; K69-E222 PolarHBondContact NZ-OE2 3.28Å
70	I	92.9	Very high	93	Very high	11 Å²	11	46.6 Å²	46.6	6%	0.056	25%	0.246	C	C	.	.	H	α-helix	trans	-63.2	-46.6	-177.9	-68.5	159.7	0	0	0	111.3	K66 Q67 N72 G73 F76 D206 V210	K66-I70 WeakPolarHBondContact O-CG1 3.13Å; K66-I70 PolarHBondContact O-N 2.91Å; Q67-I70 PolarHBondContact O-N 3.08Å; I70-N72 VanDerWaalsContact C-N 3.26Å; I70-N72 PolarHBondContact O-N 3.27Å; I70-G73 PolarHBondContact O-N 2.89Å; I70-G73 VanDerWaalsContact O-N 3.15Å; I70-F76 HydrophobicContact CD1-CE2 4.1Å; I70-F76 HydrophobicContact CG1-CE2 3.75Å; I70-F76 HydrophobicContact CG1-CZ 4.3Å; I70-D206 HydrophobicContact CD1-CB 4.02Å; I70-D206 HydrophobicContact CG1-CB 4.45Å; I70-D206 HydrophobicContact CG2-CB 4.18Å; I70-D206 WeakPolarHBondContact CG2-OD2 3.38Å; I70-V210 HydrophobicContact CD1-CG2 3.37Å
71	I	91.6	Very high	93	Very high	28 Å²	28	46.3 Å²	46.3	14%	0.144	24%	0.242	C	C	.	.	H	α-helix	trans	-57.2	-40.7	179.1	-73.3	164.1	0	0	0	111.3	Q67 M68 G73 R415 I418 E419	Q67-I71 HydrophobicContact CG-CD1 3.81Å; Q67-I71 HydrophobicContact CG-CG1 4.5Å; Q67-I71 WeakPolarHBondContact O-CB 3.42Å; Q67-I71 WeakPolarHBondContact O-CD1 3.43Å; Q67-I71 WeakPolarHBondContact O-CG1 3.45Å; Q67-I71 PolarHBondContact O-N 3.22Å; M68-I71 HydrophobicContact SD-CD1 4.41Å; I71-G73 VanDerWaalsContact C-N 3.28Å; I71-G73 PolarHBondContact O-N 2.84Å; I71-R415 HydrophobicContact CD1-CG 4.39Å; I71-R415 HydrophobicContact CG1-CG 3.92Å; I71-I418 HydrophobicContact CD1-CB 4.09Å; I71-I418 HydrophobicContact CD1-CG2 3.67Å; I71-E419 HydrophobicContact CB-CG 4.28Å; I71-E419 HydrophobicContact CD1-CG 3.54Å; I71-E419 HydrophobicContact CG1-CG 3.67Å; I71-E419 HydrophobicContact CG2-CG 3.59Å
72	N	88.3	Confident	93	Very high	52 Å²	52	50.9 Å²	50.9	28%	0.278	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	18.9	-177.2	-63.8	-66.1	0	0	0	113.6	M68 K69 I70 K74 I224 V226	M68-N72 VanDerWaalsContact CE-ND2 3.29Å; M68-N72 WeakPolarHBondContact CE-ND2 3.49Å; M68-N72 PolarHBondContact O-N 2.94Å; M68-N72 PolarHBondContact O-ND2 3.44Å; K69-N72 PolarHBondContact O-N 3.43Å; I70-N72 VanDerWaalsContact C-N 3.26Å; I70-N72 PolarHBondContact O-N 3.27Å; N72-K74 VanDerWaalsContact C-N 3.29Å; N72-K74 PolarHBondContact O-N 2.81Å; N72-I224 HydrophobicContact CB-CG2 3.78Å; N72-I224 VanDerWaalsContact CG-CG2 3.49Å; N72-I224 WeakPolarHBondContact ND2-CG2 3.14Å; N72-V226 WeakPolarHBondContact OD1-CG2 3.38Å
73	G	87.2	Confident	93	Very high	45 Å²	45	54.8 Å²	54.8	46%	0.464	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.5	19	172.6	0	0	0	0	0	114.7	K69 I70 I71 H75	K69-G73 PolarHBondContact O-N 3.4Å; I70-G73 PolarHBondContact O-N 2.89Å; I70-G73 VanDerWaalsContact O-N 3.15Å; I71-G73 VanDerWaalsContact C-N 3.28Å; I71-G73 PolarHBondContact O-N 2.84Å; G73-H75 PolarHBondContact O-N 3.16Å
74	K	87	Confident	93	Very high	80 Å²	80	54.3 Å²	54.3	35%	0.348	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-75	119.5	169.9	-68.9	-162.2	174.9	-161.6	0	109.4	K69 N72 E222 E223	K69-K74 HydrophobicContact CB-CB 4.09Å; K69-K74 HydrophobicContact CG-CD 4.34Å; K69-K74 WeakPolarHBondContact O-CB 3.14Å; K69-K74 PolarHBondContact O-N 2.88Å; N72-K74 VanDerWaalsContact C-N 3.29Å; N72-K74 PolarHBondContact O-N 2.81Å; K74-E222 IonicContact NZ-OE1 3.44Å; K74-E222 PolarHBondContact NZ-OE1 2.96Å; K74-E223 WeakPolarHBondContact CE-O 3.39Å; K74-E223 PolarHBondContact NZ-O 2.87Å
75	H	88.1	Confident	93.1	Very high	174 Å²	174	54.7 Å²	54.7	81%	0.806	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-89	136.9	175.6	-59.9	-62.2	0	0	0	110.8	G73	G73-H75 PolarHBondContact O-N 3.16Å
76	F	90.9	Very high	93.2	Very high	26 Å²	26	55.6 Å²	55.6	11%	0.114	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-73.8	133.8	169.3	-59.5	-82.9	0	0	0	109.5	K69 I70 E80 I81 L84 I209	K69-F76 HydrophobicContact CD-CE1 4.2Å; K69-F76 HydrophobicContact CD-CZ 4.4Å; I70-F76 HydrophobicContact CD1-CE2 4.1Å; I70-F76 HydrophobicContact CG1-CE2 3.75Å; I70-F76 HydrophobicContact CG1-CZ 4.3Å; F76-E80 WeakPolarHBondContact CA-OE2 3.32Å; F76-E80 HydrophobicContact CB-CB 4.15Å; F76-E80 HydrophobicContact CD1-CB 4.43Å; F76-I81 HydrophobicContact CB-CD1 4.04Å; F76-I81 HydrophobicContact CB-CG1 4.13Å; F76-L84 HydrophobicContact CD1-CD1 4.07Å; F76-L84 HydrophobicContact CE1-CD1 4.39Å; F76-L84 HydrophobicContact CG-CD1 4.35Å; F76-I209 HydrophobicContact CD2-CD1 3.76Å; F76-I209 HydrophobicContact CD2-CG2 4.46Å; F76-I209 HydrophobicContact CE1-CG2 4.33Å; F76-I209 HydrophobicContact CE2-CD1 4.04Å; F76-I209 HydrophobicContact CE2-CG2 3.81Å; F76-I209 HydrophobicContact CG-CD1 4.38Å; F76-I209 HydrophobicContact CZ-CG2 3.74Å
77	T	94.4	Very high	93.3	Very high	76 Å²	76	55.2 Å²	55.2	47%	0.466	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-64.6	158	172.9	61.7	0	0	0	0	110.7	Q79 E80 I81	T77-Q79 PolarHBondContact O-N 3.12Å; T77-E80 PolarHBondContact N-OE2 2.85Å; T77-E80 PolarHBondContact O-N 3.29Å; T77-E80 VanDerWaalsContact OG1-CG 3.3Å; T77-E80 WeakPolarHBondContact OG1-CG 3.25Å; T77-E80 PolarHBondContact OG1-N 2.68Å; T77-E80 PolarHBondContact OG1-OE2 3.12Å; T77-I81 VanDerWaalsContact O-CG1 3.31Å; T77-I81 WeakPolarHBondContact O-CG1 3.29Å; T77-I81 PolarHBondContact O-N 3.24Å
78	N	94.7	Very high	93.5	Very high	122 Å²	122	54.9 Å²	54.9	65%	0.652	28%	0.279	S	S	*	.	H	α-helix	trans	-56.6	-36.4	176.5	-70.6	-18.2	0	0	0	112	I81 E82	N78-I81 WeakPolarHBondContact O-CB 3.41Å; N78-I81 PolarHBondContact O-N 2.82Å; N78-E82 WeakPolarHBondContact O-CG 3.44Å; N78-E82 PolarHBondContact O-N 2.9Å
79	Q	94.8	Very high	93.8	Very high	139 Å²	139	55 Å²	55	65%	0.65	28%	0.28	S	S	*	.	H	α-helix	trans	-64	-40.9	175.8	-172.7	179.2	5.9	0	0	112.5	T77 E82 Q83	T77-Q79 PolarHBondContact O-N 3.12Å; Q79-E82 PolarHBondContact O-N 3.41Å; Q79-Q83 WeakPolarHBondContact O-CG 3.25Å; Q79-Q83 PolarHBondContact O-N 3.48Å; Q79-Q83 VanDerWaalsContact O-N 3.11Å
80	E	94.7	Very high	94	Very high	67 Å²	67	54.4 Å²	54.4	31%	0.313	28%	0.278	S	S	.	.	H	α-helix	trans	-67	-39	174.7	-72.9	168.1	123.5	0	0	111.6	F76 T77 Q83 L84	F76-E80 WeakPolarHBondContact CA-OE2 3.32Å; F76-E80 HydrophobicContact CB-CB 4.15Å; F76-E80 HydrophobicContact CD1-CB 4.43Å; T77-E80 PolarHBondContact N-OE2 2.85Å; T77-E80 PolarHBondContact O-N 3.29Å; T77-E80 VanDerWaalsContact OG1-CG 3.3Å; T77-E80 WeakPolarHBondContact OG1-CG 3.25Å; T77-E80 PolarHBondContact OG1-N 2.68Å; T77-E80 PolarHBondContact OG1-OE2 3.12Å; E80-Q83 PolarHBondContact O-N 3Å; E80-L84 WeakPolarHBondContact O-CB 3.19Å; E80-L84 WeakPolarHBondContact O-CD1 3.43Å; E80-L84 WeakPolarHBondContact O-CG 3.48Å; E80-L84 PolarHBondContact O-N 3.38Å
81	I	96.3	Very high	94.2	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.021	28%	0.279	C	S	.	.	H	α-helix	trans	-58.5	-47.3	175.3	-64.3	-83.1	0	0	0	110.3	F76 T77 N78 Q83 L84 K85 R203 P204 I209	F76-I81 HydrophobicContact CB-CD1 4.04Å; F76-I81 HydrophobicContact CB-CG1 4.13Å; T77-I81 VanDerWaalsContact O-CG1 3.31Å; T77-I81 WeakPolarHBondContact O-CG1 3.29Å; T77-I81 PolarHBondContact O-N 3.24Å; N78-I81 WeakPolarHBondContact O-CB 3.41Å; N78-I81 PolarHBondContact O-N 2.82Å; I81-Q83 PolarHBondContact O-N 2.82Å; I81-L84 PolarHBondContact O-N 2.96Å; I81-K85 PolarHBondContact O-N 2.86Å; I81-R203 HydrophobicContact CG2-CG 3.85Å; I81-P204 HydrophobicContact CG2-CG 4.5Å; I81-I209 HydrophobicContact CD1-CD1 3.94Å
82	E	95.6	Very high	94.5	Very high	106 Å²	106	53.2 Å²	53.2	50%	0.495	27%	0.273	S	S	.	.	H	α-helix	trans	-63.8	-40.3	177.8	-67.8	-47.9	130.3	0	0	112.4	N78 Q79 L84 K85 D86	N78-E82 WeakPolarHBondContact O-CG 3.44Å; N78-E82 PolarHBondContact O-N 2.9Å; Q79-E82 PolarHBondContact O-N 3.41Å; E82-L84 VanDerWaalsContact C-N 3.31Å; E82-L84 PolarHBondContact O-N 3.49Å; E82-K85 WeakPolarHBondContact O-CB 3.08Å; E82-K85 PolarHBondContact O-N 2.91Å; E82-D86 PolarHBondContact O-N 3.36Å; E82-D86 VanDerWaalsContact O-N 3.07Å
83	Q	95.7	Very high	95	Very high	106 Å²	106	51 Å²	51	50%	0.495	26%	0.26	S	S	.	.	H	α-helix	trans	-64.6	-36.9	174	-70.9	174.1	5.8	0	0	112.2	Q79 E80 I81 I87	Q79-Q83 WeakPolarHBondContact O-CG 3.25Å; Q79-Q83 PolarHBondContact O-N 3.48Å; Q79-Q83 VanDerWaalsContact O-N 3.11Å; E80-Q83 PolarHBondContact O-N 3Å; I81-Q83 PolarHBondContact O-N 2.82Å; Q83-I87 WeakPolarHBondContact O-CD1 3.17Å; Q83-I87 VanDerWaalsContact O-CG1 3.24Å; Q83-I87 WeakPolarHBondContact O-CG1 3.36Å; Q83-I87 PolarHBondContact O-N 3.21Å; Q83-I87 VanDerWaalsContact O-N 3.15Å
84	L	96.8	Very high	95.4	Very high	18 Å²	18	54 Å²	54	9%	0.094	26%	0.26	C	S	.	.	H	α-helix	trans	-69.8	-36.6	176.3	-73.3	160.6	0	0	0	111.3	F76 E80 I81 E82 I87 I88 I209	F76-L84 HydrophobicContact CD1-CD1 4.07Å; F76-L84 HydrophobicContact CE1-CD1 4.39Å; F76-L84 HydrophobicContact CG-CD1 4.35Å; E80-L84 WeakPolarHBondContact O-CB 3.19Å; E80-L84 WeakPolarHBondContact O-CD1 3.43Å; E80-L84 WeakPolarHBondContact O-CG 3.48Å; E80-L84 PolarHBondContact O-N 3.38Å; I81-L84 PolarHBondContact O-N 2.96Å; E82-L84 VanDerWaalsContact C-N 3.31Å; E82-L84 PolarHBondContact O-N 3.49Å; L84-I87 PolarHBondContact O-N 2.67Å; L84-I88 WeakPolarHBondContact O-CD1 3.44Å; L84-I88 WeakPolarHBondContact O-CG1 3.17Å; L84-I88 PolarHBondContact O-N 2.98Å; L84-I209 HydrophobicContact CD1-CB 4.49Å; L84-I209 HydrophobicContact CD1-CD1 4.07Å; L84-I209 HydrophobicContact CD1-CG1 3.96Å; L84-I209 HydrophobicContact CD1-CG2 3.82Å; L84-I209 HydrophobicContact CD2-CG2 4.25Å
85	K	97.8	Very high	95.9	Very high	10 Å²	10	50.3 Å²	50.3	4%	0.043	25%	0.246	C	C	.	.	H	α-helix	trans	-58.3	-50.5	172.5	-175.9	178.5	-179.1	170.1	0	111.1	I81 E82 I87 I88 Y89 E149 Y202 P204	I81-K85 PolarHBondContact O-N 2.86Å; E82-K85 WeakPolarHBondContact O-CB 3.08Å; E82-K85 PolarHBondContact O-N 2.91Å; K85-I87 VanDerWaalsContact C-N 3.3Å; K85-I87 PolarHBondContact O-N 3.41Å; K85-I88 PolarHBondContact O-N 3.47Å; K85-I88 VanDerWaalsContact O-N 3.1Å; K85-Y89 HydrophobicContact CD-CE2 4.35Å; K85-Y89 WeakPolarHBondContact CE-OH 3.48Å; K85-Y89 HydrophobicContact CG-CD2 4.42Å; K85-Y89 HydrophobicContact CG-CE1 4.38Å; K85-Y89 HydrophobicContact CG-CE2 3.9Å; K85-Y89 PolarHBondContact O-N 3.07Å; K85-E149 IonicContact NZ-OE1 3.44Å; K85-E149 PolarHBondContact NZ-OE1 3.11Å; K85-E149 IonicContact NZ-OE2 3.6Å; K85-E149 PolarHBondContact NZ-OE2 2.88Å; K85-Y202 HydrophobicContact CD-CD1 4.49Å; K85-Y202 WeakPolarHBondContact CD-O 3.4Å; K85-Y202 VanDerWaalsContact CE-O 3.27Å; K85-Y202 WeakPolarHBondContact CE-O 3.4Å; K85-Y202 HydrophobicContact CG-CD1 4.17Å; K85-Y202 HydrophobicContact CG-CE1 4.47Å; K85-Y202 PolarHBondContact NZ-O 3.16Å; K85-P204 HydrophobicContact CB-CG 3.91Å
86	D	97.2	Very high	96.3	Very high	27 Å²	27	42.1 Å²	42.1	14%	0.144	21%	0.208	C	C	.	.	H	α-helix	trans	-56.9	-41.5	175.5	-175.7	55	0	0	0	112.4	E82 D90 L146 W147	E82-D86 PolarHBondContact O-N 3.36Å; E82-D86 VanDerWaalsContact O-N 3.07Å; D86-D90 WeakPolarHBondContact O-CB 3.28Å; D86-D90 PolarHBondContact O-N 3.07Å; D86-D90 VanDerWaalsContact O-N 3.08Å; D86-L146 VanDerWaalsContact CG-N 3.32Å; D86-L146 WeakPolarHBondContact OD1-CA 3.34Å; D86-L146 WeakPolarHBondContact OD1-CB 3.47Å; D86-L146 PolarHBondContact OD1-N 3.1Å; D86-L146 PolarHBondContact OD2-N 3.34Å; D86-L146 VanDerWaalsContact OD2-N 3.11Å; D86-W147 PolarHBondContact OD1-N 2.89Å
87	I	96.9	Very high	96.6	Very high	25 Å²	25	42.5 Å²	42.5	13%	0.128	21%	0.211	C	C	.	.	H	α-helix	trans	-65.2	-41.4	175.8	-68.1	162.4	0	0	0	111.7	Q83 L84 K85 D90 N91 K214	Q83-I87 WeakPolarHBondContact O-CD1 3.17Å; Q83-I87 VanDerWaalsContact O-CG1 3.24Å; Q83-I87 WeakPolarHBondContact O-CG1 3.36Å; Q83-I87 PolarHBondContact O-N 3.21Å; Q83-I87 VanDerWaalsContact O-N 3.15Å; L84-I87 PolarHBondContact O-N 2.67Å; K85-I87 VanDerWaalsContact C-N 3.3Å; K85-I87 PolarHBondContact O-N 3.41Å; I87-D90 PolarHBondContact O-N 2.66Å; I87-N91 WeakPolarHBondContact O-CB 3.4Å; I87-N91 PolarHBondContact O-N 3.08Å; I87-N91 PolarHBondContact O-ND2 3.35Å; I87-K214 HydrophobicContact CD1-CB 4.12Å; I87-K214 HydrophobicContact CD1-CD 3.67Å; I87-K214 HydrophobicContact CG1-CD 4.21Å; I87-K214 HydrophobicContact CG2-CB 4.3Å
88	I	98.2	Very high	96.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.7	-45.6	179.8	-72	161.6	0	0	0	110.2	L84 K85 D90 N91 I92 Y190 I197 P204 D208	L84-I88 WeakPolarHBondContact O-CD1 3.44Å; L84-I88 WeakPolarHBondContact O-CG1 3.17Å; L84-I88 PolarHBondContact O-N 2.98Å; K85-I88 PolarHBondContact O-N 3.47Å; K85-I88 VanDerWaalsContact O-N 3.1Å; I88-D90 PolarHBondContact O-N 3Å; I88-N91 WeakPolarHBondContact O-CB 3.43Å; I88-N91 PolarHBondContact O-N 2.85Å; I88-I92 HydrophobicContact CG2-CD1 3.98Å; I88-I92 WeakPolarHBondContact O-CG1 3.31Å; I88-I92 PolarHBondContact O-N 3.3Å; I88-Y190 HydrophobicContact CG1-CE1 4.14Å; I88-Y190 HydrophobicContact CG2-CD1 4.04Å; I88-Y190 HydrophobicContact CG2-CE1 3.8Å; I88-I197 HydrophobicContact CG2-CG2 4.2Å; I88-P204 HydrophobicContact CD1-CB 3.73Å; I88-P204 HydrophobicContact CD1-CG 3.7Å; I88-D208 HydrophobicContact CD1-CB 3.97Å
89	Y	97.9	Very high	96.9	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.016	16%	0.16	C	C	.	.	H	α-helix	trans	-58.7	-46.5	175.3	-68.8	-12.3	0	0	0	112	K85 N91 I92 Y93 W147 F152 I197 Y202	K85-Y89 HydrophobicContact CD-CE2 4.35Å; K85-Y89 WeakPolarHBondContact CE-OH 3.48Å; K85-Y89 HydrophobicContact CG-CD2 4.42Å; K85-Y89 HydrophobicContact CG-CE1 4.38Å; K85-Y89 HydrophobicContact CG-CE2 3.9Å; K85-Y89 PolarHBondContact O-N 3.07Å; Y89-N91 VanDerWaalsContact C-N 3.33Å; Y89-N91 PolarHBondContact O-N 2.98Å; Y89-I92 PolarHBondContact O-N 3.36Å; Y89-Y93 WeakPolarHBondContact O-CB 3.16Å; Y89-Y93 PolarHBondContact O-N 2.7Å; Y89-W147 HydrophobicContact CD2-CB 3.91Å; Y89-W147 HydrophobicContact CD2-CG 4.27Å; Y89-F152 AromaticContact CD1-CD1 3.45Å; Y89-F152 HydrophobicContact CD1-CD1 3.45Å; Y89-F152 VanDerWaalsContact CD1-CD1 3.45Å; Y89-F152 AromaticContact CD1-CD2 3.85Å; Y89-F152 HydrophobicContact CD1-CD2 3.85Å; Y89-F152 AromaticContact CD1-CE1 3.4Å; Y89-F152 HydrophobicContact CD1-CE1 3.4Å; Y89-F152 AromaticContact CD1-CE2 3.8Å; Y89-F152 HydrophobicContact CD1-CE2 3.8Å; Y89-F152 AromaticContact CD1-CG 3.67Å; Y89-F152 HydrophobicContact CD1-CG 3.67Å; Y89-F152 AromaticContact CD1-CZ 3.58Å; Y89-F152 HydrophobicContact CD1-CZ 3.58Å; Y89-F152 HydrophobicContact CD2-CB 3.72Å; Y89-F152 HydrophobicContact CD2-CD1 4.08Å; Y89-F152 HydrophobicContact CD2-CD2 4.14Å; Y89-F152 AromaticContact CD2-CG 3.7Å; Y89-F152 HydrophobicContact CD2-CG 3.7Å; Y89-F152 AromaticContact CE1-CD1 3.33Å; Y89-F152 HydrophobicContact CE1-CD1 3.33Å; Y89-F152 AromaticContact CE1-CE1 3.4Å; Y89-F152 HydrophobicContact CE1-CE1 3.4Å; Y89-F152 VanDerWaalsContact CE1-CE1 3.4Å; Y89-F152 AromaticContact CE1-CG 3.95Å; Y89-F152 HydrophobicContact CE1-CG 3.95Å; Y89-F152 HydrophobicContact CE1-CZ 4.08Å; Y89-F152 HydrophobicContact CE2-CB 3.88Å; Y89-F152 AromaticContact CE2-CD1 3.99Å; Y89-F152 HydrophobicContact CE2-CD1 3.99Å; Y89-F152 AromaticContact CE2-CG 3.98Å; Y89-F152 HydrophobicContact CE2-CG 3.98Å; Y89-F152 HydrophobicContact CG-CB 4.07Å; Y89-F152 AromaticContact CG-CD1 3.82Å; Y89-F152 HydrophobicContact CG-CD1 3.82Å; Y89-F152 AromaticContact CG-CD2 3.59Å; Y89-F152 HydrophobicContact CG-CD2 3.59Å; Y89-F152 HydrophobicContact CG-CE1 4.14Å; Y89-F152 AromaticContact CG-CE2 3.93Å; Y89-F152 HydrophobicContact CG-CE2 3.93Å; Y89-F152 AromaticContact CG-CG 3.52Å; Y89-F152 HydrophobicContact CG-CG 3.52Å; Y89-F152 HydrophobicContact CG-CZ 4.19Å; Y89-F152 AromaticContact CZ-CD1 3.59Å; Y89-I197 HydrophobicContact CD1-CG2 4.28Å; Y89-I197 HydrophobicContact CE1-CG2 3.88Å; Y89-Y202 AromaticContact CE1-CD1 3.99Å; Y89-Y202 HydrophobicContact CE1-CD1 3.99Å; Y89-Y202 HydrophobicContact CE1-CE1 4.41Å
90	D	96.8	Very high	97	Very high	22 Å²	22	27.6 Å²	27.6	12%	0.118	13%	0.132	C	C	.	.	H	α-helix	trans	-63.6	-35.8	175.8	-179	68	0	0	0	112.9	D86 I87 I88 K94 L146	D86-D90 WeakPolarHBondContact O-CB 3.28Å; D86-D90 PolarHBondContact O-N 3.07Å; D86-D90 VanDerWaalsContact O-N 3.08Å; I87-D90 PolarHBondContact O-N 2.66Å; I88-D90 PolarHBondContact O-N 3Å; D90-K94 VanDerWaalsContact CG-NZ 3.26Å; D90-K94 WeakPolarHBondContact O-CB 3.37Å; D90-K94 WeakPolarHBondContact O-CG 3.36Å; D90-K94 PolarHBondContact O-N 3.1Å; D90-K94 WeakPolarHBondContact OD1-CE 3.2Å; D90-K94 IonicContact OD1-NZ 3.63Å; D90-K94 PolarHBondContact OD1-NZ 2.98Å; D90-K94 WeakPolarHBondContact OD2-CE 3.34Å; D90-K94 IonicContact OD2-NZ 2.65Å; D90-K94 PolarHBondContact OD2-NZ 3.01Å; D90-L146 HydrophobicContact CB-CD1 4.28Å
91	N	97.8	Very high	97.1	Very high	15 Å²	15	30 Å²	30	8%	0.08	14%	0.143	C	C	.	.	H	α-helix	trans	-64.9	-46.5	175.8	-76.6	-166.7	0	0	0	112.1	I87 I88 Y89 G95 N186 Y190 R213	I87-N91 WeakPolarHBondContact O-CB 3.4Å; I87-N91 PolarHBondContact O-N 3.08Å; I87-N91 PolarHBondContact O-ND2 3.35Å; I88-N91 WeakPolarHBondContact O-CB 3.43Å; I88-N91 PolarHBondContact O-N 2.85Å; Y89-N91 VanDerWaalsContact C-N 3.33Å; Y89-N91 PolarHBondContact O-N 2.98Å; N91-G95 PolarHBondContact O-N 2.7Å; N91-N186 PolarHBondContact OD1-ND2 3.37Å; N91-Y190 HydrophobicContact CB-CD2 4.36Å; N91-Y190 HydrophobicContact CB-CE2 4.09Å; N91-R213 PolarHBondContact ND2-O 3.46Å; N91-R213 WeakPolarHBondContact OD1-CA 3.42Å; N91-R213 WeakPolarHBondContact OD1-CB 3.4Å; N91-R213 PolarHBondContact OD1-N 3.1Å; N91-R213 PolarHBondContact OD1-O 3.01Å
92	I	98.1	Very high	97.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59.7	-51.1	176.9	-68	164.9	0	0	0	109.9	I88 Y89 K94 G95 V96 F152 L159 Y190 L191 L194 I197	I88-I92 HydrophobicContact CG2-CD1 3.98Å; I88-I92 WeakPolarHBondContact O-CG1 3.31Å; I88-I92 PolarHBondContact O-N 3.3Å; Y89-I92 PolarHBondContact O-N 3.36Å; I92-K94 PolarHBondContact O-N 3.13Å; I92-G95 PolarHBondContact O-N 3.17Å; I92-V96 PolarHBondContact O-N 3.11Å; I92-F152 HydrophobicContact CB-CE2 4.34Å; I92-F152 HydrophobicContact CB-CZ 4.33Å; I92-F152 HydrophobicContact CD1-CZ 3.81Å; I92-F152 HydrophobicContact CG2-CE2 4.37Å; I92-F152 HydrophobicContact CG2-CZ 4.21Å; I92-L159 HydrophobicContact CG2-CD1 3.89Å; I92-Y190 HydrophobicContact CD1-CG 4.31Å; I92-Y190 VanDerWaalsContact CG1-CB 3.43Å; I92-Y190 HydrophobicContact CG1-CD2 4.15Å; I92-Y190 HydrophobicContact CG1-CG 3.92Å; I92-L191 HydrophobicContact CG2-CD2 3.98Å; I92-L194 HydrophobicContact CD1-CD1 4.36Å; I92-L194 HydrophobicContact CG2-CD1 4.42Å; I92-I197 HydrophobicContact CD1-CD1 4.27Å; I92-I197 HydrophobicContact CD1-CG2 3.78Å
93	Y	97.3	Very high	97.2	Very high	5 Å²	5	26.3 Å²	26.3	2%	0.02	13%	0.125	C	C	.	.	H	α-helix	trans	-61.1	-47.7	-176.4	-176.3	-115.5	0	0	0	112.5	Y89 G95 V96 L97 I125 H128 F129 R136 W147 I155	Y89-Y93 WeakPolarHBondContact O-CB 3.16Å; Y89-Y93 PolarHBondContact O-N 2.7Å; Y93-G95 VanDerWaalsContact C-N 3.34Å; Y93-G95 PolarHBondContact O-N 2.85Å; Y93-V96 PolarHBondContact O-N 3.38Å; Y93-L97 HydrophobicContact CD1-CD1 3.94Å; Y93-L97 HydrophobicContact CE1-CD1 3.6Å; Y93-L97 WeakPolarHBondContact O-CG 3.47Å; Y93-L97 PolarHBondContact O-N 2.93Å; Y93-I125 HydrophobicContact CE2-CG2 4.16Å; Y93-H128 AromaticContact CE2-CE1 3.93Å; Y93-H128 AromaticContact CE2-ND1 3.59Å; Y93-H128 AromaticContact CZ-ND1 3.7Å; Y93-H128 PolarHBondContact OH-ND1 3.16Å; Y93-F129 HydrophobicContact CE1-CD2 4.01Å; Y93-F129 WeakPolarHBondContact OH-CA 3.31Å; Y93-F129 WeakPolarHBondContact OH-CB 3.08Å; Y93-F129 PolarHBondContact OH-N 2.7Å; Y93-R136 PolarHBondContact OH-NH1 3.19Å; Y93-W147 HydrophobicContact CD1-CH2 4.09Å; Y93-W147 AromaticContact CD1-CZ2 3.6Å; Y93-W147 HydrophobicContact CD1-CZ2 3.6Å; Y93-W147 AromaticContact CD2-CH2 3.77Å; Y93-W147 HydrophobicContact CD2-CH2 3.77Å; Y93-W147 HydrophobicContact CD2-CZ2 4Å; Y93-W147 HydrophobicContact CE1-CH2 4.45Å; Y93-W147 HydrophobicContact CE1-CZ2 4.25Å; Y93-W147 HydrophobicContact CE2-CH2 4.19Å; Y93-W147 AromaticContact CG-CH2 3.72Å; Y93-W147 HydrophobicContact CG-CH2 3.72Å; Y93-W147 AromaticContact CG-CZ2 3.44Å; Y93-W147 HydrophobicContact CG-CZ2 3.44Å; Y93-W147 VanDerWaalsContact CG-CZ2 3.44Å; Y93-I155 HydrophobicContact CD2-CD1 3.62Å; Y93-I155 HydrophobicContact CE2-CD1 3.95Å
94	K	96.3	Very high	97.2	Very high	107 Å²	107	27.8 Å²	27.8	47%	0.465	13%	0.132	S	C	.	.	H	α-helix	trans	-66	-35.8	176	-74	174	177.1	159.8	0	112.6	D90 I92 L97 F98	D90-K94 VanDerWaalsContact CG-NZ 3.26Å; D90-K94 WeakPolarHBondContact O-CB 3.37Å; D90-K94 WeakPolarHBondContact O-CG 3.36Å; D90-K94 PolarHBondContact O-N 3.1Å; D90-K94 WeakPolarHBondContact OD1-CE 3.2Å; D90-K94 IonicContact OD1-NZ 3.63Å; D90-K94 PolarHBondContact OD1-NZ 2.98Å; D90-K94 WeakPolarHBondContact OD2-CE 3.34Å; D90-K94 IonicContact OD2-NZ 2.65Å; D90-K94 PolarHBondContact OD2-NZ 3.01Å; I92-K94 PolarHBondContact O-N 3.13Å; K94-L97 PolarHBondContact O-N 3.03Å; K94-F98 WeakPolarHBondContact O-CB 3.49Å; K94-F98 PolarHBondContact O-N 3.15Å
95	G	97.2	Very high	97.2	Very high	4 Å²	4	30 Å²	30	4%	0.041	15%	0.149	C	C	.	.	H	α-helix	trans	-58.8	-47.5	174.8	0	0	0	0	0	111.9	N91 I92 Y93 F98 L99 T187	N91-G95 PolarHBondContact O-N 2.7Å; I92-G95 PolarHBondContact O-N 3.17Å; Y93-G95 VanDerWaalsContact C-N 3.34Å; Y93-G95 PolarHBondContact O-N 2.85Å; G95-F98 PolarHBondContact O-N 3.19Å; G95-L99 WeakPolarHBondContact O-CG 3.48Å; G95-L99 PolarHBondContact O-N 2.99Å; G95-T187 WeakPolarHBondContact CA-OG1 3.22Å
96	V	97.7	Very high	97.2	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.006	16%	0.156	C	C	.	.	H	α-helix	trans	-64.6	-46.4	176.5	172.8	0	0	0	0	111.8	I92 Y93 F98 L99 L100 L159 I162 L191	I92-V96 PolarHBondContact O-N 3.11Å; Y93-V96 PolarHBondContact O-N 3.38Å; V96-F98 VanDerWaalsContact C-N 3.25Å; V96-F98 PolarHBondContact O-N 3.2Å; V96-L99 PolarHBondContact O-N 3Å; V96-L100 HydrophobicContact CG1-CD1 4.25Å; V96-L100 HydrophobicContact CG1-CG 4.33Å; V96-L100 WeakPolarHBondContact O-CG 3.28Å; V96-L100 PolarHBondContact O-N 3.29Å; V96-L159 HydrophobicContact CB-CD2 3.92Å; V96-L159 HydrophobicContact CG1-CD2 3.96Å; V96-L159 HydrophobicContact CG2-CD2 3.77Å; V96-I162 HydrophobicContact CG1-CB 4.47Å; V96-I162 HydrophobicContact CG1-CD1 3.87Å; V96-I162 HydrophobicContact CG1-CG2 3.94Å; V96-L191 HydrophobicContact CG2-CD1 4Å; V96-L191 HydrophobicContact CG2-CD2 3.69Å; V96-L191 HydrophobicContact CG2-CG 4.42Å
97	L	97.1	Very high	97.2	Very high	34 Å²	34	37 Å²	37	18%	0.178	19%	0.186	C	C	.	.	H	α-helix	trans	-56.9	-40.2	176.4	-70.8	173.5	0	0	0	112.3	Y93 K94 Q101 I125 F129	Y93-L97 HydrophobicContact CD1-CD1 3.94Å; Y93-L97 HydrophobicContact CE1-CD1 3.6Å; Y93-L97 WeakPolarHBondContact O-CG 3.47Å; Y93-L97 PolarHBondContact O-N 2.93Å; K94-L97 PolarHBondContact O-N 3.03Å; L97-Q101 PolarHBondContact O-N 2.78Å; L97-Q101 VanDerWaalsContact O-N 3.15Å; L97-I125 HydrophobicContact CD2-CG2 3.79Å; L97-F129 HydrophobicContact CD1-CD2 3.47Å; L97-F129 VanDerWaalsContact CD1-CD2 3.47Å; L97-F129 HydrophobicContact CD1-CE2 3.77Å; L97-F129 HydrophobicContact CD1-CG 4.07Å; L97-F129 HydrophobicContact CD2-CB 4.17Å; L97-F129 HydrophobicContact CD2-CD2 4.48Å; L97-F129 HydrophobicContact CD2-CG 4.27Å
98	F	96.9	Very high	97.2	Very high	14 Å²	14	36.6 Å²	36.6	6%	0.061	18%	0.184	C	C	.	.	H	α-helix	trans	-63.4	-45.7	174.2	178	-85.9	0	0	0	111.7	K94 G95 V96 L100 Q101 A102 R175 I178 I179 F183	K94-F98 WeakPolarHBondContact O-CB 3.49Å; K94-F98 PolarHBondContact O-N 3.15Å; G95-F98 PolarHBondContact O-N 3.19Å; V96-F98 VanDerWaalsContact C-N 3.25Å; V96-F98 PolarHBondContact O-N 3.2Å; F98-L100 VanDerWaalsContact C-N 3.33Å; F98-L100 PolarHBondContact O-N 3.32Å; F98-Q101 PolarHBondContact O-N 2.86Å; F98-A102 HydrophobicContact CD1-CB 4.46Å; F98-A102 HydrophobicContact CE1-CB 4.14Å; F98-A102 WeakPolarHBondContact O-CB 3.3Å; F98-A102 PolarHBondContact O-N 3.38Å; F98-R175 HydrophobicContact CE1-CB 4.33Å; F98-I178 HydrophobicContact CE1-CD1 4.23Å; F98-I178 HydrophobicContact CE2-CD1 4.29Å; F98-I178 HydrophobicContact CZ-CD1 3.68Å; F98-I178 HydrophobicContact CZ-CG1 4.21Å; F98-I179 WeakPolarHBondContact CE2-O 3.29Å; F98-F183 HydrophobicContact CB-CD2 4.5Å; F98-F183 HydrophobicContact CD1-CB 3.9Å; F98-F183 AromaticContact CD1-CD2 3.25Å; F98-F183 HydrophobicContact CD1-CD2 3.25Å; F98-F183 HydrophobicContact CD1-CE2 4.09Å; F98-F183 AromaticContact CD1-CG 3.87Å; F98-F183 HydrophobicContact CD1-CG 3.87Å; F98-F183 HydrophobicContact CD2-CB 3.94Å; F98-F183 HydrophobicContact CE1-CB 3.69Å; F98-F183 AromaticContact CE1-CD2 3.52Å; F98-F183 HydrophobicContact CE1-CD2 3.52Å; F98-F183 HydrophobicContact CE1-CE2 4.36Å; F98-F183 AromaticContact CE1-CG 3.71Å; F98-F183 HydrophobicContact CE1-CG 3.71Å; F98-F183 HydrophobicContact CE2-CB 3.74Å; F98-F183 HydrophobicContact CG-CB 4.02Å; F98-F183 AromaticContact CG-CD2 3.89Å; F98-F183 HydrophobicContact CG-CD2 3.89Å; F98-F183 HydrophobicContact CG-CG 4.4Å; F98-F183 HydrophobicContact CZ-CB 3.61Å; F98-F183 HydrophobicContact CZ-CD2 4.33Å; F98-F183 HydrophobicContact CZ-CG 4.12Å
99	L	97.5	Very high	97.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.5	-36.4	-179.2	-69.9	177.2	0	0	0	112.6	G95 V96 A102 R103 W163 V168 F172 F183 T187 L191	G95-L99 WeakPolarHBondContact O-CG 3.48Å; G95-L99 PolarHBondContact O-N 2.99Å; V96-L99 PolarHBondContact O-N 3Å; L99-A102 PolarHBondContact O-N 3.3Å; L99-R103 WeakPolarHBondContact O-CB 3.46Å; L99-R103 PolarHBondContact O-N 2.96Å; L99-W163 HydrophobicContact CD1-CE3 4.15Å; L99-W163 HydrophobicContact CD1-CZ3 3.87Å; L99-V168 HydrophobicContact CB-CG1 4.01Å; L99-V168 HydrophobicContact CD1-CG1 4.02Å; L99-F172 HydrophobicContact CD2-CB 3.76Å; L99-F172 HydrophobicContact CD2-CD2 4.14Å; L99-F172 HydrophobicContact CD2-CG 4.45Å; L99-F183 HydrophobicContact CD2-CE2 4.39Å; L99-T187 HydrophobicContact CD1-CG2 3.81Å; L99-T187 HydrophobicContact CG-CG2 4.41Å; L99-L191 HydrophobicContact CD1-CD1 4.12Å
100	L	97.3	Very high	97.2	Very high	10 Å²	10	42.5 Å²	42.5	5%	0.052	22%	0.219	C	C	.	.	H	α-helix	trans	-62.2	-47.3	172.9	-66.9	178.6	0	0	0	111.3	V96 F98 A102 R103 E104 W110 S122 I125 I162	V96-L100 HydrophobicContact CG1-CD1 4.25Å; V96-L100 HydrophobicContact CG1-CG 4.33Å; V96-L100 WeakPolarHBondContact O-CG 3.28Å; V96-L100 PolarHBondContact O-N 3.29Å; F98-L100 VanDerWaalsContact C-N 3.33Å; F98-L100 PolarHBondContact O-N 3.32Å; L100-A102 VanDerWaalsContact C-N 3.3Å; L100-A102 PolarHBondContact O-N 3.11Å; L100-R103 PolarHBondContact O-N 3.49Å; L100-E104 PolarHBondContact O-N 3.49Å; L100-E104 VanDerWaalsContact O-N 3.1Å; L100-W110 HydrophobicContact CD2-CH2 3.71Å; L100-W110 HydrophobicContact CD2-CZ2 4.3Å; L100-S122 WeakPolarHBondContact CD1-OG 3.41Å; L100-S122 WeakPolarHBondContact CD2-OG 3.42Å; L100-I125 HydrophobicContact CD1-CG2 4.27Å; L100-I162 HydrophobicContact CD1-CD1 4.31Å; L100-I162 HydrophobicContact CD2-CG2 3.8Å; L100-I162 HydrophobicContact CG-CG2 4.49Å
101	Q	96.3	Very high	97.2	Very high	118 Å²	118	44.3 Å²	44.3	55%	0.551	24%	0.237	S	C	*	.	H	α-helix	trans	-61.6	-39.2	174.8	-176.6	-177.5	-2.8	0	0	111.8	L97 F98 E104 S105	L97-Q101 PolarHBondContact O-N 2.78Å; L97-Q101 VanDerWaalsContact O-N 3.15Å; F98-Q101 PolarHBondContact O-N 2.86Å; Q101-E104 PolarHBondContact O-N 2.95Å; Q101-S105 WeakPolarHBondContact O-CB 3.32Å; Q101-S105 PolarHBondContact O-N 2.73Å; Q101-S105 PolarHBondContact O-OG 2.66Å
102	A	96.3	Very high	97	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-65.2	-46	179.1	0	0	0	0	0	111.6	F98 L99 L100 E104 S105 L106 A171 I178	F98-A102 HydrophobicContact CD1-CB 4.46Å; F98-A102 HydrophobicContact CE1-CB 4.14Å; F98-A102 WeakPolarHBondContact O-CB 3.3Å; F98-A102 PolarHBondContact O-N 3.38Å; L99-A102 PolarHBondContact O-N 3.3Å; L100-A102 VanDerWaalsContact C-N 3.3Å; L100-A102 PolarHBondContact O-N 3.11Å; A102-E104 VanDerWaalsContact C-N 3.33Å; A102-E104 PolarHBondContact O-N 3.23Å; A102-S105 PolarHBondContact O-N 3.46Å; A102-L106 VanDerWaalsContact O-CB 3.29Å; A102-L106 WeakPolarHBondContact O-CB 3.49Å; A102-L106 VanDerWaalsContact O-CG 3.25Å; A102-L106 WeakPolarHBondContact O-CG 3.29Å; A102-L106 PolarHBondContact O-N 3.32Å; A102-A171 HydrophobicContact CB-CB 4.4Å; A102-I178 HydrophobicContact CB-CD1 3.44Å; A102-I178 VanDerWaalsContact CB-CD1 3.44Å
103	R	97.6	Very high	96.9	Very high	33 Å²	33	47.6 Å²	47.6	13%	0.125	28%	0.275	C	S	.	.	H	α-helix	trans	-55.5	-48.2	174.9	-179.8	-161.6	156.8	-75.8	-7.6	111.2	L99 L100 N107 I108 W110 A171	L99-R103 WeakPolarHBondContact O-CB 3.46Å; L99-R103 PolarHBondContact O-N 2.96Å; L100-R103 PolarHBondContact O-N 3.49Å; R103-N107 PolarHBondContact O-N 2.89Å; R103-I108 HydrophobicContact CG-CB 3.96Å; R103-I108 HydrophobicContact CG-CG2 4.46Å; R103-I108 WeakPolarHBondContact CG-O 3.39Å; R103-I108 PolarHBondContact NE-O 3.35Å; R103-I108 PolarHBondContact NH2-O 2.94Å; R103-I108 VanDerWaalsContact NH2-O 3.1Å; R103-I108 PolarHBondContact O-N 2.95Å; R103-W110 VanDerWaalsContact CZ-CE2 3.46Å; R103-W110 VanDerWaalsContact NH2-CG 3.26Å; R103-A171 HydrophobicContact CB-CB 3.86Å
104	E	96.9	Very high	96.8	Very high	137 Å²	137	54.4 Å²	54.4	64%	0.64	31%	0.311	S	S	*	.	H	α-helix	trans	-63.2	-48.8	177.9	-173.8	178.4	-161.6	0	0	111.7	L100 Q101 A102 L106 N107	L100-E104 PolarHBondContact O-N 3.49Å; L100-E104 VanDerWaalsContact O-N 3.1Å; Q101-E104 PolarHBondContact O-N 2.95Å; A102-E104 VanDerWaalsContact C-N 3.33Å; A102-E104 PolarHBondContact O-N 3.23Å; E104-L106 VanDerWaalsContact C-N 3.25Å; E104-L106 PolarHBondContact O-N 2.83Å; E104-N107 PolarHBondContact O-N 3.27Å
105	S	96.5	Very high	96.7	Very high	65 Å²	65	52.9 Å²	52.9	46%	0.455	33%	0.326	S	S	.	.	H	α-helix	trans	-63.2	-31.7	-178.8	-57	0	0	0	0	113	Q101 A102 N107	Q101-S105 WeakPolarHBondContact O-CB 3.32Å; Q101-S105 PolarHBondContact O-N 2.73Å; Q101-S105 PolarHBondContact O-OG 2.66Å; A102-S105 PolarHBondContact O-N 3.46Å; S105-N107 VanDerWaalsContact C-N 3.3Å
106	L	96.9	Very high	96.6	Very high	38 Å²	38	53.5 Å²	53.5	20%	0.199	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	1.6	176.9	-67	171.8	0	0	0	113.2	A102 E104 I108 Q174 K177 I178	A102-L106 VanDerWaalsContact O-CB 3.29Å; A102-L106 WeakPolarHBondContact O-CB 3.49Å; A102-L106 VanDerWaalsContact O-CG 3.25Å; A102-L106 WeakPolarHBondContact O-CG 3.29Å; A102-L106 PolarHBondContact O-N 3.32Å; E104-L106 VanDerWaalsContact C-N 3.25Å; E104-L106 PolarHBondContact O-N 2.83Å; L106-I108 HydrophobicContact CB-CD1 3.79Å; L106-I108 HydrophobicContact CB-CG1 3.78Å; L106-I108 HydrophobicContact CD1-CD1 4Å; L106-I108 PolarHBondContact O-N 3.24Å; L106-Q174 HydrophobicContact CD1-CB 3.71Å; L106-K177 HydrophobicContact CD2-CB 3.92Å; L106-K177 HydrophobicContact CD2-CD 4.35Å; L106-I178 HydrophobicContact CD2-CG2 3.84Å; L106-I178 HydrophobicContact CG-CG2 4.05Å
107	N	97.5	Very high	96.6	Very high	144 Å²	144	57 Å²	57	77%	0.77	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	37.4	-176.7	-58.9	-71.7	0	0	0	113.3	R103 E104 S105 P109	R103-N107 PolarHBondContact O-N 2.89Å; E104-N107 PolarHBondContact O-N 3.27Å; S105-N107 VanDerWaalsContact C-N 3.3Å; N107-P109 WeakPolarHBondContact O-CD 3.47Å
108	I	97.7	Very high	96.7	Very high	17 Å²	17	55.5 Å²	55.5	9%	0.087	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-84.7	117.5	179.2	-57.7	171.1	0	0	0	108.4	R103 L106 L170 A171	R103-I108 HydrophobicContact CG-CB 3.96Å; R103-I108 HydrophobicContact CG-CG2 4.46Å; R103-I108 WeakPolarHBondContact CG-O 3.39Å; R103-I108 PolarHBondContact NE-O 3.35Å; R103-I108 PolarHBondContact NH2-O 2.94Å; R103-I108 VanDerWaalsContact NH2-O 3.1Å; R103-I108 PolarHBondContact O-N 2.95Å; L106-I108 HydrophobicContact CB-CD1 3.79Å; L106-I108 HydrophobicContact CB-CG1 3.78Å; L106-I108 HydrophobicContact CD1-CD1 4Å; L106-I108 PolarHBondContact O-N 3.24Å; I108-L170 HydrophobicContact CD1-CD2 4.37Å; I108-L170 HydrophobicContact CD1-CG 4.13Å; I108-L170 HydrophobicContact CG2-CD2 4Å; I108-A171 HydrophobicContact CD1-CB 3.98Å
109	P	97.6	Very high	96.7	Very high	101 Å²	101	55 Å²	55	66%	0.656	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-69.4	156.7	177.1	29.8	-34.6	0	0	0	111.3	N107 A111 S167	N107-P109 WeakPolarHBondContact O-CD 3.47Å; P109-A111 PolarHBondContact O-N 3.19Å; P109-S167 WeakPolarHBondContact O-CB 3.48Å
110	W	98	Very high	96.8	Very high	27 Å²	27	58.8 Å²	58.8	10%	0.102	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-63.7	131.1	174.1	-72.8	112.8	0	0	0	109.4	L100 R103 G112 G113 A118 A119 S122 D165 V168	L100-W110 HydrophobicContact CD2-CH2 3.71Å; L100-W110 HydrophobicContact CD2-CZ2 4.3Å; R103-W110 VanDerWaalsContact CZ-CE2 3.46Å; R103-W110 VanDerWaalsContact NH2-CG 3.26Å; W110-G112 VanDerWaalsContact C-N 3.31Å; W110-G112 PolarHBondContact O-N 2.94Å; W110-G113 WeakPolarHBondContact CB-O 3.21Å; W110-G113 PolarHBondContact O-N 3.14Å; W110-A118 HydrophobicContact CE3-CB 3.84Å; W110-A118 HydrophobicContact CH2-CB 4.47Å; W110-A118 HydrophobicContact CZ3-CB 3.62Å; W110-A119 HydrophobicContact CD2-CB 3.91Å; W110-A119 HydrophobicContact CG-CB 3.84Å; W110-S122 VanDerWaalsContact CZ2-CB 3.47Å; W110-D165 HydrophobicContact CZ3-CB 4.48Å; W110-V168 HydrophobicContact CH2-CG2 4.26Å; W110-V168 HydrophobicContact CZ3-CG2 3.71Å
111	A	97.3	Very high	96.8	Very high	60 Å²	60	58.4 Å²	58.4	50%	0.496	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-41.1	-178.1	0	0	0	0	0	111	P109 G113 D165 E166	P109-A111 PolarHBondContact O-N 3.19Å; A111-G113 VanDerWaalsContact C-N 3.29Å; A111-G113 PolarHBondContact O-N 3.06Å; A111-D165 WeakPolarHBondContact CB-OD1 3.43Å; A111-D165 PolarHBondContact N-OD1 2.78Å; A111-E166 HydrophobicContact CB-CB 3.94Å
112	G	93.4	Very high	96.9	Very high	55 Å²	55	53.1 Å²	53.1	57%	0.567	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	5.3	172.9	0	0	0	0	0	115.6	W110 D165	W110-G112 VanDerWaalsContact C-N 3.31Å; W110-G112 PolarHBondContact O-N 2.94Å; G112-D165 PolarHBondContact N-OD2 2.84Å
113	G	96.2	Very high	97	Very high	30 Å²	30	59.7 Å²	59.7	31%	0.309	37%	0.367	S	S	.	.			trans	77.3	177.7	-174.3	0	0	0	0	0	114.8	W110 A111 G115 S116	W110-G113 WeakPolarHBondContact CB-O 3.21Å; W110-G113 PolarHBondContact O-N 3.14Å; A111-G113 VanDerWaalsContact C-N 3.29Å; A111-G113 PolarHBondContact O-N 3.06Å; G113-G115 PolarHBondContact O-N 2.95Å; G113-S116 VanDerWaalsContact O-CB 3.32Å; G113-S116 WeakPolarHBondContact O-CB 3.06Å; G113-S116 PolarHBondContact O-N 3.4Å; G113-S116 VanDerWaalsContact O-N 3.12Å; G113-S116 PolarHBondContact O-OG 3.18Å
114	L	94.3	Very high	97	Very high	148 Å²	148	62 Å²	62	78%	0.775	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-19.2	-173.5	-71.6	170.1	0	0	0	114.7	A119	L114-A119 WeakPolarHBondContact O-CB 3.24Å
115	G	94	Very high	97	Very high	75 Å²	75	55.5 Å²	55.5	77%	0.773	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	3.9	176.9	0	0	0	0	0	114.2	G113	G113-G115 PolarHBondContact O-N 2.95Å
116	S	96.7	Very high	97	Very high	17 Å²	17	56.1 Å²	56.1	12%	0.119	34%	0.344	C	S	.	.	S	Bend	trans	-64.5	157.9	179.9	59.8	0	0	0	0	112.5	G113 A118 A119 Q120	G113-S116 VanDerWaalsContact O-CB 3.32Å; G113-S116 WeakPolarHBondContact O-CB 3.06Å; G113-S116 PolarHBondContact O-N 3.4Å; G113-S116 VanDerWaalsContact O-N 3.12Å; G113-S116 PolarHBondContact O-OG 3.18Å; S116-A118 PolarHBondContact O-N 3.03Å; S116-A119 PolarHBondContact O-N 3.15Å; S116-A119 WeakPolarHBondContact OG-CB 3.44Å; S116-A119 PolarHBondContact OG-N 3.48Å; S116-Q120 PolarHBondContact O-N 3.31Å
117	A	97.6	Very high	97.1	Very high	73 Å²	73	56.2 Å²	56.2	60%	0.603	35%	0.351	S	S	*	.	H	α-helix	trans	-55.3	-39	172.9	0	0	0	0	0	111.8	Q120 A121 A161	A117-Q120 PolarHBondContact O-N 3.34Å; A117-A121 WeakPolarHBondContact O-CB 3.37Å; A117-A121 PolarHBondContact O-N 3.48Å; A117-A161 HydrophobicContact CB-CB 4.43Å
118	A	98.1	Very high	97.1	Very high	3 Å²	3	50.9 Å²	50.9	3%	0.025	32%	0.321	C	S	.	.	H	α-helix	trans	-66.7	-42.7	177.8	0	0	0	0	0	113	W110 S116 Q120 A121 S122 A161 D165	W110-A118 HydrophobicContact CE3-CB 3.84Å; W110-A118 HydrophobicContact CH2-CB 4.47Å; W110-A118 HydrophobicContact CZ3-CB 3.62Å; S116-A118 PolarHBondContact O-N 3.03Å; A118-Q120 VanDerWaalsContact C-N 3.33Å; A118-Q120 PolarHBondContact O-N 3.31Å; A118-A121 PolarHBondContact O-N 2.87Å; A118-S122 WeakPolarHBondContact O-CB 3.38Å; A118-S122 PolarHBondContact O-N 2.89Å; A118-A161 VanDerWaalsContact CB-O 3.31Å; A118-A161 WeakPolarHBondContact CB-O 3.26Å; A118-D165 HydrophobicContact CB-CB 3.48Å; A118-D165 VanDerWaalsContact CB-CB 3.48Å
119	A	98	Very high	97	Very high	5 Å²	5	53.5 Å²	53.5	4%	0.041	33%	0.332	C	S	.	.	H	α-helix	trans	-63.9	-39.3	175.4	0	0	0	0	0	112	W110 L114 S116 R123	W110-A119 HydrophobicContact CD2-CB 3.91Å; W110-A119 HydrophobicContact CG-CB 3.84Å; L114-A119 WeakPolarHBondContact O-CB 3.24Å; S116-A119 PolarHBondContact O-N 3.15Å; S116-A119 WeakPolarHBondContact OG-CB 3.44Å; S116-A119 PolarHBondContact OG-N 3.48Å; A119-R123 PolarHBondContact O-N 3.02Å
120	Q	98	Very high	96.9	Very high	78 Å²	78	56 Å²	56	36%	0.364	33%	0.332	S	S	.	.	H	α-helix	trans	-65.1	-49.5	174.3	178	57.4	25.7	0	0	111.5	S116 A117 A118 S122 R123 E124	S116-Q120 PolarHBondContact O-N 3.31Å; A117-Q120 PolarHBondContact O-N 3.34Å; A118-Q120 VanDerWaalsContact C-N 3.33Å; A118-Q120 PolarHBondContact O-N 3.31Å; Q120-S122 VanDerWaalsContact C-N 3.3Å; Q120-S122 PolarHBondContact O-N 2.88Å; Q120-R123 WeakPolarHBondContact O-CB 3.49Å; Q120-R123 PolarHBondContact O-N 2.88Å; Q120-R123 VanDerWaalsContact O-N 3.09Å; Q120-E124 WeakPolarHBondContact CG-OE1 3.17Å; Q120-E124 PolarHBondContact NE2-OE1 3.21Å; Q120-E124 PolarHBondContact O-N 3.28Å; Q120-E124 VanDerWaalsContact O-N 3.15Å
121	A	98.4	Very high	96.9	Very high	3 Å²	3	62 Å²	62	3%	0.025	36%	0.361	C	S	.	.	H	α-helix	trans	-59.9	-36.3	177.4	0	0	0	0	0	112.9	A117 A118 R123 E124 I125 S158 A161 I162	A117-A121 WeakPolarHBondContact O-CB 3.37Å; A117-A121 PolarHBondContact O-N 3.48Å; A118-A121 PolarHBondContact O-N 2.87Å; A121-R123 VanDerWaalsContact C-N 3.33Å; A121-R123 PolarHBondContact O-N 2.92Å; A121-E124 PolarHBondContact O-N 2.84Å; A121-I125 WeakPolarHBondContact O-CG1 3.36Å; A121-I125 PolarHBondContact O-N 3.34Å; A121-S158 WeakPolarHBondContact CB-O 3.43Å; A121-A161 HydrophobicContact CB-CB 3.95Å; A121-I162 HydrophobicContact CB-CD1 4.13Å; A121-I162 HydrophobicContact CB-CG1 3.77Å
122	S	98.2	Very high	96.8	Very high	7 Å²	7	60 Å²	60	5%	0.049	34%	0.343	C	S	.	.	H	α-helix	trans	-57.9	-45.9	173.3	-170.4	0	0	0	0	111.6	L100 W110 A118 Q120 E124 I125 E126	L100-S122 WeakPolarHBondContact CD1-OG 3.41Å; L100-S122 WeakPolarHBondContact CD2-OG 3.42Å; W110-S122 VanDerWaalsContact CZ2-CB 3.47Å; A118-S122 WeakPolarHBondContact O-CB 3.38Å; A118-S122 PolarHBondContact O-N 2.89Å; Q120-S122 VanDerWaalsContact C-N 3.3Å; Q120-S122 PolarHBondContact O-N 2.88Å; S122-E124 VanDerWaalsContact C-N 3.33Å; S122-E124 PolarHBondContact O-N 2.84Å; S122-I125 PolarHBondContact O-N 3.38Å; S122-E126 WeakPolarHBondContact O-CB 3.45Å; S122-E126 VanDerWaalsContact O-CG 3.28Å; S122-E126 WeakPolarHBondContact O-CG 3.33Å; S122-E126 PolarHBondContact O-N 3.41Å; S122-E126 PolarHBondContact OG-OE1 2.89Å
123	R	97.3	Very high	96.8	Very high	138 Å²	138	62.9 Å²	62.9	52%	0.521	34%	0.337	S	S	.	.	H	α-helix	trans	-63.5	-40.2	178.6	-67.5	-174.9	-72.2	-160.1	-4.4	111.6	A119 Q120 A121 A127	A119-R123 PolarHBondContact O-N 3.02Å; Q120-R123 WeakPolarHBondContact O-CB 3.49Å; Q120-R123 PolarHBondContact O-N 2.88Å; Q120-R123 VanDerWaalsContact O-N 3.09Å; A121-R123 VanDerWaalsContact C-N 3.33Å; A121-R123 PolarHBondContact O-N 2.92Å; R123-A127 VanDerWaalsContact O-CB 3.32Å; R123-A127 WeakPolarHBondContact O-CB 3.34Å; R123-A127 PolarHBondContact O-N 3.16Å
124	E	97.6	Very high	96.8	Very high	81 Å²	81	68 Å²	68	38%	0.379	35%	0.354	S	S	.	.	H	α-helix	trans	-63.3	-47.9	175.8	-68.9	163.6	-170.1	0	0	111.5	Q120 A121 S122 E126 A127 H128 S158	Q120-E124 WeakPolarHBondContact CG-OE1 3.17Å; Q120-E124 PolarHBondContact NE2-OE1 3.21Å; Q120-E124 PolarHBondContact O-N 3.28Å; Q120-E124 VanDerWaalsContact O-N 3.15Å; A121-E124 PolarHBondContact O-N 2.84Å; S122-E124 VanDerWaalsContact C-N 3.33Å; S122-E124 PolarHBondContact O-N 2.84Å; E124-E126 PolarHBondContact O-N 3.23Å; E124-A127 PolarHBondContact O-N 3.22Å; E124-H128 VanDerWaalsContact O-CB 3.26Å; E124-H128 WeakPolarHBondContact O-CB 3.49Å; E124-H128 PolarHBondContact O-N 2.95Å; E124-S158 PolarHBondContact OE2-OG 3.14Å
125	I	98.2	Very high	96.8	Very high	1 Å²	1	64 Å²	64	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-64.2	-39.5	178.4	-69.7	-62.1	0	0	0	111.8	Y93 L97 L100 A121 S122 F129 I155 L159 I162	Y93-I125 HydrophobicContact CE2-CG2 4.16Å; L97-I125 HydrophobicContact CD2-CG2 3.79Å; L100-I125 HydrophobicContact CD1-CG2 4.27Å; A121-I125 WeakPolarHBondContact O-CG1 3.36Å; A121-I125 PolarHBondContact O-N 3.34Å; S122-I125 PolarHBondContact O-N 3.38Å; I125-F129 WeakPolarHBondContact O-CB 3.35Å; I125-F129 PolarHBondContact O-N 2.79Å; I125-I155 HydrophobicContact CD1-CB 3.93Å; I125-I155 HydrophobicContact CD1-CD1 4.32Å; I125-I155 HydrophobicContact CD1-CG2 4.35Å; I125-L159 HydrophobicContact CD1-CD2 3.87Å; I125-L159 HydrophobicContact CD1-CG 4.31Å; I125-L159 HydrophobicContact CG1-CD2 4.4Å; I125-I162 HydrophobicContact CB-CD1 4.22Å; I125-I162 HydrophobicContact CG1-CD1 3.68Å
126	E	97	Very high	96.9	Very high	78 Å²	78	61.4 Å²	61.4	36%	0.364	30%	0.299	S	S	.	.	H	α-helix	trans	-67.1	-39.9	175.2	-75.6	169.8	-144.5	0	0	112.7	S122 E124 F129 K130	S122-E126 WeakPolarHBondContact O-CB 3.45Å; S122-E126 VanDerWaalsContact O-CG 3.28Å; S122-E126 WeakPolarHBondContact O-CG 3.33Å; S122-E126 PolarHBondContact O-N 3.41Å; S122-E126 PolarHBondContact OG-OE1 2.89Å; E124-E126 PolarHBondContact O-N 3.23Å; E126-F129 PolarHBondContact O-N 3.24Å; E126-K130 WeakPolarHBondContact O-CG 3.42Å; E126-K130 PolarHBondContact O-N 3.04Å; E126-K130 VanDerWaalsContact O-N 3.1Å
127	A	97.3	Very high	96.7	Very high	40 Å²	40	67.3 Å²	67.3	33%	0.331	32%	0.319	S	S	.	.	H	α-helix	trans	-64.6	-50.9	174.1	0	0	0	0	0	110.6	R123 E124 F129 K130 E131	R123-A127 VanDerWaalsContact O-CB 3.32Å; R123-A127 WeakPolarHBondContact O-CB 3.34Å; R123-A127 PolarHBondContact O-N 3.16Å; E124-A127 PolarHBondContact O-N 3.22Å; A127-F129 PolarHBondContact O-N 3.37Å; A127-K130 WeakPolarHBondContact O-CB 3.36Å; A127-K130 PolarHBondContact O-N 3.5Å; A127-E131 WeakPolarHBondContact O-CG 3.28Å; A127-E131 PolarHBondContact O-N 3.2Å
128	H	97.4	Very high	96.7	Very high	31 Å²	31	67.7 Å²	67.7	14%	0.144	31%	0.308	C	S	.	.	H	α-helix	trans	-55.4	-40	174.6	170.2	-109.4	0	0	0	111.6	Y93 E124 E131 T132 R136 W147	Y93-H128 AromaticContact CE2-CE1 3.93Å; Y93-H128 AromaticContact CE2-ND1 3.59Å; Y93-H128 AromaticContact CZ-ND1 3.7Å; Y93-H128 PolarHBondContact OH-ND1 3.16Å; E124-H128 VanDerWaalsContact O-CB 3.26Å; E124-H128 WeakPolarHBondContact O-CB 3.49Å; E124-H128 PolarHBondContact O-N 2.95Å; H128-E131 PolarHBondContact O-N 3.15Å; H128-T132 WeakPolarHBondContact O-CB 3.43Å; H128-T132 WeakPolarHBondContact O-CG2 3.41Å; H128-T132 PolarHBondContact O-N 2.82Å; H128-T132 PolarHBondContact O-OG1 3.38Å; H128-R136 PolarHBondContact CE1-NH1 2.9Å; H128-R136 VanDerWaalsContact CE1-NH1 3.26Å; H128-R136 PolarHBondContact CE1-NH2 3.06Å; H128-R136 PolarHBondContact NE2-NH2 3.34Å; H128-W147 AromaticContact CE1-CH2 3.94Å
129	F	96.7	Very high	96.6	Very high	73 Å²	73	69.3 Å²	69.3	32%	0.32	31%	0.314	S	S	.	.	H	α-helix	trans	-60.6	-46.8	174	179.3	-111.1	0	0	0	112.5	Y93 L97 I125 E126 A127 E131 R133	Y93-F129 HydrophobicContact CE1-CD2 4.01Å; Y93-F129 WeakPolarHBondContact OH-CA 3.31Å; Y93-F129 WeakPolarHBondContact OH-CB 3.08Å; Y93-F129 PolarHBondContact OH-N 2.7Å; L97-F129 HydrophobicContact CD1-CD2 3.47Å; L97-F129 VanDerWaalsContact CD1-CD2 3.47Å; L97-F129 HydrophobicContact CD1-CE2 3.77Å; L97-F129 HydrophobicContact CD1-CG 4.07Å; L97-F129 HydrophobicContact CD2-CB 4.17Å; L97-F129 HydrophobicContact CD2-CD2 4.48Å; L97-F129 HydrophobicContact CD2-CG 4.27Å; I125-F129 WeakPolarHBondContact O-CB 3.35Å; I125-F129 PolarHBondContact O-N 2.79Å; E126-F129 PolarHBondContact O-N 3.24Å; A127-F129 PolarHBondContact O-N 3.37Å; F129-E131 VanDerWaalsContact C-N 3.35Å; F129-E131 PolarHBondContact O-N 2.96Å; F129-R133 WeakPolarHBondContact O-CB 3.19Å; F129-R133 PolarHBondContact O-N 3.39Å; F129-R133 VanDerWaalsContact O-N 3.08Å
130	K	96.5	Very high	96.3	Very high	154 Å²	154	72.8 Å²	72.8	67%	0.67	34%	0.338	S	S	*	.	H	α-helix	trans	-62.1	-43.3	179.7	-71.5	167.5	-174.9	167.9	0	111.4	E126 A127	E126-K130 WeakPolarHBondContact O-CG 3.42Å; E126-K130 PolarHBondContact O-N 3.04Å; E126-K130 VanDerWaalsContact O-N 3.1Å; A127-K130 WeakPolarHBondContact O-CB 3.36Å; A127-K130 PolarHBondContact O-N 3.5Å
131	E	96	Very high	96.2	Very high	151 Å²	151	77.3 Å²	77.3	71%	0.706	35%	0.352	S	S	*	.	H	α-helix	trans	-69.5	-43.3	-177.3	-70.5	170	-170.5	0	0	112.5	A127 H128 F129	A127-E131 WeakPolarHBondContact O-CG 3.28Å; A127-E131 PolarHBondContact O-N 3.2Å; H128-E131 PolarHBondContact O-N 3.15Å; F129-E131 VanDerWaalsContact C-N 3.35Å; F129-E131 PolarHBondContact O-N 2.96Å
132	T	95.8	Very high	96.1	Very high	19 Å²	19	81.5 Å²	81.5	12%	0.117	37%	0.373	C	S	.	.	H	α-helix	trans	-92	-12.9	-171.9	59.1	0	0	0	0	114.5	H128 M134 M135 R136	H128-T132 WeakPolarHBondContact O-CB 3.43Å; H128-T132 WeakPolarHBondContact O-CG2 3.41Å; H128-T132 PolarHBondContact O-N 2.82Å; H128-T132 PolarHBondContact O-OG1 3.38Å; T132-M134 VanDerWaalsContact C-N 3.32Å; T132-M134 PolarHBondContact O-N 3.15Å; T132-M135 HydrophobicContact CG2-CE 4.31Å; T132-M135 PolarHBondContact O-N 3.07Å; T132-R136 PolarHBondContact O-N 2.85Å; T132-R136 PolarHBondContact OG1-NH1 3.32Å
133	R	94.5	Very high	95.8	Very high	115 Å²	115	84.6 Å²	84.6	43%	0.434	41%	0.406	S	S	.	.	H	α-helix	trans	-56.1	-41.1	-174.7	179	179.4	-174.7	-175.4	5.3	113.7	F129 R137	F129-R133 WeakPolarHBondContact O-CB 3.19Å; F129-R133 PolarHBondContact O-N 3.39Å; F129-R133 VanDerWaalsContact O-N 3.08Å; R133-R137 WeakPolarHBondContact O-CB 3.43Å; R133-R137 VanDerWaalsContact O-CG 3.26Å; R133-R137 WeakPolarHBondContact O-CG 3.29Å; R133-R137 PolarHBondContact O-N 3.15Å; R133-R137 VanDerWaalsContact O-N 3.15Å
134	M	95.1	Very high	95.7	Very high	137 Å²	137	82.9 Å²	82.9	68%	0.675	40%	0.404	S	S	*	.	H	α-helix	trans	-71.3	-43.2	179.6	-71.5	-61.4	-71.3	0	0	111.4	T132 R137 E138	T132-M134 VanDerWaalsContact C-N 3.32Å; T132-M134 PolarHBondContact O-N 3.15Å; M134-R137 PolarHBondContact O-N 3.3Å; M134-E138 PolarHBondContact O-N 2.98Å
135	M	95.6	Very high	95.5	Very high	64 Å²	64	82.8 Å²	82.8	32%	0.315	41%	0.41	S	S	.	.	H	α-helix	trans	-60.6	-48	176.3	175.4	-83.2	-85.8	0	0	111.6	T132 R137 E138 R139	T132-M135 HydrophobicContact CG2-CE 4.31Å; T132-M135 PolarHBondContact O-N 3.07Å; M135-R137 VanDerWaalsContact C-N 3.34Å; M135-R137 PolarHBondContact O-N 3.3Å; M135-E138 PolarHBondContact O-N 2.8Å; M135-E138 VanDerWaalsContact O-N 3.14Å; M135-R139 PolarHBondContact O-N 3.45Å; M135-R139 WeakPolarHBondContact SD-CD 3.48Å; M135-R139 HydrophobicContact SD-CG 4.1Å; M135-R139 PolarHBondContact SD-NE 3.28Å
136	R	94.1	Very high	95.4	Very high	21 Å²	21	84.1 Å²	84.1	8%	0.079	42%	0.417	C	S	.	.	H	α-helix	trans	-64.3	-35.8	178.3	-71.5	-172.8	176.4	114.8	16.5	112.8	Y93 H128 T132 E138 S140 L146 W147	Y93-R136 PolarHBondContact OH-NH1 3.19Å; H128-R136 PolarHBondContact CE1-NH1 2.9Å; H128-R136 VanDerWaalsContact CE1-NH1 3.26Å; H128-R136 PolarHBondContact CE1-NH2 3.06Å; H128-R136 PolarHBondContact NE2-NH2 3.34Å; T132-R136 PolarHBondContact O-N 2.85Å; T132-R136 PolarHBondContact OG1-NH1 3.32Å; R136-E138 VanDerWaalsContact C-N 3.34Å; R136-S140 WeakPolarHBondContact O-CB 3.5Å; R136-S140 PolarHBondContact O-N 2.81Å; R136-L146 WeakPolarHBondContact O-CD2 3.24Å; R136-W147 VanDerWaalsContact CZ-CH2 3.44Å
137	R	94	Very high	95.4	Very high	141 Å²	141	80.9 Å²	80.9	53%	0.532	40%	0.402	S	S	.	.	H	α-helix	trans	-62.3	-41.7	173	-81.7	174	168	-175.5	-7.6	111.9	R133 M134 M135 S140 R141	R133-R137 WeakPolarHBondContact O-CB 3.43Å; R133-R137 VanDerWaalsContact O-CG 3.26Å; R133-R137 WeakPolarHBondContact O-CG 3.29Å; R133-R137 PolarHBondContact O-N 3.15Å; R133-R137 VanDerWaalsContact O-N 3.15Å; M134-R137 PolarHBondContact O-N 3.3Å; M135-R137 VanDerWaalsContact C-N 3.34Å; M135-R137 PolarHBondContact O-N 3.3Å; R137-S140 WeakPolarHBondContact O-CB 3.44Å; R137-S140 PolarHBondContact O-N 3.33Å; R137-R141 PolarHBondContact O-N 3.28Å; R137-R141 VanDerWaalsContact O-N 3.1Å
138	E	96.2	Very high	95.3	Very high	81 Å²	81	83 Å²	83	38%	0.379	41%	0.407	S	S	.	.	H	α-helix	trans	-68.8	-44.2	178.2	-176.2	62.3	-179	0	0	111.7	M134 M135 R136 S140 R141 L142	M134-E138 PolarHBondContact O-N 2.98Å; M135-E138 PolarHBondContact O-N 2.8Å; M135-E138 VanDerWaalsContact O-N 3.14Å; R136-E138 VanDerWaalsContact C-N 3.34Å; E138-S140 VanDerWaalsContact C-N 3.3Å; E138-S140 PolarHBondContact O-N 3.25Å; E138-R141 WeakPolarHBondContact O-CB 3.22Å; E138-R141 PolarHBondContact O-N 3.15Å; E138-R141 VanDerWaalsContact O-N 3.07Å; E138-R141 IonicContact OE1-CZ 2.87Å; E138-R141 IonicContact OE1-NE 3.38Å; E138-R141 IonicContact OE1-NH2 3.54Å; E138-R141 PolarHBondContact OE1-NH2 3.11Å; E138-R141 IonicContact OE2-CZ 3.34Å; E138-R141 IonicContact OE2-NE 3.37Å; E138-R141 PolarHBondContact OE2-NE 3.37Å; E138-R141 IonicContact OE2-NH2 3.56Å; E138-R141 PolarHBondContact OE2-NH2 2.87Å; E138-L142 HydrophobicContact CG-CD1 4.02Å; E138-L142 HydrophobicContact CG-CG 4.49Å; E138-L142 WeakPolarHBondContact O-CG 3.38Å; E138-L142 PolarHBondContact O-N 3.08Å
139	R	96.3	Very high	95.2	Very high	37 Å²	37	83.5 Å²	83.5	14%	0.14	41%	0.409	C	S	.	.	H	α-helix	trans	-54.4	-46.2	172.9	-73.5	-178.7	172.2	172.8	4.7	111.7	M135 R141 L142 G143 Q144 P145 L146 E151	M135-R139 PolarHBondContact O-N 3.45Å; M135-R139 WeakPolarHBondContact SD-CD 3.48Å; M135-R139 HydrophobicContact SD-CG 4.1Å; M135-R139 PolarHBondContact SD-NE 3.28Å; R139-R141 VanDerWaalsContact C-N 3.35Å; R139-R141 PolarHBondContact O-N 2.71Å; R139-L142 CarbonylContact O-C 3.59Å; R139-L142 PolarHBondContact O-N 3.04Å; R139-G143 PolarHBondContact O-N 2.74Å; R139-G143 VanDerWaalsContact O-N 3.08Å; R139-Q144 HydrophobicContact CB-CB 4.09Å; R139-Q144 HydrophobicContact CG-CB 4.31Å; R139-Q144 PolarHBondContact O-N 3.42Å; R139-P145 VanDerWaalsContact CD-O 3.29Å; R139-P145 WeakPolarHBondContact CD-O 3.44Å; R139-L146 PolarHBondContact NH1-O 3.18Å; R139-L146 VanDerWaalsContact NH1-O 3.08Å; R139-E151 IonicContact CZ-OE1 2.92Å; R139-E151 IonicContact CZ-OE2 3.68Å; R139-E151 IonicContact NH1-OE1 2.71Å; R139-E151 PolarHBondContact NH1-OE1 3.23Å; R139-E151 IonicContact NH1-OE2 3.83Å; R139-E151 PolarHBondContact NH1-OE2 3.39Å; R139-E151 IonicContact NH2-OE1 3.6Å; R139-E151 PolarHBondContact NH2-OE1 3.29Å; R139-E151 IonicContact NH2-OE2 2.97Å
140	S	93.2	Very high	95.2	Very high	78 Å²	78	86.5 Å²	86.5	55%	0.545	43%	0.425	S	S	.	.	H	α-helix	trans	-58.1	-44	175.6	-170.2	0	0	0	0	112.8	R136 R137 E138 L142 G143	R136-S140 WeakPolarHBondContact O-CB 3.5Å; R136-S140 PolarHBondContact O-N 2.81Å; R137-S140 WeakPolarHBondContact O-CB 3.44Å; R137-S140 PolarHBondContact O-N 3.33Å; E138-S140 VanDerWaalsContact C-N 3.3Å; E138-S140 PolarHBondContact O-N 3.25Å; S140-L142 VanDerWaalsContact C-N 3.32Å; S140-L142 PolarHBondContact O-N 2.9Å; S140-G143 PolarHBondContact O-N 2.6Å
141	R	94.6	Very high	95.2	Very high	174 Å²	174	81.1 Å²	81.1	66%	0.657	40%	0.402	S	S	*	.	H	α-helix	trans	-65.2	-35.3	179.2	-169.5	-175.4	73.1	84.8	-0.8	112.3	R137 E138 R139 G143	R137-R141 PolarHBondContact O-N 3.28Å; R137-R141 VanDerWaalsContact O-N 3.1Å; E138-R141 WeakPolarHBondContact O-CB 3.22Å; E138-R141 PolarHBondContact O-N 3.15Å; E138-R141 VanDerWaalsContact O-N 3.07Å; E138-R141 IonicContact OE1-CZ 2.87Å; E138-R141 IonicContact OE1-NE 3.38Å; E138-R141 IonicContact OE1-NH2 3.54Å; E138-R141 PolarHBondContact OE1-NH2 3.11Å; E138-R141 IonicContact OE2-CZ 3.34Å; E138-R141 IonicContact OE2-NE 3.37Å; E138-R141 PolarHBondContact OE2-NE 3.37Å; E138-R141 IonicContact OE2-NH2 3.56Å; E138-R141 PolarHBondContact OE2-NH2 2.87Å; R139-R141 VanDerWaalsContact C-N 3.35Å; R139-R141 PolarHBondContact O-N 2.71Å; R141-G143 VanDerWaalsContact C-N 3.33Å
142	L	95.8	Very high	95.3	Very high	90 Å²	90	73.9 Å²	73.9	47%	0.471	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-1.7	179.2	-63.9	176.2	0	0	0	113.5	E138 R139 S140 Q144	E138-L142 HydrophobicContact CG-CD1 4.02Å; E138-L142 HydrophobicContact CG-CG 4.49Å; E138-L142 WeakPolarHBondContact O-CG 3.38Å; E138-L142 PolarHBondContact O-N 3.08Å; R139-L142 CarbonylContact O-C 3.59Å; R139-L142 PolarHBondContact O-N 3.04Å; S140-L142 VanDerWaalsContact C-N 3.32Å; S140-L142 PolarHBondContact O-N 2.9Å; L142-Q144 VanDerWaalsContact C-N 3.25Å; L142-Q144 HydrophobicContact CB-CG 4.09Å; L142-Q144 PolarHBondContact O-N 2.75Å
143	G	92.6	Very high	95.4	Very high	72 Å²	72	74.8 Å²	74.8	74%	0.742	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	22.7	-176.8	0	0	0	0	0	113.9	R139 S140 R141	R139-G143 PolarHBondContact O-N 2.74Å; R139-G143 VanDerWaalsContact O-N 3.08Å; S140-G143 PolarHBondContact O-N 2.6Å; R141-G143 VanDerWaalsContact C-N 3.33Å
144	Q	94.8	Very high	95.6	Very high	103 Å²	103	76.7 Å²	76.7	48%	0.481	39%	0.386	S	S	.	.			trans	-85.7	155.2	175.1	-65.8	178.1	-20.7	0	0	110.5	R139 L142 L146	R139-Q144 HydrophobicContact CB-CB 4.09Å; R139-Q144 HydrophobicContact CG-CB 4.31Å; R139-Q144 PolarHBondContact O-N 3.42Å; L142-Q144 VanDerWaalsContact C-N 3.25Å; L142-Q144 HydrophobicContact CB-CG 4.09Å; L142-Q144 PolarHBondContact O-N 2.75Å; Q144-L146 PolarHBondContact O-N 3.32Å
145	P	94.8	Very high	95.7	Very high	78 Å²	78	70.7 Å²	70.7	51%	0.506	36%	0.356	S	S	.	.			trans	-53.1	137.2	171.3	-23.5	33.7	0	0	0	110.7	R139 W147	R139-P145 VanDerWaalsContact CD-O 3.29Å; R139-P145 WeakPolarHBondContact CD-O 3.44Å; P145-W147 VanDerWaalsContact C-N 3.3Å
146	L	95.7	Very high	95.8	Very high	30 Å²	30	68.3 Å²	68.3	16%	0.157	35%	0.345	C	S	.	.	S	Bend	trans	-70.6	-32.7	178.3	-62.8	176.8	0	0	0	111.6	D86 D90 R136 R139 Q144	D86-L146 VanDerWaalsContact CG-N 3.32Å; D86-L146 WeakPolarHBondContact OD1-CA 3.34Å; D86-L146 WeakPolarHBondContact OD1-CB 3.47Å; D86-L146 PolarHBondContact OD1-N 3.1Å; D86-L146 PolarHBondContact OD2-N 3.34Å; D86-L146 VanDerWaalsContact OD2-N 3.11Å; D90-L146 HydrophobicContact CB-CD1 4.28Å; R136-L146 WeakPolarHBondContact O-CD2 3.24Å; R139-L146 PolarHBondContact NH1-O 3.18Å; R139-L146 VanDerWaalsContact NH1-O 3.08Å; Q144-L146 PolarHBondContact O-N 3.32Å
147	W	96.5	Very high	96	Very high	10 Å²	10	71.2 Å²	71.2	4%	0.038	37%	0.367	C	S	.	.			trans	-116.6	135	-179.1	-65.9	91.2	0	0	0	111.5	D86 Y89 Y93 H128 R136 P145 E151 F152 I155	D86-W147 PolarHBondContact OD1-N 2.89Å; Y89-W147 HydrophobicContact CD2-CB 3.91Å; Y89-W147 HydrophobicContact CD2-CG 4.27Å; Y93-W147 HydrophobicContact CD1-CH2 4.09Å; Y93-W147 AromaticContact CD1-CZ2 3.6Å; Y93-W147 HydrophobicContact CD1-CZ2 3.6Å; Y93-W147 AromaticContact CD2-CH2 3.77Å; Y93-W147 HydrophobicContact CD2-CH2 3.77Å; Y93-W147 HydrophobicContact CD2-CZ2 4Å; Y93-W147 HydrophobicContact CE1-CH2 4.45Å; Y93-W147 HydrophobicContact CE1-CZ2 4.25Å; Y93-W147 HydrophobicContact CE2-CH2 4.19Å; Y93-W147 AromaticContact CG-CH2 3.72Å; Y93-W147 HydrophobicContact CG-CH2 3.72Å; Y93-W147 AromaticContact CG-CZ2 3.44Å; Y93-W147 HydrophobicContact CG-CZ2 3.44Å; Y93-W147 VanDerWaalsContact CG-CZ2 3.44Å; H128-W147 AromaticContact CE1-CH2 3.94Å; R136-W147 VanDerWaalsContact CZ-CH2 3.44Å; P145-W147 VanDerWaalsContact C-N 3.3Å; W147-E151 HydrophobicContact CE3-CB 4.34Å; W147-F152 HydrophobicContact CD2-CB 4.32Å; W147-F152 HydrophobicContact CD2-CD2 4.2Å; W147-F152 HydrophobicContact CE3-CB 3.67Å; W147-F152 AromaticContact CE3-CD2 3.97Å; W147-F152 HydrophobicContact CE3-CD2 3.97Å; W147-F152 HydrophobicContact CE3-CG 4.34Å; W147-F152 HydrophobicContact CH2-CD2 4.31Å; W147-F152 HydrophobicContact CZ3-CB 4.15Å; W147-F152 HydrophobicContact CZ3-CD2 4Å; W147-I155 HydrophobicContact CH2-CD1 3.48Å; W147-I155 VanDerWaalsContact CH2-CD1 3.48Å; W147-I155 HydrophobicContact CZ3-CD1 3.72Å; W147-I155 HydrophobicContact CZ3-CG1 4.32Å
148	L	95	Very high	96.2	Very high	83 Å²	83	65.3 Å²	65.3	44%	0.435	35%	0.347	S	S	.	.			trans	-84	150.5	149.5	-55.2	177.8	0	0	0	108.3	E150 E151 F152	L148-E150 VanDerWaalsContact C-N 3.3Å; L148-E150 PolarHBondContact O-N 3.29Å; L148-E151 HydrophobicContact CB-CB 4.37Å; L148-E151 HydrophobicContact CB-CG 3.93Å; L148-E151 HydrophobicContact CD1-CG 4.45Å; L148-E151 HydrophobicContact CG-CG 4.46Å; L148-E151 PolarHBondContact N-OE2 3.33Å; L148-E151 PolarHBondContact O-N 3.27Å; L148-F152 PolarHBondContact O-N 2.93Å
149	E	96	Very high	96.3	Very high	43 Å²	43	61.4 Å²	61.4	20%	0.201	33%	0.329	C	S	.	.	H	α-helix	trans	-61.4	-42.7	-177.9	178	160.9	-151.9	0	0	111	K85 E151 F152 L153 N201 Y202	K85-E149 IonicContact NZ-OE1 3.44Å; K85-E149 PolarHBondContact NZ-OE1 3.11Å; K85-E149 IonicContact NZ-OE2 3.6Å; K85-E149 PolarHBondContact NZ-OE2 2.88Å; E149-E151 VanDerWaalsContact C-N 3.32Å; E149-E151 PolarHBondContact O-N 3.47Å; E149-F152 PolarHBondContact O-N 3.25Å; E149-F152 VanDerWaalsContact O-N 3.1Å; E149-L153 HydrophobicContact CG-CD1 3.87Å; E149-L153 HydrophobicContact CG-CG 4.16Å; E149-L153 VanDerWaalsContact O-CG 3.3Å; E149-L153 WeakPolarHBondContact O-CG 3.43Å; E149-L153 PolarHBondContact O-N 2.92Å; E149-N201 WeakPolarHBondContact OE1-CA 3.28Å; E149-N201 PolarHBondContact OE1-N 3.19Å; E149-Y202 PolarHBondContact OE1-N 3.42Å
150	E	96.7	Very high	96.4	Very high	136 Å²	136	61.6 Å²	61.6	64%	0.636	33%	0.333	S	S	*	.	H	α-helix	trans	-60.8	-41.1	179.2	-57.1	78.1	-170.8	0	0	111.7	L148 F152 L153 E154	L148-E150 VanDerWaalsContact C-N 3.3Å; L148-E150 PolarHBondContact O-N 3.29Å; E150-F152 VanDerWaalsContact C-N 3.31Å; E150-F152 PolarHBondContact O-N 3.49Å; E150-L153 PolarHBondContact O-N 3.18Å; E150-E154 PolarHBondContact O-N 3.27Å
151	E	96.6	Very high	96.6	Very high	40 Å²	40	59.2 Å²	59.2	19%	0.187	32%	0.317	C	S	.	.	H	α-helix	trans	-64.7	-34.9	176.9	-66.9	172.1	165.1	0	0	112.1	R139 W147 L148 E149	R139-E151 IonicContact CZ-OE1 2.92Å; R139-E151 IonicContact CZ-OE2 3.68Å; R139-E151 IonicContact NH1-OE1 2.71Å; R139-E151 PolarHBondContact NH1-OE1 3.23Å; R139-E151 IonicContact NH1-OE2 3.83Å; R139-E151 PolarHBondContact NH1-OE2 3.39Å; R139-E151 IonicContact NH2-OE1 3.6Å; R139-E151 PolarHBondContact NH2-OE1 3.29Å; R139-E151 IonicContact NH2-OE2 2.97Å; W147-E151 HydrophobicContact CE3-CB 4.34Å; L148-E151 HydrophobicContact CB-CB 4.37Å; L148-E151 HydrophobicContact CB-CG 3.93Å; L148-E151 HydrophobicContact CD1-CG 4.45Å; L148-E151 HydrophobicContact CG-CG 4.46Å; L148-E151 PolarHBondContact N-OE2 3.33Å; L148-E151 PolarHBondContact O-N 3.27Å; E149-E151 VanDerWaalsContact C-N 3.32Å; E149-E151 PolarHBondContact O-N 3.47Å
152	F	97.7	Very high	96.8	Very high	0 Å²	0	51 Å²	51	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-73.9	-45.7	175.9	-177.2	-99.3	0	0	0	110.9	Y89 I92 W147 L148 E149 E150 E154 I155 V156 L159 L194 I197	Y89-F152 AromaticContact CD1-CD1 3.45Å; Y89-F152 HydrophobicContact CD1-CD1 3.45Å; Y89-F152 VanDerWaalsContact CD1-CD1 3.45Å; Y89-F152 AromaticContact CD1-CD2 3.85Å; Y89-F152 HydrophobicContact CD1-CD2 3.85Å; Y89-F152 AromaticContact CD1-CE1 3.4Å; Y89-F152 HydrophobicContact CD1-CE1 3.4Å; Y89-F152 AromaticContact CD1-CE2 3.8Å; Y89-F152 HydrophobicContact CD1-CE2 3.8Å; Y89-F152 AromaticContact CD1-CG 3.67Å; Y89-F152 HydrophobicContact CD1-CG 3.67Å; Y89-F152 AromaticContact CD1-CZ 3.58Å; Y89-F152 HydrophobicContact CD1-CZ 3.58Å; Y89-F152 HydrophobicContact CD2-CB 3.72Å; Y89-F152 HydrophobicContact CD2-CD1 4.08Å; Y89-F152 HydrophobicContact CD2-CD2 4.14Å; Y89-F152 AromaticContact CD2-CG 3.7Å; Y89-F152 HydrophobicContact CD2-CG 3.7Å; Y89-F152 AromaticContact CE1-CD1 3.33Å; Y89-F152 HydrophobicContact CE1-CD1 3.33Å; Y89-F152 AromaticContact CE1-CE1 3.4Å; Y89-F152 HydrophobicContact CE1-CE1 3.4Å; Y89-F152 VanDerWaalsContact CE1-CE1 3.4Å; Y89-F152 AromaticContact CE1-CG 3.95Å; Y89-F152 HydrophobicContact CE1-CG 3.95Å; Y89-F152 HydrophobicContact CE1-CZ 4.08Å; Y89-F152 HydrophobicContact CE2-CB 3.88Å; Y89-F152 AromaticContact CE2-CD1 3.99Å; Y89-F152 HydrophobicContact CE2-CD1 3.99Å; Y89-F152 AromaticContact CE2-CG 3.98Å; Y89-F152 HydrophobicContact CE2-CG 3.98Å; Y89-F152 HydrophobicContact CG-CB 4.07Å; Y89-F152 AromaticContact CG-CD1 3.82Å; Y89-F152 HydrophobicContact CG-CD1 3.82Å; Y89-F152 AromaticContact CG-CD2 3.59Å; Y89-F152 HydrophobicContact CG-CD2 3.59Å; Y89-F152 HydrophobicContact CG-CE1 4.14Å; Y89-F152 AromaticContact CG-CE2 3.93Å; Y89-F152 HydrophobicContact CG-CE2 3.93Å; Y89-F152 AromaticContact CG-CG 3.52Å; Y89-F152 HydrophobicContact CG-CG 3.52Å; Y89-F152 HydrophobicContact CG-CZ 4.19Å; Y89-F152 AromaticContact CZ-CD1 3.59Å; I92-F152 HydrophobicContact CB-CE2 4.34Å; I92-F152 HydrophobicContact CB-CZ 4.33Å; I92-F152 HydrophobicContact CD1-CZ 3.81Å; I92-F152 HydrophobicContact CG2-CE2 4.37Å; I92-F152 HydrophobicContact CG2-CZ 4.21Å; W147-F152 HydrophobicContact CD2-CB 4.32Å; W147-F152 HydrophobicContact CD2-CD2 4.2Å; W147-F152 HydrophobicContact CE3-CB 3.67Å; W147-F152 AromaticContact CE3-CD2 3.97Å; W147-F152 HydrophobicContact CE3-CD2 3.97Å; W147-F152 HydrophobicContact CE3-CG 4.34Å; W147-F152 HydrophobicContact CH2-CD2 4.31Å; W147-F152 HydrophobicContact CZ3-CB 4.15Å; W147-F152 HydrophobicContact CZ3-CD2 4Å; L148-F152 PolarHBondContact O-N 2.93Å; E149-F152 PolarHBondContact O-N 3.25Å; E149-F152 VanDerWaalsContact O-N 3.1Å; E150-F152 VanDerWaalsContact C-N 3.31Å; E150-F152 PolarHBondContact O-N 3.49Å; F152-E154 VanDerWaalsContact C-N 3.26Å; F152-E154 PolarHBondContact O-N 3.08Å; F152-I155 HydrophobicContact CD2-CD1 4.49Å; F152-I155 WeakPolarHBondContact O-CG1 3.5Å; F152-I155 PolarHBondContact O-N 3.31Å; F152-I155 VanDerWaalsContact O-N 3.15Å; F152-V156 HydrophobicContact CD1-CG2 3.96Å; F152-V156 HydrophobicContact CE1-CG2 3.72Å; F152-V156 HydrophobicContact CZ-CG2 4.4Å; F152-V156 WeakPolarHBondContact O-CG2 3.46Å; F152-V156 PolarHBondContact O-N 3.39Å; F152-L159 HydrophobicContact CE2-CD1 4.15Å; F152-L159 HydrophobicContact CZ-CD1 4.24Å; F152-L194 HydrophobicContact CE1-CD1 4.42Å; F152-L194 HydrophobicContact CZ-CD1 4.22Å; F152-I197 HydrophobicContact CE1-CG2 4.42Å
153	L	98.1	Very high	96.9	Very high	38 Å²	38	47.9 Å²	47.9	20%	0.199	27%	0.268	C	S	.	.	H	α-helix	trans	-60.5	-35.3	-179.8	-67.7	179.2	0	0	0	112.4	E149 E150 I155 V156 G198 E200	E149-L153 HydrophobicContact CG-CD1 3.87Å; E149-L153 HydrophobicContact CG-CG 4.16Å; E149-L153 VanDerWaalsContact O-CG 3.3Å; E149-L153 WeakPolarHBondContact O-CG 3.43Å; E149-L153 PolarHBondContact O-N 2.92Å; E150-L153 PolarHBondContact O-N 3.18Å; L153-I155 PolarHBondContact O-N 2.89Å; L153-V156 HydrophobicContact CD2-CG2 4.43Å; L153-V156 PolarHBondContact O-N 3.21Å; L153-G198 WeakPolarHBondContact CD2-O 3.5Å; L153-E200 HydrophobicContact CD1-CG 3.8Å
154	E	97.5	Very high	97.1	Very high	155 Å²	155	51.6 Å²	51.6	72%	0.724	27%	0.267	S	S	*	.	H	α-helix	trans	-56.7	-36.2	176.3	-173.7	177.7	176.8	0	0	112.8	E150 F152	E150-E154 PolarHBondContact O-N 3.27Å; F152-E154 VanDerWaalsContact C-N 3.26Å; F152-E154 PolarHBondContact O-N 3.08Å
155	I	97.9	Very high	97.3	Very high	11 Å²	11	47.5 Å²	47.5	6%	0.056	25%	0.248	C	C	.	.	H	α-helix	trans	-93.5	-9.8	-176.8	65.1	161.1	0	0	0	114	Y93 I125 W147 F152 L153 P157 S158 L159	Y93-I155 HydrophobicContact CD2-CD1 3.62Å; Y93-I155 HydrophobicContact CE2-CD1 3.95Å; I125-I155 HydrophobicContact CD1-CB 3.93Å; I125-I155 HydrophobicContact CD1-CD1 4.32Å; I125-I155 HydrophobicContact CD1-CG2 4.35Å; W147-I155 HydrophobicContact CH2-CD1 3.48Å; W147-I155 VanDerWaalsContact CH2-CD1 3.48Å; W147-I155 HydrophobicContact CZ3-CD1 3.72Å; W147-I155 HydrophobicContact CZ3-CG1 4.32Å; F152-I155 HydrophobicContact CD2-CD1 4.49Å; F152-I155 WeakPolarHBondContact O-CG1 3.5Å; F152-I155 PolarHBondContact O-N 3.31Å; F152-I155 VanDerWaalsContact O-N 3.15Å; L153-I155 PolarHBondContact O-N 2.89Å; I155-P157 VanDerWaalsContact C-CD 3.47Å; I155-S158 PolarHBondContact O-N 2.98Å; I155-S158 VanDerWaalsContact O-N 3.11Å; I155-L159 HydrophobicContact CD1-CD1 3.92Å; I155-L159 HydrophobicContact CD1-CD2 4.46Å; I155-L159 HydrophobicContact CD1-CG 4.31Å; I155-L159 HydrophobicContact CG1-CD1 4.05Å; I155-L159 HydrophobicContact CG1-CG 4.42Å; I155-L159 WeakPolarHBondContact O-CG 3.3Å; I155-L159 PolarHBondContact O-N 3.3Å
156	V	98.4	Very high	97.4	Very high	13 Å²	13	50.1 Å²	50.1	8%	0.079	25%	0.253	C	S	.	.	H	α-helix	trans	-53	-44	-179.1	167.4	0	0	0	0	112.9	F152 L153 S158 L159 N160 L194	F152-V156 HydrophobicContact CD1-CG2 3.96Å; F152-V156 HydrophobicContact CE1-CG2 3.72Å; F152-V156 HydrophobicContact CZ-CG2 4.4Å; F152-V156 WeakPolarHBondContact O-CG2 3.46Å; F152-V156 PolarHBondContact O-N 3.39Å; L153-V156 HydrophobicContact CD2-CG2 4.43Å; L153-V156 PolarHBondContact O-N 3.21Å; V156-S158 VanDerWaalsContact C-N 3.34Å; V156-S158 PolarHBondContact O-N 3.25Å; V156-L159 PolarHBondContact O-N 2.9Å; V156-N160 PolarHBondContact O-N 2.67Å; V156-L194 HydrophobicContact CG1-CD1 4.44Å; V156-L194 HydrophobicContact CG1-CD2 4.41Å; V156-L194 HydrophobicContact CG1-CG 4.14Å; V156-L194 HydrophobicContact CG2-CD1 4.39Å
157	P	98.1	Very high	97.5	Very high	83 Å²	83	48.9 Å²	48.9	54%	0.539	25%	0.247	S	C	.	.	H	α-helix	trans	-58.2	-43.2	177.1	-25.6	35.9	0	0	0	113.1	I155 N160 A161	I155-P157 VanDerWaalsContact C-CD 3.47Å; P157-N160 PolarHBondContact O-N 3.05Å; P157-A161 WeakPolarHBondContact O-CB 3.36Å; P157-A161 PolarHBondContact O-N 3.36Å
158	S	98.4	Very high	97.6	Very high	16 Å²	16	48.4 Å²	48.4	11%	0.112	25%	0.246	C	C	.	.	H	α-helix	trans	-67.8	-39.9	178.3	-50.5	0	0	0	0	111.1	A121 E124 I155 V156 N160 A161 I162	A121-S158 WeakPolarHBondContact CB-O 3.43Å; E124-S158 PolarHBondContact OE2-OG 3.14Å; I155-S158 PolarHBondContact O-N 2.98Å; I155-S158 VanDerWaalsContact O-N 3.11Å; V156-S158 VanDerWaalsContact C-N 3.34Å; V156-S158 PolarHBondContact O-N 3.25Å; S158-N160 PolarHBondContact O-N 2.85Å; S158-A161 PolarHBondContact O-N 2.89Å; S158-I162 WeakPolarHBondContact O-CD1 3.11Å; S158-I162 VanDerWaalsContact O-CG1 3.22Å; S158-I162 WeakPolarHBondContact O-CG1 3.07Å; S158-I162 PolarHBondContact O-N 2.87Å
159	L	98.5	Very high	97.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.7	-43	174.7	-62.6	175	0	0	0	112.1	I92 V96 I125 F152 I155 V156 I162 W163 L194	I92-L159 HydrophobicContact CG2-CD1 3.89Å; V96-L159 HydrophobicContact CB-CD2 3.92Å; V96-L159 HydrophobicContact CG1-CD2 3.96Å; V96-L159 HydrophobicContact CG2-CD2 3.77Å; I125-L159 HydrophobicContact CD1-CD2 3.87Å; I125-L159 HydrophobicContact CD1-CG 4.31Å; I125-L159 HydrophobicContact CG1-CD2 4.4Å; F152-L159 HydrophobicContact CE2-CD1 4.15Å; F152-L159 HydrophobicContact CZ-CD1 4.24Å; I155-L159 HydrophobicContact CD1-CD1 3.92Å; I155-L159 HydrophobicContact CD1-CD2 4.46Å; I155-L159 HydrophobicContact CD1-CG 4.31Å; I155-L159 HydrophobicContact CG1-CD1 4.05Å; I155-L159 HydrophobicContact CG1-CG 4.42Å; I155-L159 WeakPolarHBondContact O-CG 3.3Å; I155-L159 PolarHBondContact O-N 3.3Å; V156-L159 PolarHBondContact O-N 2.9Å; L159-I162 PolarHBondContact O-N 3.08Å; L159-W163 PolarHBondContact O-N 3.24Å; L159-W163 VanDerWaalsContact O-N 3.09Å; L159-L194 HydrophobicContact CB-CD2 3.57Å; L159-L194 HydrophobicContact CD1-CD2 4.48Å
160	N	97.9	Very high	97.7	Very high	41 Å²	41	51.2 Å²	51.2	22%	0.219	25%	0.254	C	S	.	.	H	α-helix	trans	-61.9	-48.8	174.9	-94.2	-24.9	0	0	0	111.4	V156 P157 S158 I162 W163 E164 L194 N195	V156-N160 PolarHBondContact O-N 2.67Å; P157-N160 PolarHBondContact O-N 3.05Å; S158-N160 PolarHBondContact O-N 2.85Å; N160-I162 VanDerWaalsContact C-N 3.27Å; N160-I162 PolarHBondContact O-N 2.88Å; N160-W163 PolarHBondContact O-N 2.82Å; N160-E164 VanDerWaalsContact O-CG 3.32Å; N160-E164 WeakPolarHBondContact O-CG 3.26Å; N160-E164 PolarHBondContact O-N 2.87Å; N160-L194 HydrophobicContact CB-CD2 4.42Å; N160-L194 WeakPolarHBondContact OD1-CD2 3.25Å; N160-N195 PolarHBondContact ND2-OD1 3.02Å; N160-N195 VanDerWaalsContact ND2-OD1 3.12Å
161	A	98	Very high	97.7	Very high	27 Å²	27	44.8 Å²	44.8	22%	0.223	22%	0.223	C	C	.	.	H	α-helix	trans	-59.6	-37.1	179.4	0	0	0	0	0	112.7	A117 A118 A121 P157 S158	A117-A161 HydrophobicContact CB-CB 4.43Å; A118-A161 VanDerWaalsContact CB-O 3.31Å; A118-A161 WeakPolarHBondContact CB-O 3.26Å; A121-A161 HydrophobicContact CB-CB 3.95Å; P157-A161 WeakPolarHBondContact O-CB 3.36Å; P157-A161 PolarHBondContact O-N 3.36Å; S158-A161 PolarHBondContact O-N 2.89Å
162	I	98.4	Very high	97.6	Very high	1 Å²	1	43 Å²	43	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-67.8	-45.5	176	-68.2	162.7	0	0	0	111	V96 L100 A121 I125 S158 L159 N160 D165 V168	V96-I162 HydrophobicContact CG1-CB 4.47Å; V96-I162 HydrophobicContact CG1-CD1 3.87Å; V96-I162 HydrophobicContact CG1-CG2 3.94Å; L100-I162 HydrophobicContact CD1-CD1 4.31Å; L100-I162 HydrophobicContact CD2-CG2 3.8Å; L100-I162 HydrophobicContact CG-CG2 4.49Å; A121-I162 HydrophobicContact CB-CD1 4.13Å; A121-I162 HydrophobicContact CB-CG1 3.77Å; I125-I162 HydrophobicContact CB-CD1 4.22Å; I125-I162 HydrophobicContact CG1-CD1 3.68Å; S158-I162 WeakPolarHBondContact O-CD1 3.11Å; S158-I162 VanDerWaalsContact O-CG1 3.22Å; S158-I162 WeakPolarHBondContact O-CG1 3.07Å; S158-I162 PolarHBondContact O-N 2.87Å; L159-I162 PolarHBondContact O-N 3.08Å; N160-I162 VanDerWaalsContact C-N 3.27Å; N160-I162 PolarHBondContact O-N 2.88Å; I162-D165 PolarHBondContact O-N 3.49Å; I162-V168 HydrophobicContact CG2-CG1 4.08Å; I162-V168 HydrophobicContact CG2-CG2 3.89Å; I162-V168 WeakPolarHBondContact O-CB 3.44Å; I162-V168 VanDerWaalsContact O-CG2 3.3Å; I162-V168 WeakPolarHBondContact O-CG2 3.33Å
163	W	97.9	Very high	97.4	Very high	25 Å²	25	47.3 Å²	47.3	10%	0.095	24%	0.238	C	C	.	.	H	α-helix	trans	-71	-31.2	-176.4	-176.3	-123.6	0	0	0	114	L99 L159 N160 D165 V168 R169 F172 R188 L191 N192	L99-W163 HydrophobicContact CD1-CE3 4.15Å; L99-W163 HydrophobicContact CD1-CZ3 3.87Å; L159-W163 PolarHBondContact O-N 3.24Å; L159-W163 VanDerWaalsContact O-N 3.09Å; N160-W163 PolarHBondContact O-N 2.82Å; W163-D165 PolarHBondContact O-N 3.01Å; W163-V168 HydrophobicContact CE3-CG1 4.1Å; W163-V168 HydrophobicContact CZ3-CG1 4.45Å; W163-R169 HydrophobicContact CE3-CG 4.3Å; W163-R169 HydrophobicContact CH2-CG 4.03Å; W163-R169 HydrophobicContact CZ2-CG 4.33Å; W163-R169 HydrophobicContact CZ3-CG 4.02Å; W163-F172 HydrophobicContact CH2-CB 4.42Å; W163-F172 HydrophobicContact CH2-CD2 4.49Å; W163-F172 HydrophobicContact CH2-CG 4.35Å; W163-F172 HydrophobicContact CZ3-CB 4.29Å; W163-R188 HydrophobicContact CH2-CB 4.49Å; W163-R188 HydrophobicContact CH2-CG 4.25Å; W163-R188 HydrophobicContact CZ2-CG 3.99Å; W163-L191 HydrophobicContact CB-CB 4.37Å; W163-L191 HydrophobicContact CB-CD1 4.27Å; W163-L191 HydrophobicContact CB-CD2 4.45Å; W163-L191 HydrophobicContact CD2-CB 3.75Å; W163-L191 HydrophobicContact CD2-CD1 3.64Å; W163-L191 HydrophobicContact CD2-CG 4.3Å; W163-L191 HydrophobicContact CE3-CB 4.48Å; W163-L191 HydrophobicContact CE3-CD1 3.54Å; W163-L191 HydrophobicContact CG-CB 3.65Å; W163-L191 HydrophobicContact CG-CD1 3.96Å; W163-L191 HydrophobicContact CG-CG 4.28Å; W163-L191 HydrophobicContact CZ3-CD1 4.16Å; W163-N192 PolarHBondContact NE1-OD1 2.9Å
164	E	97.1	Very high	97.2	Very high	151 Å²	151	47.9 Å²	47.9	71%	0.706	24%	0.24	S	C	*	.	H	α-helix	trans	-61.4	-31.9	174.9	-77.4	-90.7	143.6	0	0	112.4	N160 E166 R169	N160-E164 VanDerWaalsContact O-CG 3.32Å; N160-E164 WeakPolarHBondContact O-CG 3.26Å; N160-E164 PolarHBondContact O-N 2.87Å; E164-E166 PolarHBondContact O-N 3.47Å; E164-R169 PolarHBondContact O-NH2 3.06Å
165	D	98.1	Very high	97.1	Very high	17 Å²	17	41.4 Å²	41.4	9%	0.091	21%	0.209	C	C	.	.	S	Bend	trans	-69.4	129.3	-176.6	-167.3	-82.3	0	0	0	112.4	W110 A111 G112 A118 I162 W163 S167 V168 R169	W110-D165 HydrophobicContact CZ3-CB 4.48Å; A111-D165 WeakPolarHBondContact CB-OD1 3.43Å; A111-D165 PolarHBondContact N-OD1 2.78Å; G112-D165 PolarHBondContact N-OD2 2.84Å; A118-D165 HydrophobicContact CB-CB 3.48Å; A118-D165 VanDerWaalsContact CB-CB 3.48Å; I162-D165 PolarHBondContact O-N 3.49Å; W163-D165 PolarHBondContact O-N 3.01Å; D165-S167 PolarHBondContact O-N 3.36Å; D165-S167 WeakPolarHBondContact OD1-CA 3.39Å; D165-S167 WeakPolarHBondContact OD1-CB 3.36Å; D165-S167 PolarHBondContact OD1-N 3.17Å; D165-S167 PolarHBondContact OD1-OG 3.25Å; D165-V168 HydrophobicContact CB-CG2 4.44Å; D165-V168 PolarHBondContact O-N 2.82Å; D165-V168 VanDerWaalsContact O-N 3.12Å; D165-R169 PolarHBondContact O-N 3.14Å
166	E	97.7	Very high	96.8	Very high	132 Å²	132	41.8 Å²	41.8	62%	0.617	21%	0.213	S	C	*	.	H	α-helix	trans	-60.9	-30.8	-177.7	-173	178.3	-179.4	0	0	112.5	A111 E164 V168 R169 L170	A111-E166 HydrophobicContact CB-CB 3.94Å; E164-E166 PolarHBondContact O-N 3.47Å; E166-V168 VanDerWaalsContact C-N 3.26Å; E166-V168 PolarHBondContact O-N 2.85Å; E166-R169 PolarHBondContact O-N 3.43Å; E166-L170 WeakPolarHBondContact O-CB 3.07Å; E166-L170 PolarHBondContact O-N 3.27Å
167	S	97.8	Very high	96.6	Very high	4 Å²	4	47.5 Å²	47.5	3%	0.028	24%	0.236	C	C	.	.	H	α-helix	trans	-64.6	-32.2	178.5	72.3	0	0	0	0	112.6	P109 D165 A171	P109-S167 WeakPolarHBondContact O-CB 3.48Å; D165-S167 PolarHBondContact O-N 3.36Å; D165-S167 WeakPolarHBondContact OD1-CA 3.39Å; D165-S167 WeakPolarHBondContact OD1-CB 3.36Å; D165-S167 PolarHBondContact OD1-N 3.17Å; D165-S167 PolarHBondContact OD1-OG 3.25Å; S167-A171 WeakPolarHBondContact O-CB 3.19Å; S167-A171 PolarHBondContact O-N 2.88Å
168	V	97.8	Very high	96.4	Very high	1 Å²	1	45 Å²	45	1%	0.006	22%	0.218	C	C	.	.	H	α-helix	trans	-77.1	-38.4	178.4	177.9	0	0	0	0	110.5	L99 W110 I162 W163 D165 E166 L170 A171 F172	L99-V168 HydrophobicContact CB-CG1 4.01Å; L99-V168 HydrophobicContact CD1-CG1 4.02Å; W110-V168 HydrophobicContact CH2-CG2 4.26Å; W110-V168 HydrophobicContact CZ3-CG2 3.71Å; I162-V168 HydrophobicContact CG2-CG1 4.08Å; I162-V168 HydrophobicContact CG2-CG2 3.89Å; I162-V168 WeakPolarHBondContact O-CB 3.44Å; I162-V168 VanDerWaalsContact O-CG2 3.3Å; I162-V168 WeakPolarHBondContact O-CG2 3.33Å; W163-V168 HydrophobicContact CE3-CG1 4.1Å; W163-V168 HydrophobicContact CZ3-CG1 4.45Å; D165-V168 HydrophobicContact CB-CG2 4.44Å; D165-V168 PolarHBondContact O-N 2.82Å; D165-V168 VanDerWaalsContact O-N 3.12Å; E166-V168 VanDerWaalsContact C-N 3.26Å; E166-V168 PolarHBondContact O-N 2.85Å; V168-L170 VanDerWaalsContact C-N 3.35Å; V168-A171 WeakPolarHBondContact O-CB 3.41Å; V168-A171 PolarHBondContact O-N 2.79Å; V168-F172 PolarHBondContact O-N 2.92Å
169	R	96.2	Very high	96.1	Very high	113 Å²	113	46.7 Å²	46.7	43%	0.426	23%	0.225	S	C	.	.	H	α-helix	trans	-63.5	-40.9	171.5	-70.9	-175.3	-85.8	135	-8	111.6	W163 E164 D165 E166 A171 F172 D173	W163-R169 HydrophobicContact CE3-CG 4.3Å; W163-R169 HydrophobicContact CH2-CG 4.03Å; W163-R169 HydrophobicContact CZ2-CG 4.33Å; W163-R169 HydrophobicContact CZ3-CG 4.02Å; E164-R169 PolarHBondContact O-NH2 3.06Å; D165-R169 PolarHBondContact O-N 3.14Å; E166-R169 PolarHBondContact O-N 3.43Å; R169-A171 VanDerWaalsContact C-N 3.35Å; R169-A171 PolarHBondContact O-N 3.22Å; R169-F172 WeakPolarHBondContact O-CB 3.34Å; R169-F172 PolarHBondContact O-N 2.75Å; R169-D173 PolarHBondContact O-N 2.65Å
170	L	96.2	Very high	95.7	Very high	72 Å²	72	46.8 Å²	46.8	38%	0.377	23%	0.226	S	C	.	.	H	α-helix	trans	-63.3	-39.6	173.1	-174.6	61.4	0	0	0	112.1	I108 E166 V168 F172 D173 Q174	I108-L170 HydrophobicContact CD1-CD2 4.37Å; I108-L170 HydrophobicContact CD1-CG 4.13Å; I108-L170 HydrophobicContact CG2-CD2 4Å; E166-L170 WeakPolarHBondContact O-CB 3.07Å; E166-L170 PolarHBondContact O-N 3.27Å; V168-L170 VanDerWaalsContact C-N 3.35Å; L170-F172 VanDerWaalsContact C-N 3.33Å; L170-D173 PolarHBondContact O-N 2.85Å; L170-Q174 HydrophobicContact CD1-CG 4.33Å; L170-Q174 VanDerWaalsContact CD1-NE2 3.33Å; L170-Q174 WeakPolarHBondContact O-CB 3.42Å; L170-Q174 WeakPolarHBondContact O-CG 3.45Å; L170-Q174 PolarHBondContact O-N 3.35Å
171	A	96.8	Very high	95.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63.5	-38.6	174	0	0	0	0	0	112	A102 R103 I108 S167 V168 R169 Q174 R175	A102-A171 HydrophobicContact CB-CB 4.4Å; R103-A171 HydrophobicContact CB-CB 3.86Å; I108-A171 HydrophobicContact CD1-CB 3.98Å; S167-A171 WeakPolarHBondContact O-CB 3.19Å; S167-A171 PolarHBondContact O-N 2.88Å; V168-A171 WeakPolarHBondContact O-CB 3.41Å; V168-A171 PolarHBondContact O-N 2.79Å; R169-A171 VanDerWaalsContact C-N 3.35Å; R169-A171 PolarHBondContact O-N 3.22Å; A171-Q174 PolarHBondContact O-N 3.39Å; A171-R175 PolarHBondContact O-N 2.99Å
172	F	95.5	Very high	94.4	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.009	25%	0.248	C	C	.	.	H	α-helix	trans	-60.6	-47.9	171.4	176	-84.6	0	0	0	111.1	L99 W163 V168 R169 L170 Q174 R175 F183 R188	L99-F172 HydrophobicContact CD2-CB 3.76Å; L99-F172 HydrophobicContact CD2-CD2 4.14Å; L99-F172 HydrophobicContact CD2-CG 4.45Å; W163-F172 HydrophobicContact CH2-CB 4.42Å; W163-F172 HydrophobicContact CH2-CD2 4.49Å; W163-F172 HydrophobicContact CH2-CG 4.35Å; W163-F172 HydrophobicContact CZ3-CB 4.29Å; V168-F172 PolarHBondContact O-N 2.92Å; R169-F172 WeakPolarHBondContact O-CB 3.34Å; R169-F172 PolarHBondContact O-N 2.75Å; L170-F172 VanDerWaalsContact C-N 3.33Å; F172-Q174 VanDerWaalsContact C-N 3.26Å; F172-Q174 PolarHBondContact O-N 3.42Å; F172-R175 VanDerWaalsContact CE1-NH1 3.27Å; F172-R175 VanDerWaalsContact O-CB 3.28Å; F172-R175 WeakPolarHBondContact O-CB 3.47Å; F172-R175 WeakPolarHBondContact O-CD 3.39Å; F172-R175 WeakPolarHBondContact O-CG 3.25Å; F172-R175 PolarHBondContact O-N 2.94Å; F172-R175 PolarHBondContact O-NH1 3.38Å; F172-F183 HydrophobicContact CD2-CE2 4.36Å; F172-F183 AromaticContact CD2-CZ 3.96Å; F172-F183 HydrophobicContact CD2-CZ 3.96Å; F172-F183 HydrophobicContact CE2-CE2 4.41Å; F172-F183 AromaticContact CE2-CZ 3.64Å; F172-F183 HydrophobicContact CE2-CZ 3.64Å; F172-R188 HydrophobicContact CD2-CB 4.36Å; F172-R188 HydrophobicContact CE1-CB 4.35Å; F172-R188 HydrophobicContact CE2-CB 3.55Å; F172-R188 HydrophobicContact CE2-CG 4.5Å; F172-R188 HydrophobicContact CZ-CB 3.57Å; F172-R188 HydrophobicContact CZ-CG 4.19Å
173	D	93.5	Very high	94	Very high	92 Å²	92	52 Å²	52	49%	0.492	25%	0.248	S	C	.	.	H	α-helix	trans	-65.2	-30.5	-178.5	-70.3	-23.4	0	0	0	112.9	R169 L170	R169-D173 PolarHBondContact O-N 2.65Å; L170-D173 PolarHBondContact O-N 2.85Å
174	Q	94	Very high	93.5	Very high	50 Å²	50	52.2 Å²	52.2	23%	0.234	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	6.2	178.9	-63.8	-168	39	0	0	114.2	L106 L170 A171 F172 S176 K177	L106-Q174 HydrophobicContact CD1-CB 3.71Å; L170-Q174 HydrophobicContact CD1-CG 4.33Å; L170-Q174 VanDerWaalsContact CD1-NE2 3.33Å; L170-Q174 WeakPolarHBondContact O-CB 3.42Å; L170-Q174 WeakPolarHBondContact O-CG 3.45Å; L170-Q174 PolarHBondContact O-N 3.35Å; A171-Q174 PolarHBondContact O-N 3.39Å; F172-Q174 VanDerWaalsContact C-N 3.26Å; F172-Q174 PolarHBondContact O-N 3.42Å; Q174-S176 PolarHBondContact O-N 2.86Å; Q174-S176 VanDerWaalsContact O-N 3.07Å; Q174-K177 HydrophobicContact CB-CD 4.16Å; Q174-K177 VanDerWaalsContact O-CB 3.29Å; Q174-K177 WeakPolarHBondContact O-CB 3.25Å; Q174-K177 WeakPolarHBondContact O-CG 3.29Å; Q174-K177 PolarHBondContact O-N 3.29Å
175	R	94.2	Very high	93	Very high	18 Å²	18	46 Å²	46	7%	0.068	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-57	-27.3	-172.5	70.8	-168.4	177.9	-77.7	4.8	115.1	F98 A171 F172 K177 I178 T180 F183 E185	F98-R175 HydrophobicContact CE1-CB 4.33Å; A171-R175 PolarHBondContact O-N 2.99Å; F172-R175 VanDerWaalsContact CE1-NH1 3.27Å; F172-R175 VanDerWaalsContact O-CB 3.28Å; F172-R175 WeakPolarHBondContact O-CB 3.47Å; F172-R175 WeakPolarHBondContact O-CD 3.39Å; F172-R175 WeakPolarHBondContact O-CG 3.25Å; F172-R175 PolarHBondContact O-N 2.94Å; F172-R175 PolarHBondContact O-NH1 3.38Å; R175-K177 PolarHBondContact O-N 2.84Å; R175-I178 WeakPolarHBondContact O-CG1 3.49Å; R175-I178 PolarHBondContact O-N 2.78Å; R175-T180 WeakPolarHBondContact O-CG2 3.36Å; R175-F183 VanDerWaalsContact CD-CZ 3.46Å; R175-E185 IonicContact CZ-OE2 3.65Å; R175-E185 IonicContact NE-OE2 2.88Å; R175-E185 PolarHBondContact NE-OE2 3.37Å; R175-E185 IonicContact NH2-OE1 3.18Å; R175-E185 PolarHBondContact NH2-OE1 3Å; R175-E185 IonicContact NH2-OE2 2.88Å; R175-E185 PolarHBondContact NH2-OE2 3.26Å
176	S	93.1	Very high	92.8	Very high	20 Å²	20	45.3 Å²	45.3	14%	0.14	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-68.7	-15.6	177.5	52.7	0	0	0	0	113.3	Q174 I178 D266	Q174-S176 PolarHBondContact O-N 2.86Å; Q174-S176 VanDerWaalsContact O-N 3.07Å; S176-I178 PolarHBondContact O-N 2.83Å; S176-D266 WeakPolarHBondContact CB-O 3.24Å; S176-D266 WeakPolarHBondContact CB-OD2 3.27Å; S176-D266 PolarHBondContact OG-OD2 2.81Å
177	K	93.3	Very high	92.8	Very high	132 Å²	132	39.1 Å²	39.1	57%	0.574	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-73.9	-7.1	174.8	-60	-177.3	-174.1	177.7	0	113.7	L106 Q174 R175	L106-K177 HydrophobicContact CD2-CB 3.92Å; L106-K177 HydrophobicContact CD2-CD 4.35Å; Q174-K177 HydrophobicContact CB-CD 4.16Å; Q174-K177 VanDerWaalsContact O-CB 3.29Å; Q174-K177 WeakPolarHBondContact O-CB 3.25Å; Q174-K177 WeakPolarHBondContact O-CG 3.29Å; Q174-K177 PolarHBondContact O-N 3.29Å; R175-K177 PolarHBondContact O-N 2.84Å
178	I	93.6	Very high	92.7	Very high	32 Å²	32	42.4 Å²	42.4	16%	0.164	20%	0.204	C	C	.	.	S	Bend	trans	-126.3	174.8	177.2	64.8	164	0	0	0	110.7	F98 A102 L106 R175 S176 T180	F98-I178 HydrophobicContact CE1-CD1 4.23Å; F98-I178 HydrophobicContact CE2-CD1 4.29Å; F98-I178 HydrophobicContact CZ-CD1 3.68Å; F98-I178 HydrophobicContact CZ-CG1 4.21Å; A102-I178 HydrophobicContact CB-CD1 3.44Å; A102-I178 VanDerWaalsContact CB-CD1 3.44Å; L106-I178 HydrophobicContact CD2-CG2 3.84Å; L106-I178 HydrophobicContact CG-CG2 4.05Å; R175-I178 WeakPolarHBondContact O-CG1 3.49Å; R175-I178 PolarHBondContact O-N 2.78Å; S176-I178 PolarHBondContact O-N 2.83Å; I178-T180 WeakPolarHBondContact O-CG2 3.38Å; I178-T180 PolarHBondContact O-N 3.32Å
179	I	93	Very high	92.7	Very high	51 Å²	51	43.5 Å²	43.5	26%	0.262	21%	0.208	S	C	.	.	B	Isolated β-bridge	trans	-69.2	123.3	176.8	-65.6	-63.2	0	0	0	111.6	F98 E181 H268 F277	F98-I179 WeakPolarHBondContact CE2-O 3.29Å; I179-E181 HydrophobicContact CG2-CB 4.07Å; I179-H268 HydrophobicContact CD1-CB 3.86Å; I179-F277 HydrophobicContact CD1-CD1 3.31Å; I179-F277 HydrophobicContact CD1-CE1 3.5Å; I179-F277 HydrophobicContact CG1-CD1 4.03Å; I179-F277 HydrophobicContact CG1-CE1 3.65Å
180	T	90.7	Very high	92.8	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	19%	0.188	C	C	.	.			trans	-104.9	24.5	-174.9	64.8	0	0	0	0	113.5	R175 I178 N182 F183 E267 H268 K280	R175-T180 WeakPolarHBondContact O-CG2 3.36Å; I178-T180 WeakPolarHBondContact O-CG2 3.38Å; I178-T180 PolarHBondContact O-N 3.32Å; T180-N182 VanDerWaalsContact C-N 3.28Å; T180-N182 PolarHBondContact O-N 2.84Å; T180-F183 PolarHBondContact O-N 2.8Å; T180-E267 HydrophobicContact CG2-CG 4.35Å; T180-E267 PolarHBondContact OG1-OE2 3.26Å; T180-H268 PolarHBondContact N-O 3.15Å; T180-K280 PolarHBondContact O-NZ 3.37Å; T180-K280 WeakPolarHBondContact OG1-CE 3.23Å; T180-K280 PolarHBondContact OG1-NZ 2.89Å
181	E	84.6	Confident	92.9	Very high	55 Å²	55	35 Å²	35	26%	0.257	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-33.1	-176.7	-168.5	-170.8	164.8	0	0	113.2	I179 R272	I179-E181 HydrophobicContact CG2-CB 4.07Å; E181-R272 IonicContact OE1-CZ 2.68Å; E181-R272 VanDerWaalsContact OE1-CZ 3.28Å; E181-R272 IonicContact OE1-NE 3.57Å; E181-R272 PolarHBondContact OE1-NE 3.03Å; E181-R272 IonicContact OE1-NH2 2.82Å; E181-R272 PolarHBondContact OE1-NH2 3.12Å
182	N	82.1	Confident	92.9	Very high	121 Å²	121	40 Å²	40	65%	0.647	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108	9.2	-177.6	-61.4	-50.5	0	0	0	113.3	T180	T180-N182 VanDerWaalsContact C-N 3.28Å; T180-N182 PolarHBondContact O-N 2.84Å
183	F	90.1	Very high	93	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.018	21%	0.207	C	C	.	.			trans	-96.6	137.6	-178.6	178.2	-102.1	0	0	0	111.1	F98 L99 F172 R175 T180 E185 T187	F98-F183 HydrophobicContact CB-CD2 4.5Å; F98-F183 HydrophobicContact CD1-CB 3.9Å; F98-F183 AromaticContact CD1-CD2 3.25Å; F98-F183 HydrophobicContact CD1-CD2 3.25Å; F98-F183 HydrophobicContact CD1-CE2 4.09Å; F98-F183 AromaticContact CD1-CG 3.87Å; F98-F183 HydrophobicContact CD1-CG 3.87Å; F98-F183 HydrophobicContact CD2-CB 3.94Å; F98-F183 HydrophobicContact CE1-CB 3.69Å; F98-F183 AromaticContact CE1-CD2 3.52Å; F98-F183 HydrophobicContact CE1-CD2 3.52Å; F98-F183 HydrophobicContact CE1-CE2 4.36Å; F98-F183 AromaticContact CE1-CG 3.71Å; F98-F183 HydrophobicContact CE1-CG 3.71Å; F98-F183 HydrophobicContact CE2-CB 3.74Å; F98-F183 HydrophobicContact CG-CB 4.02Å; F98-F183 AromaticContact CG-CD2 3.89Å; F98-F183 HydrophobicContact CG-CD2 3.89Å; F98-F183 HydrophobicContact CG-CG 4.4Å; F98-F183 HydrophobicContact CZ-CB 3.61Å; F98-F183 HydrophobicContact CZ-CD2 4.33Å; F98-F183 HydrophobicContact CZ-CG 4.12Å; L99-F183 HydrophobicContact CD2-CE2 4.39Å; F172-F183 HydrophobicContact CD2-CE2 4.36Å; F172-F183 AromaticContact CD2-CZ 3.96Å; F172-F183 HydrophobicContact CD2-CZ 3.96Å; F172-F183 HydrophobicContact CE2-CE2 4.41Å; F172-F183 AromaticContact CE2-CZ 3.64Å; F172-F183 HydrophobicContact CE2-CZ 3.64Å; R175-F183 VanDerWaalsContact CD-CZ 3.46Å; T180-F183 PolarHBondContact O-N 2.8Å; F183-E185 HydrophobicContact CE1-CG 4.48Å; F183-T187 HydrophobicContact CE2-CG2 4.33Å; F183-T187 WeakPolarHBondContact CE2-OG1 3.12Å
184	S	88.5	Confident	93.2	Very high	29 Å²	29	38.1 Å²	38.1	20%	0.203	18%	0.184	C	C	.	.			trans	-118.9	134.1	172.3	-164.4	0	0	0	0	111.1	N186 T187	S184-N186 VanDerWaalsContact CB-OD1 3.28Å; S184-N186 WeakPolarHBondContact CB-OD1 3.38Å; S184-N186 PolarHBondContact O-N 2.96Å; S184-N186 PolarHBondContact OG-OD1 2.9Å; S184-T187 WeakPolarHBondContact O-CB 3.32Å; S184-T187 PolarHBondContact O-N 3.01Å; S184-T187 PolarHBondContact O-OG1 3.42Å
185	E	86.1	Confident	93.3	Very high	20 Å²	20	41.3 Å²	41.3	9%	0.093	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-16.5	178.4	-61.8	-75.7	-158.1	0	0	113.2	R175 F183 T187 I311	R175-E185 IonicContact CZ-OE2 3.65Å; R175-E185 IonicContact NE-OE2 2.88Å; R175-E185 PolarHBondContact NE-OE2 3.37Å; R175-E185 IonicContact NH2-OE1 3.18Å; R175-E185 PolarHBondContact NH2-OE1 3Å; R175-E185 IonicContact NH2-OE2 2.88Å; R175-E185 PolarHBondContact NH2-OE2 3.26Å; F183-E185 HydrophobicContact CE1-CG 4.48Å; E185-T187 PolarHBondContact O-N 3.43Å; E185-I311 HydrophobicContact CB-CD1 3.69Å; E185-I311 HydrophobicContact CG-CD1 3.69Å
186	N	95	Very high	93.4	Very high	3 Å²	3	47 Å²	47	2%	0.016	23%	0.229	C	C	.	.	H	α-helix	trans	-68.9	-13.3	174.7	70.1	7.4	0	0	0	114	N91 S184 R188 Y189 Y190 W211 R213	N91-N186 PolarHBondContact OD1-ND2 3.37Å; S184-N186 VanDerWaalsContact CB-OD1 3.28Å; S184-N186 WeakPolarHBondContact CB-OD1 3.38Å; S184-N186 PolarHBondContact O-N 2.96Å; S184-N186 PolarHBondContact OG-OD1 2.9Å; N186-R188 PolarHBondContact O-N 3.24Å; N186-Y189 WeakPolarHBondContact O-CB 3.49Å; N186-Y189 PolarHBondContact O-N 3.33Å; N186-Y189 VanDerWaalsContact O-N 3.13Å; N186-Y190 HydrophobicContact CB-CD2 4.07Å; N186-Y190 HydrophobicContact CB-CE2 3.81Å; N186-Y190 WeakPolarHBondContact O-CD2 3.5Å; N186-Y190 PolarHBondContact O-N 2.93Å; N186-W211 HydrophobicContact CB-CB 4.32Å; N186-W211 HydrophobicContact CB-CE3 3.7Å; N186-W211 HydrophobicContact CB-CZ3 4.44Å; N186-W211 VanDerWaalsContact CB-O 3.32Å; N186-W211 WeakPolarHBondContact CB-O 3.32Å; N186-W211 PolarHBondContact ND2-O 2.99Å; N186-R213 WeakPolarHBondContact ND2-CB 3.45Å
187	T	96.4	Very high	93.7	Very high	1 Å²	1	46 Å²	46	1%	0.006	22%	0.223	C	C	.	.	H	α-helix	trans	-55.1	-50.4	-178.1	-58	0	0	0	0	111.2	G95 L99 F183 S184 E185 Y189 Y190 L191	G95-T187 WeakPolarHBondContact CA-OG1 3.22Å; L99-T187 HydrophobicContact CD1-CG2 3.81Å; L99-T187 HydrophobicContact CG-CG2 4.41Å; F183-T187 HydrophobicContact CE2-CG2 4.33Å; F183-T187 WeakPolarHBondContact CE2-OG1 3.12Å; S184-T187 WeakPolarHBondContact O-CB 3.32Å; S184-T187 PolarHBondContact O-N 3.01Å; S184-T187 PolarHBondContact O-OG1 3.42Å; E185-T187 PolarHBondContact O-N 3.43Å; T187-Y189 VanDerWaalsContact C-N 3.34Å; T187-Y189 PolarHBondContact O-N 3.37Å; T187-Y190 PolarHBondContact O-N 3.28Å; T187-L191 HydrophobicContact CG2-CD1 3.69Å; T187-L191 HydrophobicContact CG2-CG 4.35Å; T187-L191 WeakPolarHBondContact O-CB 3.3Å; T187-L191 VanDerWaalsContact O-CG 3.3Å; T187-L191 WeakPolarHBondContact O-CG 3.3Å; T187-L191 PolarHBondContact O-N 3.44Å
188	R	96.2	Very high	93.9	Very high	74 Å²	74	40.5 Å²	40.5	28%	0.279	20%	0.203	S	C	.	.	H	α-helix	trans	-63.9	-39.4	178.7	-177.9	177.9	68.2	-178.2	3.4	112	W163 F172 N186 N192 E314	W163-R188 HydrophobicContact CH2-CB 4.49Å; W163-R188 HydrophobicContact CH2-CG 4.25Å; W163-R188 HydrophobicContact CZ2-CG 3.99Å; F172-R188 HydrophobicContact CD2-CB 4.36Å; F172-R188 HydrophobicContact CE1-CB 4.35Å; F172-R188 HydrophobicContact CE2-CB 3.55Å; F172-R188 HydrophobicContact CE2-CG 4.5Å; F172-R188 HydrophobicContact CZ-CB 3.57Å; F172-R188 HydrophobicContact CZ-CG 4.19Å; N186-R188 PolarHBondContact O-N 3.24Å; R188-N192 VanDerWaalsContact O-CB 3.31Å; R188-N192 WeakPolarHBondContact O-CB 2.96Å; R188-N192 PolarHBondContact O-N 3.15Å; R188-N192 VanDerWaalsContact O-N 3.08Å; R188-N192 PolarHBondContact O-ND2 3.1Å; R188-E314 IonicContact CZ-OE2 2.78Å; R188-E314 IonicContact NH1-OE2 2.84Å; R188-E314 PolarHBondContact NH1-OE2 2.89Å; R188-E314 VanDerWaalsContact NH2-CD 3.29Å; R188-E314 IonicContact NH2-OE1 2.7Å; R188-E314 PolarHBondContact NH2-OE1 3.04Å; R188-E314 VanDerWaalsContact NH2-OE1 3.08Å; R188-E314 IonicContact NH2-OE2 2.8Å; R188-E314 PolarHBondContact NH2-OE2 3.1Å
189	Y	97.3	Very high	94.1	Very high	24 Å²	24	42 Å²	42	9%	0.094	21%	0.214	C	C	.	.	H	α-helix	trans	-59.4	-50.3	178.5	170	-94	0	0	0	111.4	N186 T187 R193 E207 D208 W211	N186-Y189 WeakPolarHBondContact O-CB 3.49Å; N186-Y189 PolarHBondContact O-N 3.33Å; N186-Y189 VanDerWaalsContact O-N 3.13Å; T187-Y189 VanDerWaalsContact C-N 3.34Å; T187-Y189 PolarHBondContact O-N 3.37Å; Y189-R193 PolarHBondContact O-N 3.3Å; Y189-R193 PolarHBondContact OH-NE 3.37Å; Y189-R193 PolarHBondContact OH-NH1 2.82Å; Y189-R193 VanDerWaalsContact OH-NH1 3.1Å; Y189-R193 PolarHBondContact OH-NH2 3.39Å; Y189-E207 HydrophobicContact CE2-CG 4.2Å; Y189-E207 WeakPolarHBondContact CE2-OE1 3.42Å; Y189-E207 WeakPolarHBondContact OH-CB 3.27Å; Y189-E207 VanDerWaalsContact OH-CD 3.3Å; Y189-E207 WeakPolarHBondContact OH-CG 3.46Å; Y189-D208 PolarHBondContact OH-N 3.03Å; Y189-D208 PolarHBondContact OH-OD1 2.71Å; Y189-W211 HydrophobicContact CD1-CB 3.68Å; Y189-W211 AromaticContact CD1-CD1 3.64Å; Y189-W211 AromaticContact CD1-CD2 3.95Å; Y189-W211 HydrophobicContact CD1-CD2 3.95Å; Y189-W211 AromaticContact CD1-CG 3.48Å; Y189-W211 HydrophobicContact CD1-CG 3.48Å; Y189-W211 VanDerWaalsContact CD1-CG 3.48Å; Y189-W211 AromaticContact CD2-CD1 3.64Å; Y189-W211 HydrophobicContact CD2-CD2 4.02Å; Y189-W211 AromaticContact CD2-CE2 3.57Å; Y189-W211 HydrophobicContact CD2-CG 4.06Å; Y189-W211 HydrophobicContact CD2-CZ2 4.1Å; Y189-W211 AromaticContact CD2-NE1 3.34Å; Y189-W211 VanDerWaalsContact CD2-NE1 3.34Å; Y189-W211 HydrophobicContact CE1-CB 3.8Å; Y189-W211 AromaticContact CE1-CD1 3.43Å; Y189-W211 VanDerWaalsContact CE1-CD1 3.43Å; Y189-W211 AromaticContact CE1-CG 3.66Å; Y189-W211 HydrophobicContact CE1-CG 3.66Å; Y189-W211 AromaticContact CE2-CD1 3.42Å; Y189-W211 VanDerWaalsContact CE2-CD1 3.42Å; Y189-W211 HydrophobicContact CE2-CG 4.2Å; Y189-W211 AromaticContact CE2-NE1 3.31Å; Y189-W211 VanDerWaalsContact CE2-NE1 3.31Å; Y189-W211 HydrophobicContact CG-CB 4.35Å; Y189-W211 AromaticContact CG-CD1 3.73Å; Y189-W211 AromaticContact CG-CD2 3.67Å; Y189-W211 HydrophobicContact CG-CD2 3.67Å; Y189-W211 AromaticContact CG-CE2 3.73Å; Y189-W211 HydrophobicContact CG-CE3 4.29Å; Y189-W211 AromaticContact CG-CG 3.69Å; Y189-W211 HydrophobicContact CG-CG 3.69Å; Y189-W211 HydrophobicContact CG-CZ2 4.36Å; Y189-W211 AromaticContact CG-NE1 3.77Å; Y189-W211 AromaticContact CZ-CD1 3.28Å; Y189-W211 AromaticContact CZ-CG 3.99Å; Y189-W211 AromaticContact CZ-NE1 3.73Å
190	Y	98.3	Very high	94.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-72.8	-39.9	-177.7	-67.2	-53.3	0	0	0	113.1	I88 N91 I92 N186 T187 N192 R193 L194 I197 D208 W211 S212	I88-Y190 HydrophobicContact CG1-CE1 4.14Å; I88-Y190 HydrophobicContact CG2-CD1 4.04Å; I88-Y190 HydrophobicContact CG2-CE1 3.8Å; N91-Y190 HydrophobicContact CB-CD2 4.36Å; N91-Y190 HydrophobicContact CB-CE2 4.09Å; I92-Y190 HydrophobicContact CD1-CG 4.31Å; I92-Y190 VanDerWaalsContact CG1-CB 3.43Å; I92-Y190 HydrophobicContact CG1-CD2 4.15Å; I92-Y190 HydrophobicContact CG1-CG 3.92Å; N186-Y190 HydrophobicContact CB-CD2 4.07Å; N186-Y190 HydrophobicContact CB-CE2 3.81Å; N186-Y190 WeakPolarHBondContact O-CD2 3.5Å; N186-Y190 PolarHBondContact O-N 2.93Å; T187-Y190 PolarHBondContact O-N 3.28Å; Y190-N192 VanDerWaalsContact C-N 3.32Å; Y190-N192 PolarHBondContact O-N 2.88Å; Y190-R193 CarbonylContact O-C 3.29Å; Y190-R193 VanDerWaalsContact O-C 3.29Å; Y190-R193 WeakPolarHBondContact O-CA 3.43Å; Y190-R193 PolarHBondContact O-N 3.03Å; Y190-L194 PolarHBondContact O-N 3.42Å; Y190-I197 HydrophobicContact CD1-CD1 3.6Å; Y190-I197 HydrophobicContact CE1-CD1 4.47Å; Y190-I197 HydrophobicContact CG-CD1 4.35Å; Y190-D208 HydrophobicContact CE1-CB 4.24Å; Y190-D208 PolarHBondContact OH-O 3.26Å; Y190-W211 HydrophobicContact CE1-CB 4.24Å; Y190-W211 HydrophobicContact CE2-CB 4.41Å; Y190-S212 WeakPolarHBondContact OH-CA 3.48Å; Y190-S212 WeakPolarHBondContact OH-CB 3.44Å; Y190-S212 PolarHBondContact OH-N 2.75Å
191	L	97.9	Very high	94.5	Very high	5 Å²	5	53 Å²	53	3%	0.026	27%	0.269	C	S	.	.	H	α-helix	trans	-64.2	-38	178.8	-70.2	176.9	0	0	0	112.1	I92 V96 L99 W163 T187 R193 L194	I92-L191 HydrophobicContact CG2-CD2 3.98Å; V96-L191 HydrophobicContact CG2-CD1 4Å; V96-L191 HydrophobicContact CG2-CD2 3.69Å; V96-L191 HydrophobicContact CG2-CG 4.42Å; L99-L191 HydrophobicContact CD1-CD1 4.12Å; W163-L191 HydrophobicContact CB-CB 4.37Å; W163-L191 HydrophobicContact CB-CD1 4.27Å; W163-L191 HydrophobicContact CB-CD2 4.45Å; W163-L191 HydrophobicContact CD2-CB 3.75Å; W163-L191 HydrophobicContact CD2-CD1 3.64Å; W163-L191 HydrophobicContact CD2-CG 4.3Å; W163-L191 HydrophobicContact CE3-CB 4.48Å; W163-L191 HydrophobicContact CE3-CD1 3.54Å; W163-L191 HydrophobicContact CG-CB 3.65Å; W163-L191 HydrophobicContact CG-CD1 3.96Å; W163-L191 HydrophobicContact CG-CG 4.28Å; W163-L191 HydrophobicContact CZ3-CD1 4.16Å; T187-L191 HydrophobicContact CG2-CD1 3.69Å; T187-L191 HydrophobicContact CG2-CG 4.35Å; T187-L191 WeakPolarHBondContact O-CB 3.3Å; T187-L191 VanDerWaalsContact O-CG 3.3Å; T187-L191 WeakPolarHBondContact O-CG 3.3Å; T187-L191 PolarHBondContact O-N 3.44Å; L191-R193 PolarHBondContact O-N 3.04Å; L191-R193 VanDerWaalsContact O-N 3.16Å; L191-L194 HydrophobicContact CD2-CD2 4.37Å; L191-L194 WeakPolarHBondContact O-CB 3.33Å; L191-L194 PolarHBondContact O-N 3.06Å
192	N	97.5	Very high	95.1	Very high	105 Å²	105	51.2 Å²	51.2	56%	0.561	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-15.3	172.8	-73.3	-5.6	0	0	0	113.7	W163 R188 Y190	W163-N192 PolarHBondContact NE1-OD1 2.9Å; R188-N192 VanDerWaalsContact O-CB 3.31Å; R188-N192 WeakPolarHBondContact O-CB 2.96Å; R188-N192 PolarHBondContact O-N 3.15Å; R188-N192 VanDerWaalsContact O-N 3.08Å; R188-N192 PolarHBondContact O-ND2 3.1Å; Y190-N192 VanDerWaalsContact C-N 3.32Å; Y190-N192 PolarHBondContact O-N 2.88Å
193	R	97.6	Very high	95.8	Very high	55 Å²	55	52 Å²	52	21%	0.208	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	14.1	180	-68.3	170.7	62.8	132.6	-11.5	112.2	Y189 Y190 L191 N195 H196 I197 T205 E207 D208	Y189-R193 PolarHBondContact O-N 3.3Å; Y189-R193 PolarHBondContact OH-NE 3.37Å; Y189-R193 PolarHBondContact OH-NH1 2.82Å; Y189-R193 VanDerWaalsContact OH-NH1 3.1Å; Y189-R193 PolarHBondContact OH-NH2 3.39Å; Y190-R193 CarbonylContact O-C 3.29Å; Y190-R193 VanDerWaalsContact O-C 3.29Å; Y190-R193 WeakPolarHBondContact O-CA 3.43Å; Y190-R193 PolarHBondContact O-N 3.03Å; L191-R193 PolarHBondContact O-N 3.04Å; L191-R193 VanDerWaalsContact O-N 3.16Å; R193-N195 PolarHBondContact O-N 3.45Å; R193-H196 WeakPolarHBondContact O-CB 3.39Å; R193-H196 PolarHBondContact O-N 3.1Å; R193-I197 HydrophobicContact CB-CD1 4.01Å; R193-I197 WeakPolarHBondContact O-CG1 3.4Å; R193-I197 PolarHBondContact O-N 3.2Å; R193-I197 VanDerWaalsContact O-N 3.14Å; R193-T205 PolarHBondContact NH2-OG1 2.97Å; R193-E207 IonicContact CZ-OE2 3.46Å; R193-E207 IonicContact NH1-OE1 2.85Å; R193-E207 IonicContact NH1-OE2 2.81Å; R193-E207 PolarHBondContact NH1-OE2 3.11Å; R193-E207 IonicContact NH2-OE2 2.67Å; R193-D208 IonicContact CZ-OD1 3.45Å; R193-D208 IonicContact NE-OD1 3.4Å; R193-D208 PolarHBondContact NE-OD1 3.5Å; R193-D208 IonicContact NH2-OD1 2.75Å; R193-D208 PolarHBondContact NH2-OD1 3.25Å; R193-D208 IonicContact NH2-OD2 3.67Å
194	L	97.7	Very high	96.2	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-61.4	-32.1	-173.1	-173.1	56.7	0	0	0	112	I92 F152 V156 L159 N160 Y190 L191 H196 I197 G198	I92-L194 HydrophobicContact CD1-CD1 4.36Å; I92-L194 HydrophobicContact CG2-CD1 4.42Å; F152-L194 HydrophobicContact CE1-CD1 4.42Å; F152-L194 HydrophobicContact CZ-CD1 4.22Å; V156-L194 HydrophobicContact CG1-CD1 4.44Å; V156-L194 HydrophobicContact CG1-CD2 4.41Å; V156-L194 HydrophobicContact CG1-CG 4.14Å; V156-L194 HydrophobicContact CG2-CD1 4.39Å; L159-L194 HydrophobicContact CB-CD2 3.57Å; L159-L194 HydrophobicContact CD1-CD2 4.48Å; N160-L194 HydrophobicContact CB-CD2 4.42Å; N160-L194 WeakPolarHBondContact OD1-CD2 3.25Å; Y190-L194 PolarHBondContact O-N 3.42Å; L191-L194 HydrophobicContact CD2-CD2 4.37Å; L191-L194 WeakPolarHBondContact O-CB 3.33Å; L191-L194 PolarHBondContact O-N 3.06Å; L194-H196 PolarHBondContact O-N 3.16Å; L194-I197 PolarHBondContact O-N 2.85Å; L194-G198 WeakPolarHBondContact O-CA 3.02Å; L194-G198 PolarHBondContact O-N 3.35Å
195	N	96.4	Very high	96.5	Very high	117 Å²	117	53.3 Å²	53.3	63%	0.626	26%	0.261	S	S	*	.	H	α-helix	trans	-65	-18.5	173.9	-65.6	-22.4	0	0	0	114.4	N160 R193 V199	N160-N195 PolarHBondContact ND2-OD1 3.02Å; N160-N195 VanDerWaalsContact ND2-OD1 3.12Å; R193-N195 PolarHBondContact O-N 3.45Å; N195-V199 VanDerWaalsContact O-CG1 3.32Å; N195-V199 WeakPolarHBondContact O-CG1 3.5Å
196	H	97	Very high	97	Very high	136 Å²	136	56.2 Å²	56.2	63%	0.63	28%	0.277	S	S	*	.	H	α-helix	trans	-98.1	-23.4	174.5	-62.3	-65.8	0	0	0	112.9	R193 L194 V199 Y202	R193-H196 WeakPolarHBondContact O-CB 3.39Å; R193-H196 PolarHBondContact O-N 3.1Å; L194-H196 PolarHBondContact O-N 3.16Å; H196-V199 WeakPolarHBondContact O-CG2 3.4Å; H196-Y202 WeakPolarHBondContact O-CD2 3.45Å
197	I	97.8	Very high	97	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-93.6	-38.2	-176.4	-63.9	167.9	0	0	0	111.3	I88 Y89 I92 F152 Y190 R193 L194 V199 Y202	I88-I197 HydrophobicContact CG2-CG2 4.2Å; Y89-I197 HydrophobicContact CD1-CG2 4.28Å; Y89-I197 HydrophobicContact CE1-CG2 3.88Å; I92-I197 HydrophobicContact CD1-CD1 4.27Å; I92-I197 HydrophobicContact CD1-CG2 3.78Å; F152-I197 HydrophobicContact CE1-CG2 4.42Å; Y190-I197 HydrophobicContact CD1-CD1 3.6Å; Y190-I197 HydrophobicContact CE1-CD1 4.47Å; Y190-I197 HydrophobicContact CG-CD1 4.35Å; R193-I197 HydrophobicContact CB-CD1 4.01Å; R193-I197 WeakPolarHBondContact O-CG1 3.4Å; R193-I197 PolarHBondContact O-N 3.2Å; R193-I197 VanDerWaalsContact O-N 3.14Å; L194-I197 PolarHBondContact O-N 2.85Å; I197-V199 PolarHBondContact O-N 3.48Å; I197-V199 VanDerWaalsContact O-N 3.13Å; I197-Y202 HydrophobicContact CB-CE1 4.42Å; I197-Y202 HydrophobicContact CB-CE2 4.34Å; I197-Y202 HydrophobicContact CG1-CE1 4.46Å; I197-Y202 HydrophobicContact CG1-CE2 3.94Å; I197-Y202 HydrophobicContact CG2-CD1 4Å; I197-Y202 HydrophobicContact CG2-CE1 3.74Å; I197-Y202 HydrophobicContact CG2-CG 4.48Å; I197-Y202 VanDerWaalsContact O-CB 3.3Å; I197-Y202 WeakPolarHBondContact O-CB 3.46Å
198	G	97.5	Very high	97	Very high	16 Å²	16	60.7 Å²	60.7	17%	0.165	30%	0.297	C	S	.	.	S	Bend	trans	-85	45.2	-179.8	0	0	0	0	0	113	L153 L194	L153-G198 WeakPolarHBondContact CD2-O 3.5Å; L194-G198 WeakPolarHBondContact O-CA 3.02Å; L194-G198 PolarHBondContact O-N 3.35Å
199	V	97.5	Very high	97.1	Very high	65 Å²	65	57.1 Å²	57.1	39%	0.394	28%	0.284	S	S	.	.	S	Bend	trans	-123.8	152.6	175.9	-59.5	0	0	0	0	110.1	N195 H196 I197 Y202	N195-V199 VanDerWaalsContact O-CG1 3.32Å; N195-V199 WeakPolarHBondContact O-CG1 3.5Å; H196-V199 WeakPolarHBondContact O-CG2 3.4Å; I197-V199 PolarHBondContact O-N 3.48Å; I197-V199 VanDerWaalsContact O-N 3.13Å; V199-Y202 WeakPolarHBondContact O-CB 3.48Å; V199-Y202 PolarHBondContact O-N 2.68Å
200	E	97.3	Very high	97	Very high	150 Å²	150	56.1 Å²	56.1	70%	0.701	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	139.4	175.4	-67.1	-178.5	-176.8	0	0	111.7	L153 Y202	L153-E200 HydrophobicContact CD1-CG 3.8Å; E200-Y202 PolarHBondContact O-N 3.42Å
201	N	95.7	Very high	97	Very high	133 Å²	133	58.3 Å²	58.3	71%	0.711	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	27.6	-178.7	-52.2	-73.4	0	0	0	113.2	E149 R203	E149-N201 WeakPolarHBondContact OE1-CA 3.28Å; E149-N201 PolarHBondContact OE1-N 3.19Å; N201-R203 PolarHBondContact O-N 2.81Å
202	Y	97.6	Very high	96.9	Very high	16 Å²	16	58.2 Å²	58.2	6%	0.063	29%	0.288	C	S	.	.			trans	-54.3	129.3	173.1	164.8	-113.3	0	0	0	110.4	K85 Y89 E149 H196 I197 V199 E200 P204 D208	K85-Y202 HydrophobicContact CD-CD1 4.49Å; K85-Y202 WeakPolarHBondContact CD-O 3.4Å; K85-Y202 VanDerWaalsContact CE-O 3.27Å; K85-Y202 WeakPolarHBondContact CE-O 3.4Å; K85-Y202 HydrophobicContact CG-CD1 4.17Å; K85-Y202 HydrophobicContact CG-CE1 4.47Å; K85-Y202 PolarHBondContact NZ-O 3.16Å; Y89-Y202 AromaticContact CE1-CD1 3.99Å; Y89-Y202 HydrophobicContact CE1-CD1 3.99Å; Y89-Y202 HydrophobicContact CE1-CE1 4.41Å; E149-Y202 PolarHBondContact OE1-N 3.42Å; H196-Y202 WeakPolarHBondContact O-CD2 3.45Å; I197-Y202 HydrophobicContact CB-CE1 4.42Å; I197-Y202 HydrophobicContact CB-CE2 4.34Å; I197-Y202 HydrophobicContact CG1-CE1 4.46Å; I197-Y202 HydrophobicContact CG1-CE2 3.94Å; I197-Y202 HydrophobicContact CG2-CD1 4Å; I197-Y202 HydrophobicContact CG2-CE1 3.74Å; I197-Y202 HydrophobicContact CG2-CG 4.48Å; I197-Y202 VanDerWaalsContact O-CB 3.3Å; I197-Y202 WeakPolarHBondContact O-CB 3.46Å; V199-Y202 WeakPolarHBondContact O-CB 3.48Å; V199-Y202 PolarHBondContact O-N 2.68Å; E200-Y202 PolarHBondContact O-N 3.42Å; Y202-P204 HydrophobicContact CE1-CG 3.82Å; Y202-P204 WeakPolarHBondContact OH-CA 3.35Å; Y202-D208 WeakPolarHBondContact OH-CB 3.36Å; Y202-D208 PolarHBondContact OH-OD2 3.37Å
203	R	96.9	Very high	96.8	Very high	138 Å²	138	55.5 Å²	55.5	52%	0.521	27%	0.27	S	S	.	.			trans	-119.4	118.4	174.5	-169.9	-177.1	-179	-75.8	2.4	109.6	I81 N201 T205	I81-R203 HydrophobicContact CG2-CG 3.85Å; N201-R203 PolarHBondContact O-N 2.81Å; R203-T205 PolarHBondContact O-N 3.4Å
204	P	97.5	Very high	96.6	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.287	C	S	.	.			trans	-50.9	129.7	177.1	-29.3	33.8	0	0	0	113.7	I81 K85 I88 Y202 D208 I209	I81-P204 HydrophobicContact CG2-CG 4.5Å; K85-P204 HydrophobicContact CB-CG 3.91Å; I88-P204 HydrophobicContact CD1-CB 3.73Å; I88-P204 HydrophobicContact CD1-CG 3.7Å; Y202-P204 HydrophobicContact CE1-CG 3.82Å; Y202-P204 WeakPolarHBondContact OH-CA 3.35Å; P204-D208 HydrophobicContact CB-CB 4.32Å; P204-I209 HydrophobicContact CB-CD1 4.41Å; P204-I209 HydrophobicContact CB-CG1 3.89Å
205	T	96.3	Very high	96.4	Very high	61 Å²	61	61.6 Å²	61.6	37%	0.374	30%	0.304	S	S	.	.			trans	-77.5	161.6	169	64.1	0	0	0	0	110.4	R193 R203 E207 D208 I209	R193-T205 PolarHBondContact NH2-OG1 2.97Å; R203-T205 PolarHBondContact O-N 3.4Å; T205-E207 PolarHBondContact O-N 2.9Å; T205-E207 VanDerWaalsContact O-N 3.15Å; T205-D208 WeakPolarHBondContact CB-OD2 3.39Å; T205-D208 PolarHBondContact N-OD2 3.49Å; T205-D208 PolarHBondContact O-N 3.35Å; T205-D208 PolarHBondContact OG1-N 3.06Å; T205-D208 PolarHBondContact OG1-OD2 3.42Å; T205-I209 VanDerWaalsContact O-CG1 3.28Å; T205-I209 WeakPolarHBondContact O-CG1 3.38Å; T205-I209 PolarHBondContact O-N 3.18Å
206	D	95.6	Very high	96.3	Very high	80 Å²	80	56.9 Å²	56.9	43%	0.428	28%	0.279	S	S	.	.	H	α-helix	trans	-53.1	-36.1	173.6	-75.8	-6.3	0	0	0	112	I70 I209 V210	I70-D206 HydrophobicContact CD1-CB 4.02Å; I70-D206 HydrophobicContact CG1-CB 4.45Å; I70-D206 HydrophobicContact CG2-CB 4.18Å; I70-D206 WeakPolarHBondContact CG2-OD2 3.38Å; D206-I209 PolarHBondContact O-N 2.87Å; D206-V210 VanDerWaalsContact O-CG2 3.25Å; D206-V210 WeakPolarHBondContact O-CG2 3.44Å; D206-V210 PolarHBondContact O-N 3.26Å; D206-V210 VanDerWaalsContact O-N 3.1Å
207	E	95.2	Very high	96.1	Very high	97 Å²	97	55.5 Å²	55.5	45%	0.453	27%	0.273	S	S	.	.	H	α-helix	trans	-65.9	-48.4	176.1	-156.9	-171.6	169	0	0	111.2	Y189 R193 T205 I209 V210 W211	Y189-E207 HydrophobicContact CE2-CG 4.2Å; Y189-E207 WeakPolarHBondContact CE2-OE1 3.42Å; Y189-E207 WeakPolarHBondContact OH-CB 3.27Å; Y189-E207 VanDerWaalsContact OH-CD 3.3Å; Y189-E207 WeakPolarHBondContact OH-CG 3.46Å; R193-E207 IonicContact CZ-OE2 3.46Å; R193-E207 IonicContact NH1-OE1 2.85Å; R193-E207 IonicContact NH1-OE2 2.81Å; R193-E207 PolarHBondContact NH1-OE2 3.11Å; R193-E207 IonicContact NH2-OE2 2.67Å; T205-E207 PolarHBondContact O-N 2.9Å; T205-E207 VanDerWaalsContact O-N 3.15Å; E207-I209 PolarHBondContact O-N 3Å; E207-V210 PolarHBondContact O-N 3.46Å; E207-V210 VanDerWaalsContact O-N 3.16Å; E207-W211 VanDerWaalsContact O-CD1 3.24Å; E207-W211 PolarHBondContact O-N 3.39Å
208	D	97.2	Very high	95.9	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-59.5	-38.4	177.1	-55.1	-44	0	0	0	111.3	I88 Y189 Y190 R193 Y202 P204 T205 W211 S212	I88-D208 HydrophobicContact CD1-CB 3.97Å; Y189-D208 PolarHBondContact OH-N 3.03Å; Y189-D208 PolarHBondContact OH-OD1 2.71Å; Y190-D208 HydrophobicContact CE1-CB 4.24Å; Y190-D208 PolarHBondContact OH-O 3.26Å; R193-D208 IonicContact CZ-OD1 3.45Å; R193-D208 IonicContact NE-OD1 3.4Å; R193-D208 PolarHBondContact NE-OD1 3.5Å; R193-D208 IonicContact NH2-OD1 2.75Å; R193-D208 PolarHBondContact NH2-OD1 3.25Å; R193-D208 IonicContact NH2-OD2 3.67Å; Y202-D208 WeakPolarHBondContact OH-CB 3.36Å; Y202-D208 PolarHBondContact OH-OD2 3.37Å; P204-D208 HydrophobicContact CB-CB 4.32Å; T205-D208 WeakPolarHBondContact CB-OD2 3.39Å; T205-D208 PolarHBondContact N-OD2 3.49Å; T205-D208 PolarHBondContact O-N 3.35Å; T205-D208 PolarHBondContact OG1-N 3.06Å; T205-D208 PolarHBondContact OG1-OD2 3.42Å; D208-W211 PolarHBondContact O-N 3.03Å; D208-S212 PolarHBondContact O-N 2.93Å
209	I	96.8	Very high	95.8	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-63.6	-43.3	178.6	-68.5	171.2	0	0	0	111	K66 F76 I81 L84 P204 T205 D206 E207 W211 S212	K66-I209 HydrophobicContact CD-CG2 4.36Å; K66-I209 WeakPolarHBondContact CD-O 3.48Å; K66-I209 PolarHBondContact NZ-O 2.97Å; F76-I209 HydrophobicContact CD2-CD1 3.76Å; F76-I209 HydrophobicContact CD2-CG2 4.46Å; F76-I209 HydrophobicContact CE1-CG2 4.33Å; F76-I209 HydrophobicContact CE2-CD1 4.04Å; F76-I209 HydrophobicContact CE2-CG2 3.81Å; F76-I209 HydrophobicContact CG-CD1 4.38Å; F76-I209 HydrophobicContact CZ-CG2 3.74Å; I81-I209 HydrophobicContact CD1-CD1 3.94Å; L84-I209 HydrophobicContact CD1-CB 4.49Å; L84-I209 HydrophobicContact CD1-CD1 4.07Å; L84-I209 HydrophobicContact CD1-CG1 3.96Å; L84-I209 HydrophobicContact CD1-CG2 3.82Å; L84-I209 HydrophobicContact CD2-CG2 4.25Å; P204-I209 HydrophobicContact CB-CD1 4.41Å; P204-I209 HydrophobicContact CB-CG1 3.89Å; T205-I209 VanDerWaalsContact O-CG1 3.28Å; T205-I209 WeakPolarHBondContact O-CG1 3.38Å; T205-I209 PolarHBondContact O-N 3.18Å; D206-I209 PolarHBondContact O-N 2.87Å; E207-I209 PolarHBondContact O-N 3Å; I209-W211 VanDerWaalsContact C-N 3.33Å; I209-W211 PolarHBondContact O-N 3.37Å; I209-S212 WeakPolarHBondContact O-CB 3.44Å; I209-S212 PolarHBondContact O-N 3.07Å; I209-S212 VanDerWaalsContact O-N 3.16Å; I209-S212 PolarHBondContact O-OG 3.49Å
210	V	96.5	Very high	95.6	Very high	3 Å²	3	60.6 Å²	60.6	2%	0.018	30%	0.299	C	S	.	.	H	α-helix	trans	-66.1	-38	-179.3	174.7	0	0	0	0	111.2	T63 K66 I70 D206 E207 S212 V413	T63-V210 HydrophobicContact CG2-CG1 3.59Å; T63-V210 WeakPolarHBondContact CG2-O 3.43Å; K66-V210 HydrophobicContact CB-CG2 4.47Å; I70-V210 HydrophobicContact CD1-CG2 3.37Å; D206-V210 VanDerWaalsContact O-CG2 3.25Å; D206-V210 WeakPolarHBondContact O-CG2 3.44Å; D206-V210 PolarHBondContact O-N 3.26Å; D206-V210 VanDerWaalsContact O-N 3.1Å; E207-V210 PolarHBondContact O-N 3.46Å; E207-V210 VanDerWaalsContact O-N 3.16Å; V210-S212 PolarHBondContact O-N 2.87Å; V210-V413 HydrophobicContact CG1-CB 4.26Å; V210-V413 HydrophobicContact CG1-CG1 4.1Å
211	W	96.9	Very high	95.5	Very high	46 Å²	46	59.1 Å²	59.1	17%	0.174	29%	0.292	C	S	.	.	H	α-helix	trans	-69.8	-17.5	175.1	-78.4	101	0	0	0	114.1	N186 Y189 Y190 E207 D208 I209 V413	N186-W211 HydrophobicContact CB-CB 4.32Å; N186-W211 HydrophobicContact CB-CE3 3.7Å; N186-W211 HydrophobicContact CB-CZ3 4.44Å; N186-W211 VanDerWaalsContact CB-O 3.32Å; N186-W211 WeakPolarHBondContact CB-O 3.32Å; N186-W211 PolarHBondContact ND2-O 2.99Å; Y189-W211 HydrophobicContact CD1-CB 3.68Å; Y189-W211 AromaticContact CD1-CD1 3.64Å; Y189-W211 AromaticContact CD1-CD2 3.95Å; Y189-W211 HydrophobicContact CD1-CD2 3.95Å; Y189-W211 AromaticContact CD1-CG 3.48Å; Y189-W211 HydrophobicContact CD1-CG 3.48Å; Y189-W211 VanDerWaalsContact CD1-CG 3.48Å; Y189-W211 AromaticContact CD2-CD1 3.64Å; Y189-W211 HydrophobicContact CD2-CD2 4.02Å; Y189-W211 AromaticContact CD2-CE2 3.57Å; Y189-W211 HydrophobicContact CD2-CG 4.06Å; Y189-W211 HydrophobicContact CD2-CZ2 4.1Å; Y189-W211 AromaticContact CD2-NE1 3.34Å; Y189-W211 VanDerWaalsContact CD2-NE1 3.34Å; Y189-W211 HydrophobicContact CE1-CB 3.8Å; Y189-W211 AromaticContact CE1-CD1 3.43Å; Y189-W211 VanDerWaalsContact CE1-CD1 3.43Å; Y189-W211 AromaticContact CE1-CG 3.66Å; Y189-W211 HydrophobicContact CE1-CG 3.66Å; Y189-W211 AromaticContact CE2-CD1 3.42Å; Y189-W211 VanDerWaalsContact CE2-CD1 3.42Å; Y189-W211 HydrophobicContact CE2-CG 4.2Å; Y189-W211 AromaticContact CE2-NE1 3.31Å; Y189-W211 VanDerWaalsContact CE2-NE1 3.31Å; Y189-W211 HydrophobicContact CG-CB 4.35Å; Y189-W211 AromaticContact CG-CD1 3.73Å; Y189-W211 AromaticContact CG-CD2 3.67Å; Y189-W211 HydrophobicContact CG-CD2 3.67Å; Y189-W211 AromaticContact CG-CE2 3.73Å; Y189-W211 HydrophobicContact CG-CE3 4.29Å; Y189-W211 AromaticContact CG-CG 3.69Å; Y189-W211 HydrophobicContact CG-CG 3.69Å; Y189-W211 HydrophobicContact CG-CZ2 4.36Å; Y189-W211 AromaticContact CG-NE1 3.77Å; Y189-W211 AromaticContact CZ-CD1 3.28Å; Y189-W211 AromaticContact CZ-CG 3.99Å; Y189-W211 AromaticContact CZ-NE1 3.73Å; Y190-W211 HydrophobicContact CE1-CB 4.24Å; Y190-W211 HydrophobicContact CE2-CB 4.41Å; E207-W211 VanDerWaalsContact O-CD1 3.24Å; E207-W211 PolarHBondContact O-N 3.39Å; D208-W211 PolarHBondContact O-N 3.03Å; I209-W211 VanDerWaalsContact C-N 3.33Å; I209-W211 PolarHBondContact O-N 3.37Å; W211-V413 HydrophobicContact CD2-CB 4.49Å; W211-V413 HydrophobicContact CD2-CG1 3.86Å; W211-V413 HydrophobicContact CE3-CG1 4.13Å; W211-V413 HydrophobicContact CG-CG1 4.4Å; W211-V413 HydrophobicContact CH2-CG1 4.24Å; W211-V413 HydrophobicContact CH2-CG2 4.14Å; W211-V413 HydrophobicContact CZ2-CB 3.99Å; W211-V413 HydrophobicContact CZ2-CG1 3.97Å; W211-V413 HydrophobicContact CZ2-CG2 3.66Å; W211-V413 HydrophobicContact CZ3-CG1 4.32Å
212	S	96.7	Very high	95.3	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.014	26%	0.264	C	S	.	.			trans	-69	137.7	-173.8	68	0	0	0	0	111.7	K66 Y190 D208 I209 V210	K66-S212 PolarHBondContact NZ-O 3.03Å; K66-S212 PolarHBondContact NZ-OG 2.99Å; Y190-S212 WeakPolarHBondContact OH-CA 3.48Å; Y190-S212 WeakPolarHBondContact OH-CB 3.44Å; Y190-S212 PolarHBondContact OH-N 2.75Å; D208-S212 PolarHBondContact O-N 2.93Å; I209-S212 WeakPolarHBondContact O-CB 3.44Å; I209-S212 PolarHBondContact O-N 3.07Å; I209-S212 VanDerWaalsContact O-N 3.16Å; I209-S212 PolarHBondContact O-OG 3.49Å; V210-S212 PolarHBondContact O-N 2.87Å
213	R	95.2	Very high	95	Very high	48 Å²	48	56 Å²	56	18%	0.181	27%	0.273	C	S	.	.			trans	-120.7	113.2	-173.9	179.6	66.8	-174.4	113.6	8.4	110.3	N91 N186	N91-R213 PolarHBondContact ND2-O 3.46Å; N91-R213 WeakPolarHBondContact OD1-CA 3.42Å; N91-R213 WeakPolarHBondContact OD1-CB 3.4Å; N91-R213 PolarHBondContact OD1-N 3.1Å; N91-R213 PolarHBondContact OD1-O 3.01Å; N186-R213 WeakPolarHBondContact ND2-CB 3.45Å
214	K	93.5	Very high	94.6	Very high	129 Å²	129	49.5 Å²	49.5	56%	0.561	25%	0.249	S	C	*	.			trans	-127.5	130	164	-178.1	171.6	178	175.3	0	108.7	I87 T216	I87-K214 HydrophobicContact CD1-CB 4.12Å; I87-K214 HydrophobicContact CD1-CD 3.67Å; I87-K214 HydrophobicContact CG1-CD 4.21Å; I87-K214 HydrophobicContact CG2-CB 4.3Å; K214-T216 PolarHBondContact O-N 3.25Å
215	P	93.9	Very high	93.9	Very high	56 Å²	56	54.7 Å²	54.7	36%	0.364	28%	0.277	S	S	.	.			trans	-59.6	126.7	174.3	-18.8	29.9	0	0	0	111.4	E217	P215-E217 WeakPolarHBondContact O-CG 3.2Å; P215-E217 PolarHBondContact O-N 2.61Å
216	T	94.6	Very high	93	Very high	18 Å²	18	52.4 Å²	52.4	11%	0.11	26%	0.263	C	S	.	.			trans	-73.2	123.6	174.1	-51.5	0	0	0	0	109.3	S62 K214 S218 I220 D235 G237	S62-T216 PolarHBondContact OG-OG1 2.67Å; K214-T216 PolarHBondContact O-N 3.25Å; T216-S218 VanDerWaalsContact CG2-O 3.25Å; T216-S218 WeakPolarHBondContact CG2-O 3.37Å; T216-I220 HydrophobicContact CG2-CD1 3.93Å; T216-I220 HydrophobicContact CG2-CG1 4.39Å; T216-D235 PolarHBondContact OG1-OD2 3.43Å; T216-G237 WeakPolarHBondContact O-CA 3.48Å
217	E	92.7	Very high	92	Very high	107 Å²	107	56.9 Å²	56.9	50%	0.5	28%	0.281	S	S	.	.			trans	-116.9	-8.2	-175.6	-52.8	-162.5	132.2	0	0	113.1	P215 K241 K245	P215-E217 WeakPolarHBondContact O-CG 3.2Å; P215-E217 PolarHBondContact O-N 2.61Å; E217-K241 IonicContact OE1-NZ 2.67Å; E217-K241 PolarHBondContact OE1-NZ 3.36Å; E217-K245 PolarHBondContact O-NZ 3.04Å
218	S	92.6	Very high	90.9	Very high	68 Å²	68	57.6 Å²	57.6	48%	0.476	30%	0.296	S	S	.	.	S	Bend	trans	-125.3	169.3	175.4	60.5	0	0	0	0	110.7	T216	T216-S218 VanDerWaalsContact CG2-O 3.25Å; T216-S218 WeakPolarHBondContact CG2-O 3.37Å
219	I	95	Very high	89.9	Confident	53 Å²	53	59.1 Å²	59.1	27%	0.272	31%	0.307	S	S	.	.			trans	-78.6	126.4	165.9	-62	160.4	0	0	0	106.3	I234 V236 K245 Q248 C249	I219-I234 HydrophobicContact CG2-CG2 3.54Å; I219-V236 HydrophobicContact CG1-CG1 4.03Å; I219-V236 HydrophobicContact CG2-CG1 4.32Å; I219-K245 HydrophobicContact CD1-CB 4.35Å; I219-Q248 HydrophobicContact CD1-CB 4.04Å; I219-C249 WeakPolarHBondContact CD1-SG 3.04Å
220	I	94.2	Very high	89.3	Confident	67 Å²	67	59.8 Å²	59.8	34%	0.344	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	121.4	179.3	-58.7	174.2	0	0	0	107.5	T216 I234 D235	T216-I220 HydrophobicContact CG2-CD1 3.93Å; T216-I220 HydrophobicContact CG2-CG1 4.39Å; I220-I234 CarbonylContact O-C 3.58Å; I220-I234 WeakPolarHBondContact O-CA 3.34Å; I220-D235 HydrophobicContact CB-CB 4.39Å; I220-D235 PolarHBondContact N-O 2.99Å; I220-D235 PolarHBondContact O-N 3.26Å
221	E	94.5	Very high	89	Confident	119 Å²	119	60 Å²	60	56%	0.556	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	131.8	171.8	-66	-171.8	-160.6	0	0	110	F233 I234	E221-F233 CarbonylContact C-O 3.59Å; E221-F233 WeakPolarHBondContact CA-O 3.29Å; E221-I234 HydrophobicContact CG-CG1 4.3Å
222	E	92.3	Very high	88.8	Confident	27 Å²	27	57.9 Å²	57.9	13%	0.126	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	115.9	179.8	-173.2	67.2	-148.5	0	0	110.5	L65 K69 K74 I224 F233	L65-E222 HydrophobicContact CD1-CB 3.92Å; L65-E222 HydrophobicContact CD1-CG 3.99Å; L65-E222 HydrophobicContact CD2-CB 3.91Å; L65-E222 HydrophobicContact CD2-CG 4.44Å; L65-E222 HydrophobicContact CG-CB 4.31Å; L65-E222 HydrophobicContact CG-CG 4.39Å; K69-E222 VanDerWaalsContact CE-CG 3.5Å; K69-E222 WeakPolarHBondContact CE-OE1 3.07Å; K69-E222 WeakPolarHBondContact CE-OE2 3.4Å; K69-E222 HydrophobicContact CG-CG 4.36Å; K69-E222 VanDerWaalsContact NZ-CD 3.29Å; K69-E222 IonicContact NZ-OE1 3.68Å; K69-E222 IonicContact NZ-OE2 2.8Å; K69-E222 PolarHBondContact NZ-OE2 3.28Å; K74-E222 IonicContact NZ-OE1 3.44Å; K74-E222 PolarHBondContact NZ-OE1 2.96Å; E222-I224 HydrophobicContact CG-CG1 4.26Å; E222-F233 PolarHBondContact N-O 2.86Å; E222-F233 PolarHBondContact O-N 3.44Å
223	E	91.5	Very high	88.7	Confident	57 Å²	57	57.8 Å²	57.8	27%	0.266	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	121.1	178.8	-175.7	171.5	178.7	0	0	111	K74 S230 L231 V232	K74-E223 WeakPolarHBondContact CE-O 3.39Å; K74-E223 PolarHBondContact NZ-O 2.87Å; E223-S230 VanDerWaalsContact CG-OG 3.28Å; E223-S230 WeakPolarHBondContact CG-OG 3.28Å; E223-S230 WeakPolarHBondContact OE1-CB 3.37Å; E223-S230 PolarHBondContact OE1-OG 3.25Å; E223-L231 CarbonylContact C-O 3.58Å; E223-L231 WeakPolarHBondContact CA-O 3.17Å; E223-V232 HydrophobicContact CG-CG2 4.36Å
224	I	87.7	Confident	88.7	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.005	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	116	178.6	-58.4	-173.3	0	0	0	108.3	L65 M68 N72 E222 V226 L231 F233	L65-I224 HydrophobicContact CD1-CD1 4.29Å; M68-I224 HydrophobicContact CB-CD1 3.54Å; N72-I224 HydrophobicContact CB-CG2 3.78Å; N72-I224 VanDerWaalsContact CG-CG2 3.49Å; N72-I224 WeakPolarHBondContact ND2-CG2 3.14Å; E222-I224 HydrophobicContact CG-CG1 4.26Å; I224-V226 HydrophobicContact CG2-CG2 3.73Å; I224-L231 PolarHBondContact N-O 2.83Å; I224-L231 PolarHBondContact O-N 2.88Å; I224-F233 HydrophobicContact CB-CD2 4.46Å; I224-F233 HydrophobicContact CB-CE2 4.29Å; I224-F233 HydrophobicContact CD1-CD2 3.8Å; I224-F233 HydrophobicContact CD1-CE2 3.83Å; I224-F233 HydrophobicContact CG1-CD2 4.09Å; I224-F233 HydrophobicContact CG1-CE2 4.28Å
225	N	83.2	Confident	88.8	Confident	109 Å²	109	49.7 Å²	49.7	58%	0.583	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	118.4	175	-65.4	-41.7	0	0	0	108.9
226	V	78.1	Confident	88.9	Confident	13 Å²	13	47.1 Å²	47.1	8%	0.079	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	118.5	174.5	-170	0	0	0	0	108.8	N72 I224 S228 S229 F422 Q426	N72-V226 WeakPolarHBondContact OD1-CG2 3.38Å; I224-V226 HydrophobicContact CG2-CG2 3.73Å; V226-S228 PolarHBondContact O-N 2.92Å; V226-S229 PolarHBondContact N-O 3.1Å; V226-S229 PolarHBondContact O-N 2.77Å; V226-F422 HydrophobicContact CB-CE1 4.4Å; V226-F422 HydrophobicContact CB-CZ 4.45Å; V226-F422 HydrophobicContact CG1-CE1 4.1Å; V226-F422 HydrophobicContact CG2-CE1 3.83Å; V226-F422 HydrophobicContact CG2-CZ 3.71Å; V226-Q426 VanDerWaalsContact CB-NE2 3.26Å
227	H	74.4	Confident	88.9	Confident	174 Å²	174	46.4 Å²	46.4	81%	0.806	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	-118.3	-168.3	-54.3	-63.5	0	0	0	111.3
228	S	71.2	Confident	88.9	Confident	112 Å²	112	41.7 Å²	41.7	78%	0.783	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.2	3.8	179.3	55.7	0	0	0	0	113.9	V226	V226-S228 PolarHBondContact O-N 2.92Å
229	S	76.4	Confident	88.8	Confident	33 Å²	33	41 Å²	41	23%	0.231	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	136.4	-176.9	-63.1	0	0	0	0	111.6	V226	V226-S229 PolarHBondContact N-O 3.1Å; V226-S229 PolarHBondContact O-N 2.77Å
230	S	85.1	Confident	88.5	Confident	14 Å²	14	42.1 Å²	42.1	10%	0.098	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	112.2	172.4	167.3	0	0	0	0	109.2	R48 Q49 E223	R48-S230 WeakPolarHBondContact CA-O 3.46Å; Q49-S230 PolarHBondContact N-O 3.29Å; E223-S230 VanDerWaalsContact CG-OG 3.28Å; E223-S230 WeakPolarHBondContact CG-OG 3.28Å; E223-S230 WeakPolarHBondContact OE1-CB 3.37Å; E223-S230 PolarHBondContact OE1-OG 3.25Å
231	L	89.4	Confident	88.2	Confident	8 Å²	8	43.9 Å²	43.9	4%	0.042	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	128.4	172.8	-56.9	-173.4	0	0	0	108.8	Q49 I51 E223 I224 F233 F422 Q426	Q49-L231 HydrophobicContact CB-CD2 3.6Å; Q49-L231 HydrophobicContact CG-CD2 3.99Å; I51-L231 HydrophobicContact CD1-CD1 4.38Å; E223-L231 CarbonylContact C-O 3.58Å; E223-L231 WeakPolarHBondContact CA-O 3.17Å; I224-L231 PolarHBondContact N-O 2.83Å; I224-L231 PolarHBondContact O-N 2.88Å; L231-F233 HydrophobicContact CB-CE2 4.02Å; L231-F233 HydrophobicContact CD1-CE2 4.43Å; L231-F233 HydrophobicContact CD1-CZ 4.39Å; L231-F422 HydrophobicContact CD1-CE2 3.54Å; L231-F422 HydrophobicContact CD1-CZ 3.46Å; L231-F422 VanDerWaalsContact CD1-CZ 3.46Å; L231-Q426 HydrophobicContact CD1-CG 4.43Å
232	V	92	Very high	88.1	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	110.9	179.1	-174.1	0	0	0	0	107.8	R48 Q49 M50 I51 E223	R48-V232 HydrophobicContact CB-CG2 4.31Å; R48-V232 HydrophobicContact CG-CG2 4.39Å; Q49-V232 PolarHBondContact O-N 3.31Å; M50-V232 HydrophobicContact CE-CB 4.05Å; M50-V232 HydrophobicContact CE-CG1 3.71Å; M50-V232 HydrophobicContact SD-CB 3.53Å; M50-V232 VanDerWaalsContact SD-CB 3.53Å; M50-V232 HydrophobicContact SD-CG1 3.82Å; M50-V232 HydrophobicContact SD-CG2 3.79Å; I51-V232 PolarHBondContact N-O 3.05Å; E223-V232 HydrophobicContact CG-CG2 4.36Å
233	F	94.4	Very high	88.1	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	129.8	175	-68.5	-84.2	0	0	0	109.8	I51 L53 F64 L65 E221 E222 I224 L231 F422 M425	I51-F233 HydrophobicContact CB-CD1 3.94Å; I51-F233 HydrophobicContact CB-CE1 4.07Å; I51-F233 HydrophobicContact CD1-CD1 4.48Å; I51-F233 HydrophobicContact CD1-CE1 3.82Å; I51-F233 HydrophobicContact CD1-CZ 4.02Å; I51-F233 HydrophobicContact CG2-CD1 3.99Å; I51-F233 HydrophobicContact CG2-CE1 3.95Å; I51-F233 WeakPolarHBondContact O-CA 3.49Å; L53-F233 HydrophobicContact CD1-CD1 4.48Å; L53-F233 HydrophobicContact CD2-CD1 3.92Å; L53-F233 HydrophobicContact CD2-CE1 4.47Å; L53-F233 HydrophobicContact CG-CD1 4.31Å; F64-F233 HydrophobicContact CE1-CD1 4.14Å; F64-F233 AromaticContact CE1-CE1 3.66Å; F64-F233 HydrophobicContact CE1-CE1 3.66Å; F64-F233 HydrophobicContact CE1-CZ 4.23Å; F64-F233 HydrophobicContact CZ-CE1 4.17Å; F64-F233 HydrophobicContact CZ-CZ 4.43Å; L65-F233 HydrophobicContact CD1-CB 3.62Å; L65-F233 HydrophobicContact CD1-CD2 4.15Å; L65-F233 HydrophobicContact CD1-CG 3.93Å; E221-F233 CarbonylContact C-O 3.59Å; E221-F233 WeakPolarHBondContact CA-O 3.29Å; E222-F233 PolarHBondContact N-O 2.86Å; E222-F233 PolarHBondContact O-N 3.44Å; I224-F233 HydrophobicContact CB-CD2 4.46Å; I224-F233 HydrophobicContact CB-CE2 4.29Å; I224-F233 HydrophobicContact CD1-CD2 3.8Å; I224-F233 HydrophobicContact CD1-CE2 3.83Å; I224-F233 HydrophobicContact CG1-CD2 4.09Å; I224-F233 HydrophobicContact CG1-CE2 4.28Å; L231-F233 HydrophobicContact CB-CE2 4.02Å; L231-F233 HydrophobicContact CD1-CE2 4.43Å; L231-F233 HydrophobicContact CD1-CZ 4.39Å; F233-F422 AromaticContact CZ-CE2 3.99Å; F233-F422 HydrophobicContact CZ-CE2 3.99Å; F233-M425 HydrophobicContact CE1-CE 4.38Å; F233-M425 HydrophobicContact CZ-CE 4.26Å
234	I	95.7	Very high	88.1	Confident	5 Å²	5	46.5 Å²	46.5	3%	0.026	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	105.7	170.7	-53.7	-169.1	0	0	0	108	M50 I51 L52 L53 I219 I220 E221 V236 C249 M253	M50-I234 HydrophobicContact CE-CD1 3.66Å; M50-I234 HydrophobicContact CE-CG1 4.06Å; I51-I234 PolarHBondContact O-N 3.07Å; L52-I234 HydrophobicContact CD1-CB 3.82Å; L52-I234 HydrophobicContact CD1-CG2 3.78Å; L53-I234 WeakPolarHBondContact CB-O 3.35Å; L53-I234 PolarHBondContact N-O 3.25Å; I219-I234 HydrophobicContact CG2-CG2 3.54Å; I220-I234 CarbonylContact O-C 3.58Å; I220-I234 WeakPolarHBondContact O-CA 3.34Å; E221-I234 HydrophobicContact CG-CG1 4.3Å; I234-V236 HydrophobicContact CG2-CG1 4.06Å; I234-C249 HydrophobicContact CD1-CB 4.4Å; I234-C249 HydrophobicContact CG2-CB 4.13Å; I234-M253 HydrophobicContact CD1-CE 3.43Å; I234-M253 VanDerWaalsContact CD1-CE 3.43Å; I234-M253 HydrophobicContact CD1-SD 3.95Å
235	D	96.3	Very high	88.3	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.011	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	130.1	171.7	-171.9	34.3	0	0	0	110.2	L53 K61 S62 L65 T216 I220	L53-D235 HydrophobicContact CD1-CB 4.19Å; K61-D235 VanDerWaalsContact CB-OD1 3.24Å; K61-D235 WeakPolarHBondContact CB-OD1 3.49Å; S62-D235 WeakPolarHBondContact CB-OD2 3.46Å; S62-D235 PolarHBondContact OG-OD2 3.35Å; L65-D235 HydrophobicContact CD2-CB 3.93Å; T216-D235 PolarHBondContact OG1-OD2 3.43Å; I220-D235 HydrophobicContact CB-CB 4.39Å; I220-D235 PolarHBondContact N-O 2.99Å; I220-D235 PolarHBondContact O-N 3.26Å
236	V	96.4	Very high	88.8	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.006	22%	0.221	C	C	.	.			trans	-126	149.7	178.4	-59.4	0	0	0	0	110.7	L52 L53 L54 K61 I219 I234 G238 W246	L52-V236 HydrophobicContact CD1-CG1 4.15Å; L53-V236 WeakPolarHBondContact O-CG2 2.96Å; L54-V236 HydrophobicContact CD2-CG2 3.79Å; K61-V236 WeakPolarHBondContact CE-O 3.38Å; I219-V236 HydrophobicContact CG1-CG1 4.03Å; I219-V236 HydrophobicContact CG2-CG1 4.32Å; I234-V236 HydrophobicContact CG2-CG1 4.06Å; V236-G238 PolarHBondContact O-N 3.04Å; V236-W246 VanDerWaalsContact CG2-CD1 3.46Å; V236-W246 HydrophobicContact CG2-CG 4.26Å
237	G	94.7	Very high	89.4	Confident	4 Å²	4	48 Å²	48	4%	0.041	25%	0.245	C	C	.	.			trans	-58.3	126.6	176.5	0	0	0	0	0	112.7	T216 W246	T216-G237 WeakPolarHBondContact O-CA 3.48Å; G237-W246 PolarHBondContact O-NE1 3.45Å
238	G	92.4	Very high	90.3	Very high	7 Å²	7	46.1 Å²	46.1	7%	0.072	24%	0.237	C	C	.	.			trans	-86	-14.1	179.9	0	0	0	0	0	115.4	G55 T56 G57 V236 R243	G55-G238 WeakPolarHBondContact O-CA 3.46Å; T56-G238 CarbonylContact C-O 3.42Å; G57-G238 VanDerWaalsContact N-C 3.32Å; G57-G238 PolarHBondContact N-O 3.01Å; V236-G238 PolarHBondContact O-N 3.04Å; G238-R243 PolarHBondContact O-NE 2.88Å
239	Q	89.9	Confident	91.2	Very high	54 Å²	54	41.2 Å²	41.2	25%	0.252	20%	0.202	S	C	.	.	S	Bend	trans	-66.9	148.9	179.8	-64.8	175.1	82.2	0	0	110.6	K241 E242 R243	Q239-K241 HydrophobicContact CB-CG 4.17Å; Q239-K241 PolarHBondContact O-N 3.1Å; Q239-K241 VanDerWaalsContact O-N 3.14Å; Q239-E242 HydrophobicContact CB-CG 4.32Å; Q239-E242 PolarHBondContact O-N 3.47Å; Q239-R243 WeakPolarHBondContact O-CG 3.37Å; Q239-R243 PolarHBondContact O-N 3.29Å
240	T	88.9	Confident	91.8	Very high	76 Å²	76	41.1 Å²	41.1	47%	0.466	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-49.9	-43.4	-179	-50.1	0	0	0	0	112.8	E242 R243	T240-E242 PolarHBondContact O-N 2.96Å; T240-R243 PolarHBondContact O-N 3.42Å
241	K	88.2	Confident	91.8	Very high	104 Å²	104	43.5 Å²	43.5	45%	0.452	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-62.1	-24.5	178.1	61.8	164.5	-172.6	162.6	0	115	E217 Q239 R244	E217-K241 IonicContact OE1-NZ 2.67Å; E217-K241 PolarHBondContact OE1-NZ 3.36Å; Q239-K241 HydrophobicContact CB-CG 4.17Å; Q239-K241 PolarHBondContact O-N 3.1Å; Q239-K241 VanDerWaalsContact O-N 3.14Å; K241-R244 PolarHBondContact O-NE 2.87Å
242	E	91	Very high	91.5	Very high	11 Å²	11	50.4 Å²	50.4	5%	0.051	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-94.6	-18	-175.2	-58.7	-49.3	141.2	0	0	113.1	Q239 T240 R244 K245	Q239-E242 HydrophobicContact CB-CG 4.32Å; Q239-E242 PolarHBondContact O-N 3.47Å; T240-E242 PolarHBondContact O-N 2.96Å; E242-R244 PolarHBondContact O-N 3.2Å; E242-R244 VanDerWaalsContact O-N 3.1Å; E242-K245 WeakPolarHBondContact O-CB 3.44Å; E242-K245 PolarHBondContact O-N 3.34Å; E242-K245 WeakPolarHBondContact OE2-CE 3.42Å; E242-K245 IonicContact OE2-NZ 2.69Å; E242-K245 PolarHBondContact OE2-NZ 3Å
243	R	93	Very high	91.3	Very high	51 Å²	51	50.9 Å²	50.9	19%	0.192	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-62.4	-24.4	-173.1	-53.3	-170.9	-172.8	153.2	-1.8	114.1	G238 Q239 T240 K245 W246 E283 V287	G238-R243 PolarHBondContact O-NE 2.88Å; Q239-R243 WeakPolarHBondContact O-CG 3.37Å; Q239-R243 PolarHBondContact O-N 3.29Å; T240-R243 PolarHBondContact O-N 3.42Å; R243-K245 PolarHBondContact O-N 2.88Å; R243-K245 VanDerWaalsContact O-N 3.1Å; R243-W246 HydrophobicContact CB-CD2 3.94Å; R243-W246 HydrophobicContact CB-CE3 4.01Å; R243-W246 HydrophobicContact CB-CH2 4.29Å; R243-W246 HydrophobicContact CB-CZ2 4.16Å; R243-W246 HydrophobicContact CB-CZ3 4.18Å; R243-W246 HydrophobicContact CG-CD2 4.28Å; R243-W246 HydrophobicContact CG-CE3 4.35Å; R243-W246 HydrophobicContact CG-CH2 3.73Å; R243-W246 HydrophobicContact CG-CZ2 3.57Å; R243-W246 HydrophobicContact CG-CZ3 4.08Å; R243-W246 WeakPolarHBondContact O-CB 3.46Å; R243-W246 VanDerWaalsContact O-CG 3.27Å; R243-W246 PolarHBondContact O-N 2.73Å; R243-W246 VanDerWaalsContact O-N 3.08Å; R243-E283 IonicContact CZ-OE1 2.7Å; R243-E283 IonicContact NH1-OE1 3.92Å; R243-E283 PolarHBondContact NH1-OE1 3.07Å; R243-E283 IonicContact NH2-OE1 3.64Å; R243-E283 PolarHBondContact NH2-OE1 3.41Å; R243-V287 VanDerWaalsContact CZ-CG2 3.49Å; R243-V287 VanDerWaalsContact NH1-CG2 3.3Å
244	R	91	Very high	91	Very high	197 Å²	197	51.4 Å²	51.4	74%	0.743	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-58.1	-20.3	173.2	64.6	-178.6	172.4	168.5	2.5	114	K241 E242	K241-R244 PolarHBondContact O-NE 2.87Å; E242-R244 PolarHBondContact O-N 3.2Å; E242-R244 VanDerWaalsContact O-N 3.1Å
245	K	93	Very high	90.7	Very high	56 Å²	56	51.1 Å²	51.1	24%	0.243	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-86.6	-15.7	179.2	-63.2	170.1	177	162.5	0	113	E217 I219 E242 R243 C247 Q248	E217-K245 PolarHBondContact O-NZ 3.04Å; I219-K245 HydrophobicContact CD1-CB 4.35Å; E242-K245 WeakPolarHBondContact O-CB 3.44Å; E242-K245 PolarHBondContact O-N 3.34Å; E242-K245 WeakPolarHBondContact OE2-CE 3.42Å; E242-K245 IonicContact OE2-NZ 2.69Å; E242-K245 PolarHBondContact OE2-NZ 3Å; R243-K245 PolarHBondContact O-N 2.88Å; R243-K245 VanDerWaalsContact O-N 3.1Å; K245-C247 VanDerWaalsContact C-N 3.34Å; K245-C247 PolarHBondContact O-N 3.41Å; K245-Q248 VanDerWaalsContact O-CB 3.24Å; K245-Q248 WeakPolarHBondContact O-CB 3.48Å; K245-Q248 WeakPolarHBondContact O-CG 3.2Å; K245-Q248 PolarHBondContact O-N 3.03Å; K245-Q248 VanDerWaalsContact O-N 3.11Å
246	W	93.8	Very high	90.6	Very high	13 Å²	13	51.1 Å²	51.1	5%	0.049	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-60.6	-39.5	-170.5	-67.2	-5	0	0	0	113.7	L54 V236 G237 R243 Q248 C249 F250 V287 L291	L54-W246 HydrophobicContact CD2-CD2 4.29Å; L54-W246 HydrophobicContact CD2-CG 4.43Å; V236-W246 VanDerWaalsContact CG2-CD1 3.46Å; V236-W246 HydrophobicContact CG2-CG 4.26Å; G237-W246 PolarHBondContact O-NE1 3.45Å; R243-W246 HydrophobicContact CB-CD2 3.94Å; R243-W246 HydrophobicContact CB-CE3 4.01Å; R243-W246 HydrophobicContact CB-CH2 4.29Å; R243-W246 HydrophobicContact CB-CZ2 4.16Å; R243-W246 HydrophobicContact CB-CZ3 4.18Å; R243-W246 HydrophobicContact CG-CD2 4.28Å; R243-W246 HydrophobicContact CG-CE3 4.35Å; R243-W246 HydrophobicContact CG-CH2 3.73Å; R243-W246 HydrophobicContact CG-CZ2 3.57Å; R243-W246 HydrophobicContact CG-CZ3 4.08Å; R243-W246 WeakPolarHBondContact O-CB 3.46Å; R243-W246 VanDerWaalsContact O-CG 3.27Å; R243-W246 PolarHBondContact O-N 2.73Å; R243-W246 VanDerWaalsContact O-N 3.08Å; W246-Q248 PolarHBondContact O-N 3.16Å; W246-Q248 VanDerWaalsContact O-N 3.11Å; W246-C249 PolarHBondContact O-N 3.44Å; W246-F250 HydrophobicContact CB-CE1 4.03Å; W246-F250 HydrophobicContact CB-CZ 4.19Å; W246-F250 WeakPolarHBondContact O-CD1 3.43Å; W246-F250 WeakPolarHBondContact O-CE1 3.47Å; W246-V287 HydrophobicContact CH2-CG1 3.56Å; W246-V287 HydrophobicContact CZ3-CG1 3.75Å; W246-L291 HydrophobicContact CE3-CD1 3.67Å; W246-L291 HydrophobicContact CE3-CD2 3.8Å; W246-L291 HydrophobicContact CE3-CG 4.12Å; W246-L291 HydrophobicContact CH2-CD1 4Å; W246-L291 HydrophobicContact CZ3-CD1 3.23Å; W246-L291 HydrophobicContact CZ3-CD2 4.11Å; W246-L291 HydrophobicContact CZ3-CG 3.9Å
247	C	90.9	Very high	90.5	Very high	84 Å²	84	51.1 Å²	51.1	57%	0.568	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-60.8	-22.4	-180	59.3	0	0	0	0	113.5	K245 C249 F250	K245-C247 VanDerWaalsContact C-N 3.34Å; K245-C247 PolarHBondContact O-N 3.41Å; C247-C249 PolarHBondContact O-N 3.13Å; C247-F250 HydrophobicContact CB-CD2 4.35Å; C247-F250 HydrophobicContact CB-CE2 4.33Å; C247-F250 PolarHBondContact O-N 2.76Å
248	Q	91.6	Very high	90.6	Very high	136 Å²	136	51 Å²	51	64%	0.636	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-65.3	-19.5	176	-56.8	174.8	5.9	0	0	112.1	I219 K245 W246	I219-Q248 HydrophobicContact CD1-CB 4.04Å; K245-Q248 VanDerWaalsContact O-CB 3.24Å; K245-Q248 WeakPolarHBondContact O-CB 3.48Å; K245-Q248 WeakPolarHBondContact O-CG 3.2Å; K245-Q248 PolarHBondContact O-N 3.03Å; K245-Q248 VanDerWaalsContact O-N 3.11Å; W246-Q248 PolarHBondContact O-N 3.16Å; W246-Q248 VanDerWaalsContact O-N 3.11Å
249	C	91.6	Very high	90.9	Very high	9 Å²	9	50.7 Å²	50.7	6%	0.061	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-106.5	8.1	-176.3	-51.3	0	0	0	0	113.3	L52 I219 I234 W246 C247 A251 M253	L52-C249 HydrophobicContact CD1-CB 3.63Å; L52-C249 HydrophobicContact CD2-CB 4.32Å; I219-C249 WeakPolarHBondContact CD1-SG 3.04Å; I234-C249 HydrophobicContact CD1-CB 4.4Å; I234-C249 HydrophobicContact CG2-CB 4.13Å; W246-C249 PolarHBondContact O-N 3.44Å; C247-C249 PolarHBondContact O-N 3.13Å; C249-A251 VanDerWaalsContact C-N 3.35Å; C249-M253 WeakPolarHBondContact O-CE 3.08Å; C249-M253 WeakPolarHBondContact O-CG 3.4Å
250	F	89.5	Confident	91.3	Very high	30 Å²	30	48.1 Å²	48.1	13%	0.132	24%	0.242	C	C	.	.			trans	-83	-11.8	-173.3	-71.6	2.1	0	0	0	113.9	L52 W246 C247 L291 H294 A296 F297	L52-F250 HydrophobicContact CD2-CD1 3.79Å; L52-F250 HydrophobicContact CD2-CE1 3.94Å; W246-F250 HydrophobicContact CB-CE1 4.03Å; W246-F250 HydrophobicContact CB-CZ 4.19Å; W246-F250 WeakPolarHBondContact O-CD1 3.43Å; W246-F250 WeakPolarHBondContact O-CE1 3.47Å; C247-F250 HydrophobicContact CB-CD2 4.35Å; C247-F250 HydrophobicContact CB-CE2 4.33Å; C247-F250 PolarHBondContact O-N 2.76Å; F250-L291 HydrophobicContact CE1-CD2 4.48Å; F250-L291 HydrophobicContact CE2-CD2 4.5Å; F250-L291 HydrophobicContact CZ-CD2 3.67Å; F250-H294 AromaticContact CD2-CE1 3.98Å; F250-H294 AromaticContact CD2-ND1 3.96Å; F250-A296 HydrophobicContact CB-CB 4.04Å; F250-A296 HydrophobicContact CD2-CB 4.19Å; F250-A296 HydrophobicContact CG-CB 4.45Å; F250-F297 HydrophobicContact CB-CE1 4.49Å; F250-F297 AromaticContact CD1-CE1 3.84Å; F250-F297 HydrophobicContact CD1-CE1 3.84Å; F250-F297 AromaticContact CD1-CZ 3.53Å; F250-F297 HydrophobicContact CD1-CZ 3.53Å; F250-F297 HydrophobicContact CD2-CZ 4.25Å; F250-F297 HydrophobicContact CE1-CE1 4.2Å; F250-F297 HydrophobicContact CE1-CE2 4.24Å; F250-F297 AromaticContact CE1-CZ 3.42Å; F250-F297 HydrophobicContact CE1-CZ 3.42Å; F250-F297 VanDerWaalsContact CE1-CZ 3.42Å; F250-F297 HydrophobicContact CE2-CE2 4.45Å; F250-F297 HydrophobicContact CE2-CZ 4.14Å; F250-F297 HydrophobicContact CG-CE1 4.05Å; F250-F297 AromaticContact CG-CZ 3.98Å; F250-F297 HydrophobicContact CG-CZ 3.98Å; F250-F297 HydrophobicContact CZ-CE2 4.14Å; F250-F297 AromaticContact CZ-CZ 3.74Å; F250-F297 HydrophobicContact CZ-CZ 3.74Å
251	A	84.9	Confident	91.7	Very high	65 Å²	65	44.6 Å²	44.6	54%	0.537	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	142.2	177	0	0	0	0	0	111	C249 M253	C249-A251 VanDerWaalsContact C-N 3.35Å; A251-M253 WeakPolarHBondContact O-CE 3.35Å; A251-M253 PolarHBondContact O-N 3.14Å
252	D	82	Confident	92.2	Very high	152 Å²	152	39.6 Å²	39.6	81%	0.813	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	21.3	168.9	-53.8	-40.4	0	0	0	116.5	T254	D252-T254 PolarHBondContact O-N 3.19Å
253	M	87.7	Confident	92.4	Very high	11 Å²	11	39.1 Å²	39.1	5%	0.054	20%	0.197	C	C	.	.			trans	-71.1	128.5	176.7	-65	-59.2	110.8	0	0	111.8	M50 L52 I234 C249 A251 V300	M50-M253 HydrophobicContact CB-CE 3.7Å; M50-M253 HydrophobicContact CB-SD 3.86Å; M50-M253 HydrophobicContact CE-CE 4.02Å; M50-M253 HydrophobicContact CG-CE 4.27Å; L52-M253 HydrophobicContact CB-CG 4.13Å; L52-M253 HydrophobicContact CB-SD 3.71Å; L52-M253 HydrophobicContact CD2-CG 4.39Å; I234-M253 HydrophobicContact CD1-CE 3.43Å; I234-M253 VanDerWaalsContact CD1-CE 3.43Å; I234-M253 HydrophobicContact CD1-SD 3.95Å; C249-M253 WeakPolarHBondContact O-CE 3.08Å; C249-M253 WeakPolarHBondContact O-CG 3.4Å; A251-M253 WeakPolarHBondContact O-CE 3.35Å; A251-M253 PolarHBondContact O-N 3.14Å; M253-V300 HydrophobicContact CB-CG1 4.44Å
254	T	87.8	Confident	92.6	Very high	11 Å²	11	36.9 Å²	36.9	7%	0.067	19%	0.189	C	C	.	.	S	Bend	trans	-74.6	-49.9	170.1	-60.1	0	0	0	0	110.1	Q49 M50 D252 S301 V429 N433 R436	Q49-T254 PolarHBondContact OE1-OG1 2.8Å; M50-T254 PolarHBondContact N-OG1 3.32Å; M50-T254 WeakPolarHBondContact O-CA 3.38Å; M50-T254 WeakPolarHBondContact O-CB 3.31Å; M50-T254 PolarHBondContact O-N 3.01Å; D252-T254 PolarHBondContact O-N 3.19Å; T254-S301 PolarHBondContact O-N 2.71Å; T254-V429 HydrophobicContact CG2-CG1 3.91Å; T254-N433 WeakPolarHBondContact CG2-OD1 3.32Å; T254-R436 PolarHBondContact O-NH2 3.3Å
255	S	90.4	Very high	92.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	150.8	-175.5	-61.3	0	0	0	0	111.6	M50 I51 L52 S301	M50-S255 PolarHBondContact O-N 3.26Å; M50-S255 VanDerWaalsContact O-N 3.16Å; I51-S255 WeakPolarHBondContact CA-O 3.4Å; L52-S255 PolarHBondContact N-O 3.2Å; S255-S301 CarbonylContact C-O 3.53Å; S255-S301 WeakPolarHBondContact CA-O 3.38Å
256	V	93.3	Very high	93	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.012	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	126.3	164.6	168.4	0	0	0	0	107.4	L52 L54 F258 F297 V300 S301 I303	L52-V256 HydrophobicContact CB-CG2 4.46Å; L54-V256 HydrophobicContact CB-CG1 4.41Å; L54-V256 HydrophobicContact CD1-CG1 3.7Å; L54-V256 HydrophobicContact CD1-CG2 4.38Å; L54-V256 HydrophobicContact CG-CG1 4.2Å; V256-F258 HydrophobicContact CG1-CB 4.49Å; V256-F297 HydrophobicContact CG2-CD1 3.74Å; V256-F297 HydrophobicContact CG2-CD2 4.4Å; V256-F297 HydrophobicContact CG2-CE1 3.6Å; V256-F297 HydrophobicContact CG2-CE2 4.29Å; V256-F297 HydrophobicContact CG2-CG 4.15Å; V256-F297 HydrophobicContact CG2-CZ 3.89Å; V256-V300 HydrophobicContact CB-CG1 4.46Å; V256-V300 HydrophobicContact CG2-CG1 3.94Å; V256-S301 PolarHBondContact N-O 3.14Å; V256-I303 PolarHBondContact O-N 3.01Å
257	L	95.4	Very high	93.1	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	105.9	169	176.5	59.2	0	0	0	108.5	I51 L52 L53 L54 F64 L259 I303 F305 M425	I51-L257 HydrophobicContact CG2-CB 3.9Å; L52-L257 PolarHBondContact O-N 3.38Å; L53-L257 WeakPolarHBondContact CA-O 3.47Å; L53-L257 HydrophobicContact CD2-CB 3.93Å; L53-L257 HydrophobicContact CD2-CD2 3.62Å; L53-L257 HydrophobicContact CD2-CG 4.03Å; L54-L257 PolarHBondContact N-O 3.17Å; F64-L257 HydrophobicContact CD1-CD2 4.18Å; F64-L257 HydrophobicContact CE1-CD2 3.67Å; F64-L257 HydrophobicContact CZ-CD2 3.9Å; L257-L259 HydrophobicContact CD2-CD1 4.25Å; L257-L259 HydrophobicContact CG-CD1 3.88Å; L257-I303 CarbonylContact C-O 3.48Å; L257-I303 WeakPolarHBondContact CA-O 3.4Å; L257-I303 HydrophobicContact CD1-CB 3.78Å; L257-I303 HydrophobicContact CD1-CG2 3.49Å; L257-I303 VanDerWaalsContact CD1-CG2 3.49Å; L257-F305 HydrophobicContact CD1-CB 4.44Å; L257-F305 HydrophobicContact CD1-CD1 3.63Å; L257-F305 HydrophobicContact CD1-CD2 3.81Å; L257-F305 HydrophobicContact CD1-CE1 3.64Å; L257-F305 HydrophobicContact CD1-CE2 3.83Å; L257-F305 HydrophobicContact CD1-CG 3.7Å; L257-F305 HydrophobicContact CD1-CZ 3.73Å; L257-F305 HydrophobicContact CD2-CD2 4.09Å; L257-F305 HydrophobicContact CD2-CE2 3.68Å; L257-F305 HydrophobicContact CD2-CZ 4.04Å; L257-F305 HydrophobicContact CG-CD2 4.35Å; L257-F305 HydrophobicContact CG-CE2 4.33Å; L257-M425 HydrophobicContact CD2-SD 4.19Å
258	F	97.2	Very high	93.3	Very high	1 Å²	1	22.9 Å²	22.9	0%	0.004	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	116.3	-179	-164.3	-82.3	0	0	0	110.5	L54 V256 I260 V287 F288 L291 I303 I304 F305 F350	L54-F258 HydrophobicContact CB-CD2 3.64Å; L54-F258 HydrophobicContact CB-CE2 4.16Å; L54-F258 HydrophobicContact CB-CG 4.48Å; V256-F258 HydrophobicContact CG1-CB 4.49Å; F258-I260 HydrophobicContact CD1-CD1 4.3Å; F258-I260 HydrophobicContact CD1-CG1 3.73Å; F258-I260 HydrophobicContact CE1-CD1 4.5Å; F258-I260 HydrophobicContact CE1-CG1 3.75Å; F258-V287 HydrophobicContact CE2-CG1 4.05Å; F258-V287 HydrophobicContact CZ-CG1 3.94Å; F258-F288 HydrophobicContact CB-CD2 4.27Å; F258-F288 HydrophobicContact CB-CE2 4.35Å; F258-F288 AromaticContact CD1-CD2 3.69Å; F258-F288 HydrophobicContact CD1-CD2 3.69Å; F258-F288 HydrophobicContact CD1-CE2 4.44Å; F258-F288 AromaticContact CD2-CD2 3.82Å; F258-F288 HydrophobicContact CD2-CD2 3.82Å; F258-F288 HydrophobicContact CE1-CB 3.87Å; F258-F288 AromaticContact CE1-CD2 3.9Å; F258-F288 HydrophobicContact CE1-CD2 3.9Å; F258-F288 HydrophobicContact CE1-CG 4.32Å; F258-F288 HydrophobicContact CE2-CB 4.09Å; F258-F288 HydrophobicContact CE2-CD2 4.01Å; F258-F288 AromaticContact CG-CD2 3.66Å; F258-F288 HydrophobicContact CG-CD2 3.66Å; F258-F288 HydrophobicContact CG-CE2 4.23Å; F258-F288 HydrophobicContact CZ-CB 3.61Å; F258-F288 HydrophobicContact CZ-CD2 4.05Å; F258-F288 HydrophobicContact CZ-CG 4.34Å; F258-L291 HydrophobicContact CE2-CD1 3.94Å; F258-I303 PolarHBondContact N-O 3.38Å; F258-I304 WeakPolarHBondContact O-CA 3.28Å; F258-F305 PolarHBondContact O-N 3.2Å; F258-F350 HydrophobicContact CE1-CE1 4.42Å
259	L	98	Very high	93.4	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	130.7	179.2	-71.6	92	0	0	0	111	L53 L54 G55 S59 K61 F64 L257 F305	L53-L259 HydrophobicContact CD2-CD1 4.27Å; L54-L259 PolarHBondContact O-N 3.37Å; G55-L259 WeakPolarHBondContact CA-O 3.33Å; S59-L259 WeakPolarHBondContact CB-O 3.48Å; S59-L259 PolarHBondContact OG-O 3.36Å; K61-L259 HydrophobicContact CG-CB 4.33Å; K61-L259 HydrophobicContact CG-CD1 3.9Å; F64-L259 HydrophobicContact CB-CD2 4.07Å; L257-L259 HydrophobicContact CD2-CD1 4.25Å; L257-L259 HydrophobicContact CG-CD1 3.88Å; L259-F305 HydrophobicContact CD2-CD2 4.46Å; L259-F305 HydrophobicContact CG-CB 4.14Å; L259-F305 HydrophobicContact CG-CD2 4.42Å
260	I	98.4	Very high	93.4	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	127.7	177.8	-58.4	160.7	0	0	0	107.6	F258 S262 L281 I304 F305 F306 N307 F350	F258-I260 HydrophobicContact CD1-CD1 4.3Å; F258-I260 HydrophobicContact CD1-CG1 3.73Å; F258-I260 HydrophobicContact CE1-CD1 4.5Å; F258-I260 HydrophobicContact CE1-CG1 3.75Å; I260-S262 PolarHBondContact O-N 3.26Å; I260-L281 HydrophobicContact CG2-CD1 3.65Å; I260-I304 HydrophobicContact CD1-CG2 3.4Å; I260-I304 VanDerWaalsContact CD1-CG2 3.4Å; I260-I304 HydrophobicContact CG1-CG2 4.34Å; I260-F305 PolarHBondContact N-O 2.86Å; I260-F306 HydrophobicContact CB-CD1 4.43Å; I260-F306 HydrophobicContact CD1-CD1 3.95Å; I260-F306 HydrophobicContact CD1-CE1 3.59Å; I260-F306 HydrophobicContact CD1-CZ 4.05Å; I260-F306 HydrophobicContact CG2-CD1 4.5Å; I260-N307 WeakPolarHBondContact O-CA 3.41Å; I260-N307 WeakPolarHBondContact O-CB 3.31Å; I260-N307 PolarHBondContact O-N 3.11Å; I260-F350 HydrophobicContact CD1-CD1 3.47Å; I260-F350 VanDerWaalsContact CD1-CD1 3.47Å; I260-F350 HydrophobicContact CD1-CD2 3.94Å; I260-F350 HydrophobicContact CD1-CE1 3.33Å; I260-F350 HydrophobicContact CD1-CE2 3.81Å; I260-F350 HydrophobicContact CD1-CG 3.78Å; I260-F350 HydrophobicContact CD1-CZ 3.51Å; I260-F350 HydrophobicContact CG1-CD1 4.41Å; I260-F350 HydrophobicContact CG1-CE1 3.82Å; I260-F350 HydrophobicContact CG1-CZ 3.88Å; I260-F350 HydrophobicContact CG2-CE2 4.21Å; I260-F350 HydrophobicContact CG2-CZ 3.96Å
261	A	97.7	Very high	93.2	Very high	2 Å²	2	19.7 Å²	19.7	2%	0.017	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	98.4	167.7	0	0	0	0	0	109.2	S263 H264 K308	A261-S263 PolarHBondContact O-N 3.33Å; A261-H264 HydrophobicContact CB-CB 4.35Å; A261-H264 WeakPolarHBondContact CB-CE1 3.48Å; A261-H264 WeakPolarHBondContact CB-ND1 3.47Å; A261-H264 WeakPolarHBondContact O-CB 3.29Å; A261-H264 PolarHBondContact O-N 3.42Å; A261-H264 VanDerWaalsContact O-N 3.16Å; A261-K308 HydrophobicContact CB-CD 3.77Å; A261-K308 HydrophobicContact CB-CG 4.35Å
262	S	97.6	Very high	93.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-65.3	-25.4	-176.7	-66.5	0	0	0	0	113.2	I260 H264 F306 N307 M346	I260-S262 PolarHBondContact O-N 3.26Å; S262-H264 PolarHBondContact O-N 2.71Å; S262-F306 WeakPolarHBondContact OG-CB 3.46Å; S262-N307 WeakPolarHBondContact CB-O 3.44Å; S262-N307 PolarHBondContact N-O 3.39Å; S262-M346 WeakPolarHBondContact O-CE 3.23Å
263	S	96.6	Very high	93.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-70.7	-12.2	176	65.8	0	0	0	0	114.1	A261 Y265 K308 K315	A261-S263 PolarHBondContact O-N 3.33Å; S263-Y265 PolarHBondContact O-N 3.1Å; S263-K308 WeakPolarHBondContact OG-CD 3.36Å; S263-K315 PolarHBondContact O-NZ 3.48Å
264	H	96.5	Very high	93.1	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.019	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-81	13.2	-175.3	-72.4	-175.3	0	0	0	114.2	A261 S262 D266 E267 K280 K308	A261-H264 HydrophobicContact CB-CB 4.35Å; A261-H264 WeakPolarHBondContact CB-CE1 3.48Å; A261-H264 WeakPolarHBondContact CB-ND1 3.47Å; A261-H264 WeakPolarHBondContact O-CB 3.29Å; A261-H264 PolarHBondContact O-N 3.42Å; A261-H264 VanDerWaalsContact O-N 3.16Å; S262-H264 PolarHBondContact O-N 2.71Å; H264-D266 PolarHBondContact O-N 2.81Å; H264-E267 HydrophobicContact CB-CB 4.48Å; H264-E267 IonicContact CD2-OE1 3.28Å; H264-E267 PolarHBondContact CD2-OE1 3.36Å; H264-E267 IonicContact CD2-OE2 2.68Å; H264-E267 IonicContact NE2-OE2 3.92Å; H264-E267 PolarHBondContact O-N 2.88Å; H264-K280 HydrophobicContact CB-CB 3.73Å; H264-K280 HydrophobicContact CB-CD 4.48Å; H264-K308 PolarHBondContact NE2-NZ 3.5Å
265	Y	96.9	Very high	93.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-63.6	-26	-175.6	71.2	-93.9	0	0	0	113.1	S263 N279 L312 K315 L316 S321 I323 E326	S263-Y265 PolarHBondContact O-N 3.1Å; Y265-N279 PolarHBondContact O-ND2 3.37Å; Y265-L312 HydrophobicContact CD1-CD1 3.78Å; Y265-L312 HydrophobicContact CE1-CD1 3.65Å; Y265-K315 HydrophobicContact CE1-CB 4.23Å; Y265-K315 HydrophobicContact CE1-CD 4.17Å; Y265-L316 HydrophobicContact CE1-CD2 4.28Å; Y265-S321 PolarHBondContact OH-O 2.95Å; Y265-S321 PolarHBondContact OH-OG 3.06Å; Y265-I323 HydrophobicContact CD2-CB 3.86Å; Y265-I323 HydrophobicContact CD2-CG1 4.02Å; Y265-I323 HydrophobicContact CE2-CB 4.22Å; Y265-I323 HydrophobicContact CG-CB 4.43Å; Y265-I323 HydrophobicContact CG-CD1 4.36Å; Y265-I323 HydrophobicContact CG-CG1 4.23Å; Y265-E326 WeakPolarHBondContact O-CB 3.28Å; Y265-E326 WeakPolarHBondContact O-CG 3.32Å
266	D	95.7	Very high	93.2	Very high	13 Å²	13	37.6 Å²	37.6	7%	0.07	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-113.7	18.1	179.9	67.2	-21.5	0	0	0	112.7	S176 H264 K315 S321	S176-D266 WeakPolarHBondContact CB-O 3.24Å; S176-D266 WeakPolarHBondContact CB-OD2 3.27Å; S176-D266 PolarHBondContact OG-OD2 2.81Å; H264-D266 PolarHBondContact O-N 2.81Å; D266-K315 IonicContact OD1-NZ 3.55Å; D266-K315 PolarHBondContact OD1-NZ 3.45Å; D266-K315 IonicContact OD2-NZ 2.65Å; D266-S321 WeakPolarHBondContact OD2-CB 3.39Å; D266-S321 PolarHBondContact OD2-OG 3.29Å
267	E	95.6	Very high	93.1	Very high	5 Å²	5	44.1 Å²	44.1	2%	0.023	21%	0.205	C	C	.	.			trans	-111.2	137.4	-177.7	-76.4	-177.4	-135.6	0	0	112.3	T180 H264 N279 K280 K315	T180-E267 HydrophobicContact CG2-CG 4.35Å; T180-E267 PolarHBondContact OG1-OE2 3.26Å; H264-E267 HydrophobicContact CB-CB 4.48Å; H264-E267 IonicContact CD2-OE1 3.28Å; H264-E267 PolarHBondContact CD2-OE1 3.36Å; H264-E267 IonicContact CD2-OE2 2.68Å; H264-E267 IonicContact NE2-OE2 3.92Å; H264-E267 PolarHBondContact O-N 2.88Å; E267-N279 WeakPolarHBondContact O-CA 3.26Å; E267-K280 HydrophobicContact CB-CB 4.37Å; E267-K280 HydrophobicContact CB-CD 3.84Å; E267-K280 HydrophobicContact CB-CG 4.22Å; E267-K280 WeakPolarHBondContact O-CB 3.38Å; E267-K280 PolarHBondContact O-N 2.9Å; E267-K280 IonicContact OE2-NZ 3.05Å; E267-K280 PolarHBondContact OE2-NZ 3.03Å; E267-K315 IonicContact OE1-NZ 2.79Å; E267-K315 PolarHBondContact OE1-NZ 3.47Å
268	H	94.9	Very high	93	Very high	39 Å²	39	47.6 Å²	47.6	18%	0.181	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	150.7	-179.9	-54	78.8	0	0	0	112.2	I179 T180 R278 E326	I179-H268 HydrophobicContact CD1-CB 3.86Å; T180-H268 PolarHBondContact N-O 3.15Å; H268-R278 CarbonylContact C-O 3.59Å; H268-R278 VanDerWaalsContact CA-O 3.23Å; H268-R278 WeakPolarHBondContact CA-O 3.4Å; H268-E326 IonicContact CD2-OE2 2.82Å; H268-E326 VanDerWaalsContact CE1-CD 3.47Å; H268-E326 IonicContact CE1-OE1 3.08Å; H268-E326 PolarHBondContact CE1-OE1 3.5Å; H268-E326 IonicContact CE1-OE2 3.22Å; H268-E326 IonicContact NE2-OE1 2.82Å; H268-E326 PolarHBondContact NE2-OE1 3.32Å; H268-E326 IonicContact NE2-OE2 3.04Å; H268-E326 PolarHBondContact NE2-OE2 2.95Å
269	Y	92.8	Very high	92.9	Very high	24 Å²	24	48 Å²	48	9%	0.094	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	159.7	165.3	75.4	-81	0	0	0	109.4	D271 R278 K280 E283	Y269-D271 HydrophobicContact CE2-CB 4.35Å; Y269-R278 HydrophobicContact CD1-CB 4.07Å; Y269-R278 WeakPolarHBondContact CD1-O 3.48Å; Y269-R278 HydrophobicContact CE1-CB 3.52Å; Y269-R278 HydrophobicContact CE2-CB 4.4Å; Y269-R278 PolarHBondContact N-O 3.33Å; Y269-R278 PolarHBondContact O-N 3.26Å; Y269-R278 VanDerWaalsContact OH-CD 3.29Å; Y269-R278 WeakPolarHBondContact OH-CD 3.46Å; Y269-K280 HydrophobicContact CD1-CG 4.01Å; Y269-E283 HydrophobicContact CE1-CB 3.99Å; Y269-E283 HydrophobicContact CE1-CG 4Å; Y269-E283 PolarHBondContact OH-OE2 3.39Å
270	Q	92.1	Very high	92.8	Very high	67 Å²	67	48.6 Å²	48.6	31%	0.313	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	121.9	171.6	-168.8	177.1	35.1	0	0	109	R272 K275 E276	Q270-R272 PolarHBondContact O-N 3.05Å; Q270-K275 WeakPolarHBondContact CG-O 3.41Å; Q270-K275 PolarHBondContact NE2-O 3.35Å; Q270-E276 WeakPolarHBondContact CA-O 3.48Å
271	D	85.4	Confident	92.8	Very high	17 Å²	17	48.8 Å²	48.8	9%	0.091	22%	0.223	C	C	.	.			trans	-62	124.6	172.9	-174.4	-71.1	0	0	0	109.2	Y269 L273 T274 K275 E276	Y269-D271 HydrophobicContact CE2-CB 4.35Å; D271-L273 PolarHBondContact O-N 3.35Å; D271-L273 WeakPolarHBondContact OD1-CA 3.46Å; D271-L273 WeakPolarHBondContact OD1-CB 3.4Å; D271-L273 PolarHBondContact OD1-N 2.99Å; D271-T274 WeakPolarHBondContact CB-OG1 3.41Å; D271-T274 PolarHBondContact OD1-N 3.21Å; D271-K275 WeakPolarHBondContact O-CA 3.41Å; D271-K275 PolarHBondContact O-N 3.05Å; D271-E276 PolarHBondContact N-O 2.89Å
272	R	83.6	Confident	92.7	Very high	164 Å²	164	51.9 Å²	51.9	62%	0.619	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-28.8	-173.2	-65.4	-174.5	-176.8	-159.7	-0.7	113	E181 Q270 K275	E181-R272 IonicContact OE1-CZ 2.68Å; E181-R272 VanDerWaalsContact OE1-CZ 3.28Å; E181-R272 IonicContact OE1-NE 3.57Å; E181-R272 PolarHBondContact OE1-NE 3.03Å; E181-R272 IonicContact OE1-NH2 2.82Å; E181-R272 PolarHBondContact OE1-NH2 3.12Å; Q270-R272 PolarHBondContact O-N 3.05Å; R272-K275 WeakPolarHBondContact O-CE 3.49Å; R272-K275 PolarHBondContact O-NZ 3.36Å
273	L	81.8	Confident	92.6	Very high	160 Å²	160	52.8 Å²	52.8	84%	0.838	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-52.1	-176.7	-60.2	174.2	0	0	0	110.8	D271	D271-L273 PolarHBondContact O-N 3.35Å; D271-L273 WeakPolarHBondContact OD1-CA 3.46Å; D271-L273 WeakPolarHBondContact OD1-CB 3.4Å; D271-L273 PolarHBondContact OD1-N 2.99Å
274	T	88	Confident	92.7	Very high	67 Å²	67	52.9 Å²	52.9	41%	0.411	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-15	-175.8	69.9	0	0	0	0	113.3	D271 E276	D271-T274 WeakPolarHBondContact CB-OG1 3.41Å; D271-T274 PolarHBondContact OD1-N 3.21Å; T274-E276 PolarHBondContact O-N 3.38Å; T274-E276 VanDerWaalsContact O-N 3.16Å; T274-E276 WeakPolarHBondContact OG1-CB 3.42Å; T274-E276 WeakPolarHBondContact OG1-CG 3.34Å; T274-E276 PolarHBondContact OG1-N 3.48Å; T274-E276 PolarHBondContact OG1-OE2 3.29Å
275	K	88.8	Confident	92.7	Very high	124 Å²	124	54 Å²	54	54%	0.539	25%	0.248	S	C	.	.			trans	61.9	8.7	-172	-55.1	-54.4	-171.1	-164.6	0	114.6	Q270 D271 R272	Q270-K275 WeakPolarHBondContact CG-O 3.41Å; Q270-K275 PolarHBondContact NE2-O 3.35Å; D271-K275 WeakPolarHBondContact O-CA 3.41Å; D271-K275 PolarHBondContact O-N 3.05Å; R272-K275 WeakPolarHBondContact O-CE 3.49Å; R272-K275 PolarHBondContact O-NZ 3.36Å
276	E	90.8	Very high	92.6	Very high	100 Å²	100	58.5 Å²	58.5	47%	0.467	28%	0.275	S	S	.	.			trans	-72.6	139.3	178.1	-66.5	169.9	156.8	0	0	111	Q270 D271 T274 R278	Q270-E276 WeakPolarHBondContact CA-O 3.48Å; D271-E276 PolarHBondContact N-O 2.89Å; T274-E276 PolarHBondContact O-N 3.38Å; T274-E276 VanDerWaalsContact O-N 3.16Å; T274-E276 WeakPolarHBondContact OG1-CB 3.42Å; T274-E276 WeakPolarHBondContact OG1-CG 3.34Å; T274-E276 PolarHBondContact OG1-N 3.48Å; T274-E276 PolarHBondContact OG1-OE2 3.29Å; E276-R278 HydrophobicContact CB-CG 4.46Å; E276-R278 IonicContact OE2-CZ 2.73Å; E276-R278 IonicContact OE2-NE 3.45Å; E276-R278 PolarHBondContact OE2-NE 3.13Å; E276-R278 IonicContact OE2-NH2 2.84Å; E276-R278 PolarHBondContact OE2-NH2 2.92Å
277	F	91.4	Very high	92.6	Very high	138 Å²	138	58.4 Å²	58.4	61%	0.605	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.8	126.9	168.9	-67.1	-83.7	0	0	0	109.3	I179	I179-F277 HydrophobicContact CD1-CD1 3.31Å; I179-F277 HydrophobicContact CD1-CE1 3.5Å; I179-F277 HydrophobicContact CG1-CD1 4.03Å; I179-F277 HydrophobicContact CG1-CE1 3.65Å
278	R	93	Very high	92.7	Very high	73 Å²	73	58.2 Å²	58.2	28%	0.275	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	133.8	-176	-66.6	-177.3	178.7	-157.1	0.6	111	H268 Y269 E276	H268-R278 CarbonylContact C-O 3.59Å; H268-R278 VanDerWaalsContact CA-O 3.23Å; H268-R278 WeakPolarHBondContact CA-O 3.4Å; Y269-R278 HydrophobicContact CD1-CB 4.07Å; Y269-R278 WeakPolarHBondContact CD1-O 3.48Å; Y269-R278 HydrophobicContact CE1-CB 3.52Å; Y269-R278 HydrophobicContact CE2-CB 4.4Å; Y269-R278 PolarHBondContact N-O 3.33Å; Y269-R278 PolarHBondContact O-N 3.26Å; Y269-R278 VanDerWaalsContact OH-CD 3.29Å; Y269-R278 WeakPolarHBondContact OH-CD 3.46Å; E276-R278 HydrophobicContact CB-CG 4.46Å; E276-R278 IonicContact OE2-CZ 2.73Å; E276-R278 IonicContact OE2-NE 3.45Å; E276-R278 PolarHBondContact OE2-NE 3.13Å; E276-R278 IonicContact OE2-NH2 2.84Å; E276-R278 PolarHBondContact OE2-NH2 2.92Å
279	N	96	Very high	92.7	Very high	9 Å²	9	60.7 Å²	60.7	5%	0.048	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	131.7	173	-179.8	-77.3	0	0	0	110.6	Y265 E267 L281 H282 E283 E326	Y265-N279 PolarHBondContact O-ND2 3.37Å; E267-N279 WeakPolarHBondContact O-CA 3.26Å; N279-L281 PolarHBondContact O-N 3.15Å; N279-L281 WeakPolarHBondContact OD1-CA 3.2Å; N279-L281 WeakPolarHBondContact OD1-CB 3.43Å; N279-L281 PolarHBondContact OD1-N 3.15Å; N279-H282 HydrophobicContact CB-CB 4.1Å; N279-H282 PolarHBondContact O-N 2.83Å; N279-H282 PolarHBondContact OD1-N 2.93Å; N279-E283 PolarHBondContact O-N 2.9Å; N279-E326 WeakPolarHBondContact CB-OE2 3.39Å; N279-E326 WeakPolarHBondContact ND2-CG 3.38Å; N279-E326 PolarHBondContact ND2-OE2 3.04Å
280	K	96.2	Very high	92.7	Very high	15 Å²	15	62.1 Å²	62.1	7%	0.065	31%	0.308	C	S	.	.	H	α-helix	trans	-68	-30.1	-175.4	-76.3	-170.9	-172	178.2	0	113	E58 T180 H264 E267 Y269 A284	E58-K280 IonicContact OE2-NZ 3.89Å; E58-K280 PolarHBondContact OE2-NZ 3.11Å; T180-K280 PolarHBondContact O-NZ 3.37Å; T180-K280 WeakPolarHBondContact OG1-CE 3.23Å; T180-K280 PolarHBondContact OG1-NZ 2.89Å; H264-K280 HydrophobicContact CB-CB 3.73Å; H264-K280 HydrophobicContact CB-CD 4.48Å; E267-K280 HydrophobicContact CB-CB 4.37Å; E267-K280 HydrophobicContact CB-CD 3.84Å; E267-K280 HydrophobicContact CB-CG 4.22Å; E267-K280 WeakPolarHBondContact O-CB 3.38Å; E267-K280 PolarHBondContact O-N 2.9Å; E267-K280 IonicContact OE2-NZ 3.05Å; E267-K280 PolarHBondContact OE2-NZ 3.03Å; Y269-K280 HydrophobicContact CD1-CG 4.01Å; K280-A284 PolarHBondContact O-N 3.49Å
281	L	97.4	Very high	92.7	Very high	3 Å²	3	59.7 Å²	59.7	2%	0.016	30%	0.297	C	S	.	.	H	α-helix	trans	-78.8	-40	176.6	-176.8	60.6	0	0	0	112	I260 N279 E283 A284 M285 F327 M346 F350	I260-L281 HydrophobicContact CG2-CD1 3.65Å; N279-L281 PolarHBondContact O-N 3.15Å; N279-L281 WeakPolarHBondContact OD1-CA 3.2Å; N279-L281 WeakPolarHBondContact OD1-CB 3.43Å; N279-L281 PolarHBondContact OD1-N 3.15Å; L281-E283 VanDerWaalsContact C-N 3.29Å; L281-E283 PolarHBondContact O-N 3.48Å; L281-A284 WeakPolarHBondContact O-CB 3.45Å; L281-A284 PolarHBondContact O-N 2.94Å; L281-A284 VanDerWaalsContact O-N 3.07Å; L281-M285 PolarHBondContact O-N 2.83Å; L281-F327 HydrophobicContact CB-CE2 4.38Å; L281-F327 HydrophobicContact CB-CZ 3.93Å; L281-F327 HydrophobicContact CD2-CE2 3.86Å; L281-F327 HydrophobicContact CD2-CZ 3.64Å; L281-F327 HydrophobicContact CG-CE2 4.38Å; L281-F327 HydrophobicContact CG-CZ 3.77Å; L281-M346 HydrophobicContact CD2-CE 3.89Å; L281-M346 HydrophobicContact CD2-CG 4.5Å; L281-F350 HydrophobicContact CD1-CE2 4.04Å; L281-F350 HydrophobicContact CD1-CZ 4.24Å
282	H	96.4	Very high	93	Very high	68 Å²	68	59 Å²	59	32%	0.315	29%	0.293	S	S	.	.	H	α-helix	trans	-58.1	-42.5	169.8	-84.5	-62.5	0	0	0	111.7	N279 A284 M285 V286 E326 F327	N279-H282 HydrophobicContact CB-CB 4.1Å; N279-H282 PolarHBondContact O-N 2.83Å; N279-H282 PolarHBondContact OD1-N 2.93Å; H282-A284 VanDerWaalsContact C-N 3.28Å; H282-A284 PolarHBondContact O-N 2.75Å; H282-M285 WeakPolarHBondContact O-CB 3.49Å; H282-M285 PolarHBondContact O-N 2.85Å; H282-M285 VanDerWaalsContact O-N 3.1Å; H282-V286 PolarHBondContact O-N 3.3Å; H282-E326 PolarHBondContact NE2-O 3.46Å; H282-F327 AromaticContact CD2-CE1 3.95Å; H282-F327 AromaticContact CD2-CZ 3.81Å; H282-F327 AromaticContact CE1-CD1 3.65Å; H282-F327 AromaticContact CE1-CE1 3.31Å; H282-F327 WeakPolarHBondContact CE1-CE1 3.19Å; H282-F327 AromaticContact CE1-CZ 3.97Å; H282-F327 AromaticContact ND1-CE1 3.72Å; H282-F327 AromaticContact NE2-CD1 3.76Å; H282-F327 AromaticContact NE2-CE1 3.46Å; H282-F327 WeakPolarHBondContact NE2-CE1 3.45Å; H282-F327 AromaticContact NE2-CZ 3.72Å
283	E	95.2	Very high	93.4	Very high	18 Å²	18	52.5 Å²	52.5	8%	0.084	27%	0.271	C	S	.	.	H	α-helix	trans	-57.9	-41	173.3	178.8	66.8	-162.6	0	0	111.9	T56 R243 Y269 N279 L281 M285 V286 V287	T56-E283 HydrophobicContact CG2-CG 3.94Å; R243-E283 IonicContact CZ-OE1 2.7Å; R243-E283 IonicContact NH1-OE1 3.92Å; R243-E283 PolarHBondContact NH1-OE1 3.07Å; R243-E283 IonicContact NH2-OE1 3.64Å; R243-E283 PolarHBondContact NH2-OE1 3.41Å; Y269-E283 HydrophobicContact CE1-CB 3.99Å; Y269-E283 HydrophobicContact CE1-CG 4Å; Y269-E283 PolarHBondContact OH-OE2 3.39Å; N279-E283 PolarHBondContact O-N 2.9Å; L281-E283 VanDerWaalsContact C-N 3.29Å; L281-E283 PolarHBondContact O-N 3.48Å; E283-M285 VanDerWaalsContact C-N 3.31Å; E283-M285 PolarHBondContact O-N 2.87Å; E283-V286 PolarHBondContact O-N 3.43Å; E283-V287 WeakPolarHBondContact O-CB 3.3Å; E283-V287 VanDerWaalsContact O-CG2 3.25Å; E283-V287 WeakPolarHBondContact O-CG2 3.46Å; E283-V287 PolarHBondContact O-N 2.73Å
284	A	97.6	Very high	93.8	Very high	2 Å²	2	48.8 Å²	48.8	2%	0.017	25%	0.249	C	C	.	.	H	α-helix	trans	-64.4	-35.7	176.5	0	0	0	0	0	112.4	T56 K280 L281 H282 F288 F350	T56-A284 HydrophobicContact CG2-CB 3.96Å; K280-A284 PolarHBondContact O-N 3.49Å; L281-A284 WeakPolarHBondContact O-CB 3.45Å; L281-A284 PolarHBondContact O-N 2.94Å; L281-A284 VanDerWaalsContact O-N 3.07Å; H282-A284 VanDerWaalsContact C-N 3.28Å; H282-A284 PolarHBondContact O-N 2.75Å; A284-F288 VanDerWaalsContact O-CB 3.24Å; A284-F288 WeakPolarHBondContact O-CB 3.23Å; A284-F288 PolarHBondContact O-N 2.87Å; A284-F350 HydrophobicContact CB-CZ 4.18Å
285	M	97.7	Very high	93.7	Very high	29 Å²	29	50 Å²	50	14%	0.143	25%	0.252	C	S	.	.	H	α-helix	trans	-64.7	-49.7	174	-68.6	169.6	50.2	0	0	111.9	L281 H282 E283 V287 F288 E289 F327 V349 F350 L353	L281-M285 PolarHBondContact O-N 2.83Å; H282-M285 WeakPolarHBondContact O-CB 3.49Å; H282-M285 PolarHBondContact O-N 2.85Å; H282-M285 VanDerWaalsContact O-N 3.1Å; E283-M285 VanDerWaalsContact C-N 3.31Å; E283-M285 PolarHBondContact O-N 2.87Å; M285-V287 VanDerWaalsContact C-N 3.31Å; M285-V287 PolarHBondContact O-N 3.18Å; M285-F288 PolarHBondContact O-N 3.15Å; M285-F288 VanDerWaalsContact O-N 3.14Å; M285-E289 PolarHBondContact O-N 2.98Å; M285-F327 HydrophobicContact SD-CE1 3.74Å; M285-F327 HydrophobicContact SD-CZ 4.48Å; M285-V349 HydrophobicContact CE-CG1 3.19Å; M285-V349 HydrophobicContact CG-CG1 4.24Å; M285-V349 HydrophobicContact SD-CG1 3.51Å; M285-V349 VanDerWaalsContact SD-CG1 3.51Å; M285-F350 HydrophobicContact CB-CZ 4.37Å; M285-F350 HydrophobicContact CG-CD2 4.31Å; M285-F350 HydrophobicContact CG-CE1 4.15Å; M285-F350 HydrophobicContact CG-CE2 3.64Å; M285-F350 HydrophobicContact CG-CZ 3.54Å; M285-L353 HydrophobicContact CB-CD1 3.85Å; M285-L353 HydrophobicContact CE-CD1 4.44Å; M285-L353 HydrophobicContact CG-CD1 4.22Å
286	V	95.2	Very high	93.7	Very high	93 Å²	93	46 Å²	46	56%	0.564	24%	0.242	S	C	*	.	H	α-helix	trans	-58.4	-45.4	178.2	172.5	0	0	0	0	110.9	H282 E283 G290	H282-V286 PolarHBondContact O-N 3.3Å; E283-V286 PolarHBondContact O-N 3.43Å; V286-G290 PolarHBondContact O-N 2.92Å
287	V	95.7	Very high	93.6	Very high	12 Å²	12	41.3 Å²	41.3	7%	0.073	22%	0.22	C	C	.	.	H	α-helix	trans	-62.9	-42.7	176.9	167.6	0	0	0	0	111.6	T56 R243 W246 F258 E283 M285 L291	T56-V287 HydrophobicContact CG2-CB 4.23Å; T56-V287 HydrophobicContact CG2-CG1 4.48Å; T56-V287 HydrophobicContact CG2-CG2 4Å; R243-V287 VanDerWaalsContact CZ-CG2 3.49Å; R243-V287 VanDerWaalsContact NH1-CG2 3.3Å; W246-V287 HydrophobicContact CH2-CG1 3.56Å; W246-V287 HydrophobicContact CZ3-CG1 3.75Å; F258-V287 HydrophobicContact CE2-CG1 4.05Å; F258-V287 HydrophobicContact CZ-CG1 3.94Å; E283-V287 WeakPolarHBondContact O-CB 3.3Å; E283-V287 VanDerWaalsContact O-CG2 3.25Å; E283-V287 WeakPolarHBondContact O-CG2 3.46Å; E283-V287 PolarHBondContact O-N 2.73Å; M285-V287 VanDerWaalsContact C-N 3.31Å; M285-V287 PolarHBondContact O-N 3.18Å; V287-L291 HydrophobicContact CG1-CD1 3.96Å; V287-L291 WeakPolarHBondContact O-CB 3.41Å; V287-L291 WeakPolarHBondContact O-CG 3.46Å; V287-L291 PolarHBondContact O-N 3.02Å; V287-L291 VanDerWaalsContact O-N 3.16Å
288	F	96.8	Very high	93.2	Very high	1 Å²	1	37.9 Å²	37.9	0%	0.004	20%	0.203	C	C	.	.	H	α-helix	trans	-63.7	-50.4	178.6	178.5	-100.7	0	0	0	111.5	F258 A284 M285 G290 L291 I292 I304 F350 L353 V354	F258-F288 HydrophobicContact CB-CD2 4.27Å; F258-F288 HydrophobicContact CB-CE2 4.35Å; F258-F288 AromaticContact CD1-CD2 3.69Å; F258-F288 HydrophobicContact CD1-CD2 3.69Å; F258-F288 HydrophobicContact CD1-CE2 4.44Å; F258-F288 AromaticContact CD2-CD2 3.82Å; F258-F288 HydrophobicContact CD2-CD2 3.82Å; F258-F288 HydrophobicContact CE1-CB 3.87Å; F258-F288 AromaticContact CE1-CD2 3.9Å; F258-F288 HydrophobicContact CE1-CD2 3.9Å; F258-F288 HydrophobicContact CE1-CG 4.32Å; F258-F288 HydrophobicContact CE2-CB 4.09Å; F258-F288 HydrophobicContact CE2-CD2 4.01Å; F258-F288 AromaticContact CG-CD2 3.66Å; F258-F288 HydrophobicContact CG-CD2 3.66Å; F258-F288 HydrophobicContact CG-CE2 4.23Å; F258-F288 HydrophobicContact CZ-CB 3.61Å; F258-F288 HydrophobicContact CZ-CD2 4.05Å; F258-F288 HydrophobicContact CZ-CG 4.34Å; A284-F288 VanDerWaalsContact O-CB 3.24Å; A284-F288 WeakPolarHBondContact O-CB 3.23Å; A284-F288 PolarHBondContact O-N 2.87Å; M285-F288 PolarHBondContact O-N 3.15Å; M285-F288 VanDerWaalsContact O-N 3.14Å; F288-G290 PolarHBondContact O-N 3.33Å; F288-L291 PolarHBondContact O-N 3.44Å; F288-I292 HydrophobicContact CD1-CG2 4.08Å; F288-I292 HydrophobicContact CD2-CB 4.37Å; F288-I292 HydrophobicContact CE1-CB 4.2Å; F288-I292 HydrophobicContact CE1-CG1 4.35Å; F288-I292 HydrophobicContact CE1-CG2 3.77Å; F288-I292 HydrophobicContact CE2-CB 4.05Å; F288-I292 HydrophobicContact CE2-CD1 4.08Å; F288-I292 HydrophobicContact CE2-CG1 3.9Å; F288-I292 HydrophobicContact CZ-CB 3.96Å; F288-I292 HydrophobicContact CZ-CD1 4.35Å; F288-I292 HydrophobicContact CZ-CG1 3.71Å; F288-I292 HydrophobicContact CZ-CG2 4.01Å; F288-I292 VanDerWaalsContact O-CB 3.25Å; F288-I292 WeakPolarHBondContact O-CB 3.31Å; F288-I292 VanDerWaalsContact O-CG2 3.27Å; F288-I292 WeakPolarHBondContact O-CG2 3.32Å; F288-I292 PolarHBondContact O-N 3.32Å; F288-I304 HydrophobicContact CE1-CD1 4.46Å; F288-I304 HydrophobicContact CE2-CD1 3.71Å; F288-I304 HydrophobicContact CE2-CG1 4.05Å; F288-I304 HydrophobicContact CZ-CD1 3.54Å; F288-I304 HydrophobicContact CZ-CG1 4.34Å; F288-F350 HydrophobicContact CB-CD1 3.95Å; F288-F350 HydrophobicContact CB-CE1 3.73Å; F288-F350 AromaticContact CD1-CD1 3.66Å; F288-F350 HydrophobicContact CD1-CD1 3.66Å; F288-F350 HydrophobicContact CD1-CE1 4.32Å; F288-F350 HydrophobicContact CD2-CD1 4.23Å; F288-F350 HydrophobicContact CE1-CD1 4.19Å; F288-F350 VanDerWaalsContact CE1-O 3.29Å; F288-F350 WeakPolarHBondContact CE1-O 3.46Å; F288-F350 AromaticContact CG-CD1 3.67Å; F288-F350 HydrophobicContact CG-CD1 3.67Å; F288-F350 AromaticContact CG-CE1 3.98Å; F288-F350 HydrophobicContact CG-CE1 3.98Å; F288-L353 HydrophobicContact CD1-CB 4.04Å; F288-L353 HydrophobicContact CD1-CD1 4.11Å; F288-L353 HydrophobicContact CE1-CB 4.22Å; F288-V354 HydrophobicContact CE1-CG2 3.72Å; F288-V354 HydrophobicContact CZ-CG2 3.84Å
289	E	95.5	Very high	92.6	Very high	91 Å²	91	43 Å²	43	43%	0.425	22%	0.222	S	C	.	.	H	α-helix	trans	-58.5	-46.5	179.9	-174.6	179.3	-160	0	0	111.9	M285 L291 N293 L353	M285-E289 PolarHBondContact O-N 2.98Å; E289-L291 VanDerWaalsContact C-N 3.28Å; E289-L291 PolarHBondContact O-N 3.16Å; E289-N293 PolarHBondContact O-ND2 2.97Å; E289-L353 HydrophobicContact CB-CB 4.16Å; E289-L353 HydrophobicContact CB-CD1 4.35Å; E289-L353 HydrophobicContact CB-CD2 4.25Å; E289-L353 HydrophobicContact CB-CG 4.48Å; E289-L353 HydrophobicContact CG-CB 4.33Å; E289-L353 HydrophobicContact CG-CD2 4.26Å
290	G	92.4	Very high	92.1	Very high	53 Å²	53	43.1 Å²	43.1	55%	0.546	22%	0.223	S	C	.	.	H	α-helix	trans	-66.4	-27.9	179.9	0	0	0	0	0	113.8	V286 F288	V286-G290 PolarHBondContact O-N 2.92Å; F288-G290 PolarHBondContact O-N 3.33Å
291	L	92.7	Very high	91.7	Very high	17 Å²	17	43 Å²	43	9%	0.089	22%	0.224	C	C	.	.	H	α-helix	trans	-88	-51.7	177.9	-79.3	174.9	0	0	0	112.7	L54 W246 F250 F258 V287 F288 E289 N293 H294 F297	L54-L291 HydrophobicContact CB-CD1 4.35Å; L54-L291 HydrophobicContact CD1-CD1 3.8Å; L54-L291 HydrophobicContact CG-CD1 4.45Å; W246-L291 HydrophobicContact CE3-CD1 3.67Å; W246-L291 HydrophobicContact CE3-CD2 3.8Å; W246-L291 HydrophobicContact CE3-CG 4.12Å; W246-L291 HydrophobicContact CH2-CD1 4Å; W246-L291 HydrophobicContact CZ3-CD1 3.23Å; W246-L291 HydrophobicContact CZ3-CD2 4.11Å; W246-L291 HydrophobicContact CZ3-CG 3.9Å; F250-L291 HydrophobicContact CE1-CD2 4.48Å; F250-L291 HydrophobicContact CE2-CD2 4.5Å; F250-L291 HydrophobicContact CZ-CD2 3.67Å; F258-L291 HydrophobicContact CE2-CD1 3.94Å; V287-L291 HydrophobicContact CG1-CD1 3.96Å; V287-L291 WeakPolarHBondContact O-CB 3.41Å; V287-L291 WeakPolarHBondContact O-CG 3.46Å; V287-L291 PolarHBondContact O-N 3.02Å; V287-L291 VanDerWaalsContact O-N 3.16Å; F288-L291 PolarHBondContact O-N 3.44Å; E289-L291 VanDerWaalsContact C-N 3.28Å; E289-L291 PolarHBondContact O-N 3.16Å; L291-N293 PolarHBondContact O-N 3.28Å; L291-N293 VanDerWaalsContact O-N 3.16Å; L291-H294 WeakPolarHBondContact O-CB 3.49Å; L291-H294 PolarHBondContact O-N 3.22Å; L291-F297 HydrophobicContact CB-CE2 4.39Å; L291-F297 HydrophobicContact CD2-CE2 4.39Å; L291-F297 WeakPolarHBondContact O-CD2 3.44Å; L291-F297 WeakPolarHBondContact O-CE2 3.37Å
292	I	91.6	Very high	91.3	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-65.6	-30.1	-163.6	-157.6	58	0	0	0	111.9	F288 H294 I302 V354 R403	F288-I292 HydrophobicContact CD1-CG2 4.08Å; F288-I292 HydrophobicContact CD2-CB 4.37Å; F288-I292 HydrophobicContact CE1-CB 4.2Å; F288-I292 HydrophobicContact CE1-CG1 4.35Å; F288-I292 HydrophobicContact CE1-CG2 3.77Å; F288-I292 HydrophobicContact CE2-CB 4.05Å; F288-I292 HydrophobicContact CE2-CD1 4.08Å; F288-I292 HydrophobicContact CE2-CG1 3.9Å; F288-I292 HydrophobicContact CZ-CB 3.96Å; F288-I292 HydrophobicContact CZ-CD1 4.35Å; F288-I292 HydrophobicContact CZ-CG1 3.71Å; F288-I292 HydrophobicContact CZ-CG2 4.01Å; F288-I292 VanDerWaalsContact O-CB 3.25Å; F288-I292 WeakPolarHBondContact O-CB 3.31Å; F288-I292 VanDerWaalsContact O-CG2 3.27Å; F288-I292 WeakPolarHBondContact O-CG2 3.32Å; F288-I292 PolarHBondContact O-N 3.32Å; I292-H294 VanDerWaalsContact C-N 3.29Å; I292-H294 PolarHBondContact O-N 3.05Å; I292-I302 HydrophobicContact CD1-CB 4.16Å; I292-I302 HydrophobicContact CD1-CD1 3.35Å; I292-I302 HydrophobicContact CD1-CG1 3.47Å; I292-I302 VanDerWaalsContact CD1-CG1 3.47Å; I292-I302 HydrophobicContact CD1-CG2 3.64Å; I292-I302 HydrophobicContact CG1-CD1 3.42Å; I292-I302 VanDerWaalsContact CG1-CD1 3.42Å; I292-I302 HydrophobicContact CG1-CG1 4.14Å; I292-I302 HydrophobicContact CG1-CG2 4.32Å; I292-V354 HydrophobicContact CG1-CG2 4.43Å; I292-V354 HydrophobicContact CG2-CG2 4.22Å; I292-R403 PolarHBondContact O-NH1 3.23Å; I292-R403 PolarHBondContact O-NH2 3.33Å
293	N	90.8	Very high	91.2	Very high	28 Å²	28	39.6 Å²	39.6	15%	0.15	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	0.8	179.3	-62.1	-46	0	0	0	113.4	E289 L291 L353 N355 F358	E289-N293 PolarHBondContact O-ND2 2.97Å; L291-N293 PolarHBondContact O-N 3.28Å; L291-N293 VanDerWaalsContact O-N 3.16Å; N293-L353 PolarHBondContact ND2-O 3.1Å; N293-N355 VanDerWaalsContact OD1-CB 3.31Å; N293-N355 WeakPolarHBondContact OD1-CB 3.31Å; N293-N355 PolarHBondContact OD1-N 3.29Å; N293-F358 WeakPolarHBondContact O-CE1 3.31Å
294	H	89.7	Confident	91.3	Very high	81 Å²	81	39 Å²	39	38%	0.375	21%	0.205	S	C	.	.	S	Bend	trans	-66.1	141.1	176.8	-170.4	-92.9	0	0	0	111.8	F250 L291 I292 A296 F297	F250-H294 AromaticContact CD2-CE1 3.98Å; F250-H294 AromaticContact CD2-ND1 3.96Å; L291-H294 WeakPolarHBondContact O-CB 3.49Å; L291-H294 PolarHBondContact O-N 3.22Å; I292-H294 VanDerWaalsContact C-N 3.29Å; I292-H294 PolarHBondContact O-N 3.05Å; H294-A296 WeakPolarHBondContact ND1-CB 3.46Å; H294-A296 PolarHBondContact ND1-N 2.8Å; H294-A296 VanDerWaalsContact ND1-N 3.13Å; H294-A296 PolarHBondContact O-N 3.36Å; H294-A296 VanDerWaalsContact O-N 3.17Å; H294-F297 HydrophobicContact CB-CD2 4.29Å; H294-F297 PolarHBondContact O-N 2.89Å
295	I	87.6	Confident	91.3	Very high	94 Å²	94	38.9 Å²	38.9	48%	0.482	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-57.4	-34.6	-176	-167.8	165.3	0	0	0	113	F297 R298 A364	I295-F297 PolarHBondContact O-N 3.45Å; I295-F297 VanDerWaalsContact O-N 3.15Å; I295-R298 VanDerWaalsContact O-CB 3.28Å; I295-R298 WeakPolarHBondContact O-CB 3.35Å; I295-R298 PolarHBondContact O-N 3.03Å; I295-R298 VanDerWaalsContact O-N 3.11Å; I295-A364 HydrophobicContact CD1-CB 3.63Å
296	A	87.7	Confident	91.3	Very high	40 Å²	40	37.6 Å²	37.6	33%	0.331	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-59.2	-27.3	177.8	0	0	0	0	0	113	F250 H294	F250-A296 HydrophobicContact CB-CB 4.04Å; F250-A296 HydrophobicContact CD2-CB 4.19Å; F250-A296 HydrophobicContact CG-CB 4.45Å; H294-A296 WeakPolarHBondContact ND1-CB 3.46Å; H294-A296 PolarHBondContact ND1-N 2.8Å; H294-A296 VanDerWaalsContact ND1-N 3.13Å; H294-A296 PolarHBondContact O-N 3.36Å; H294-A296 VanDerWaalsContact O-N 3.17Å
297	F	88.2	Confident	91.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-95.8	-0.8	-178.7	-55.4	-38.6	0	0	0	113.8	L52 L54 F250 V256 L291 H294 I295 R299 V300 R403	L52-F297 HydrophobicContact CD2-CE1 4.27Å; L52-F297 HydrophobicContact CD2-CZ 4.14Å; L54-F297 HydrophobicContact CD1-CE2 4.15Å; L54-F297 HydrophobicContact CD1-CZ 3.99Å; F250-F297 HydrophobicContact CB-CE1 4.49Å; F250-F297 AromaticContact CD1-CE1 3.84Å; F250-F297 HydrophobicContact CD1-CE1 3.84Å; F250-F297 AromaticContact CD1-CZ 3.53Å; F250-F297 HydrophobicContact CD1-CZ 3.53Å; F250-F297 HydrophobicContact CD2-CZ 4.25Å; F250-F297 HydrophobicContact CE1-CE1 4.2Å; F250-F297 HydrophobicContact CE1-CE2 4.24Å; F250-F297 AromaticContact CE1-CZ 3.42Å; F250-F297 HydrophobicContact CE1-CZ 3.42Å; F250-F297 VanDerWaalsContact CE1-CZ 3.42Å; F250-F297 HydrophobicContact CE2-CE2 4.45Å; F250-F297 HydrophobicContact CE2-CZ 4.14Å; F250-F297 HydrophobicContact CG-CE1 4.05Å; F250-F297 AromaticContact CG-CZ 3.98Å; F250-F297 HydrophobicContact CG-CZ 3.98Å; F250-F297 HydrophobicContact CZ-CE2 4.14Å; F250-F297 AromaticContact CZ-CZ 3.74Å; F250-F297 HydrophobicContact CZ-CZ 3.74Å; V256-F297 HydrophobicContact CG2-CD1 3.74Å; V256-F297 HydrophobicContact CG2-CD2 4.4Å; V256-F297 HydrophobicContact CG2-CE1 3.6Å; V256-F297 HydrophobicContact CG2-CE2 4.29Å; V256-F297 HydrophobicContact CG2-CG 4.15Å; V256-F297 HydrophobicContact CG2-CZ 3.89Å; L291-F297 HydrophobicContact CB-CE2 4.39Å; L291-F297 HydrophobicContact CD2-CE2 4.39Å; L291-F297 WeakPolarHBondContact O-CD2 3.44Å; L291-F297 WeakPolarHBondContact O-CE2 3.37Å; H294-F297 HydrophobicContact CB-CD2 4.29Å; H294-F297 PolarHBondContact O-N 2.89Å; I295-F297 PolarHBondContact O-N 3.45Å; I295-F297 VanDerWaalsContact O-N 3.15Å; F297-R299 PolarHBondContact O-N 3.5Å; F297-V300 HydrophobicContact CB-CB 4.21Å; F297-V300 HydrophobicContact CD1-CB 4.4Å; F297-V300 HydrophobicContact CD1-CG2 4.25Å; F297-V300 WeakPolarHBondContact O-CB 3.4Å; F297-V300 PolarHBondContact O-N 3.18Å; F297-R403 PolarHBondContact O-NE 3.27Å; F297-R403 PolarHBondContact O-NH2 3.25Å
298	R	83.3	Confident	91.5	Very high	67 Å²	67	34 Å²	34	25%	0.253	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47	-39.5	-175.9	-177.3	-176	179.6	152.6	17.7	113.8	I295 F358 P359 D361	I295-R298 VanDerWaalsContact O-CB 3.28Å; I295-R298 WeakPolarHBondContact O-CB 3.35Å; I295-R298 PolarHBondContact O-N 3.03Å; I295-R298 VanDerWaalsContact O-N 3.11Å; R298-F358 HydrophobicContact CG-CD1 4.4Å; R298-F358 HydrophobicContact CG-CD2 4.39Å; R298-F358 HydrophobicContact CG-CG 4.19Å; R298-P359 PolarHBondContact NH1-O 3.5Å; R298-P359 PolarHBondContact NH2-O 2.9Å; R298-D361 IonicContact CZ-OD1 2.9Å; R298-D361 IonicContact NH1-OD1 3.31Å; R298-D361 PolarHBondContact NH1-OD1 3.18Å
299	R	80.8	Confident	91.5	Very high	181 Å²	181	35 Å²	35	68%	0.683	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104	-1.1	-179.2	-59.5	-176.3	-175	-174.1	2.5	113.5	F297 D361 R436	F297-R299 PolarHBondContact O-N 3.5Å; R299-D361 IonicContact NH2-OD2 3.45Å; R299-D361 PolarHBondContact NH2-OD2 2.96Å; R299-R436 VanDerWaalsContact C-NH2 3.31Å; R299-R436 PolarHBondContact O-NE 3.43Å; R299-R436 PolarHBondContact O-NH2 3.3Å
300	V	86.4	Confident	91.6	Very high	11 Å²	11	32.9 Å²	32.9	7%	0.067	17%	0.172	C	C	.	.	S	Bend	trans	-83.6	133.5	-176.9	-176.2	0	0	0	0	110.9	M253 V256 F297 R436	M253-V300 HydrophobicContact CB-CG1 4.44Å; V256-V300 HydrophobicContact CB-CG1 4.46Å; V256-V300 HydrophobicContact CG2-CG1 3.94Å; F297-V300 HydrophobicContact CB-CB 4.21Å; F297-V300 HydrophobicContact CD1-CB 4.4Å; F297-V300 HydrophobicContact CD1-CG2 4.25Å; F297-V300 WeakPolarHBondContact O-CB 3.4Å; F297-V300 PolarHBondContact O-N 3.18Å; V300-R436 VanDerWaalsContact CA-NH2 3.26Å
301	S	87.1	Confident	91.7	Very high	12 Å²	12	30.8 Å²	30.8	8%	0.084	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	133.6	175.1	-66.8	0	0	0	0	109.7	T254 S255 V256 N432	T254-S301 PolarHBondContact O-N 2.71Å; S255-S301 CarbonylContact C-O 3.53Å; S255-S301 WeakPolarHBondContact CA-O 3.38Å; V256-S301 PolarHBondContact N-O 3.14Å; S301-N432 VanDerWaalsContact OG-CB 3.3Å; S301-N432 WeakPolarHBondContact OG-CB 3.34Å; S301-N432 PolarHBondContact OG-ND2 2.93Å
302	I	89.9	Confident	92	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	122.8	-179.4	-55.2	167.4	0	0	0	108.5	I292 I304 R403 V405 Y406	I292-I302 HydrophobicContact CD1-CB 4.16Å; I292-I302 HydrophobicContact CD1-CD1 3.35Å; I292-I302 HydrophobicContact CD1-CG1 3.47Å; I292-I302 VanDerWaalsContact CD1-CG1 3.47Å; I292-I302 HydrophobicContact CD1-CG2 3.64Å; I292-I302 HydrophobicContact CG1-CD1 3.42Å; I292-I302 VanDerWaalsContact CG1-CD1 3.42Å; I292-I302 HydrophobicContact CG1-CG1 4.14Å; I292-I302 HydrophobicContact CG1-CG2 4.32Å; I302-I304 HydrophobicContact CG2-CG1 4.11Å; I302-R403 HydrophobicContact CD1-CG 4.14Å; I302-V405 HydrophobicContact CB-CG1 4.5Å; I302-V405 HydrophobicContact CB-CG2 4.35Å; I302-V405 HydrophobicContact CD1-CG2 4Å; I302-V405 HydrophobicContact CG2-CG1 4.03Å; I302-V405 HydrophobicContact CG2-CG2 4.49Å; I302-Y406 WeakPolarHBondContact O-CD2 3.3Å; I302-Y406 PolarHBondContact O-N 2.85Å
303	I	93.6	Very high	92.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	133.1	170.6	-56.2	144.2	0	0	0	107.7	V256 L257 F258 F305 Y406 M425 V429	V256-I303 PolarHBondContact O-N 3.01Å; L257-I303 CarbonylContact C-O 3.48Å; L257-I303 WeakPolarHBondContact CA-O 3.4Å; L257-I303 HydrophobicContact CD1-CB 3.78Å; L257-I303 HydrophobicContact CD1-CG2 3.49Å; L257-I303 VanDerWaalsContact CD1-CG2 3.49Å; F258-I303 PolarHBondContact N-O 3.38Å; I303-F305 HydrophobicContact CG2-CD1 4.02Å; I303-F305 HydrophobicContact CG2-CE1 3.65Å; I303-Y406 CarbonylContact C-O 3.56Å; I303-Y406 WeakPolarHBondContact CA-O 3.41Å; I303-Y406 HydrophobicContact CG1-CD2 4.47Å; I303-M425 HydrophobicContact CD1-CG 3.57Å; I303-M425 HydrophobicContact CD1-SD 3.99Å; I303-M425 HydrophobicContact CG1-CG 4.42Å; I303-V429 HydrophobicContact CD1-CG2 3.94Å
304	I	96.2	Very high	92.4	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.021	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	125.4	178.3	-57.5	180	0	0	0	108.8	F258 I260 F288 I302 F306 V405 Y406 R407 H408	F258-I304 WeakPolarHBondContact O-CA 3.28Å; I260-I304 HydrophobicContact CD1-CG2 3.4Å; I260-I304 VanDerWaalsContact CD1-CG2 3.4Å; I260-I304 HydrophobicContact CG1-CG2 4.34Å; F288-I304 HydrophobicContact CE1-CD1 4.46Å; F288-I304 HydrophobicContact CE2-CD1 3.71Å; F288-I304 HydrophobicContact CE2-CG1 4.05Å; F288-I304 HydrophobicContact CZ-CD1 3.54Å; F288-I304 HydrophobicContact CZ-CG1 4.34Å; I302-I304 HydrophobicContact CG2-CG1 4.11Å; I304-F306 HydrophobicContact CB-CE2 4.35Å; I304-F306 HydrophobicContact CG2-CD2 4.03Å; I304-F306 HydrophobicContact CG2-CE1 4.44Å; I304-F306 HydrophobicContact CG2-CE2 3.6Å; I304-F306 HydrophobicContact CG2-CZ 3.85Å; I304-V405 HydrophobicContact CD1-CG1 3.45Å; I304-V405 VanDerWaalsContact CD1-CG1 3.45Å; I304-V405 HydrophobicContact CG1-CG1 3.86Å; I304-Y406 PolarHBondContact N-O 3.48Å; I304-R407 CarbonylContact O-C 3.57Å; I304-R407 VanDerWaalsContact O-CA 3.28Å; I304-R407 WeakPolarHBondContact O-CA 3.22Å; I304-H408 PolarHBondContact O-N 3.45Å
305	F	97.9	Very high	92.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	116	169.1	-76.6	3.2	0	0	0	109.8	F64 L257 F258 L259 I260 I303 N307 H408 T410 V421 M425	F64-F305 HydrophobicContact CD2-CD2 4.47Å; F64-F305 AromaticContact CD2-CE2 3.95Å; F64-F305 HydrophobicContact CD2-CE2 3.95Å; F64-F305 AromaticContact CE2-CE2 3.63Å; F64-F305 HydrophobicContact CE2-CE2 3.63Å; F64-F305 HydrophobicContact CE2-CZ 4.43Å; F64-F305 HydrophobicContact CZ-CE2 4.11Å; L257-F305 HydrophobicContact CD1-CB 4.44Å; L257-F305 HydrophobicContact CD1-CD1 3.63Å; L257-F305 HydrophobicContact CD1-CD2 3.81Å; L257-F305 HydrophobicContact CD1-CE1 3.64Å; L257-F305 HydrophobicContact CD1-CE2 3.83Å; L257-F305 HydrophobicContact CD1-CG 3.7Å; L257-F305 HydrophobicContact CD1-CZ 3.73Å; L257-F305 HydrophobicContact CD2-CD2 4.09Å; L257-F305 HydrophobicContact CD2-CE2 3.68Å; L257-F305 HydrophobicContact CD2-CZ 4.04Å; L257-F305 HydrophobicContact CG-CD2 4.35Å; L257-F305 HydrophobicContact CG-CE2 4.33Å; F258-F305 PolarHBondContact O-N 3.2Å; L259-F305 HydrophobicContact CD2-CD2 4.46Å; L259-F305 HydrophobicContact CG-CB 4.14Å; L259-F305 HydrophobicContact CG-CD2 4.42Å; I260-F305 PolarHBondContact N-O 2.86Å; I303-F305 HydrophobicContact CG2-CD1 4.02Å; I303-F305 HydrophobicContact CG2-CE1 3.65Å; F305-N307 PolarHBondContact O-N 3.21Å; F305-H408 WeakPolarHBondContact CA-O 3.39Å; F305-H408 HydrophobicContact CD1-CB 3.8Å; F305-H408 HydrophobicContact CE1-CB 3.89Å; F305-H408 AromaticContact CE1-CD2 3.71Å; F305-T410 HydrophobicContact CB-CG2 4.23Å; F305-T410 HydrophobicContact CD1-CG2 4.11Å; F305-T410 HydrophobicContact CD2-CG2 3.79Å; F305-T410 HydrophobicContact CE1-CG2 4.47Å; F305-T410 HydrophobicContact CE2-CG2 4.17Å; F305-T410 HydrophobicContact CG-CG2 3.77Å; F305-V421 HydrophobicContact CD1-CG1 4.26Å; F305-V421 HydrophobicContact CE1-CG1 3.4Å; F305-V421 HydrophobicContact CE2-CG1 4.06Å; F305-V421 HydrophobicContact CZ-CG1 3.3Å; F305-M425 HydrophobicContact CZ-SD 4.31Å
306	F	98.4	Very high	93.1	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.009	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	87.9	166	-68.1	-81	0	0	0	107.3	I260 S262 I304 T309 M346 V347 F350 R407 H408 F409 T410	I260-F306 HydrophobicContact CB-CD1 4.43Å; I260-F306 HydrophobicContact CD1-CD1 3.95Å; I260-F306 HydrophobicContact CD1-CE1 3.59Å; I260-F306 HydrophobicContact CD1-CZ 4.05Å; I260-F306 HydrophobicContact CG2-CD1 4.5Å; S262-F306 WeakPolarHBondContact OG-CB 3.46Å; I304-F306 HydrophobicContact CB-CE2 4.35Å; I304-F306 HydrophobicContact CG2-CD2 4.03Å; I304-F306 HydrophobicContact CG2-CE1 4.44Å; I304-F306 HydrophobicContact CG2-CE2 3.6Å; I304-F306 HydrophobicContact CG2-CZ 3.85Å; F306-T309 PolarHBondContact O-OG1 3.18Å; F306-M346 HydrophobicContact CD1-CB 4.16Å; F306-M346 HydrophobicContact CE1-CB 3.82Å; F306-V347 HydrophobicContact CD2-CG2 4.14Å; F306-V347 HydrophobicContact CE2-CG2 3.57Å; F306-V347 HydrophobicContact CZ-CB 4.45Å; F306-V347 HydrophobicContact CZ-CG2 3.81Å; F306-F350 AromaticContact CE1-CD2 3.93Å; F306-F350 HydrophobicContact CE1-CD2 3.93Å; F306-F350 HydrophobicContact CE1-CE2 4.43Å; F306-F350 HydrophobicContact CE1-CG 4.34Å; F306-F350 HydrophobicContact CZ-CB 4.2Å; F306-F350 HydrophobicContact CZ-CD2 4.36Å; F306-F350 HydrophobicContact CZ-CG 4.39Å; F306-R407 HydrophobicContact CE2-CB 4.18Å; F306-H408 PolarHBondContact N-O 2.88Å; F306-F409 HydrophobicContact CB-CD1 3.39Å; F306-F409 HydrophobicContact CB-CE1 3.63Å; F306-F409 HydrophobicContact CB-CG 4.38Å; F306-F409 HydrophobicContact CD2-CD1 4.36Å; F306-F409 AromaticContact CD2-CE1 3.97Å; F306-F409 HydrophobicContact CD2-CE1 3.97Å; F306-F409 HydrophobicContact CD2-CZ 4.45Å; F306-F409 HydrophobicContact CG-CD1 4.09Å; F306-F409 AromaticContact CG-CE1 3.81Å; F306-F409 HydrophobicContact CG-CE1 3.81Å; F306-F409 CarbonylContact O-C 3.6Å; F306-F409 WeakPolarHBondContact O-CA 3.3Å; F306-T410 PolarHBondContact O-N 3.22Å
307	N	98.2	Very high	93.5	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.016	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	167.4	-173.1	-168.4	26.6	0	0	0	112.2	S59 I260 S262 F305 T309 T410 A412	S59-N307 PolarHBondContact O-ND2 3Å; I260-N307 WeakPolarHBondContact O-CA 3.41Å; I260-N307 WeakPolarHBondContact O-CB 3.31Å; I260-N307 PolarHBondContact O-N 3.11Å; S262-N307 WeakPolarHBondContact CB-O 3.44Å; S262-N307 PolarHBondContact N-O 3.39Å; F305-N307 PolarHBondContact O-N 3.21Å; N307-T309 VanDerWaalsContact C-N 3.34Å; N307-T410 CarbonylContact C-O 3.6Å; N307-T410 VanDerWaalsContact CA-O 3.28Å; N307-T410 WeakPolarHBondContact CA-O 3.39Å; N307-T410 VanDerWaalsContact CA-OG1 3.29Å; N307-T410 WeakPolarHBondContact CA-OG1 3.36Å; N307-T410 WeakPolarHBondContact CB-OG1 3.38Å; N307-T410 PolarHBondContact OD1-O 2.93Å; N307-A412 WeakPolarHBondContact OD1-CB 3.26Å; N307-A412 PolarHBondContact OD1-N 2.96Å
308	K	97.2	Very high	93.8	Very high	28 Å²	28	36.8 Å²	36.8	12%	0.122	18%	0.175	C	C	.	.			trans	61.9	39.8	-175.5	-52.1	-174.1	-176.3	-178.7	0	112.3	E58 A261 S263 H264 D310 I311 L312 T410	E58-K308 WeakPolarHBondContact O-CE 3.24Å; E58-K308 PolarHBondContact O-NZ 3.11Å; A261-K308 HydrophobicContact CB-CD 3.77Å; A261-K308 HydrophobicContact CB-CG 4.35Å; S263-K308 WeakPolarHBondContact OG-CD 3.36Å; H264-K308 PolarHBondContact NE2-NZ 3.5Å; K308-D310 VanDerWaalsContact C-N 3.28Å; K308-D310 VanDerWaalsContact CA-OD1 3.31Å; K308-D310 WeakPolarHBondContact CA-OD1 3.38Å; K308-D310 PolarHBondContact O-N 3.24Å; K308-I311 HydrophobicContact CB-CB 4.34Å; K308-I311 HydrophobicContact CB-CD1 4.24Å; K308-I311 HydrophobicContact CD-CD1 4.19Å; K308-I311 HydrophobicContact CG-CD1 4.41Å; K308-I311 PolarHBondContact O-N 3.23Å; K308-L312 PolarHBondContact O-N 3Å; K308-T410 PolarHBondContact N-O 3.33Å; K308-T410 VanDerWaalsContact N-O 3.15Å
309	T	97.2	Very high	94.3	Very high	22 Å²	22	41.8 Å²	41.8	14%	0.135	19%	0.194	C	C	.	.	H	α-helix	trans	-66	-33.3	-179.4	-61.7	0	0	0	0	112	F306 N307 K313 T410	F306-T309 PolarHBondContact O-OG1 3.18Å; N307-T309 VanDerWaalsContact C-N 3.34Å; T309-K313 WeakPolarHBondContact O-CB 3.28Å; T309-K313 PolarHBondContact O-N 3.4Å; T309-T410 WeakPolarHBondContact CB-O 3.47Å; T309-T410 PolarHBondContact N-O 3.19Å; T309-T410 VanDerWaalsContact N-O 3.15Å; T309-T410 PolarHBondContact OG1-N 3Å; T309-T410 PolarHBondContact OG1-O 3.27Å
310	D	96.7	Very high	94.8	Very high	45 Å²	45	37.5 Å²	37.5	24%	0.241	19%	0.188	C	C	.	.	H	α-helix	trans	-56.2	-52.8	170.2	58.2	-37.6	0	0	0	111.8	K308 L312 K313 E314 T411	K308-D310 VanDerWaalsContact C-N 3.28Å; K308-D310 VanDerWaalsContact CA-OD1 3.31Å; K308-D310 WeakPolarHBondContact CA-OD1 3.38Å; K308-D310 PolarHBondContact O-N 3.24Å; D310-L312 PolarHBondContact O-N 3.16Å; D310-K313 WeakPolarHBondContact O-CB 3.49Å; D310-K313 PolarHBondContact O-N 3.48Å; D310-E314 PolarHBondContact O-N 3.42Å; D310-T411 HydrophobicContact CB-CG2 3.98Å; D310-T411 VanDerWaalsContact CG-CG2 3.45Å; D310-T411 PolarHBondContact N-OG1 3.07Å; D310-T411 WeakPolarHBondContact OD1-CG2 3.44Å; D310-T411 PolarHBondContact OD1-OG1 3.46Å
311	I	95.4	Very high	95	Very high	10 Å²	10	37.7 Å²	37.7	5%	0.051	19%	0.19	C	C	.	.	H	α-helix	trans	-68.4	-38.7	-179.4	-58	172.4	0	0	0	110.8	E185 K308 K313 E314 K315	E185-I311 HydrophobicContact CB-CD1 3.69Å; E185-I311 HydrophobicContact CG-CD1 3.69Å; K308-I311 HydrophobicContact CB-CB 4.34Å; K308-I311 HydrophobicContact CB-CD1 4.24Å; K308-I311 HydrophobicContact CD-CD1 4.19Å; K308-I311 HydrophobicContact CG-CD1 4.41Å; K308-I311 PolarHBondContact O-N 3.23Å; I311-K313 VanDerWaalsContact C-N 3.32Å; I311-K313 PolarHBondContact O-N 3.44Å; I311-E314 PolarHBondContact O-N 3.01Å; I311-K315 PolarHBondContact O-N 3.38Å
312	L	97.5	Very high	95.4	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-56.3	-49.2	172.7	175.2	63.3	0	0	0	110.5	Y265 K308 D310 E314 K315 L316 L339 V342 Q343 M346	Y265-L312 HydrophobicContact CD1-CD1 3.78Å; Y265-L312 HydrophobicContact CE1-CD1 3.65Å; K308-L312 PolarHBondContact O-N 3Å; D310-L312 PolarHBondContact O-N 3.16Å; L312-E314 VanDerWaalsContact C-N 3.31Å; L312-E314 PolarHBondContact O-N 2.93Å; L312-K315 PolarHBondContact O-N 3.44Å; L312-L316 HydrophobicContact CD1-CD1 3.95Å; L312-L316 HydrophobicContact CD1-CD2 4.3Å; L312-L316 HydrophobicContact CD1-CG 3.95Å; L312-L316 HydrophobicContact CG-CD1 3.99Å; L312-L316 HydrophobicContact CG-CG 4.34Å; L312-L316 VanDerWaalsContact O-CG 3.26Å; L312-L316 WeakPolarHBondContact O-CG 3.32Å; L312-L316 PolarHBondContact O-N 2.98Å; L312-L339 HydrophobicContact CD2-CD1 3.61Å; L312-L339 HydrophobicContact CG-CD1 3.8Å; L312-V342 HydrophobicContact CD1-CG1 4.15Å; L312-V342 HydrophobicContact CD2-CG1 4.35Å; L312-Q343 HydrophobicContact CD2-CG 4.17Å; L312-M346 HydrophobicContact CD1-CE 4.28Å; L312-M346 HydrophobicContact CD2-CE 4.38Å
313	K	97.2	Very high	95.7	Very high	115 Å²	115	39 Å²	39	50%	0.5	20%	0.196	S	C	.	.	H	α-helix	trans	-58.7	-43	179.3	-175.6	-178.6	178.2	-175.2	0	111.7	T309 D310 I311 N317 L339	T309-K313 WeakPolarHBondContact O-CB 3.28Å; T309-K313 PolarHBondContact O-N 3.4Å; D310-K313 WeakPolarHBondContact O-CB 3.49Å; D310-K313 PolarHBondContact O-N 3.48Å; I311-K313 VanDerWaalsContact C-N 3.32Å; I311-K313 PolarHBondContact O-N 3.44Å; K313-N317 WeakPolarHBondContact O-CB 3.39Å; K313-N317 PolarHBondContact O-N 3.08Å; K313-N317 PolarHBondContact O-ND2 2.99Å; K313-L339 HydrophobicContact CB-CD1 4.45Å; K313-L339 HydrophobicContact CB-CD2 4.24Å; K313-L339 HydrophobicContact CD-CD2 4.37Å; K313-L339 HydrophobicContact CG-CD2 4.25Å
314	E	95.1	Very high	95.8	Very high	79 Å²	79	42.4 Å²	42.4	37%	0.369	21%	0.209	S	C	.	.	H	α-helix	trans	-61.8	-49	175.9	-70.8	-178.7	-163.3	0	0	112.6	R188 D310 I311 L312 L316 N317 S318	R188-E314 IonicContact CZ-OE2 2.78Å; R188-E314 IonicContact NH1-OE2 2.84Å; R188-E314 PolarHBondContact NH1-OE2 2.89Å; R188-E314 VanDerWaalsContact NH2-CD 3.29Å; R188-E314 IonicContact NH2-OE1 2.7Å; R188-E314 PolarHBondContact NH2-OE1 3.04Å; R188-E314 VanDerWaalsContact NH2-OE1 3.08Å; R188-E314 IonicContact NH2-OE2 2.8Å; R188-E314 PolarHBondContact NH2-OE2 3.1Å; D310-E314 PolarHBondContact O-N 3.42Å; I311-E314 PolarHBondContact O-N 3.01Å; L312-E314 VanDerWaalsContact C-N 3.31Å; L312-E314 PolarHBondContact O-N 2.93Å; E314-L316 PolarHBondContact O-N 2.92Å; E314-N317 PolarHBondContact O-N 3.45Å; E314-S318 PolarHBondContact O-N 3.09Å
315	K	95.2	Very high	95.8	Very high	16 Å²	16	47.8 Å²	47.8	7%	0.07	24%	0.237	C	C	.	.	H	α-helix	trans	-58	-47.3	178.5	-74.3	-171.4	177.4	-176.4	0	111.6	S263 Y265 D266 E267 I311 L312 N317 S318 R319	S263-K315 PolarHBondContact O-NZ 3.48Å; Y265-K315 HydrophobicContact CE1-CB 4.23Å; Y265-K315 HydrophobicContact CE1-CD 4.17Å; D266-K315 IonicContact OD1-NZ 3.55Å; D266-K315 PolarHBondContact OD1-NZ 3.45Å; D266-K315 IonicContact OD2-NZ 2.65Å; E267-K315 IonicContact OE1-NZ 2.79Å; E267-K315 PolarHBondContact OE1-NZ 3.47Å; I311-K315 PolarHBondContact O-N 3.38Å; L312-K315 PolarHBondContact O-N 3.44Å; K315-N317 PolarHBondContact O-N 3.15Å; K315-S318 PolarHBondContact O-N 3.45Å; K315-S318 PolarHBondContact O-OG 2.89Å; K315-R319 PolarHBondContact O-N 3.41Å
316	L	96.9	Very high	95.6	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-62.8	-40.7	178.8	-63.5	-178.7	0	0	0	112.5	Y265 L312 E314 S318 R319 P336 L339 V342	Y265-L316 HydrophobicContact CE1-CD2 4.28Å; L312-L316 HydrophobicContact CD1-CD1 3.95Å; L312-L316 HydrophobicContact CD1-CD2 4.3Å; L312-L316 HydrophobicContact CD1-CG 3.95Å; L312-L316 HydrophobicContact CG-CD1 3.99Å; L312-L316 HydrophobicContact CG-CG 4.34Å; L312-L316 VanDerWaalsContact O-CG 3.26Å; L312-L316 WeakPolarHBondContact O-CG 3.32Å; L312-L316 PolarHBondContact O-N 2.98Å; E314-L316 PolarHBondContact O-N 2.92Å; L316-S318 VanDerWaalsContact C-N 3.31Å; L316-S318 PolarHBondContact O-N 3.28Å; L316-R319 PolarHBondContact O-N 3.09Å; L316-P336 WeakPolarHBondContact CD2-O 3.41Å; L316-L339 HydrophobicContact CD1-CB 4.21Å; L316-L339 HydrophobicContact CD1-CD1 4.03Å; L316-V342 HydrophobicContact CD1-CB 4.03Å; L316-V342 HydrophobicContact CD1-CG1 4.32Å; L316-V342 HydrophobicContact CD1-CG2 3.89Å; L316-V342 HydrophobicContact CD2-CG2 3.99Å
317	N	96.2	Very high	95.5	Very high	113 Å²	113	50.2 Å²	50.2	60%	0.604	25%	0.249	S	C	*	.	H	α-helix	trans	-66.1	-33	176.9	-73.9	-15.6	0	0	0	112.7	K313 E314 K315 R319	K313-N317 WeakPolarHBondContact O-CB 3.39Å; K313-N317 PolarHBondContact O-N 3.08Å; K313-N317 PolarHBondContact O-ND2 2.99Å; E314-N317 PolarHBondContact O-N 3.45Å; K315-N317 PolarHBondContact O-N 3.15Å; N317-R319 PolarHBondContact O-N 2.87Å
318	S	93.7	Very high	95.4	Very high	63 Å²	63	55.7 Å²	55.7	44%	0.441	29%	0.285	S	S	.	.	H	α-helix	trans	-68.4	-22.7	178.3	78.6	0	0	0	0	113.2	E314 K315 L316 T320	E314-S318 PolarHBondContact O-N 3.09Å; K315-S318 PolarHBondContact O-N 3.45Å; K315-S318 PolarHBondContact O-OG 2.89Å; L316-S318 VanDerWaalsContact C-N 3.31Å; L316-S318 PolarHBondContact O-N 3.28Å; S318-T320 PolarHBondContact O-N 3.35Å; S318-T320 VanDerWaalsContact O-N 3.12Å; S318-T320 PolarHBondContact OG-N 3.45Å; S318-T320 PolarHBondContact OG-OG1 3.34Å
319	R	94.6	Very high	95.3	Very high	172 Å²	172	59.6 Å²	59.6	65%	0.649	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	22.7	-177	-58.7	-175	167.7	-152.6	-6.1	114.6	K315 L316 N317 F337	K315-R319 PolarHBondContact O-N 3.41Å; L316-R319 PolarHBondContact O-N 3.09Å; N317-R319 PolarHBondContact O-N 2.87Å; R319-F337 HydrophobicContact CB-CD1 4.12Å; R319-F337 HydrophobicContact CB-CE1 3.98Å; R319-F337 HydrophobicContact CB-CZ 4.38Å; R319-F337 HydrophobicContact CG-CB 4.48Å; R319-F337 HydrophobicContact CG-CD1 3.88Å; R319-F337 HydrophobicContact CG-CE1 4.23Å; R319-F337 HydrophobicContact CG-CG 4.04Å
320	T	89.6	Confident	95.3	Very high	92 Å²	92	58.8 Å²	58.8	56%	0.564	30%	0.301	S	S	*	.	S	Bend	trans	-86.8	-21	-178.5	59	0	0	0	0	113.5	S318	S318-T320 PolarHBondContact O-N 3.35Å; S318-T320 VanDerWaalsContact O-N 3.12Å; S318-T320 PolarHBondContact OG-N 3.45Å; S318-T320 PolarHBondContact OG-OG1 3.34Å
321	S	92.2	Very high	95.3	Very high	15 Å²	15	58.2 Å²	58.2	11%	0.105	30%	0.3	C	S	.	.			trans	-135.5	139.3	176.4	63.1	0	0	0	0	111.7	Y265 D266 F337	Y265-S321 PolarHBondContact OH-O 2.95Å; Y265-S321 PolarHBondContact OH-OG 3.06Å; D266-S321 WeakPolarHBondContact OD2-CB 3.39Å; D266-S321 PolarHBondContact OD2-OG 3.29Å; S321-F337 WeakPolarHBondContact O-CE1 3.24Å
322	N	94	Very high	95.3	Very high	39 Å²	39	64.4 Å²	64.4	21%	0.209	34%	0.338	C	S	.	.			trans	-112.5	122.6	-176.2	-175	-17.3	0	0	0	109.6	R324 D325 P336 F337	N322-R324 PolarHBondContact O-N 3.02Å; N322-R324 WeakPolarHBondContact OD1-CB 3.37Å; N322-R324 WeakPolarHBondContact OD1-CG 3.39Å; N322-R324 PolarHBondContact OD1-N 3.35Å; N322-D325 WeakPolarHBondContact O-CB 3.28Å; N322-D325 PolarHBondContact O-N 2.75Å; N322-P336 WeakPolarHBondContact OD1-CB 3.24Å; N322-F337 HydrophobicContact CB-CZ 4.24Å
323	I	96.7	Very high	95.2	Very high	0 Å²	0	73.3 Å²	73.3	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-56.9	-26.5	-179.7	-169	165.8	0	0	0	113.1	Y265 D325 E326 F327 Y330 P336 V342 F345 M346	Y265-I323 HydrophobicContact CD2-CB 3.86Å; Y265-I323 HydrophobicContact CD2-CG1 4.02Å; Y265-I323 HydrophobicContact CE2-CB 4.22Å; Y265-I323 HydrophobicContact CG-CB 4.43Å; Y265-I323 HydrophobicContact CG-CD1 4.36Å; Y265-I323 HydrophobicContact CG-CG1 4.23Å; I323-D325 PolarHBondContact O-N 3.4Å; I323-E326 PolarHBondContact O-N 3.46Å; I323-F327 HydrophobicContact CD1-CD2 4.32Å; I323-F327 HydrophobicContact CG1-CB 4.36Å; I323-F327 HydrophobicContact CG1-CD2 3.63Å; I323-F327 HydrophobicContact CG1-CE2 4.38Å; I323-F327 HydrophobicContact CG1-CG 4.27Å; I323-F327 WeakPolarHBondContact O-CB 3.15Å; I323-F327 PolarHBondContact O-N 2.99Å; I323-Y330 HydrophobicContact CD1-CD2 4.38Å; I323-Y330 HydrophobicContact CD1-CE2 4.44Å; I323-Y330 HydrophobicContact CG2-CD1 4.34Å; I323-Y330 HydrophobicContact CG2-CD2 3.66Å; I323-Y330 HydrophobicContact CG2-CE1 4.34Å; I323-Y330 HydrophobicContact CG2-CE2 3.69Å; I323-Y330 HydrophobicContact CG2-CG 4Å; I323-P336 HydrophobicContact CG2-CB 3.97Å; I323-V342 HydrophobicContact CD1-CG1 3.77Å; I323-V342 HydrophobicContact CG2-CG2 4.37Å; I323-F345 HydrophobicContact CD1-CD1 4Å; I323-F345 HydrophobicContact CD1-CE1 4.17Å; I323-M346 HydrophobicContact CD1-CE 4.04Å
324	R	96.2	Very high	95.2	Very high	72 Å²	72	68.9 Å²	68.9	27%	0.272	36%	0.358	S	S	.	.	H	α-helix	trans	-61.9	-27.6	177.9	-66.7	-162.9	167.2	99.2	6.9	113.9	N322 E326 F327 Y330 P331 V332 M334 P336	N322-R324 PolarHBondContact O-N 3.02Å; N322-R324 WeakPolarHBondContact OD1-CB 3.37Å; N322-R324 WeakPolarHBondContact OD1-CG 3.39Å; N322-R324 PolarHBondContact OD1-N 3.35Å; R324-E326 PolarHBondContact O-N 2.96Å; R324-F327 CarbonylContact O-C 3.33Å; R324-F327 PolarHBondContact O-N 3.1Å; R324-Y330 HydrophobicContact CG-CD1 3.92Å; R324-Y330 HydrophobicContact CG-CG 4.24Å; R324-P331 PolarHBondContact NH2-O 2.89Å; R324-V332 PolarHBondContact NH2-O 2.81Å; R324-M334 PolarHBondContact NH2-O 2.78Å; R324-P336 HydrophobicContact CG-CB 4.4Å
325	D	95	Very high	95.3	Very high	117 Å²	117	68.3 Å²	68.3	63%	0.626	36%	0.357	S	S	*	.	H	α-helix	trans	-64.7	-35.4	-178	-58.2	-20.5	0	0	0	110.3	N322 I323	N322-D325 WeakPolarHBondContact O-CB 3.28Å; N322-D325 PolarHBondContact O-N 2.75Å; I323-D325 PolarHBondContact O-N 3.4Å
326	E	95.1	Very high	95.4	Very high	51 Å²	51	68 Å²	68	24%	0.238	36%	0.357	C	S	.	.	H	α-helix	trans	-98.7	-23	179.8	-63.3	-66.9	145.6	0	0	112.7	Y265 H268 N279 H282 I323 R324	Y265-E326 WeakPolarHBondContact O-CB 3.28Å; Y265-E326 WeakPolarHBondContact O-CG 3.32Å; H268-E326 IonicContact CD2-OE2 2.82Å; H268-E326 VanDerWaalsContact CE1-CD 3.47Å; H268-E326 IonicContact CE1-OE1 3.08Å; H268-E326 PolarHBondContact CE1-OE1 3.5Å; H268-E326 IonicContact CE1-OE2 3.22Å; H268-E326 IonicContact NE2-OE1 2.82Å; H268-E326 PolarHBondContact NE2-OE1 3.32Å; H268-E326 IonicContact NE2-OE2 3.04Å; H268-E326 PolarHBondContact NE2-OE2 2.95Å; N279-E326 WeakPolarHBondContact CB-OE2 3.39Å; N279-E326 WeakPolarHBondContact ND2-CG 3.38Å; N279-E326 PolarHBondContact ND2-OE2 3.04Å; H282-E326 PolarHBondContact NE2-O 3.46Å; I323-E326 PolarHBondContact O-N 3.46Å; R324-E326 PolarHBondContact O-N 2.96Å
327	F	96.8	Very high	95.4	Very high	2 Å²	2	70.1 Å²	70.1	1%	0.009	37%	0.366	C	S	.	.			trans	-126.5	79.3	-179.6	-62.8	-91.1	0	0	0	110.7	L281 H282 M285 I323 R324 N329 Y330 F345	L281-F327 HydrophobicContact CB-CE2 4.38Å; L281-F327 HydrophobicContact CB-CZ 3.93Å; L281-F327 HydrophobicContact CD2-CE2 3.86Å; L281-F327 HydrophobicContact CD2-CZ 3.64Å; L281-F327 HydrophobicContact CG-CE2 4.38Å; L281-F327 HydrophobicContact CG-CZ 3.77Å; H282-F327 AromaticContact CD2-CE1 3.95Å; H282-F327 AromaticContact CD2-CZ 3.81Å; H282-F327 AromaticContact CE1-CD1 3.65Å; H282-F327 AromaticContact CE1-CE1 3.31Å; H282-F327 WeakPolarHBondContact CE1-CE1 3.19Å; H282-F327 AromaticContact CE1-CZ 3.97Å; H282-F327 AromaticContact ND1-CE1 3.72Å; H282-F327 AromaticContact NE2-CD1 3.76Å; H282-F327 AromaticContact NE2-CE1 3.46Å; H282-F327 WeakPolarHBondContact NE2-CE1 3.45Å; H282-F327 AromaticContact NE2-CZ 3.72Å; M285-F327 HydrophobicContact SD-CE1 3.74Å; M285-F327 HydrophobicContact SD-CZ 4.48Å; I323-F327 HydrophobicContact CD1-CD2 4.32Å; I323-F327 HydrophobicContact CG1-CB 4.36Å; I323-F327 HydrophobicContact CG1-CD2 3.63Å; I323-F327 HydrophobicContact CG1-CE2 4.38Å; I323-F327 HydrophobicContact CG1-CG 4.27Å; I323-F327 WeakPolarHBondContact O-CB 3.15Å; I323-F327 PolarHBondContact O-N 2.99Å; R324-F327 CarbonylContact O-C 3.33Å; R324-F327 PolarHBondContact O-N 3.1Å; F327-N329 PolarHBondContact O-N 3.38Å; F327-N329 VanDerWaalsContact O-N 3.07Å; F327-Y330 WeakPolarHBondContact O-CB 3.08Å; F327-Y330 PolarHBondContact O-N 3.42Å; F327-F345 HydrophobicContact CB-CE1 3.9Å; F327-F345 HydrophobicContact CB-CZ 3.76Å; F327-F345 AromaticContact CD1-CE1 3.83Å; F327-F345 HydrophobicContact CD1-CE1 3.83Å; F327-F345 AromaticContact CD1-CZ 3.87Å; F327-F345 HydrophobicContact CD1-CZ 3.87Å; F327-F345 AromaticContact CG-CE1 3.84Å; F327-F345 HydrophobicContact CG-CE1 3.84Å; F327-F345 HydrophobicContact CG-CZ 4.03Å
328	P	95.2	Very high	95.5	Very high	118 Å²	118	71.6 Å²	71.6	77%	0.766	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-20.3	-179.4	-24.8	34.6	0	0	0	114.1	Y330	P328-Y330 VanDerWaalsContact C-N 3.27Å
329	N	94.1	Very high	95.7	Very high	109 Å²	109	70.9 Å²	70.9	58%	0.583	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	1.6	174.9	66.3	-30.7	0	0	0	113.7	F327	F327-N329 PolarHBondContact O-N 3.38Å; F327-N329 VanDerWaalsContact O-N 3.07Å
330	Y	97.3	Very high	95.9	Very high	5 Å²	5	67.5 Å²	67.5	2%	0.02	35%	0.346	C	S	.	.	S	Bend	trans	-60.1	124	174.6	-174.3	-90.1	0	0	0	110.4	I323 R324 F327 P328 V332 M334 D335 P336 D341 V342 F345	I323-Y330 HydrophobicContact CD1-CD2 4.38Å; I323-Y330 HydrophobicContact CD1-CE2 4.44Å; I323-Y330 HydrophobicContact CG2-CD1 4.34Å; I323-Y330 HydrophobicContact CG2-CD2 3.66Å; I323-Y330 HydrophobicContact CG2-CE1 4.34Å; I323-Y330 HydrophobicContact CG2-CE2 3.69Å; I323-Y330 HydrophobicContact CG2-CG 4Å; R324-Y330 HydrophobicContact CG-CD1 3.92Å; R324-Y330 HydrophobicContact CG-CG 4.24Å; F327-Y330 WeakPolarHBondContact O-CB 3.08Å; F327-Y330 PolarHBondContact O-N 3.42Å; P328-Y330 VanDerWaalsContact C-N 3.27Å; Y330-V332 PolarHBondContact O-N 3.25Å; Y330-M334 HydrophobicContact CD1-CB 4.42Å; Y330-M334 HydrophobicContact CE1-CB 3.56Å; Y330-D335 PolarHBondContact OH-O 3.44Å; Y330-P336 HydrophobicContact CE1-CB 4.21Å; Y330-D341 WeakPolarHBondContact OH-CB 3.4Å; Y330-V342 HydrophobicContact CE2-CG2 4.34Å; Y330-V342 WeakPolarHBondContact OH-CG2 3.18Å; Y330-V342 PolarHBondContact OH-N 3.39Å; Y330-F345 HydrophobicContact CD2-CB 3.82Å; Y330-F345 AromaticContact CD2-CD1 3.55Å; Y330-F345 HydrophobicContact CD2-CD1 3.55Å; Y330-F345 AromaticContact CD2-CD2 3.76Å; Y330-F345 HydrophobicContact CD2-CD2 3.76Å; Y330-F345 AromaticContact CD2-CE1 3.98Å; Y330-F345 HydrophobicContact CD2-CE1 3.98Å; Y330-F345 HydrophobicContact CD2-CE2 4.17Å; Y330-F345 AromaticContact CD2-CG 3.4Å; Y330-F345 HydrophobicContact CD2-CG 3.4Å; Y330-F345 VanDerWaalsContact CD2-CG 3.4Å; Y330-F345 HydrophobicContact CD2-CZ 4.26Å; Y330-F345 HydrophobicContact CE2-CB 3.55Å; Y330-F345 AromaticContact CE2-CD1 3.95Å; Y330-F345 HydrophobicContact CE2-CD1 3.95Å; Y330-F345 HydrophobicContact CE2-CD2 4.37Å; Y330-F345 AromaticContact CE2-CG 3.7Å; Y330-F345 HydrophobicContact CE2-CG 3.7Å; Y330-F345 HydrophobicContact CG-CD2 4.48Å; Y330-F345 HydrophobicContact CG-CG 4.49Å
331	P	96.9	Very high	96.3	Very high	34 Å²	34	64.3 Å²	64.3	22%	0.221	33%	0.325	C	S	.	.			trans	-54.4	133.7	-171.9	-29.3	35.7	0	0	0	113.7	R324 K333 M334	R324-P331 PolarHBondContact NH2-O 2.89Å; P331-K333 HydrophobicContact CB-CG 4.12Å; P331-K333 PolarHBondContact O-N 3.31Å; P331-M334 HydrophobicContact CB-CB 4.32Å; P331-M334 HydrophobicContact CB-CG 4.14Å; P331-M334 HydrophobicContact CB-SD 4.01Å; P331-M334 HydrophobicContact CG-CE 4.43Å; P331-M334 HydrophobicContact CG-SD 3.77Å; P331-M334 PolarHBondContact O-N 2.81Å; P331-M334 VanDerWaalsContact O-N 3.13Å
332	V	95.5	Very high	96.6	Very high	139 Å²	139	63.6 Å²	63.6	84%	0.842	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-32.2	179.4	-178.6	0	0	0	0	111.8	R324 Y330 M334	R324-V332 PolarHBondContact NH2-O 2.81Å; Y330-V332 PolarHBondContact O-N 3.25Å; V332-M334 VanDerWaalsContact C-N 3.3Å; V332-M334 PolarHBondContact O-N 2.68Å
333	K	96.6	Very high	96.8	Very high	188 Å²	188	62.3 Å²	62.3	82%	0.817	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-15.4	179.7	67.1	178.6	179.5	179.6	0	115.2	P331	P331-K333 HydrophobicContact CB-CG 4.12Å; P331-K333 PolarHBondContact O-N 3.31Å
334	M	97.3	Very high	96.8	Very high	22 Å²	22	64.1 Å²	64.1	11%	0.108	32%	0.324	C	S	.	.	S	Bend	trans	-92.8	140.1	-177.8	-80.7	177.8	179.9	0	0	109.7	R324 Y330 P331 V332 D341 T344 F345	R324-M334 PolarHBondContact NH2-O 2.78Å; Y330-M334 HydrophobicContact CD1-CB 4.42Å; Y330-M334 HydrophobicContact CE1-CB 3.56Å; P331-M334 HydrophobicContact CB-CB 4.32Å; P331-M334 HydrophobicContact CB-CG 4.14Å; P331-M334 HydrophobicContact CB-SD 4.01Å; P331-M334 HydrophobicContact CG-CE 4.43Å; P331-M334 HydrophobicContact CG-SD 3.77Å; P331-M334 PolarHBondContact O-N 2.81Å; P331-M334 VanDerWaalsContact O-N 3.13Å; V332-M334 VanDerWaalsContact C-N 3.3Å; V332-M334 PolarHBondContact O-N 2.68Å; M334-D341 HydrophobicContact CB-CB 3.92Å; M334-D341 HydrophobicContact CG-CB 4.08Å; M334-T344 HydrophobicContact CE-CG2 3.86Å; M334-F345 HydrophobicContact SD-CB 4.32Å
335	D	97.1	Very high	96.9	Very high	66 Å²	66	61 Å²	61	35%	0.353	31%	0.312	S	S	.	.			trans	-78.6	123.8	174.5	177.4	-8.9	0	0	0	109.2	Y330 F337 R338 D341	Y330-D335 PolarHBondContact OH-O 3.44Å; D335-F337 PolarHBondContact O-N 3.2Å; D335-F337 PolarHBondContact OD1-N 3.46Å; D335-R338 HydrophobicContact CB-CB 3.67Å; D335-R338 PolarHBondContact O-N 2.94Å; D335-D341 PolarHBondContact N-OD2 3.02Å; D335-D341 WeakPolarHBondContact O-CB 3.32Å
336	P	97.2	Very high	97.1	Very high	9 Å²	9	55.5 Å²	55.5	6%	0.058	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-11.1	-176.9	33.4	-37.5	0	0	0	112.9	L316 N322 I323 R324 Y330 V342	L316-P336 WeakPolarHBondContact CD2-O 3.41Å; N322-P336 WeakPolarHBondContact OD1-CB 3.24Å; I323-P336 HydrophobicContact CG2-CB 3.97Å; R324-P336 HydrophobicContact CG-CB 4.4Å; Y330-P336 HydrophobicContact CE1-CB 4.21Å; P336-V342 WeakPolarHBondContact O-CG2 3.5Å
337	F	97.3	Very high	97.1	Very high	47 Å²	47	54 Å²	54	21%	0.206	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	0.3	177.3	-56.7	-68.7	0	0	0	112.5	R319 S321 N322 D335	R319-F337 HydrophobicContact CB-CD1 4.12Å; R319-F337 HydrophobicContact CB-CE1 3.98Å; R319-F337 HydrophobicContact CB-CZ 4.38Å; R319-F337 HydrophobicContact CG-CB 4.48Å; R319-F337 HydrophobicContact CG-CD1 3.88Å; R319-F337 HydrophobicContact CG-CE1 4.23Å; R319-F337 HydrophobicContact CG-CG 4.04Å; S321-F337 WeakPolarHBondContact O-CE1 3.24Å; N322-F337 HydrophobicContact CB-CZ 4.24Å; D335-F337 PolarHBondContact O-N 3.2Å; D335-F337 PolarHBondContact OD1-N 3.46Å
338	R	97.7	Very high	97.1	Very high	143 Å²	143	58.8 Å²	58.8	54%	0.54	30%	0.3	S	S	.	.			trans	-91.9	115.9	175.3	-172.6	177.8	-175.2	-168.3	4.2	110.1	D335 Q340 D341 V342	D335-R338 HydrophobicContact CB-CB 3.67Å; D335-R338 PolarHBondContact O-N 2.94Å; R338-Q340 VanDerWaalsContact C-N 3.29Å; R338-Q340 PolarHBondContact O-N 3.19Å; R338-Q340 VanDerWaalsContact O-N 3.16Å; R338-D341 HydrophobicContact CB-CB 4.22Å; R338-D341 IonicContact NH1-OD1 3.82Å; R338-D341 PolarHBondContact O-N 2.89Å; R338-V342 PolarHBondContact O-N 2.65Å; R338-V342 VanDerWaalsContact O-N 3.12Å
339	L	98	Very high	97.1	Very high	48 Å²	48	53.9 Å²	53.9	25%	0.251	27%	0.268	S	S	.	.	H	α-helix	trans	-48.3	-47.4	-178.1	-180	64.3	0	0	0	113.5	L312 K313 L316 D341 V342 Q343	L312-L339 HydrophobicContact CD2-CD1 3.61Å; L312-L339 HydrophobicContact CG-CD1 3.8Å; K313-L339 HydrophobicContact CB-CD1 4.45Å; K313-L339 HydrophobicContact CB-CD2 4.24Å; K313-L339 HydrophobicContact CD-CD2 4.37Å; K313-L339 HydrophobicContact CG-CD2 4.25Å; L316-L339 HydrophobicContact CD1-CB 4.21Å; L316-L339 HydrophobicContact CD1-CD1 4.03Å; L339-D341 VanDerWaalsContact C-N 3.33Å; L339-D341 PolarHBondContact O-N 3.47Å; L339-V342 PolarHBondContact O-N 2.78Å; L339-Q343 HydrophobicContact CD1-CG 4.03Å; L339-Q343 HydrophobicContact CG-CG 4.32Å; L339-Q343 VanDerWaalsContact O-CB 3.24Å; L339-Q343 WeakPolarHBondContact O-CB 3.37Å; L339-Q343 VanDerWaalsContact O-CG 3.24Å; L339-Q343 WeakPolarHBondContact O-CG 3.35Å; L339-Q343 PolarHBondContact O-N 3.31Å
340	Q	98	Very high	97.2	Very high	101 Å²	101	48.8 Å²	48.8	47%	0.472	24%	0.24	S	C	.	.	H	α-helix	trans	-63.4	-38	-177.8	-175.5	59.2	50.9	0	0	112.7	R338 T344	R338-Q340 VanDerWaalsContact C-N 3.29Å; R338-Q340 PolarHBondContact O-N 3.19Å; R338-Q340 VanDerWaalsContact O-N 3.16Å; Q340-T344 PolarHBondContact NE2-OG1 3.49Å; Q340-T344 WeakPolarHBondContact O-CB 3.48Å; Q340-T344 PolarHBondContact O-N 3.29Å; Q340-T344 PolarHBondContact O-OG1 2.93Å
341	D	98.3	Very high	97	Very high	25 Å²	25	50.9 Å²	50.9	13%	0.134	26%	0.258	C	S	.	.	H	α-helix	trans	-71.5	-45	-178.1	-71.3	5.3	0	0	0	109.8	Y330 M334 D335 R338 L339 Q343 T344 F345	Y330-D341 WeakPolarHBondContact OH-CB 3.4Å; M334-D341 HydrophobicContact CB-CB 3.92Å; M334-D341 HydrophobicContact CG-CB 4.08Å; D335-D341 PolarHBondContact N-OD2 3.02Å; D335-D341 WeakPolarHBondContact O-CB 3.32Å; R338-D341 HydrophobicContact CB-CB 4.22Å; R338-D341 IonicContact NH1-OD1 3.82Å; R338-D341 PolarHBondContact O-N 2.89Å; L339-D341 VanDerWaalsContact C-N 3.33Å; L339-D341 PolarHBondContact O-N 3.47Å; D341-Q343 PolarHBondContact O-N 3.27Å; D341-T344 PolarHBondContact O-N 2.8Å; D341-F345 PolarHBondContact O-N 2.88Å
342	V	98.3	Very high	96.8	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.7	-45.4	175.1	175.3	0	0	0	0	111.8	L312 L316 I323 Y330 P336 R338 L339 T344 F345 M346	L312-V342 HydrophobicContact CD1-CG1 4.15Å; L312-V342 HydrophobicContact CD2-CG1 4.35Å; L316-V342 HydrophobicContact CD1-CB 4.03Å; L316-V342 HydrophobicContact CD1-CG1 4.32Å; L316-V342 HydrophobicContact CD1-CG2 3.89Å; L316-V342 HydrophobicContact CD2-CG2 3.99Å; I323-V342 HydrophobicContact CD1-CG1 3.77Å; I323-V342 HydrophobicContact CG2-CG2 4.37Å; Y330-V342 HydrophobicContact CE2-CG2 4.34Å; Y330-V342 WeakPolarHBondContact OH-CG2 3.18Å; Y330-V342 PolarHBondContact OH-N 3.39Å; P336-V342 WeakPolarHBondContact O-CG2 3.5Å; R338-V342 PolarHBondContact O-N 2.65Å; R338-V342 VanDerWaalsContact O-N 3.12Å; L339-V342 PolarHBondContact O-N 2.78Å; V342-T344 VanDerWaalsContact C-N 3.33Å; V342-T344 PolarHBondContact O-N 3.46Å; V342-F345 PolarHBondContact O-N 2.91Å; V342-M346 HydrophobicContact CG1-CE 3.61Å; V342-M346 WeakPolarHBondContact O-CG 3.35Å; V342-M346 PolarHBondContact O-N 3.45Å
343	Q	98.1	Very high	96.7	Very high	13 Å²	13	48 Å²	48	6%	0.061	24%	0.244	C	C	.	.	H	α-helix	trans	-62.3	-39.3	175.5	-80.9	-177.3	-28.5	0	0	112.6	L312 L339 D341 M346 V347 F409	L312-Q343 HydrophobicContact CD2-CG 4.17Å; L339-Q343 HydrophobicContact CD1-CG 4.03Å; L339-Q343 HydrophobicContact CG-CG 4.32Å; L339-Q343 VanDerWaalsContact O-CB 3.24Å; L339-Q343 WeakPolarHBondContact O-CB 3.37Å; L339-Q343 VanDerWaalsContact O-CG 3.24Å; L339-Q343 WeakPolarHBondContact O-CG 3.35Å; L339-Q343 PolarHBondContact O-N 3.31Å; D341-Q343 PolarHBondContact O-N 3.27Å; Q343-M346 PolarHBondContact O-N 3.07Å; Q343-V347 VanDerWaalsContact O-CG2 3.23Å; Q343-V347 WeakPolarHBondContact O-CG2 3.33Å; Q343-V347 PolarHBondContact O-N 3.04Å; Q343-V347 VanDerWaalsContact O-N 3.1Å; Q343-F409 HydrophobicContact CB-CD1 4.39Å; Q343-F409 HydrophobicContact CB-CE1 3.55Å; Q343-F409 HydrophobicContact CB-CE2 4.33Å; Q343-F409 HydrophobicContact CB-CZ 3.51Å; Q343-F409 HydrophobicContact CG-CD1 3.81Å; Q343-F409 HydrophobicContact CG-CE1 3.41Å; Q343-F409 VanDerWaalsContact CG-CE1 3.41Å; Q343-F409 HydrophobicContact CG-CZ 3.87Å
344	T	97.9	Very high	96.5	Very high	37 Å²	37	39.4 Å²	39.4	23%	0.227	21%	0.207	C	C	.	.	H	α-helix	trans	-65.5	-46.2	177.6	-58.4	0	0	0	0	110.6	M334 Q340 D341 V342 M346 V347 E348	M334-T344 HydrophobicContact CE-CG2 3.86Å; Q340-T344 PolarHBondContact NE2-OG1 3.49Å; Q340-T344 WeakPolarHBondContact O-CB 3.48Å; Q340-T344 PolarHBondContact O-N 3.29Å; Q340-T344 PolarHBondContact O-OG1 2.93Å; D341-T344 PolarHBondContact O-N 2.8Å; V342-T344 VanDerWaalsContact C-N 3.33Å; V342-T344 PolarHBondContact O-N 3.46Å; T344-M346 PolarHBondContact O-N 2.88Å; T344-V347 PolarHBondContact O-N 3.27Å; T344-E348 WeakPolarHBondContact O-CG 3.39Å; T344-E348 PolarHBondContact O-N 3.07Å
345	F	98	Very high	95.8	Very high	6 Å²	6	42.6 Å²	42.6	3%	0.026	22%	0.224	C	C	.	.	H	α-helix	trans	-56.1	-50.1	174.1	170.4	-104	0	0	0	112.3	I323 F327 Y330 M334 D341 V342 V347 E348 V349	I323-F345 HydrophobicContact CD1-CD1 4Å; I323-F345 HydrophobicContact CD1-CE1 4.17Å; F327-F345 HydrophobicContact CB-CE1 3.9Å; F327-F345 HydrophobicContact CB-CZ 3.76Å; F327-F345 AromaticContact CD1-CE1 3.83Å; F327-F345 HydrophobicContact CD1-CE1 3.83Å; F327-F345 AromaticContact CD1-CZ 3.87Å; F327-F345 HydrophobicContact CD1-CZ 3.87Å; F327-F345 AromaticContact CG-CE1 3.84Å; F327-F345 HydrophobicContact CG-CE1 3.84Å; F327-F345 HydrophobicContact CG-CZ 4.03Å; Y330-F345 HydrophobicContact CD2-CB 3.82Å; Y330-F345 AromaticContact CD2-CD1 3.55Å; Y330-F345 HydrophobicContact CD2-CD1 3.55Å; Y330-F345 AromaticContact CD2-CD2 3.76Å; Y330-F345 HydrophobicContact CD2-CD2 3.76Å; Y330-F345 AromaticContact CD2-CE1 3.98Å; Y330-F345 HydrophobicContact CD2-CE1 3.98Å; Y330-F345 HydrophobicContact CD2-CE2 4.17Å; Y330-F345 AromaticContact CD2-CG 3.4Å; Y330-F345 HydrophobicContact CD2-CG 3.4Å; Y330-F345 VanDerWaalsContact CD2-CG 3.4Å; Y330-F345 HydrophobicContact CD2-CZ 4.26Å; Y330-F345 HydrophobicContact CE2-CB 3.55Å; Y330-F345 AromaticContact CE2-CD1 3.95Å; Y330-F345 HydrophobicContact CE2-CD1 3.95Å; Y330-F345 HydrophobicContact CE2-CD2 4.37Å; Y330-F345 AromaticContact CE2-CG 3.7Å; Y330-F345 HydrophobicContact CE2-CG 3.7Å; Y330-F345 HydrophobicContact CG-CD2 4.48Å; Y330-F345 HydrophobicContact CG-CG 4.49Å; M334-F345 HydrophobicContact SD-CB 4.32Å; D341-F345 PolarHBondContact O-N 2.88Å; V342-F345 PolarHBondContact O-N 2.91Å; F345-V347 VanDerWaalsContact C-N 3.26Å; F345-V347 PolarHBondContact O-N 3.39Å; F345-E348 PolarHBondContact O-N 2.91Å; F345-V349 HydrophobicContact CD1-CG2 4.36Å; F345-V349 HydrophobicContact CD2-CG2 3.9Å; F345-V349 HydrophobicContact CE1-CG2 3.98Å; F345-V349 HydrophobicContact CE2-CG2 3.47Å; F345-V349 VanDerWaalsContact CE2-CG2 3.47Å; F345-V349 HydrophobicContact CG-CG2 4.34Å; F345-V349 HydrophobicContact CZ-CG2 3.52Å; F345-V349 WeakPolarHBondContact O-CB 3.32Å; F345-V349 WeakPolarHBondContact O-CG2 3.43Å; F345-V349 PolarHBondContact O-N 3.46Å
346	M	97.7	Very high	94.7	Very high	3 Å²	3	43 Å²	43	2%	0.015	22%	0.224	C	C	.	.	H	α-helix	trans	-58.1	-41.1	179	-71.2	179.1	-173.9	0	0	111.7	S262 L281 F306 L312 I323 V342 Q343 T344 V349 F350	S262-M346 WeakPolarHBondContact O-CE 3.23Å; L281-M346 HydrophobicContact CD2-CE 3.89Å; L281-M346 HydrophobicContact CD2-CG 4.5Å; F306-M346 HydrophobicContact CD1-CB 4.16Å; F306-M346 HydrophobicContact CE1-CB 3.82Å; L312-M346 HydrophobicContact CD1-CE 4.28Å; L312-M346 HydrophobicContact CD2-CE 4.38Å; I323-M346 HydrophobicContact CD1-CE 4.04Å; V342-M346 HydrophobicContact CG1-CE 3.61Å; V342-M346 WeakPolarHBondContact O-CG 3.35Å; V342-M346 PolarHBondContact O-N 3.45Å; Q343-M346 PolarHBondContact O-N 3.07Å; T344-M346 PolarHBondContact O-N 2.88Å; M346-V349 PolarHBondContact O-N 2.89Å; M346-F350 VanDerWaalsContact O-CD2 3.3Å; M346-F350 WeakPolarHBondContact O-CD2 3.17Å; M346-F350 PolarHBondContact O-N 2.87Å
347	V	96.9	Very high	93.3	Very high	18 Å²	18	49 Å²	49	11%	0.109	26%	0.256	C	S	.	.	H	α-helix	trans	-64.2	-46.7	177.4	167	0	0	0	0	111.7	F306 Q343 T344 F345 V349 A351 R407 F409	F306-V347 HydrophobicContact CD2-CG2 4.14Å; F306-V347 HydrophobicContact CE2-CG2 3.57Å; F306-V347 HydrophobicContact CZ-CB 4.45Å; F306-V347 HydrophobicContact CZ-CG2 3.81Å; Q343-V347 VanDerWaalsContact O-CG2 3.23Å; Q343-V347 WeakPolarHBondContact O-CG2 3.33Å; Q343-V347 PolarHBondContact O-N 3.04Å; Q343-V347 VanDerWaalsContact O-N 3.1Å; T344-V347 PolarHBondContact O-N 3.27Å; F345-V347 VanDerWaalsContact C-N 3.26Å; F345-V347 PolarHBondContact O-N 3.39Å; V347-V349 VanDerWaalsContact C-N 3.33Å; V347-V349 PolarHBondContact O-N 3.12Å; V347-A351 WeakPolarHBondContact O-CB 3.43Å; V347-A351 PolarHBondContact O-N 3.4Å; V347-R407 VanDerWaalsContact CG1-CD 3.4Å; V347-R407 VanDerWaalsContact CG2-NH1 3.32Å; V347-F409 HydrophobicContact CG2-CE1 4.33Å; V347-F409 HydrophobicContact CG2-CZ 3.68Å
348	E	95.7	Very high	91.6	Very high	104 Å²	104	48.8 Å²	48.8	49%	0.486	26%	0.255	S	S	.	.	H	α-helix	trans	-61.5	-43.4	179.2	-72.3	175.6	175	0	0	111.2	T344 F345 A351 S352	T344-E348 WeakPolarHBondContact O-CG 3.39Å; T344-E348 PolarHBondContact O-N 3.07Å; F345-E348 PolarHBondContact O-N 2.91Å; E348-A351 PolarHBondContact O-N 3.3Å; E348-S352 WeakPolarHBondContact O-CB 3.48Å; E348-S352 PolarHBondContact O-N 2.82Å
349	V	95.6	Very high	89.7	Confident	15 Å²	15	45.7 Å²	45.7	9%	0.091	25%	0.253	C	S	.	.	H	α-helix	trans	-62	-52.9	178.4	170.4	0	0	0	0	110.8	M285 F345 M346 V347 A351 S352 L353	M285-V349 HydrophobicContact CE-CG1 3.19Å; M285-V349 HydrophobicContact CG-CG1 4.24Å; M285-V349 HydrophobicContact SD-CG1 3.51Å; M285-V349 VanDerWaalsContact SD-CG1 3.51Å; F345-V349 HydrophobicContact CD1-CG2 4.36Å; F345-V349 HydrophobicContact CD2-CG2 3.9Å; F345-V349 HydrophobicContact CE1-CG2 3.98Å; F345-V349 HydrophobicContact CE2-CG2 3.47Å; F345-V349 VanDerWaalsContact CE2-CG2 3.47Å; F345-V349 HydrophobicContact CG-CG2 4.34Å; F345-V349 HydrophobicContact CZ-CG2 3.52Å; F345-V349 WeakPolarHBondContact O-CB 3.32Å; F345-V349 WeakPolarHBondContact O-CG2 3.43Å; F345-V349 PolarHBondContact O-N 3.46Å; M346-V349 PolarHBondContact O-N 2.89Å; V347-V349 VanDerWaalsContact C-N 3.33Å; V347-V349 PolarHBondContact O-N 3.12Å; V349-A351 VanDerWaalsContact C-N 3.34Å; V349-A351 PolarHBondContact O-N 3.01Å; V349-S352 PolarHBondContact O-N 3.08Å; V349-S352 PolarHBondContact O-OG 2.97Å; V349-L353 WeakPolarHBondContact O-CG 3.49Å
350	F	96.1	Very high	87.7	Confident	1 Å²	1	47.8 Å²	47.8	0%	0.004	27%	0.27	C	S	.	.	H	α-helix	trans	-66.5	-34.6	179.4	-84	-94.8	0	0	0	112.8	F258 I260 L281 A284 M285 F288 F306 M346 S352 L353	F258-F350 HydrophobicContact CE1-CE1 4.42Å; I260-F350 HydrophobicContact CD1-CD1 3.47Å; I260-F350 VanDerWaalsContact CD1-CD1 3.47Å; I260-F350 HydrophobicContact CD1-CD2 3.94Å; I260-F350 HydrophobicContact CD1-CE1 3.33Å; I260-F350 HydrophobicContact CD1-CE2 3.81Å; I260-F350 HydrophobicContact CD1-CG 3.78Å; I260-F350 HydrophobicContact CD1-CZ 3.51Å; I260-F350 HydrophobicContact CG1-CD1 4.41Å; I260-F350 HydrophobicContact CG1-CE1 3.82Å; I260-F350 HydrophobicContact CG1-CZ 3.88Å; I260-F350 HydrophobicContact CG2-CE2 4.21Å; I260-F350 HydrophobicContact CG2-CZ 3.96Å; L281-F350 HydrophobicContact CD1-CE2 4.04Å; L281-F350 HydrophobicContact CD1-CZ 4.24Å; A284-F350 HydrophobicContact CB-CZ 4.18Å; M285-F350 HydrophobicContact CB-CZ 4.37Å; M285-F350 HydrophobicContact CG-CD2 4.31Å; M285-F350 HydrophobicContact CG-CE1 4.15Å; M285-F350 HydrophobicContact CG-CE2 3.64Å; M285-F350 HydrophobicContact CG-CZ 3.54Å; F288-F350 HydrophobicContact CB-CD1 3.95Å; F288-F350 HydrophobicContact CB-CE1 3.73Å; F288-F350 AromaticContact CD1-CD1 3.66Å; F288-F350 HydrophobicContact CD1-CD1 3.66Å; F288-F350 HydrophobicContact CD1-CE1 4.32Å; F288-F350 HydrophobicContact CD2-CD1 4.23Å; F288-F350 HydrophobicContact CE1-CD1 4.19Å; F288-F350 VanDerWaalsContact CE1-O 3.29Å; F288-F350 WeakPolarHBondContact CE1-O 3.46Å; F288-F350 AromaticContact CG-CD1 3.67Å; F288-F350 HydrophobicContact CG-CD1 3.67Å; F288-F350 AromaticContact CG-CE1 3.98Å; F288-F350 HydrophobicContact CG-CE1 3.98Å; F306-F350 AromaticContact CE1-CD2 3.93Å; F306-F350 HydrophobicContact CE1-CD2 3.93Å; F306-F350 HydrophobicContact CE1-CE2 4.43Å; F306-F350 HydrophobicContact CE1-CG 4.34Å; F306-F350 HydrophobicContact CZ-CB 4.2Å; F306-F350 HydrophobicContact CZ-CD2 4.36Å; F306-F350 HydrophobicContact CZ-CG 4.39Å; M346-F350 VanDerWaalsContact O-CD2 3.3Å; M346-F350 WeakPolarHBondContact O-CD2 3.17Å; M346-F350 PolarHBondContact O-N 2.87Å; F350-S352 VanDerWaalsContact C-N 3.31Å; F350-S352 PolarHBondContact O-N 3.49Å; F350-L353 PolarHBondContact O-N 2.85Å
351	A	93.1	Very high	85.9	Confident	49 Å²	49	46.7 Å²	46.7	41%	0.405	27%	0.267	S	S	.	.	H	α-helix	trans	-65.2	-35.2	175.2	0	0	0	0	0	112.3	V347 E348 V349 L353 V354	V347-A351 WeakPolarHBondContact O-CB 3.43Å; V347-A351 PolarHBondContact O-N 3.4Å; E348-A351 PolarHBondContact O-N 3.3Å; V349-A351 VanDerWaalsContact C-N 3.34Å; V349-A351 PolarHBondContact O-N 3.01Å; A351-L353 PolarHBondContact O-N 3.17Å; A351-V354 PolarHBondContact O-N 3.37Å
352	S	92.9	Very high	83.4	Confident	91 Å²	91	51.7 Å²	51.7	64%	0.636	30%	0.298	S	S	*	.	H	α-helix	trans	-68.8	-20.5	179.4	72.1	0	0	0	0	113.7	E348 V349 F350 V354	E348-S352 WeakPolarHBondContact O-CB 3.48Å; E348-S352 PolarHBondContact O-N 2.82Å; V349-S352 PolarHBondContact O-N 3.08Å; V349-S352 PolarHBondContact O-OG 2.97Å; F350-S352 VanDerWaalsContact C-N 3.31Å; F350-S352 PolarHBondContact O-N 3.49Å; S352-V354 VanDerWaalsContact C-N 3.28Å; S352-V354 PolarHBondContact O-N 2.7Å
353	L	94	Very high	80.9	Confident	22 Å²	22	58.6 Å²	58.6	12%	0.115	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-4.3	176.8	-59.3	172.8	0	0	0	113.9	M285 F288 E289 N293 V349 F350 A351	M285-L353 HydrophobicContact CB-CD1 3.85Å; M285-L353 HydrophobicContact CE-CD1 4.44Å; M285-L353 HydrophobicContact CG-CD1 4.22Å; F288-L353 HydrophobicContact CD1-CB 4.04Å; F288-L353 HydrophobicContact CD1-CD1 4.11Å; F288-L353 HydrophobicContact CE1-CB 4.22Å; E289-L353 HydrophobicContact CB-CB 4.16Å; E289-L353 HydrophobicContact CB-CD1 4.35Å; E289-L353 HydrophobicContact CB-CD2 4.25Å; E289-L353 HydrophobicContact CB-CG 4.48Å; E289-L353 HydrophobicContact CG-CB 4.33Å; E289-L353 HydrophobicContact CG-CD2 4.26Å; N293-L353 PolarHBondContact ND2-O 3.1Å; V349-L353 WeakPolarHBondContact O-CG 3.49Å; F350-L353 PolarHBondContact O-N 2.85Å; A351-L353 PolarHBondContact O-N 3.17Å
354	V	90.5	Very high	78.3	Confident	7 Å²	7	59.8 Å²	59.8	4%	0.042	34%	0.343	C	S	.	.	S	Bend	trans	-93.6	112.3	-177.8	-177.2	0	0	0	0	110.6	F288 I292 A351 S352 H356 V405	F288-V354 HydrophobicContact CE1-CG2 3.72Å; F288-V354 HydrophobicContact CZ-CG2 3.84Å; I292-V354 HydrophobicContact CG1-CG2 4.43Å; I292-V354 HydrophobicContact CG2-CG2 4.22Å; A351-V354 PolarHBondContact O-N 3.37Å; S352-V354 VanDerWaalsContact C-N 3.28Å; S352-V354 PolarHBondContact O-N 2.7Å; V354-H356 PolarHBondContact O-N 3.39Å; V354-V405 HydrophobicContact CG1-CG2 4.27Å; V354-V405 HydrophobicContact CG2-CG2 4.15Å
355	N	84.4	Confident	75.4	Confident	89 Å²	89	69.4 Å²	69.4	48%	0.476	38%	0.375	S	S	.	.			trans	-69.3	124	175.8	-69.8	-23	0	0	0	110.7	N293 F358	N293-N355 VanDerWaalsContact OD1-CB 3.31Å; N293-N355 WeakPolarHBondContact OD1-CB 3.31Å; N293-N355 PolarHBondContact OD1-N 3.29Å; N355-F358 WeakPolarHBondContact O-CE2 3.48Å
356	H	74	Confident	72.6	Confident	74 Å²	74	74.3 Å²	74.3	34%	0.343	41%	0.41	S	S	.	.			trans	-90.7	-17.4	175	-65.8	-41	0	0	0	113.2	V354 V400	V354-H356 PolarHBondContact O-N 3.39Å; H356-V400 WeakPolarHBondContact O-CG1 3.21Å
357	N	67.5	Low	69.6	Low	136 Å²	136	78.1 Å²	78.1	73%	0.727	44%	0.437	S	S	*	.			trans	-101	91	-177.3	-65.7	-19.4	0	0	0	110.8
358	F	61.8	Low	66.7	Low	43 Å²	43	85.6 Å²	85.6	19%	0.189	48%	0.475	C	S	.	.	P	Polyproline II helix	trans	-91.7	132.4	167.8	-79.6	-87.1	0	0	0	110.1	N293 R298 N355	N293-F358 WeakPolarHBondContact O-CE1 3.31Å; R298-F358 HydrophobicContact CG-CD1 4.4Å; R298-F358 HydrophobicContact CG-CD2 4.39Å; R298-F358 HydrophobicContact CG-CG 4.19Å; N355-F358 WeakPolarHBondContact O-CE2 3.48Å
359	P	58	Low	63.8	Low	77 Å²	77	84.6 Å²	84.6	50%	0.5	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-53.8	149.3	171.7	-22.2	31	0	0	0	111.6	R298	R298-P359 PolarHBondContact NH1-O 3.5Å; R298-P359 PolarHBondContact NH2-O 2.9Å
360	P	56.1	Low	60.9	Low	93 Å²	93	93.6 Å²	93.6	60%	0.604	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-54.1	146.8	170.2	-21.2	31.5	0	0	0	111.1	T362	P360-T362 PolarHBondContact O-N 3.48Å
361	D	58.3	Low	58	Low	77 Å²	77	98.5 Å²	98.5	41%	0.412	56%	0.555	S	S	.	*	G	3₁₀ helix	trans	-57	-7.9	-174.8	-78.6	-30.5	0	0	0	114.2	R298 R299 Q363	R298-D361 IonicContact CZ-OD1 2.9Å; R298-D361 IonicContact NH1-OD1 3.31Å; R298-D361 PolarHBondContact NH1-OD1 3.18Å; R299-D361 IonicContact NH2-OD2 3.45Å; R299-D361 PolarHBondContact NH2-OD2 2.96Å; D361-Q363 VanDerWaalsContact C-N 3.34Å; D361-Q363 PolarHBondContact O-N 2.99Å
362	T	47.5	Very low	55.2	Low	130 Å²	130	100.9 Å²	100.9	80%	0.798	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-72.5	-15	-176.2	-11.8	0	0	0	0	115.2	P360	P360-T362 PolarHBondContact O-N 3.48Å
363	Q	44.5	Very low	52.4	Low	146 Å²	146	106.7 Å²	106.7	68%	0.682	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-101.6	-8.8	-180	-73.3	-176	-2.1	0	0	114.9	D361	D361-Q363 VanDerWaalsContact C-N 3.34Å; D361-Q363 PolarHBondContact O-N 2.99Å
364	A	43.2	Very low	49.6	Very low	38 Å²	38	112.7 Å²	112.7	31%	0.314	62%	0.615	S	S	.	*	G	3₁₀ helix	trans	-88.2	-7.7	-173.1	0	0	0	0	0	114.8	I295 S366	I295-A364 HydrophobicContact CD1-CB 3.63Å; A364-S366 VanDerWaalsContact C-N 3.3Å; A364-S366 PolarHBondContact O-N 3.19Å
365	R	38.5	Very low	46.8	Very low	239 Å²	239	118.9 Å²	118.9	90%	0.902	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-79.6	-5.7	-177.5	-79.4	-173.3	174.8	-175.6	-1.3	114.6
366	S	38	Very low	44.3	Very low	109 Å²	109	121.2 Å²	121.2	76%	0.762	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-111.1	1.4	-177.4	54.3	0	0	0	0	115.3	A364	A364-S366 VanDerWaalsContact C-N 3.3Å; A364-S366 PolarHBondContact O-N 3.19Å
367	S	36	Very low	42.3	Very low	82 Å²	82	122.3 Å²	122.3	57%	0.573	69%	0.687	S	S	*	*			trans	-117.7	17.1	-171.9	55.1	0	0	0	0	115.7	S369	S367-S369 PolarHBondContact O-N 3.28Å
368	L	34.9	Very low	40.3	Very low	175 Å²	175	125.7 Å²	125.7	92%	0.916	70%	0.696	S	S	*	*			trans	-77.3	64.1	168.4	-72.2	162.4	0	0	0	110.4
369	S	35.6	Very low	38.7	Very low	84 Å²	84	129.8 Å²	129.8	59%	0.587	73%	0.728	S	S	*	*	S	Bend	trans	-134.7	113.8	166.7	62.2	0	0	0	0	109.3	S367 S371	S367-S369 PolarHBondContact O-N 3.28Å; S369-S371 PolarHBondContact O-N 3.33Å; S369-S371 VanDerWaalsContact O-N 3.15Å
370	H	34.6	Very low	37.2	Very low	204 Å²	204	130.8 Å²	130.8	94%	0.944	74%	0.737	S	S	*	*			trans	-19.8	104.9	167.7	-73.6	-87.3	0	0	0	115.3
371	S	34	Very low	36	Very low	103 Å²	103	131 Å²	131	72%	0.72	74%	0.74	S	S	*	*			trans	173.9	141.1	158.9	49.4	0	0	0	0	107.6	S369	S369-S371 PolarHBondContact O-N 3.33Å; S369-S371 VanDerWaalsContact O-N 3.15Å
372	S	35.8	Very low	34.7	Very low	99 Å²	99	134.3 Å²	134.3	69%	0.692	76%	0.757	S	S	*	*			cis	-161.3	115.5	-2.7	-87.6	0	0	0	0	105.4	N374	S372-N374 VanDerWaalsContact C-N 3.34Å; S372-N374 PolarHBondContact O-N 2.93Å
373	F	32.3	Very low	34.1	Very low	213 Å²	213	136.4 Å²	136.4	93%	0.934	76%	0.758	S	S	*	*			trans	-84.4	88.6	153.1	-102	-87.3	0	0	0	105.6
374	N	35.5	Very low	33.4	Very low	149 Å²	149	139 Å²	139	80%	0.797	76%	0.761	S	S	*	*			trans	-137.1	120.8	164.2	-93.7	-17.5	0	0	0	109.1	S372	S372-N374 VanDerWaalsContact C-N 3.34Å; S372-N374 PolarHBondContact O-N 2.93Å
375	N	32.9	Very low	32.9	Very low	137 Å²	137	144 Å²	144	73%	0.733	78%	0.778	S	S	*	*			trans	-59.3	151.3	169.7	-92.2	-22.3	0	0	0	111.2
376	T	30.9	Very low	32.7	Very low	138 Å²	138	139.8 Å²	139.8	85%	0.847	77%	0.773	S	S	*	*			trans	74.5	139.7	148.1	52.3	0	0	0	0	120.3
377	A	32.7	Very low	32.3	Very low	97 Å²	97	139.7 Å²	139.7	80%	0.802	77%	0.773	S	S	*	*			trans	97.8	104.5	157.2	0	0	0	0	0	118.4
378	K	26.2	Very low	32.4	Very low	207 Å²	207	141.6 Å²	141.6	90%	0.9	78%	0.781	S	S	*	*			trans	-24.9	138.5	152.9	-64.2	168	174.4	175.3	0	114.3
379	C	27.2	Very low	32.1	Very low	129 Å²	129	139 Å²	139	87%	0.872	78%	0.775	S	S	*	*				-170.4	154.7	113.6	-133.1	0	0	0	0	113
380	S	27	Very low	32	Very low	97 Å²	97	142 Å²	142	68%	0.678	78%	0.782	S	S	*	*			trans	-80.6	158.6	-169.2	46.4	0	0	0	0	116.2
381	S	31.4	Very low	31.9	Very low	97 Å²	97	136.3 Å²	136.3	68%	0.678	77%	0.766	S	S	*	*			trans	103.5	132.6	134.3	79.7	0	0	0	0	120.2
382	L	29.9	Very low	31.6	Very low	147 Å²	147	138.1 Å²	138.1	77%	0.77	77%	0.772	S	S	*	*			trans	73.2	123.1	149.9	-63.1	151.5	0	0	0	115.2
383	H	34.3	Very low	31.4	Very low	175 Å²	175	139.9 Å²	139.9	81%	0.81	77%	0.774	S	S	*	*				-169.1	178.6	52.7	-125.1	31.7	0	0	0	114.1
384	R	30.5	Very low	31.4	Very low	201 Å²	201	136.5 Å²	136.5	76%	0.758	77%	0.771	S	S	*	*			trans	-73.9	157.3	-158.8	-96.5	174.5	169.2	-175.1	-2.6	119.5
385	Q	33.2	Very low	31.1	Very low	141 Å²	141	134.9 Å²	134.9	66%	0.659	77%	0.766	S	S	*	*			trans	73.3	113	137.2	-75.6	173	-3.5	0	0	120.3
386	N	33.1	Very low	31.2	Very low	151 Å²	151	138.1 Å²	138.1	81%	0.807	77%	0.774	S	S	*	*				-177.7	143.3	90.7	-95.3	-29.9	0	0	0	113.1
387	S	29.8	Very low	31.3	Very low	107 Å²	107	137.4 Å²	137.4	75%	0.748	77%	0.77	S	S	*	*			trans	-79.8	140.7	-178.8	47	0	0	0	0	113.6
388	V	37.7	Very low	31.5	Very low	123 Å²	123	136.6 Å²	136.6	75%	0.745	76%	0.763	S	S	*	*			trans	-142.1	131.3	152.2	-176.4	0	0	0	0	108.4	I390	V388-I390 HydrophobicContact CG1-CD1 4.35Å; V388-I390 HydrophobicContact CG1-CG1 4.19Å
389	P	29.3	Very low	32.1	Very low	121 Å²	121	132.4 Å²	132.4	79%	0.786	76%	0.757	S	S	*	*			trans	-92.5	127.1	178.2	34.2	-26.8	0	0	0	109.8
390	I	33.6	Very low	32.9	Very low	145 Å²	145	130.7 Å²	130.7	74%	0.744	74%	0.742	S	S	*	*			trans	-136.3	109.2	171.2	-61.9	-177.9	0	0	0	111.2	V388	V388-I390 HydrophobicContact CG1-CD1 4.35Å; V388-I390 HydrophobicContact CG1-CG1 4.19Å
391	S	32.4	Very low	34.2	Very low	86 Å²	86	135.3 Å²	135.3	60%	0.601	75%	0.745	S	S	*	*			trans	35.5	119.8	150.2	71.7	0	0	0	0	119.9	N393	S391-N393 PolarHBondContact O-N 3.26Å
392	T	28.5	Very low	35.6	Very low	140 Å²	140	138.3 Å²	138.3	86%	0.859	75%	0.746	S	S	*	*			trans	-53.4	96.3	159.3	46.8	0	0	0	0	111.9
393	N	32.2	Very low	37.6	Very low	136 Å²	136	132.6 Å²	132.6	73%	0.727	71%	0.714	S	S	*	*			trans	-94.9	116.8	157.6	-88	-18.5	0	0	0	108.3	S391 T395	S391-N393 PolarHBondContact O-N 3.26Å; N393-T395 VanDerWaalsContact C-N 3.27Å; N393-T395 PolarHBondContact O-N 3.2Å
394	V	31.2	Very low	39.4	Very low	143 Å²	143	129.1 Å²	129.1	87%	0.867	70%	0.699	S	S	*	*			trans	-66.8	88.3	170.7	179.7	0	0	0	0	107.6	F396	V394-F396 PolarHBondContact O-N 2.96Å
395	T	30.2	Very low	42	Very low	114 Å²	114	121.9 Å²	121.9	70%	0.699	68%	0.677	S	S	*	*			trans	-74.8	109	169.6	25.9	0	0	0	0	109.2	N393 T397	N393-T395 VanDerWaalsContact C-N 3.27Å; N393-T395 PolarHBondContact O-N 3.2Å; T395-T397 PolarHBondContact O-N 3.47Å
396	F	33.7	Very low	44.7	Very low	206 Å²	206	116.8 Å²	116.8	90%	0.904	65%	0.652	S	S	*	*			trans	-58.2	101.9	163.8	-139.5	-95.3	0	0	0	107.9	V394 A398	V394-F396 PolarHBondContact O-N 2.96Å; F396-A398 PolarHBondContact O-N 3.27Å
397	T	33.8	Very low	47.7	Very low	122 Å²	122	115.7 Å²	115.7	75%	0.748	64%	0.637	S	S	*	*			trans	-74.2	108.4	178.7	44	0	0	0	0	108.7	T395	T395-T397 PolarHBondContact O-N 3.47Å
398	A	37.1	Very low	50.8	Low	80 Å²	80	112.6 Å²	112.6	66%	0.661	61%	0.61	S	S	*	*			trans	-55.1	138.5	168.4	0	0	0	0	0	109.3	F396 V400	F396-A398 PolarHBondContact O-N 3.27Å; A398-V400 PolarHBondContact O-N 2.95Å; A398-V400 VanDerWaalsContact O-N 3.15Å
399	P	37.8	Very low	53.7	Low	120 Å²	120	109.1 Å²	109.1	78%	0.779	59%	0.586	S	S	*	*			trans	-58.6	123.4	-176.6	21.7	-31.1	0	0	0	110.1	R401	P399-R401 PolarHBondContact O-N 3.29Å
400	V	44.9	Very low	56.9	Low	92 Å²	92	103.4 Å²	103.4	56%	0.558	55%	0.548	S	S	*	.			trans	-62.1	109.4	177.2	-179.9	0	0	0	0	108	H356 A398 K402	H356-V400 WeakPolarHBondContact O-CG1 3.21Å; A398-V400 PolarHBondContact O-N 2.95Å; A398-V400 VanDerWaalsContact O-N 3.15Å; V400-K402 PolarHBondContact O-N 3.38Å
401	R	53.8	Low	60	Low	194 Å²	194	97.4 Å²	97.4	73%	0.732	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-66.9	116.2	178.9	-73.4	-176.7	175.4	178.3	-3.9	109.5	P399 R403 M439	P399-R401 PolarHBondContact O-N 3.29Å; R401-R403 PolarHBondContact O-N 3.04Å; R401-M439 PolarHBondContact NH1-SD 3.38Å; R401-M439 PolarHBondContact NH2-SD 3.01Å; R401-M439 VanDerWaalsContact NH2-SD 3.36Å
402	K	61.2	Low	63	Low	161 Å²	161	93.5 Å²	93.5	70%	0.7	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-61	121.2	174.4	-166.5	174.3	-176	176.4	0	109.2	V400 M404	V400-K402 PolarHBondContact O-N 3.38Å; K402-M404 PolarHBondContact O-N 3.04Å
403	R	71.1	Confident	66.2	Low	26 Å²	26	88.6 Å²	88.6	10%	0.098	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-68.5	122.7	178.8	-159.1	168.2	172.7	-156	-11.7	108.9	I292 F297 I302 R401	I292-R403 PolarHBondContact O-NH1 3.23Å; I292-R403 PolarHBondContact O-NH2 3.33Å; F297-R403 PolarHBondContact O-NE 3.27Å; F297-R403 PolarHBondContact O-NH2 3.25Å; I302-R403 HydrophobicContact CD1-CG 4.14Å; R401-R403 PolarHBondContact O-N 3.04Å
404	M	72.4	Confident	69.2	Low	102 Å²	102	85.5 Å²	85.5	50%	0.502	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-78.4	128.9	178.6	-66.7	-173.5	71	0	0	109.8	K402 Y406	K402-M404 PolarHBondContact O-N 3.04Å; M404-Y406 HydrophobicContact CB-CE2 3.98Å; M404-Y406 HydrophobicContact CE-CE1 4.11Å
405	V	85.2	Confident	72.2	Confident	49 Å²	49	83.8 Å²	83.8	30%	0.297	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	115.7	175.8	-179.3	0	0	0	0	107.2	I302 I304 V354	I302-V405 HydrophobicContact CB-CG1 4.5Å; I302-V405 HydrophobicContact CB-CG2 4.35Å; I302-V405 HydrophobicContact CD1-CG2 4Å; I302-V405 HydrophobicContact CG2-CG1 4.03Å; I302-V405 HydrophobicContact CG2-CG2 4.49Å; I304-V405 HydrophobicContact CD1-CG1 3.45Å; I304-V405 VanDerWaalsContact CD1-CG1 3.45Å; I304-V405 HydrophobicContact CG1-CG1 3.86Å; V354-V405 HydrophobicContact CG1-CG2 4.27Å; V354-V405 HydrophobicContact CG2-CG2 4.15Å
406	Y	91.1	Very high	75.3	Confident	35 Å²	35	87.9 Å²	87.9	14%	0.137	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	145.3	176.7	-58.1	-90.8	0	0	0	109.1	I302 I303 I304 M404 T428 N432	I302-Y406 WeakPolarHBondContact O-CD2 3.3Å; I302-Y406 PolarHBondContact O-N 2.85Å; I303-Y406 CarbonylContact C-O 3.56Å; I303-Y406 WeakPolarHBondContact CA-O 3.41Å; I303-Y406 HydrophobicContact CG1-CD2 4.47Å; I304-Y406 PolarHBondContact N-O 3.48Å; M404-Y406 HydrophobicContact CB-CE2 3.98Å; M404-Y406 HydrophobicContact CE-CE1 4.11Å; Y406-T428 HydrophobicContact CD1-CG2 3.53Å; Y406-T428 HydrophobicContact CD2-CG2 3.39Å; Y406-T428 HydrophobicContact CE1-CG2 3.46Å; Y406-T428 VanDerWaalsContact CE1-CG2 3.46Å; Y406-T428 HydrophobicContact CE2-CG2 3.34Å; Y406-T428 HydrophobicContact CG-CG2 3.48Å; Y406-T428 VanDerWaalsContact CG-CG2 3.48Å; Y406-N432 PolarHBondContact OH-ND2 3.41Å
407	R	94.1	Very high	78.3	Confident	128 Å²	128	80 Å²	80	48%	0.483	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	138.9	-175.8	62.6	179.2	-179.5	115.8	-6.5	111.4	I304 F306 V347	I304-R407 CarbonylContact O-C 3.57Å; I304-R407 VanDerWaalsContact O-CA 3.28Å; I304-R407 WeakPolarHBondContact O-CA 3.22Å; F306-R407 HydrophobicContact CE2-CB 4.18Å; V347-R407 VanDerWaalsContact CG1-CD 3.4Å; V347-R407 VanDerWaalsContact CG2-NH1 3.32Å
408	H	96.2	Very high	81.2	Confident	41 Å²	41	74.1 Å²	74.1	19%	0.19	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	143.7	173.9	-60.2	-89.6	0	0	0	110.2	I304 F305 F306 T410 V421	I304-H408 PolarHBondContact O-N 3.45Å; F305-H408 WeakPolarHBondContact CA-O 3.39Å; F305-H408 HydrophobicContact CD1-CB 3.8Å; F305-H408 HydrophobicContact CE1-CB 3.89Å; F305-H408 AromaticContact CE1-CD2 3.71Å; F306-H408 PolarHBondContact N-O 2.88Å; H408-T410 HydrophobicContact CB-CG2 4.27Å; H408-V421 HydrophobicContact CB-CG1 3.65Å; H408-V421 HydrophobicContact CB-CG2 4.17Å
409	F	97.2	Very high	83.8	Confident	51 Å²	51	73.3 Å²	73.3	22%	0.224	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	126.8	166.8	-63.7	-75.5	0	0	0	108.1	F306 Q343 V347	F306-F409 HydrophobicContact CB-CD1 3.39Å; F306-F409 HydrophobicContact CB-CE1 3.63Å; F306-F409 HydrophobicContact CB-CG 4.38Å; F306-F409 HydrophobicContact CD2-CD1 4.36Å; F306-F409 AromaticContact CD2-CE1 3.97Å; F306-F409 HydrophobicContact CD2-CE1 3.97Å; F306-F409 HydrophobicContact CD2-CZ 4.45Å; F306-F409 HydrophobicContact CG-CD1 4.09Å; F306-F409 AromaticContact CG-CE1 3.81Å; F306-F409 HydrophobicContact CG-CE1 3.81Å; F306-F409 CarbonylContact O-C 3.6Å; F306-F409 WeakPolarHBondContact O-CA 3.3Å; Q343-F409 HydrophobicContact CB-CD1 4.39Å; Q343-F409 HydrophobicContact CB-CE1 3.55Å; Q343-F409 HydrophobicContact CB-CE2 4.33Å; Q343-F409 HydrophobicContact CB-CZ 3.51Å; Q343-F409 HydrophobicContact CG-CD1 3.81Å; Q343-F409 HydrophobicContact CG-CE1 3.41Å; Q343-F409 VanDerWaalsContact CG-CE1 3.41Å; Q343-F409 HydrophobicContact CG-CZ 3.87Å; V347-F409 HydrophobicContact CG2-CE1 4.33Å; V347-F409 HydrophobicContact CG2-CZ 3.68Å
410	T	97.8	Very high	86.4	Confident	1 Å²	1	72.2 Å²	72.2	1%	0.006	33%	0.33	C	S	.	.			trans	-130	154.5	-170.8	51.6	0	0	0	0	111.9	F305 F306 N307 K308 T309 H408 N417 I418 V421	F305-T410 HydrophobicContact CB-CG2 4.23Å; F305-T410 HydrophobicContact CD1-CG2 4.11Å; F305-T410 HydrophobicContact CD2-CG2 3.79Å; F305-T410 HydrophobicContact CE1-CG2 4.47Å; F305-T410 HydrophobicContact CE2-CG2 4.17Å; F305-T410 HydrophobicContact CG-CG2 3.77Å; F306-T410 PolarHBondContact O-N 3.22Å; N307-T410 CarbonylContact C-O 3.6Å; N307-T410 VanDerWaalsContact CA-O 3.28Å; N307-T410 WeakPolarHBondContact CA-O 3.39Å; N307-T410 VanDerWaalsContact CA-OG1 3.29Å; N307-T410 WeakPolarHBondContact CA-OG1 3.36Å; N307-T410 WeakPolarHBondContact CB-OG1 3.38Å; N307-T410 PolarHBondContact OD1-O 2.93Å; K308-T410 PolarHBondContact N-O 3.33Å; K308-T410 VanDerWaalsContact N-O 3.15Å; T309-T410 WeakPolarHBondContact CB-O 3.47Å; T309-T410 PolarHBondContact N-O 3.19Å; T309-T410 VanDerWaalsContact N-O 3.15Å; T309-T410 PolarHBondContact OG1-N 3Å; T309-T410 PolarHBondContact OG1-O 3.27Å; H408-T410 HydrophobicContact CB-CG2 4.27Å; T410-N417 VanDerWaalsContact CA-OD1 3.23Å; T410-N417 WeakPolarHBondContact CA-OD1 3.33Å; T410-I418 HydrophobicContact CG2-CD1 4.19Å; T410-V421 HydrophobicContact CG2-CB 4.27Å; T410-V421 HydrophobicContact CG2-CG1 3.86Å; T410-V421 HydrophobicContact CG2-CG2 4.02Å
411	T	97.3	Very high	88.5	Confident	18 Å²	18	68.3 Å²	68.3	11%	0.11	31%	0.307	C	S	.	.			trans	-128.1	98.1	164.8	-65.6	0	0	0	0	105.8	D310 V413 D414 N417	D310-T411 HydrophobicContact CB-CG2 3.98Å; D310-T411 VanDerWaalsContact CG-CG2 3.45Å; D310-T411 PolarHBondContact N-OG1 3.07Å; D310-T411 WeakPolarHBondContact OD1-CG2 3.44Å; D310-T411 PolarHBondContact OD1-OG1 3.46Å; T411-V413 HydrophobicContact CG2-CG2 3.54Å; T411-V413 PolarHBondContact O-N 2.76Å; T411-D414 HydrophobicContact CG2-CB 3.87Å; T411-D414 PolarHBondContact O-N 3.22Å; T411-N417 PolarHBondContact N-OD1 3.16Å
412	A	95.9	Very high	90.2	Very high	4 Å²	4	59.2 Å²	59.2	3%	0.033	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-17.5	-171.3	0	0	0	0	0	115	T63 N307	T63-A412 HydrophobicContact CG2-CB 3.66Å; N307-A412 WeakPolarHBondContact OD1-CB 3.26Å; N307-A412 PolarHBondContact OD1-N 2.96Å
413	V	95.2	Very high	91.4	Very high	37 Å²	37	55.6 Å²	55.6	22%	0.224	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-12.1	174.9	-58.6	0	0	0	0	113.2	T63 V210 W211 T411	T63-V413 HydrophobicContact CG2-CG1 4.01Å; V210-V413 HydrophobicContact CG1-CB 4.26Å; V210-V413 HydrophobicContact CG1-CG1 4.1Å; W211-V413 HydrophobicContact CD2-CB 4.49Å; W211-V413 HydrophobicContact CD2-CG1 3.86Å; W211-V413 HydrophobicContact CE3-CG1 4.13Å; W211-V413 HydrophobicContact CG-CG1 4.4Å; W211-V413 HydrophobicContact CH2-CG1 4.24Å; W211-V413 HydrophobicContact CH2-CG2 4.14Å; W211-V413 HydrophobicContact CZ2-CB 3.99Å; W211-V413 HydrophobicContact CZ2-CG1 3.97Å; W211-V413 HydrophobicContact CZ2-CG2 3.66Å; W211-V413 HydrophobicContact CZ3-CG1 4.32Å; T411-V413 HydrophobicContact CG2-CG2 3.54Å; T411-V413 PolarHBondContact O-N 2.76Å
414	D	95.9	Very high	92.1	Very high	71 Å²	71	56.1 Å²	56.1	38%	0.38	27%	0.27	S	S	.	.			trans	-93.5	108.1	177.1	177.5	-11.5	0	0	0	109.8	T411 R416 N417 I418	T411-D414 HydrophobicContact CG2-CB 3.87Å; T411-D414 PolarHBondContact O-N 3.22Å; D414-R416 VanDerWaalsContact C-N 3.35Å; D414-R416 PolarHBondContact O-N 3.44Å; D414-R416 PolarHBondContact OD1-N 3.12Å; D414-N417 HydrophobicContact CB-CB 3.8Å; D414-N417 PolarHBondContact O-N 3.41Å; D414-N417 PolarHBondContact OD1-N 3.03Å; D414-N417 VanDerWaalsContact OD1-N 3.12Å; D414-I418 WeakPolarHBondContact O-CG1 3.48Å; D414-I418 PolarHBondContact O-N 2.98Å
415	R	95	Very high	92.7	Very high	107 Å²	107	51.3 Å²	51.3	40%	0.404	25%	0.247	S	C	.	.	H	α-helix	trans	-53.6	-46.7	178.2	-178.2	173	-180	150.3	3.8	113.2	Q67 I71 I418 E419	Q67-R415 VanDerWaalsContact NE2-CB 3.34Å; I71-R415 HydrophobicContact CD1-CG 4.39Å; I71-R415 HydrophobicContact CG1-CG 3.92Å; R415-I418 PolarHBondContact O-N 3.32Å; R415-E419 HydrophobicContact CG-CG 4.47Å; R415-E419 WeakPolarHBondContact CG-OE1 3.29Å; R415-E419 IonicContact CZ-OE1 2.71Å; R415-E419 IonicContact NE-OE1 3.28Å; R415-E419 PolarHBondContact NE-OE1 2.99Å; R415-E419 IonicContact NH2-OE1 3.64Å; R415-E419 WeakPolarHBondContact O-CG 3.5Å; R415-E419 PolarHBondContact O-N 3.24Å
416	R	95	Very high	92.4	Very high	200 Å²	200	50 Å²	50	76%	0.755	24%	0.238	S	C	*	.	H	α-helix	trans	-70.6	-39	-174.9	-66.6	-179.8	-178.4	167.1	1.3	111	D414 T420	D414-R416 VanDerWaalsContact C-N 3.35Å; D414-R416 PolarHBondContact O-N 3.44Å; D414-R416 PolarHBondContact OD1-N 3.12Å; R416-T420 WeakPolarHBondContact O-CB 3.46Å; R416-T420 PolarHBondContact O-N 2.97Å; R416-T420 PolarHBondContact O-OG1 3.29Å
417	N	95.6	Very high	91.8	Very high	40 Å²	40	53 Å²	53	21%	0.214	26%	0.256	C	S	.	.	H	α-helix	trans	-60	-47.5	174	179	-101.5	0	0	0	111	T410 T411 D414 T420 V421	T410-N417 VanDerWaalsContact CA-OD1 3.23Å; T410-N417 WeakPolarHBondContact CA-OD1 3.33Å; T411-N417 PolarHBondContact N-OD1 3.16Å; D414-N417 HydrophobicContact CB-CB 3.8Å; D414-N417 PolarHBondContact O-N 3.41Å; D414-N417 PolarHBondContact OD1-N 3.03Å; D414-N417 VanDerWaalsContact OD1-N 3.12Å; N417-T420 PolarHBondContact O-N 2.96Å; N417-V421 WeakPolarHBondContact O-CB 3.25Å; N417-V421 WeakPolarHBondContact O-CG2 3.36Å; N417-V421 PolarHBondContact O-N 2.78Å
418	I	94.7	Very high	91	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-67.5	-41.4	179.2	-66	-50.2	0	0	0	112.5	F64 Q67 M68 I71 T410 D414 R415 T420 V421 F422	F64-I418 HydrophobicContact CD2-CD1 4.03Å; F64-I418 HydrophobicContact CD2-CG2 4Å; F64-I418 HydrophobicContact CE2-CD1 4.49Å; F64-I418 HydrophobicContact CE2-CG2 3.88Å; Q67-I418 HydrophobicContact CB-CG2 4.38Å; Q67-I418 HydrophobicContact CG-CB 3.86Å; Q67-I418 HydrophobicContact CG-CG1 3.97Å; Q67-I418 HydrophobicContact CG-CG2 3.89Å; M68-I418 HydrophobicContact CG-CG2 4.49Å; M68-I418 HydrophobicContact SD-CG2 3.8Å; I71-I418 HydrophobicContact CD1-CB 4.09Å; I71-I418 HydrophobicContact CD1-CG2 3.67Å; T410-I418 HydrophobicContact CG2-CD1 4.19Å; D414-I418 WeakPolarHBondContact O-CG1 3.48Å; D414-I418 PolarHBondContact O-N 2.98Å; R415-I418 PolarHBondContact O-N 3.32Å; I418-T420 VanDerWaalsContact C-N 3.33Å; I418-T420 PolarHBondContact O-N 3.19Å; I418-V421 PolarHBondContact O-N 3.28Å; I418-F422 WeakPolarHBondContact O-CB 3.29Å; I418-F422 PolarHBondContact O-N 3.44Å
419	E	92.6	Very high	90	Very high	63 Å²	63	45.9 Å²	45.9	29%	0.294	23%	0.23	S	C	.	.	H	α-helix	trans	-56.3	-47.1	173.4	-77.7	175.7	-172.7	0	0	111.4	I71 R415 F422 N423	I71-E419 HydrophobicContact CB-CG 4.28Å; I71-E419 HydrophobicContact CD1-CG 3.54Å; I71-E419 HydrophobicContact CG1-CG 3.67Å; I71-E419 HydrophobicContact CG2-CG 3.59Å; R415-E419 HydrophobicContact CG-CG 4.47Å; R415-E419 WeakPolarHBondContact CG-OE1 3.29Å; R415-E419 IonicContact CZ-OE1 2.71Å; R415-E419 IonicContact NE-OE1 3.28Å; R415-E419 PolarHBondContact NE-OE1 2.99Å; R415-E419 IonicContact NH2-OE1 3.64Å; R415-E419 WeakPolarHBondContact O-CG 3.5Å; R415-E419 PolarHBondContact O-N 3.24Å; E419-F422 PolarHBondContact O-N 2.93Å; E419-N423 VanDerWaalsContact O-CG 3.23Å; E419-N423 PolarHBondContact O-N 3.32Å; E419-N423 PolarHBondContact O-ND2 3.21Å
420	T	91.4	Very high	88.8	Confident	96 Å²	96	46.9 Å²	46.9	59%	0.589	24%	0.237	S	C	*	.	H	α-helix	trans	-63.5	-47.9	-179.9	-55.9	0	0	0	0	111.9	R416 N417 I418 F422 N423 A424	R416-T420 WeakPolarHBondContact O-CB 3.46Å; R416-T420 PolarHBondContact O-N 2.97Å; R416-T420 PolarHBondContact O-OG1 3.29Å; N417-T420 PolarHBondContact O-N 2.96Å; I418-T420 VanDerWaalsContact C-N 3.33Å; I418-T420 PolarHBondContact O-N 3.19Å; T420-F422 VanDerWaalsContact C-N 3.35Å; T420-N423 PolarHBondContact O-N 3.06Å; T420-A424 PolarHBondContact O-N 2.62Å
421	V	90.4	Very high	87.5	Confident	11 Å²	11	51.5 Å²	51.5	7%	0.067	26%	0.258	C	S	.	.	H	α-helix	trans	-68.6	-36.8	-179	169.5	0	0	0	0	111.3	F305 H408 T410 N417 I418 A424 M425	F305-V421 HydrophobicContact CD1-CG1 4.26Å; F305-V421 HydrophobicContact CE1-CG1 3.4Å; F305-V421 HydrophobicContact CE2-CG1 4.06Å; F305-V421 HydrophobicContact CZ-CG1 3.3Å; H408-V421 HydrophobicContact CB-CG1 3.65Å; H408-V421 HydrophobicContact CB-CG2 4.17Å; T410-V421 HydrophobicContact CG2-CB 4.27Å; T410-V421 HydrophobicContact CG2-CG1 3.86Å; T410-V421 HydrophobicContact CG2-CG2 4.02Å; N417-V421 WeakPolarHBondContact O-CB 3.25Å; N417-V421 WeakPolarHBondContact O-CG2 3.36Å; N417-V421 PolarHBondContact O-N 2.78Å; I418-V421 PolarHBondContact O-N 3.28Å; V421-A424 PolarHBondContact O-N 3.38Å; V421-M425 WeakPolarHBondContact O-CB 3.4Å; V421-M425 PolarHBondContact O-N 2.89Å
422	F	88.5	Confident	86.2	Confident	3 Å²	3	51.7 Å²	51.7	1%	0.013	26%	0.258	C	S	.	.	H	α-helix	trans	-64.5	-43.8	177.6	177.1	-108.4	0	0	0	111.9	M68 V226 L231 F233 I418 E419 T420 A424 M425 Q426	M68-F422 HydrophobicContact CE-CB 4.39Å; M68-F422 HydrophobicContact CE-CD1 3.63Å; M68-F422 HydrophobicContact CE-CD2 3.36Å; M68-F422 HydrophobicContact CE-CE1 3.54Å; M68-F422 HydrophobicContact CE-CE2 3.32Å; M68-F422 HydrophobicContact CE-CG 3.51Å; M68-F422 HydrophobicContact CE-CZ 3.37Å; M68-F422 HydrophobicContact SD-CB 4.01Å; M68-F422 HydrophobicContact SD-CD1 4.31Å; M68-F422 HydrophobicContact SD-CD2 3.7Å; M68-F422 HydrophobicContact SD-CE2 4.25Å; M68-F422 HydrophobicContact SD-CG 3.73Å; V226-F422 HydrophobicContact CB-CE1 4.4Å; V226-F422 HydrophobicContact CB-CZ 4.45Å; V226-F422 HydrophobicContact CG1-CE1 4.1Å; V226-F422 HydrophobicContact CG2-CE1 3.83Å; V226-F422 HydrophobicContact CG2-CZ 3.71Å; L231-F422 HydrophobicContact CD1-CE2 3.54Å; L231-F422 HydrophobicContact CD1-CZ 3.46Å; L231-F422 VanDerWaalsContact CD1-CZ 3.46Å; F233-F422 AromaticContact CZ-CE2 3.99Å; F233-F422 HydrophobicContact CZ-CE2 3.99Å; I418-F422 WeakPolarHBondContact O-CB 3.29Å; I418-F422 PolarHBondContact O-N 3.44Å; E419-F422 PolarHBondContact O-N 2.93Å; T420-F422 VanDerWaalsContact C-N 3.35Å; F422-A424 VanDerWaalsContact C-N 3.33Å; F422-A424 PolarHBondContact O-N 3.26Å; F422-M425 HydrophobicContact CD2-CE 3.57Å; F422-M425 HydrophobicContact CE2-CE 3.64Å; F422-M425 WeakPolarHBondContact O-CB 3.15Å; F422-M425 PolarHBondContact O-N 3.03Å; F422-M425 VanDerWaalsContact O-N 3.11Å; F422-Q426 HydrophobicContact CD1-CG 4.39Å; F422-Q426 HydrophobicContact CE1-CG 3.99Å; F422-Q426 HydrophobicContact CE2-CG 4.13Å; F422-Q426 HydrophobicContact CZ-CG 3.86Å; F422-Q426 WeakPolarHBondContact O-CG 3.46Å; F422-Q426 PolarHBondContact O-N 3.04Å
423	N	86.5	Confident	84.8	Confident	84 Å²	84	52.3 Å²	52.3	45%	0.449	26%	0.261	S	S	.	.	H	α-helix	trans	-59	-44.5	174.9	-68.2	-19.4	0	0	0	111.4	E419 T420 M425 Q426 D427	E419-N423 VanDerWaalsContact O-CG 3.23Å; E419-N423 PolarHBondContact O-N 3.32Å; E419-N423 PolarHBondContact O-ND2 3.21Å; T420-N423 PolarHBondContact O-N 3.06Å; N423-M425 VanDerWaalsContact C-N 3.31Å; N423-M425 PolarHBondContact O-N 2.99Å; N423-Q426 PolarHBondContact O-N 3.29Å; N423-D427 PolarHBondContact O-N 3.45Å
424	A	85.2	Confident	83.1	Confident	37 Å²	37	55.7 Å²	55.7	31%	0.306	28%	0.278	S	S	.	.	H	α-helix	trans	-64.4	-34.3	175.5	0	0	0	0	0	113.2	T420 V421 F422 T428	T420-A424 PolarHBondContact O-N 2.62Å; V421-A424 PolarHBondContact O-N 3.38Å; F422-A424 VanDerWaalsContact C-N 3.33Å; F422-A424 PolarHBondContact O-N 3.26Å; A424-T428 PolarHBondContact O-N 2.77Å; A424-T428 PolarHBondContact O-OG1 3.37Å; A424-T428 VanDerWaalsContact O-OG1 3.11Å
425	M	85.2	Confident	81.6	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-67.8	-39.9	175	-172.2	-168.6	75.6	0	0	111.4	I51 F233 L257 I303 F305 V421 F422 N423 D427 T428 V429	I51-M425 HydrophobicContact CD1-CE 3.77Å; F233-M425 HydrophobicContact CE1-CE 4.38Å; F233-M425 HydrophobicContact CZ-CE 4.26Å; L257-M425 HydrophobicContact CD2-SD 4.19Å; I303-M425 HydrophobicContact CD1-CG 3.57Å; I303-M425 HydrophobicContact CD1-SD 3.99Å; I303-M425 HydrophobicContact CG1-CG 4.42Å; F305-M425 HydrophobicContact CZ-SD 4.31Å; V421-M425 WeakPolarHBondContact O-CB 3.4Å; V421-M425 PolarHBondContact O-N 2.89Å; F422-M425 HydrophobicContact CD2-CE 3.57Å; F422-M425 HydrophobicContact CE2-CE 3.64Å; F422-M425 WeakPolarHBondContact O-CB 3.15Å; F422-M425 PolarHBondContact O-N 3.03Å; F422-M425 VanDerWaalsContact O-N 3.11Å; N423-M425 VanDerWaalsContact C-N 3.31Å; N423-M425 PolarHBondContact O-N 2.99Å; M425-D427 PolarHBondContact O-N 3.2Å; M425-T428 WeakPolarHBondContact O-CB 3.47Å; M425-T428 PolarHBondContact O-N 3.12Å; M425-V429 HydrophobicContact CG-CG2 4.22Å; M425-V429 VanDerWaalsContact O-CG2 3.32Å; M425-V429 WeakPolarHBondContact O-CG2 3.39Å; M425-V429 PolarHBondContact O-N 2.5Å
426	Q	80.1	Confident	80.1	Confident	23 Å²	23	56.7 Å²	56.7	11%	0.107	28%	0.276	C	S	.	.	H	α-helix	trans	-60	-47.5	178	-73.6	-169.3	-28.4	0	0	111.7	V226 L231 F422 N423 T428 V429 L430	V226-Q426 VanDerWaalsContact CB-NE2 3.26Å; L231-Q426 HydrophobicContact CD1-CG 4.43Å; F422-Q426 HydrophobicContact CD1-CG 4.39Å; F422-Q426 HydrophobicContact CE1-CG 3.99Å; F422-Q426 HydrophobicContact CE2-CG 4.13Å; F422-Q426 HydrophobicContact CZ-CG 3.86Å; F422-Q426 WeakPolarHBondContact O-CG 3.46Å; F422-Q426 PolarHBondContact O-N 3.04Å; N423-Q426 PolarHBondContact O-N 3.29Å; Q426-T428 PolarHBondContact O-N 2.86Å; Q426-V429 PolarHBondContact O-N 3.37Å; Q426-L430 VanDerWaalsContact O-CB 3.28Å; Q426-L430 WeakPolarHBondContact O-CB 3.41Å; Q426-L430 VanDerWaalsContact O-CG 3.22Å; Q426-L430 WeakPolarHBondContact O-CG 3.37Å; Q426-L430 PolarHBondContact O-N 3.31Å
427	D	77.6	Confident	78.3	Confident	97 Å²	97	52.8 Å²	52.8	52%	0.519	27%	0.269	S	S	.	.	H	α-helix	trans	-56.1	-42.6	176.6	-68.9	-23.1	0	0	0	111.2	N423 M425 Q431	N423-D427 PolarHBondContact O-N 3.45Å; M425-D427 PolarHBondContact O-N 3.2Å; D427-Q431 VanDerWaalsContact O-CB 3.26Å; D427-Q431 WeakPolarHBondContact O-CB 3.35Å; D427-Q431 WeakPolarHBondContact O-CG 3.32Å; D427-Q431 PolarHBondContact O-N 3.23Å
428	T	77.8	Confident	75.9	Confident	16 Å²	16	58.7 Å²	58.7	10%	0.098	30%	0.297	C	S	.	.	H	α-helix	trans	-63.6	-46.7	177.6	-68.5	0	0	0	0	113	Y406 A424 M425 Q426 N432	Y406-T428 HydrophobicContact CD1-CG2 3.53Å; Y406-T428 HydrophobicContact CD2-CG2 3.39Å; Y406-T428 HydrophobicContact CE1-CG2 3.46Å; Y406-T428 VanDerWaalsContact CE1-CG2 3.46Å; Y406-T428 HydrophobicContact CE2-CG2 3.34Å; Y406-T428 HydrophobicContact CG-CG2 3.48Å; Y406-T428 VanDerWaalsContact CG-CG2 3.48Å; A424-T428 PolarHBondContact O-N 2.77Å; A424-T428 PolarHBondContact O-OG1 3.37Å; A424-T428 VanDerWaalsContact O-OG1 3.11Å; M425-T428 WeakPolarHBondContact O-CB 3.47Å; M425-T428 PolarHBondContact O-N 3.12Å; Q426-T428 PolarHBondContact O-N 2.86Å; T428-N432 PolarHBondContact O-N 2.84Å; T428-N432 PolarHBondContact O-ND2 3.4Å
429	V	75.5	Confident	73.8	Confident	4 Å²	4	63.7 Å²	63.7	2%	0.024	32%	0.322	C	S	.	.	H	α-helix	trans	-69.1	-45.2	-178.6	173.2	0	0	0	0	110	T254 I303 M425 Q426 N432 N433	T254-V429 HydrophobicContact CG2-CG1 3.91Å; I303-V429 HydrophobicContact CD1-CG2 3.94Å; M425-V429 HydrophobicContact CG-CG2 4.22Å; M425-V429 VanDerWaalsContact O-CG2 3.32Å; M425-V429 WeakPolarHBondContact O-CG2 3.39Å; M425-V429 PolarHBondContact O-N 2.5Å; Q426-V429 PolarHBondContact O-N 3.37Å; V429-N432 PolarHBondContact O-N 2.99Å; V429-N433 PolarHBondContact O-N 3.1Å; V429-N433 PolarHBondContact O-ND2 3.37Å; V429-N433 VanDerWaalsContact O-ND2 3.12Å
430	L	71	Confident	71.3	Confident	71 Å²	71	67.6 Å²	67.6	37%	0.372	36%	0.356	S	S	.	.	H	α-helix	trans	-61.1	-46.3	177.8	-70.7	170.5	0	0	0	111.7	Q426 N432 N433 L434	Q426-L430 VanDerWaalsContact O-CB 3.28Å; Q426-L430 WeakPolarHBondContact O-CB 3.41Å; Q426-L430 VanDerWaalsContact O-CG 3.22Å; Q426-L430 WeakPolarHBondContact O-CG 3.37Å; Q426-L430 PolarHBondContact O-N 3.31Å; L430-N432 VanDerWaalsContact C-N 3.29Å; L430-N432 PolarHBondContact O-N 2.89Å; L430-N433 PolarHBondContact O-N 3.33Å; L430-L434 WeakPolarHBondContact O-CG 3.13Å; L430-L434 PolarHBondContact O-N 3.12Å
431	Q	71.1	Confident	70.3	Confident	99 Å²	99	66.2 Å²	66.2	46%	0.463	34%	0.344	S	S	.	.	H	α-helix	trans	-59.6	-39.7	176.4	-76.2	174.5	18.4	0	0	112.3	D427 R435	D427-Q431 VanDerWaalsContact O-CB 3.26Å; D427-Q431 WeakPolarHBondContact O-CB 3.35Å; D427-Q431 WeakPolarHBondContact O-CG 3.32Å; D427-Q431 PolarHBondContact O-N 3.23Å; Q431-R435 WeakPolarHBondContact O-CB 3.5Å; Q431-R435 VanDerWaalsContact O-CG 3.29Å; Q431-R435 WeakPolarHBondContact O-CG 3.47Å; Q431-R435 PolarHBondContact O-N 3.42Å
432	N	70.3	Confident	69.2	Low	21 Å²	21	69.1 Å²	69.1	11%	0.112	36%	0.359	C	S	.	.	H	α-helix	trans	-71.6	-35	178.7	-76.7	-43.6	0	0	0	112.8	S301 Y406 T428 V429 L430 R435 R436	S301-N432 VanDerWaalsContact OG-CB 3.3Å; S301-N432 WeakPolarHBondContact OG-CB 3.34Å; S301-N432 PolarHBondContact OG-ND2 2.93Å; Y406-N432 PolarHBondContact OH-ND2 3.41Å; T428-N432 PolarHBondContact O-N 2.84Å; T428-N432 PolarHBondContact O-ND2 3.4Å; V429-N432 PolarHBondContact O-N 2.99Å; L430-N432 VanDerWaalsContact C-N 3.29Å; L430-N432 PolarHBondContact O-N 2.89Å; N432-R435 PolarHBondContact O-N 3.25Å; N432-R436 WeakPolarHBondContact O-CG 3.4Å; N432-R436 PolarHBondContact O-N 3.43Å
433	N	65.8	Low	68.2	Low	18 Å²	18	72.7 Å²	72.7	10%	0.096	38%	0.378	C	S	.	.	H	α-helix	trans	-66.5	-45.5	173.4	-73.8	-36.9	0	0	0	112.4	Q49 T254 V429 L430 R435 R436 I437	Q49-N433 PolarHBondContact NE2-ND2 3.09Å; Q49-N433 VanDerWaalsContact OE1-CG 3.23Å; Q49-N433 PolarHBondContact OE1-ND2 3.12Å; Q49-N433 PolarHBondContact OE1-OD1 3.29Å; T254-N433 WeakPolarHBondContact CG2-OD1 3.32Å; V429-N433 PolarHBondContact O-N 3.1Å; V429-N433 PolarHBondContact O-ND2 3.37Å; V429-N433 VanDerWaalsContact O-ND2 3.12Å; L430-N433 PolarHBondContact O-N 3.33Å; N433-R435 VanDerWaalsContact C-N 3.26Å; N433-R435 PolarHBondContact O-N 2.94Å; N433-R436 PolarHBondContact O-N 3.44Å; N433-R436 VanDerWaalsContact O-N 3.12Å; N433-I437 VanDerWaalsContact O-CG1 3.31Å; N433-I437 WeakPolarHBondContact O-CG1 3.18Å; N433-I437 PolarHBondContact O-N 2.66Å
434	L	60.6	Low	67.1	Low	108 Å²	108	72.1 Å²	72.1	57%	0.565	37%	0.374	S	S	*	.	H	α-helix	trans	-57.4	-44.3	174.1	-70.3	172.1	0	0	0	110.4	L430 R436 I437 M438	L430-L434 WeakPolarHBondContact O-CG 3.13Å; L430-L434 PolarHBondContact O-N 3.12Å; L434-R436 PolarHBondContact O-N 3.45Å; L434-I437 PolarHBondContact O-N 2.85Å; L434-M438 WeakPolarHBondContact O-CB 3.4Å; L434-M438 VanDerWaalsContact O-CG 3.25Å; L434-M438 WeakPolarHBondContact O-CG 3.48Å; L434-M438 PolarHBondContact O-N 3.28Å
435	R	63.1	Low	65.9	Low	114 Å²	114	74.3 Å²	74.3	43%	0.43	38%	0.378	S	S	.	.	H	α-helix	trans	-61.4	-41.6	174.2	-79.5	178	-171.3	174.1	3.2	113.2	Q431 N432 N433 M438 M439	Q431-R435 WeakPolarHBondContact O-CB 3.5Å; Q431-R435 VanDerWaalsContact O-CG 3.29Å; Q431-R435 WeakPolarHBondContact O-CG 3.47Å; Q431-R435 PolarHBondContact O-N 3.42Å; N432-R435 PolarHBondContact O-N 3.25Å; N433-R435 VanDerWaalsContact C-N 3.26Å; N433-R435 PolarHBondContact O-N 2.94Å; R435-M438 PolarHBondContact O-N 2.81Å; R435-M439 HydrophobicContact CB-CE 3.67Å; R435-M439 HydrophobicContact CG-CE 4.36Å; R435-M439 VanDerWaalsContact O-CB 3.32Å; R435-M439 WeakPolarHBondContact O-CB 3.39Å; R435-M439 WeakPolarHBondContact O-CE 3.41Å; R435-M439 VanDerWaalsContact O-CG 3.29Å; R435-M439 WeakPolarHBondContact O-CG 3.03Å; R435-M439 PolarHBondContact O-N 2.65Å; R435-M439 VanDerWaalsContact O-N 3.14Å
436	R	63.2	Low	64.7	Low	85 Å²	85	79.1 Å²	79.1	32%	0.321	40%	0.403	S	S	.	.	H	α-helix	trans	-63.3	-45.9	176.4	-81.6	-174.1	-177.6	179.1	6.7	111.3	T254 R299 V300 N432 N433 L434 M438 M439 S440	T254-R436 PolarHBondContact O-NH2 3.3Å; R299-R436 VanDerWaalsContact C-NH2 3.31Å; R299-R436 PolarHBondContact O-NE 3.43Å; R299-R436 PolarHBondContact O-NH2 3.3Å; V300-R436 VanDerWaalsContact CA-NH2 3.26Å; N432-R436 WeakPolarHBondContact O-CG 3.4Å; N432-R436 PolarHBondContact O-N 3.43Å; N433-R436 PolarHBondContact O-N 3.44Å; N433-R436 VanDerWaalsContact O-N 3.12Å; L434-R436 PolarHBondContact O-N 3.45Å; R436-M438 VanDerWaalsContact C-N 3.34Å; R436-M439 CarbonylContact O-C 3.56Å; R436-M439 PolarHBondContact O-N 3.41Å; R436-S440 WeakPolarHBondContact O-CB 3.42Å; R436-S440 PolarHBondContact O-N 3.2Å; R436-S440 PolarHBondContact O-OG 3.42Å
437	I	57.2	Low	63.6	Low	118 Å²	118	83.1 Å²	83.1	61%	0.605	42%	0.424	S	S	*	.	H	α-helix	trans	-64.6	-39.5	179.3	-65.2	165	0	0	0	110.8	N433 L434 M439 S440	N433-I437 VanDerWaalsContact O-CG1 3.31Å; N433-I437 WeakPolarHBondContact O-CG1 3.18Å; N433-I437 PolarHBondContact O-N 2.66Å; L434-I437 PolarHBondContact O-N 2.85Å; I437-M439 PolarHBondContact O-N 3.13Å; I437-S440 PolarHBondContact O-OG 3.43Å
438	M	47	Very low	62.5	Low	163 Å²	163	82.1 Å²	82.1	80%	0.803	42%	0.417	S	S	*	.	H	α-helix	trans	-71.6	-16.6	177	-71.1	-178.6	74.9	0	0	113.7	L434 R435 R436	L434-M438 WeakPolarHBondContact O-CB 3.4Å; L434-M438 VanDerWaalsContact O-CG 3.25Å; L434-M438 WeakPolarHBondContact O-CG 3.48Å; L434-M438 PolarHBondContact O-N 3.28Å; R435-M438 PolarHBondContact O-N 2.81Å; R436-M438 VanDerWaalsContact C-N 3.34Å
439	M	48.8	Very low	61.2	Low	105 Å²	105	87.6 Å²	87.6	52%	0.517	44%	0.444	S	S	.	.	H	α-helix	trans	-112.5	-1.1	-177.2	-69.4	-170.5	-85.8	0	0	114	R401 R435 R436 I437	R401-M439 PolarHBondContact NH1-SD 3.38Å; R401-M439 PolarHBondContact NH2-SD 3.01Å; R401-M439 VanDerWaalsContact NH2-SD 3.36Å; R435-M439 HydrophobicContact CB-CE 3.67Å; R435-M439 HydrophobicContact CG-CE 4.36Å; R435-M439 VanDerWaalsContact O-CB 3.32Å; R435-M439 WeakPolarHBondContact O-CB 3.39Å; R435-M439 WeakPolarHBondContact O-CE 3.41Å; R435-M439 VanDerWaalsContact O-CG 3.29Å; R435-M439 WeakPolarHBondContact O-CG 3.03Å; R435-M439 PolarHBondContact O-N 2.65Å; R435-M439 VanDerWaalsContact O-N 3.14Å; R436-M439 CarbonylContact O-C 3.56Å; R436-M439 PolarHBondContact O-N 3.41Å; I437-M439 PolarHBondContact O-N 3.13Å
440	S	41	Very low	59.9	Low	145 Å²	145	95.2 Å²	95.2	100%	1.014	48%	0.482	S	S	*	.			trans	-101.9	0	170.8	65	0	0	0	0	109.8	R436 I437	R436-S440 WeakPolarHBondContact O-CB 3.42Å; R436-S440 PolarHBondContact O-N 3.2Å; R436-S440 PolarHBondContact O-OG 3.42Å; I437-S440 PolarHBondContact O-OG 3.43Å

Retrieved 440 of 440 residues in 299.8 ms (Link to these results)

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