A0A060XIF0_ONCMY Loading...

S-adenosylmethionine sensor upstream of mTORC1

S-adenosyl-L-methionine-binding protein that acts as an inhibitor of mTORC1 signaling via interaction with the GATOR1 and KICSTOR complexes. Acts as a sensor of S-adenosyl-L-methionine to signal methionine sufficiency to mTORC1: in presence of methionine, binds S-adenosyl-L-methionine, leading to disrupt interaction with the GATOR1 and KICSTOR complexes and promote mTORC1 signaling. Upon methionine starvation, S-adenosyl-L-methionine levels are reduced, thereby promoting the association with GATOR1 and KICSTOR, leading to inhibit mTORC1 signaling. Probably also acts as a S-adenosyl-L-methionine-dependent methyltransferase.

AlphaFold DB , UniProt , Accession A0A060XIF0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene samtor, Length 394 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.9	Very low	34.9	Very low	247 Å²	247	146.4 Å²	146.4	100%	1.217	84%	0.837	S	S	*	*				0	107.8	0	-83.3	-169	172.8	0	0	106.2
2	D	33.1	Very low	34.6	Very low	158 Å²	158	145.8 Å²	145.8	85%	0.845	84%	0.839	S	S	*	*			trans	-75.5	175	172.8	-75.8	-36.7	0	0	0	110.7
3	P	54.2	Low	34.5	Very low	114 Å²	114	148.8 Å²	148.8	74%	0.74	84%	0.841	S	S	*	*			cis	-140.3	177.1	-34.7	33.2	-15.2	0	0	0	112.1
4	V	32.1	Very low	34.4	Very low	127 Å²	127	147.6 Å²	147.6	77%	0.77	84%	0.839	S	S	*	*			trans	-136.7	122.5	161.5	173.7	0	0	0	0	110.2
5	N	34.5	Very low	34.4	Very low	136 Å²	136	150.1 Å²	150.1	73%	0.727	84%	0.84	S	S	*	*			trans	62	115	146.2	-63.6	-14	0	0	0	124
6	N	33.2	Very low	34.5	Very low	158 Å²	158	150.9 Å²	150.9	85%	0.845	84%	0.841	S	S	*	*				30.6	125	115.7	-66.2	-3.9	0	0	0	120.7
7	A	31.2	Very low	34.5	Very low	96 Å²	96	152.5 Å²	152.5	79%	0.793	84%	0.841	S	S	*	*				-176.3	125.6	110.5	0	0	0	0	0	113.2
8	E	32.5	Very low	34.5	Very low	177 Å²	177	149.2 Å²	149.2	83%	0.827	83%	0.827	S	S	*	*			trans	32.8	133.9	142	-76.7	177.4	163	0	0	126
9	T	34.4	Very low	34.4	Very low	139 Å²	139	147.5 Å²	147.5	85%	0.853	83%	0.825	S	S	*	*			trans	76	123.6	138.8	52.4	0	0	0	0	121.1
10	G	27	Very low	34.7	Very low	69 Å²	69	149.9 Å²	149.9	71%	0.711	82%	0.823	S	S	*	*			trans	156.4	96.6	162.9	0	0	0	0	0	113.6
11	E	38.6	Very low	35	Very low	189 Å²	189	148.7 Å²	148.7	88%	0.883	82%	0.819	S	S	*	*			trans	36.9	119.4	142	-61.8	171.8	175.9	0	0	119.6
12	T	31.8	Very low	35.6	Very low	140 Å²	140	144.4 Å²	144.4	86%	0.859	80%	0.801	S	S	*	*			trans	-135.5	102.4	144.2	20.2	0	0	0	0	108.8	T14	T12-T14 PolarHBondContact O-N 3.16Å; T12-T14 VanDerWaalsContact O-N 3.16Å
13	E	32.4	Very low	36.3	Very low	185 Å²	185	142.4 Å²	142.4	86%	0.864	79%	0.789	S	S	*	*			trans	-51.7	112.3	160.2	-67.2	176.6	142.5	0	0	108.1	E15	E13-E15 PolarHBondContact O-N 3.03Å
14	T	34.2	Very low	36.8	Very low	132 Å²	132	141 Å²	141	81%	0.81	78%	0.779	S	S	*	*			trans	-69.1	98	163.6	25.6	0	0	0	0	107.9	T12 L16	T12-T14 PolarHBondContact O-N 3.16Å; T12-T14 VanDerWaalsContact O-N 3.16Å; T14-L16 PolarHBondContact O-N 3.14Å
15	E	33.7	Very low	38.2	Very low	184 Å²	184	144.2 Å²	144.2	86%	0.86	78%	0.783	S	S	*	*			trans	-51.1	103.5	160.8	-80.2	-176.9	141.7	0	0	108.6	E13 E17	E13-E15 PolarHBondContact O-N 3.03Å; E15-E17 PolarHBondContact O-N 2.96Å; E15-E17 VanDerWaalsContact O-N 3.14Å
16	L	37	Very low	39.5	Very low	164 Å²	164	143.8 Å²	143.8	86%	0.859	78%	0.777	S	S	*	*			trans	-72.2	98.9	163.6	-81.8	159.5	0	0	0	106.8	T14	T14-L16 PolarHBondContact O-N 3.14Å
17	E	33.4	Very low	40.9	Very low	178 Å²	178	140 Å²	140	83%	0.832	76%	0.759	S	S	*	*			trans	-51.5	129.7	166.9	-82.9	-159.1	153.1	0	0	109.2	E15 C19	E15-E17 PolarHBondContact O-N 2.96Å; E15-E17 VanDerWaalsContact O-N 3.14Å; E17-C19 PolarHBondContact O-N 2.86Å
18	P	35.6	Very low	42.5	Very low	92 Å²	92	143 Å²	143	60%	0.597	75%	0.75	S	S	*	*			trans	-65.8	115.8	174.5	1	8.8	0	0	0	108.1	Y20	P18-Y20 VanDerWaalsContact C-N 3.26Å; P18-Y20 HydrophobicContact CB-CE2 4.44Å; P18-Y20 HydrophobicContact CG-CE2 4.34Å; P18-Y20 VanDerWaalsContact O-CD2 3.3Å; P18-Y20 WeakPolarHBondContact O-CD2 3.3Å; P18-Y20 PolarHBondContact O-N 3.06Å
19	C	32.5	Very low	44.2	Very low	117 Å²	117	138.5 Å²	138.5	79%	0.791	74%	0.737	S	S	*	*			trans	-60.8	90.4	169.8	-178.1	0	0	0	0	108.7	E17 V21	E17-C19 PolarHBondContact O-N 2.86Å; C19-V21 VanDerWaalsContact C-N 3.34Å; C19-V21 PolarHBondContact O-N 2.92Å
20	Y	39.3	Very low	46	Very low	196 Å²	196	136.6 Å²	136.6	77%	0.769	72%	0.717	S	S	*	*			trans	-63.7	97.7	171.6	-80.8	-83.8	0	0	0	108.1	P18 L22	P18-Y20 VanDerWaalsContact C-N 3.26Å; P18-Y20 HydrophobicContact CB-CE2 4.44Å; P18-Y20 HydrophobicContact CG-CE2 4.34Å; P18-Y20 VanDerWaalsContact O-CD2 3.3Å; P18-Y20 WeakPolarHBondContact O-CD2 3.3Å; P18-Y20 PolarHBondContact O-N 3.06Å; Y20-L22 VanDerWaalsContact C-N 3.33Å; Y20-L22 PolarHBondContact O-N 2.77Å
21	V	42.3	Very low	48.5	Very low	124 Å²	124	139.4 Å²	139.4	75%	0.752	71%	0.71	S	S	*	*			trans	-60.8	99.4	168.2	-179.4	0	0	0	0	107	C19 I23	C19-V21 VanDerWaalsContact C-N 3.34Å; C19-V21 PolarHBondContact O-N 2.92Å; V21-I23 PolarHBondContact O-N 2.88Å
22	L	44.4	Very low	50.5	Low	158 Å²	158	136.1 Å²	136.1	83%	0.827	69%	0.692	S	S	*	*			trans	-66.8	97.2	176.6	-76.4	169.4	0	0	0	108.5	Y20 P24	Y20-L22 VanDerWaalsContact C-N 3.33Å; Y20-L22 PolarHBondContact O-N 2.77Å; L22-P24 WeakPolarHBondContact O-CD 3.41Å
23	I	48.9	Very low	53.1	Low	116 Å²	116	133.8 Å²	133.8	60%	0.595	67%	0.672	S	S	*	*			trans	-56.9	123.5	170.8	-60.2	174.6	0	0	0	107.7	V21 K25 T27	V21-I23 PolarHBondContact O-N 2.88Å; I23-K25 PolarHBondContact O-N 3.06Å; I23-T27 HydrophobicContact CG2-CG2 4.03Å
24	P	64.5	Low	55.6	Low	83 Å²	83	129 Å²	129	54%	0.539	65%	0.65	S	S	.	*			trans	-52.4	138.4	-178.9	-27.5	34.2	0	0	0	111.9	L22 E26 T27 R28	L22-P24 WeakPolarHBondContact O-CD 3.41Å; P24-E26 PolarHBondContact O-N 3.45Å; P24-T27 WeakPolarHBondContact O-CB 3.46Å; P24-T27 PolarHBondContact O-N 3.25Å; P24-R28 PolarHBondContact O-N 2.98Å; P24-R28 VanDerWaalsContact O-N 3.15Å
25	K	60.9	Low	58.1	Low	195 Å²	195	127.6 Å²	127.6	85%	0.848	63%	0.634	S	S	*	*	H	α-helix	trans	-51.8	-34.5	-177.8	-76	-178.9	177.3	176.5	0	112.9	I23 R28 C29	I23-K25 PolarHBondContact O-N 3.06Å; K25-R28 PolarHBondContact O-N 3.43Å; K25-C29 PolarHBondContact O-N 3.04Å
26	E	61.4	Low	60.8	Low	127 Å²	127	126.5 Å²	126.5	59%	0.593	63%	0.626	S	S	*	*	H	α-helix	trans	-67	-42.8	178.4	-161.1	-175.5	151.2	0	0	112.5	P24 R28 C29 K30	P24-E26 PolarHBondContact O-N 3.45Å; E26-R28 VanDerWaalsContact C-N 3.33Å; E26-R28 PolarHBondContact O-N 3.15Å; E26-C29 PolarHBondContact O-N 2.74Å; E26-K30 WeakPolarHBondContact O-CG 3.48Å; E26-K30 PolarHBondContact O-N 3.48Å; E26-K30 WeakPolarHBondContact OE1-CE 3.48Å; E26-K30 IonicContact OE1-NZ 2.74Å; E26-K30 PolarHBondContact OE1-NZ 3.22Å
27	T	62	Low	63.4	Low	78 Å²	78	119.7 Å²	119.7	48%	0.479	59%	0.591	S	S	.	*	H	α-helix	trans	-64.3	-39.2	175.7	-47.1	0	0	0	0	111.2	I23 P24 K31	I23-T27 HydrophobicContact CG2-CG2 4.03Å; P24-T27 WeakPolarHBondContact O-CB 3.46Å; P24-T27 PolarHBondContact O-N 3.25Å; T27-K31 WeakPolarHBondContact O-CB 3.49Å; T27-K31 PolarHBondContact O-N 3Å
28	R	66.1	Low	66	Low	160 Å²	160	112.7 Å²	112.7	60%	0.604	56%	0.561	S	S	*	*	H	α-helix	trans	-65.6	-37	175.3	-169.7	178.9	-176.9	-168.7	1.5	112.4	P24 K25 E26 K32	P24-R28 PolarHBondContact O-N 2.98Å; P24-R28 VanDerWaalsContact O-N 3.15Å; K25-R28 PolarHBondContact O-N 3.43Å; E26-R28 VanDerWaalsContact C-N 3.33Å; E26-R28 PolarHBondContact O-N 3.15Å; R28-K32 WeakPolarHBondContact O-CG 3.43Å; R28-K32 PolarHBondContact O-N 3.06Å
29	C	68.6	Low	68.6	Low	83 Å²	83	109.9 Å²	109.9	56%	0.561	55%	0.549	S	S	*	.	H	α-helix	trans	-67	-47.6	177.6	-161.4	0	0	0	0	111.3	K25 E26 K31 K32 E33	K25-C29 PolarHBondContact O-N 3.04Å; E26-C29 PolarHBondContact O-N 2.74Å; C29-K31 VanDerWaalsContact C-N 3.32Å; C29-K31 PolarHBondContact O-N 3.23Å; C29-K32 PolarHBondContact O-N 3.05Å; C29-E33 PolarHBondContact O-N 3.39Å
30	K	72.4	Confident	71.5	Confident	98 Å²	98	106.4 Å²	106.4	43%	0.426	52%	0.524	S	S	.	.	H	α-helix	trans	-59.6	-40.7	176.5	-70.9	174.8	-175.4	163.5	0	112.3	E26 E33 Q34 H86	E26-K30 WeakPolarHBondContact O-CG 3.48Å; E26-K30 PolarHBondContact O-N 3.48Å; E26-K30 WeakPolarHBondContact OE1-CE 3.48Å; E26-K30 IonicContact OE1-NZ 2.74Å; E26-K30 PolarHBondContact OE1-NZ 3.22Å; K30-E33 PolarHBondContact O-N 3.03Å; K30-Q34 WeakPolarHBondContact O-CB 3.23Å; K30-Q34 PolarHBondContact O-N 3.22Å; K30-H86 PolarHBondContact O-CE1 3.47Å; K30-H86 VanDerWaalsContact O-CE1 3.31Å
31	K	77.6	Confident	74	Confident	128 Å²	128	97.9 Å²	97.9	56%	0.557	49%	0.492	S	S	*	.	H	α-helix	trans	-62.1	-44.8	176.3	-174.8	172.7	178.7	176	0	112.3	T27 C29 E33 Q34 E35	T27-K31 WeakPolarHBondContact O-CB 3.49Å; T27-K31 PolarHBondContact O-N 3Å; C29-K31 VanDerWaalsContact C-N 3.32Å; C29-K31 PolarHBondContact O-N 3.23Å; K31-E33 VanDerWaalsContact C-N 3.33Å; K31-E33 PolarHBondContact O-N 3.27Å; K31-Q34 WeakPolarHBondContact O-CB 3.5Å; K31-Q34 PolarHBondContact O-N 3.03Å; K31-E35 WeakPolarHBondContact CE-OE1 3.2Å; K31-E35 VanDerWaalsContact O-CG 3.31Å; K31-E35 WeakPolarHBondContact O-CG 3.45Å; K31-E35 PolarHBondContact O-N 3.37Å
32	K	82.6	Confident	76.2	Confident	120 Å²	120	98.1 Å²	98.1	52%	0.522	48%	0.483	S	S	.	.	H	α-helix	trans	-63.6	-38.3	176.7	-74.3	-177.3	174.7	-167.6	0	112.8	R28 C29 K36	R28-K32 WeakPolarHBondContact O-CG 3.43Å; R28-K32 PolarHBondContact O-N 3.06Å; C29-K32 PolarHBondContact O-N 3.05Å; K32-K36 WeakPolarHBondContact O-CB 3.44Å; K32-K36 PolarHBondContact O-N 3.15Å
33	E	85.8	Confident	78.5	Confident	92 Å²	92	94 Å²	94	43%	0.43	46%	0.462	S	S	.	.	H	α-helix	trans	-65.4	-46.9	175.8	-175.8	172.9	-162.3	0	0	111.2	C29 K30 K31 E35 K36 L37	C29-E33 PolarHBondContact O-N 3.39Å; K30-E33 PolarHBondContact O-N 3.03Å; K31-E33 VanDerWaalsContact C-N 3.33Å; K31-E33 PolarHBondContact O-N 3.27Å; E33-E35 VanDerWaalsContact C-N 3.32Å; E33-E35 PolarHBondContact O-N 3.28Å; E33-K36 WeakPolarHBondContact O-CB 3.4Å; E33-K36 PolarHBondContact O-N 3.36Å; E33-L37 HydrophobicContact CG-CD1 4.05Å; E33-L37 HydrophobicContact CG-CG 4.41Å; E33-L37 VanDerWaalsContact O-CG 3.3Å; E33-L37 WeakPolarHBondContact O-CG 3.46Å; E33-L37 PolarHBondContact O-N 2.95Å
34	Q	84.8	Confident	80.7	Confident	84 Å²	84	89 Å²	89	39%	0.393	44%	0.437	S	S	.	.	H	α-helix	trans	-55.3	-47.5	174	-168.8	176.2	-17	0	0	112	K30 K31 K36 L37 S38 L82 H86	K30-Q34 WeakPolarHBondContact O-CB 3.23Å; K30-Q34 PolarHBondContact O-N 3.22Å; K31-Q34 WeakPolarHBondContact O-CB 3.5Å; K31-Q34 PolarHBondContact O-N 3.03Å; Q34-K36 PolarHBondContact O-N 3.35Å; Q34-L37 PolarHBondContact O-N 3.41Å; Q34-S38 VanDerWaalsContact O-CB 3.27Å; Q34-S38 WeakPolarHBondContact O-CB 3.48Å; Q34-S38 PolarHBondContact O-N 2.82Å; Q34-S38 PolarHBondContact O-OG 3.31Å; Q34-L82 HydrophobicContact CG-CD2 4.09Å; Q34-H86 VanDerWaalsContact CB-CE1 3.5Å; Q34-H86 WeakPolarHBondContact CB-CE1 3.27Å; Q34-H86 HydrophobicContact CG-CB 4.31Å; Q34-H86 PolarHBondContact OE1-ND1 2.85Å
35	E	87.1	Confident	82	Confident	102 Å²	102	86.2 Å²	86.2	48%	0.477	42%	0.417	S	S	.	.	H	α-helix	trans	-58.5	-48	177.6	-75.6	165.9	-177	0	0	110.7	K31 E33 S38 G39	K31-E35 WeakPolarHBondContact CE-OE1 3.2Å; K31-E35 VanDerWaalsContact O-CG 3.31Å; K31-E35 WeakPolarHBondContact O-CG 3.45Å; K31-E35 PolarHBondContact O-N 3.37Å; E33-E35 VanDerWaalsContact C-N 3.32Å; E33-E35 PolarHBondContact O-N 3.28Å; E35-S38 PolarHBondContact O-N 2.8Å; E35-S38 PolarHBondContact O-OG 3.22Å; E35-G39 PolarHBondContact O-N 2.94Å
36	K	90.5	Very high	83.4	Confident	161 Å²	161	79 Å²	79	70%	0.7	38%	0.384	S	S	*	.	H	α-helix	trans	-59.2	-50.3	177.6	-175.1	-175.7	177.8	-172.9	0	112.2	K32 E33 Q34 G39 V40	K32-K36 WeakPolarHBondContact O-CB 3.44Å; K32-K36 PolarHBondContact O-N 3.15Å; E33-K36 WeakPolarHBondContact O-CB 3.4Å; E33-K36 PolarHBondContact O-N 3.36Å; Q34-K36 PolarHBondContact O-N 3.35Å; K36-G39 PolarHBondContact O-N 3.46Å; K36-V40 PolarHBondContact O-N 2.99Å; K36-V40 VanDerWaalsContact O-N 3.14Å
37	L	90.6	Very high	84.9	Confident	22 Å²	22	77.4 Å²	77.4	12%	0.115	38%	0.375	C	S	.	.	H	α-helix	trans	-63.9	-43.2	-179.5	-62.9	170.4	0	0	0	111.1	E33 Q34 G39 V40 V41 A78 N81 L82	E33-L37 HydrophobicContact CG-CD1 4.05Å; E33-L37 HydrophobicContact CG-CG 4.41Å; E33-L37 VanDerWaalsContact O-CG 3.3Å; E33-L37 WeakPolarHBondContact O-CG 3.46Å; E33-L37 PolarHBondContact O-N 2.95Å; Q34-L37 PolarHBondContact O-N 3.41Å; L37-G39 VanDerWaalsContact C-N 3.26Å; L37-G39 PolarHBondContact O-N 2.91Å; L37-V40 PolarHBondContact O-N 3.18Å; L37-V41 PolarHBondContact O-N 2.89Å; L37-A78 HydrophobicContact CD2-CB 4.25Å; L37-N81 HydrophobicContact CD1-CB 3.6Å; L37-N81 HydrophobicContact CD2-CB 4.14Å; L37-L82 HydrophobicContact CB-CD1 4.17Å; L37-L82 HydrophobicContact CB-CD2 3.83Å; L37-L82 HydrophobicContact CB-CG 3.75Å; L37-L82 HydrophobicContact CD1-CD2 4.36Å; L37-L82 HydrophobicContact CD1-CG 4.33Å
38	S	88.3	Confident	86.5	Confident	30 Å²	30	74 Å²	74	21%	0.21	35%	0.354	C	S	.	.	H	α-helix	trans	-63.4	-34.2	175.6	79.7	0	0	0	0	112.1	Q34 E35 V41 K42	Q34-S38 VanDerWaalsContact O-CB 3.27Å; Q34-S38 WeakPolarHBondContact O-CB 3.48Å; Q34-S38 PolarHBondContact O-N 2.82Å; Q34-S38 PolarHBondContact O-OG 3.31Å; E35-S38 PolarHBondContact O-N 2.8Å; E35-S38 PolarHBondContact O-OG 3.22Å; S38-V41 PolarHBondContact O-N 3.42Å; S38-K42 WeakPolarHBondContact O-CB 3.44Å; S38-K42 VanDerWaalsContact O-CG 3.22Å; S38-K42 WeakPolarHBondContact O-CG 3.47Å; S38-K42 PolarHBondContact O-N 3.18Å
39	G	90.9	Very high	87.7	Confident	33 Å²	33	67.4 Å²	67.4	34%	0.34	33%	0.329	S	S	.	.	H	α-helix	trans	-62.5	-41.8	175.2	0	0	0	0	0	112.2	E35 K36 L37 N43	E35-G39 PolarHBondContact O-N 2.94Å; K36-G39 PolarHBondContact O-N 3.46Å; L37-G39 VanDerWaalsContact C-N 3.26Å; L37-G39 PolarHBondContact O-N 2.91Å; G39-N43 WeakPolarHBondContact O-CB 3.49Å; G39-N43 PolarHBondContact O-N 3Å
40	V	92.7	Very high	88.9	Confident	45 Å²	45	68.5 Å²	68.5	27%	0.273	32%	0.322	S	S	.	.	H	α-helix	trans	-58.7	-52.6	174.8	175.7	0	0	0	0	110.6	K36 L37 K42 N43 V44 A78	K36-V40 PolarHBondContact O-N 2.99Å; K36-V40 VanDerWaalsContact O-N 3.14Å; L37-V40 PolarHBondContact O-N 3.18Å; V40-K42 PolarHBondContact O-N 2.92Å; V40-N43 PolarHBondContact O-N 2.89Å; V40-V44 WeakPolarHBondContact O-CG2 3.5Å; V40-V44 PolarHBondContact O-N 3.42Å; V40-V44 VanDerWaalsContact O-N 3.09Å; V40-A78 HydrophobicContact CB-CB 4.06Å; V40-A78 HydrophobicContact CG1-CB 4Å
41	V	90.9	Very high	89.9	Confident	16 Å²	16	68 Å²	68	10%	0.097	32%	0.319	C	S	.	.	H	α-helix	trans	-58.7	-50.6	-179.7	174.7	0	0	0	0	111.2	L37 S38 N43 V44 H45 Y75 A78 M79 L82	L37-V41 PolarHBondContact O-N 2.89Å; S38-V41 PolarHBondContact O-N 3.42Å; V41-N43 VanDerWaalsContact C-N 3.32Å; V41-N43 PolarHBondContact O-N 3.27Å; V41-V44 PolarHBondContact O-N 3.2Å; V41-H45 PolarHBondContact O-CD2 3.04Å; V41-H45 VanDerWaalsContact O-CD2 3.28Å; V41-H45 PolarHBondContact O-N 3.27Å; V41-Y75 HydrophobicContact CB-CE2 4.19Å; V41-Y75 HydrophobicContact CG1-CE2 3.76Å; V41-Y75 HydrophobicContact CG2-CD2 4.41Å; V41-Y75 HydrophobicContact CG2-CE2 4.25Å; V41-A78 HydrophobicContact CG2-CB 4.09Å; V41-M79 HydrophobicContact CB-SD 4.5Å; V41-M79 HydrophobicContact CG1-SD 3.91Å; V41-M79 HydrophobicContact CG2-CG 4.01Å; V41-M79 HydrophobicContact CG2-SD 3.7Å; V41-L82 HydrophobicContact CG2-CD1 4Å
42	K	90.4	Very high	90.6	Very high	129 Å²	129	64.3 Å²	64.3	56%	0.561	30%	0.302	S	S	*	.	H	α-helix	trans	-60.7	-40.7	179.5	-72.5	172.7	-177.7	178.5	0	112.1	S38 V40 H45 R46	S38-K42 WeakPolarHBondContact O-CB 3.44Å; S38-K42 VanDerWaalsContact O-CG 3.22Å; S38-K42 WeakPolarHBondContact O-CG 3.47Å; S38-K42 PolarHBondContact O-N 3.18Å; V40-K42 PolarHBondContact O-N 2.92Å; K42-H45 PolarHBondContact O-N 3.29Å; K42-R46 WeakPolarHBondContact O-CB 3.31Å; K42-R46 PolarHBondContact O-N 3.36Å
43	N	91.8	Very high	91	Very high	71 Å²	71	62.5 Å²	62.5	38%	0.38	29%	0.292	S	S	.	.	H	α-helix	trans	-66	-41.4	-179.4	-173.2	32.2	0	0	0	111.9	G39 V40 V41 H45 R46 K47	G39-N43 WeakPolarHBondContact O-CB 3.49Å; G39-N43 PolarHBondContact O-N 3Å; V40-N43 PolarHBondContact O-N 2.89Å; V41-N43 VanDerWaalsContact C-N 3.32Å; V41-N43 PolarHBondContact O-N 3.27Å; N43-H45 PolarHBondContact O-N 3.28Å; N43-R46 PolarHBondContact O-N 3.1Å; N43-K47 WeakPolarHBondContact ND2-CE 3.46Å; N43-K47 WeakPolarHBondContact O-CB 3.46Å; N43-K47 VanDerWaalsContact O-CG 3.32Å; N43-K47 WeakPolarHBondContact O-CG 3.48Å; N43-K47 PolarHBondContact O-N 3.03Å; N43-K47 WeakPolarHBondContact OD1-CE 3.44Å
44	V	94.2	Very high	91.2	Very high	12 Å²	12	64.5 Å²	64.5	7%	0.073	30%	0.302	C	S	.	.	H	α-helix	trans	-58.6	-49.7	174.5	172.2	0	0	0	0	110.4	V40 V41 R46 K47 L48 T71 Y75 Y237	V40-V44 WeakPolarHBondContact O-CG2 3.5Å; V40-V44 PolarHBondContact O-N 3.42Å; V40-V44 VanDerWaalsContact O-N 3.09Å; V41-V44 PolarHBondContact O-N 3.2Å; V44-R46 VanDerWaalsContact C-N 3.35Å; V44-R46 PolarHBondContact O-N 2.75Å; V44-K47 PolarHBondContact O-N 3.47Å; V44-L48 HydrophobicContact CG1-CD1 4.28Å; V44-L48 WeakPolarHBondContact O-CG 3.42Å; V44-L48 PolarHBondContact O-N 3.02Å; V44-T71 HydrophobicContact CG1-CG2 4.38Å; V44-T71 HydrophobicContact CG2-CG2 3.74Å; V44-Y75 HydrophobicContact CB-CD2 3.88Å; V44-Y75 HydrophobicContact CB-CE2 4.36Å; V44-Y75 HydrophobicContact CG1-CD2 3.94Å; V44-Y75 HydrophobicContact CG1-CE2 4.36Å; V44-Y75 HydrophobicContact CG2-CD2 3.98Å; V44-Y237 HydrophobicContact CG1-CE2 4.29Å
45	H	93.1	Very high	91.5	Very high	25 Å²	25	65 Å²	65	12%	0.116	31%	0.31	C	S	.	.	H	α-helix	trans	-61.5	-42.3	179.1	-64.9	-169.1	0	0	0	112.2	V41 K42 N43 L48 R49 Y75 Y237	V41-H45 PolarHBondContact O-CD2 3.04Å; V41-H45 VanDerWaalsContact O-CD2 3.28Å; V41-H45 PolarHBondContact O-N 3.27Å; K42-H45 PolarHBondContact O-N 3.29Å; N43-H45 PolarHBondContact O-N 3.28Å; H45-L48 PolarHBondContact O-N 3.24Å; H45-R49 VanDerWaalsContact CB-NH2 3.34Å; H45-R49 PolarHBondContact O-N 2.94Å; H45-Y75 AromaticContact CD2-CE2 3.76Å; H45-Y75 AromaticContact NE2-CE2 3.41Å; H45-Y75 WeakPolarHBondContact NE2-CE2 3.5Å; H45-Y75 AromaticContact NE2-CZ 3.59Å; H45-Y75 PolarHBondContact NE2-OH 3.46Å; H45-Y237 AromaticContact CD2-CD2 3.39Å; H45-Y237 WeakPolarHBondContact CD2-CD2 3.07Å; H45-Y237 AromaticContact CD2-CE2 3.83Å; H45-Y237 AromaticContact NE2-CD2 3.27Å; H45-Y237 VanDerWaalsContact NE2-CD2 3.27Å; H45-Y237 WeakPolarHBondContact NE2-CD2 3.46Å; H45-Y237 AromaticContact NE2-CE2 3.91Å
46	R	90.6	Very high	91.6	Very high	42 Å²	42	62.1 Å²	62.1	16%	0.158	31%	0.308	C	S	.	.	H	α-helix	trans	-63.1	-47.6	177.8	-169.6	-170.9	-62.7	-172.3	2.7	111.3	K42 N43 V44 L48 R49 R50 E338 D339 D342	K42-R46 WeakPolarHBondContact O-CB 3.31Å; K42-R46 PolarHBondContact O-N 3.36Å; N43-R46 PolarHBondContact O-N 3.1Å; V44-R46 VanDerWaalsContact C-N 3.35Å; V44-R46 PolarHBondContact O-N 2.75Å; R46-L48 VanDerWaalsContact C-N 3.31Å; R46-L48 PolarHBondContact O-N 3.37Å; R46-R49 PolarHBondContact O-N 3.17Å; R46-R50 WeakPolarHBondContact O-CB 3.4Å; R46-R50 PolarHBondContact O-N 3.15Å; R46-E338 VanDerWaalsContact CG-OE2 3.24Å; R46-E338 WeakPolarHBondContact CG-OE2 3.17Å; R46-E338 VanDerWaalsContact CZ-O 3.28Å; R46-E338 PolarHBondContact NH1-O 3.24Å; R46-E338 PolarHBondContact NH2-O 3.25Å; R46-D339 IonicContact NH1-OD1 3.51Å; R46-D342 IonicContact NH2-OD1 2.82Å
47	K	93	Very high	91.7	Very high	95 Å²	95	57.7 Å²	57.7	41%	0.413	29%	0.292	S	S	.	.	H	α-helix	trans	-58.2	-43.3	177.4	-76.7	176.5	178.4	178.7	0	111.7	N43 V44 R50 K51	N43-K47 WeakPolarHBondContact ND2-CE 3.46Å; N43-K47 WeakPolarHBondContact O-CB 3.46Å; N43-K47 VanDerWaalsContact O-CG 3.32Å; N43-K47 WeakPolarHBondContact O-CG 3.48Å; N43-K47 PolarHBondContact O-N 3.03Å; N43-K47 WeakPolarHBondContact OD1-CE 3.44Å; V44-K47 PolarHBondContact O-N 3.47Å; K47-R50 PolarHBondContact O-N 2.84Å; K47-K51 WeakPolarHBondContact O-CB 3.38Å; K47-K51 WeakPolarHBondContact O-CG 3.28Å; K47-K51 PolarHBondContact O-N 3.01Å
48	L	94.3	Very high	91.8	Very high	6 Å²	6	58.5 Å²	58.5	3%	0.031	30%	0.295	C	S	.	.	H	α-helix	trans	-62.1	-47.7	176.7	-73.6	173.3	0	0	0	112	V44 H45 R46 K51 Y52 I61 H65 Y237 P239	V44-L48 HydrophobicContact CG1-CD1 4.28Å; V44-L48 WeakPolarHBondContact O-CG 3.42Å; V44-L48 PolarHBondContact O-N 3.02Å; H45-L48 PolarHBondContact O-N 3.24Å; R46-L48 VanDerWaalsContact C-N 3.31Å; R46-L48 PolarHBondContact O-N 3.37Å; L48-K51 PolarHBondContact O-N 3.42Å; L48-Y52 WeakPolarHBondContact O-CB 3.27Å; L48-Y52 PolarHBondContact O-N 3.39Å; L48-I61 HydrophobicContact CD2-CG2 3.87Å; L48-H65 HydrophobicContact CD2-CB 3.78Å; L48-Y237 HydrophobicContact CD1-CD2 4.5Å; L48-Y237 HydrophobicContact CD1-CE2 4.08Å; L48-P239 HydrophobicContact CB-CB 4.08Å; L48-P239 HydrophobicContact CB-CG 4.22Å
49	R	92.8	Very high	92.1	Very high	22 Å²	22	63.2 Å²	63.2	8%	0.083	31%	0.313	C	S	.	.	H	α-helix	trans	-62.9	-42.7	177.3	-78.9	-174.2	-70.4	-88.7	0.9	112.4	H45 R46 Y52 R53 S236 P239	H45-R49 VanDerWaalsContact CB-NH2 3.34Å; H45-R49 PolarHBondContact O-N 2.94Å; R46-R49 PolarHBondContact O-N 3.17Å; R49-Y52 PolarHBondContact O-N 3.41Å; R49-R53 WeakPolarHBondContact O-CG 3.36Å; R49-R53 PolarHBondContact O-N 3.05Å; R49-S236 PolarHBondContact NH1-O 3.48Å; R49-P239 HydrophobicContact CG-CB 4.02Å
50	R	92.1	Very high	92.3	Very high	106 Å²	106	65.9 Å²	65.9	40%	0.4	32%	0.315	S	S	.	.	H	α-helix	trans	-59.6	-50.9	176.4	-175.6	177.7	69.2	-164.7	2.4	111.4	R46 K47 Y52 R53 E54	R46-R50 WeakPolarHBondContact O-CB 3.4Å; R46-R50 PolarHBondContact O-N 3.15Å; K47-R50 PolarHBondContact O-N 2.84Å; R50-Y52 PolarHBondContact O-N 2.91Å; R50-R53 PolarHBondContact O-N 3.41Å; R50-E54 VanDerWaalsContact CG-OE1 3.26Å; R50-E54 WeakPolarHBondContact CG-OE1 3.3Å; R50-E54 WeakPolarHBondContact O-CG 3.43Å; R50-E54 PolarHBondContact O-N 2.91Å
51	K	93.1	Very high	92.4	Very high	87 Å²	87	64 Å²	64	38%	0.378	30%	0.304	S	S	.	.	H	α-helix	trans	-55.2	-41.7	175.2	-75.6	-176.9	175.6	-169.5	0	111.5	K47 L48 E54 V55 I61	K47-K51 WeakPolarHBondContact O-CB 3.38Å; K47-K51 WeakPolarHBondContact O-CG 3.28Å; K47-K51 PolarHBondContact O-N 3.01Å; L48-K51 PolarHBondContact O-N 3.42Å; K51-E54 PolarHBondContact O-N 3.19Å; K51-V55 PolarHBondContact O-N 2.87Å; K51-I61 VanDerWaalsContact C-CD1 3.47Å; K51-I61 HydrophobicContact CB-CD1 4Å; K51-I61 HydrophobicContact CB-CG1 4.23Å; K51-I61 HydrophobicContact CB-CG2 4.21Å; K51-I61 HydrophobicContact CD-CG2 4.46Å; K51-I61 WeakPolarHBondContact O-CD1 3.41Å
52	Y	93.8	Very high	92.7	Very high	50 Å²	50	63.7 Å²	63.7	20%	0.196	30%	0.301	C	S	.	.	H	α-helix	trans	-66.3	-42	180	177.6	-116.2	0	0	0	112.6	L48 R49 R50 E54 G56 F58 I61 P239 S240	L48-Y52 WeakPolarHBondContact O-CB 3.27Å; L48-Y52 PolarHBondContact O-N 3.39Å; R49-Y52 PolarHBondContact O-N 3.41Å; R50-Y52 PolarHBondContact O-N 2.91Å; Y52-E54 VanDerWaalsContact C-N 3.3Å; Y52-E54 PolarHBondContact O-N 3.39Å; Y52-G56 VanDerWaalsContact CE2-O 3.31Å; Y52-G56 WeakPolarHBondContact CE2-O 3.21Å; Y52-G56 VanDerWaalsContact O-CA 3.25Å; Y52-G56 WeakPolarHBondContact O-CA 3.5Å; Y52-G56 PolarHBondContact O-N 3.49Å; Y52-F58 HydrophobicContact CD2-CB 3.91Å; Y52-F58 HydrophobicContact CE2-CB 3.77Å; Y52-F58 HydrophobicContact CE2-CD1 4.43Å; Y52-I61 HydrophobicContact CD2-CD1 4.38Å; Y52-P239 WeakPolarHBondContact CD1-O 3.35Å; Y52-P239 HydrophobicContact CG-CB 4.35Å; Y52-S240 VanDerWaalsContact CE1-CB 3.41Å
53	R	90.4	Very high	93	Very high	83 Å²	83	63.2 Å²	63.2	31%	0.313	30%	0.296	S	S	.	.	H	α-helix	trans	-64	-34.6	174.9	-69.4	-176.4	-60.3	-116.9	1.7	112.8	R49 R50 Q330 E338	R49-R53 WeakPolarHBondContact O-CG 3.36Å; R49-R53 PolarHBondContact O-N 3.05Å; R50-R53 PolarHBondContact O-N 3.41Å; R53-Q330 PolarHBondContact NH1-O 2.93Å; R53-E338 IonicContact CZ-OE1 3.44Å; R53-E338 VanDerWaalsContact CZ-OE1 3.29Å; R53-E338 IonicContact NH1-OE1 3.05Å; R53-E338 PolarHBondContact NH1-OE1 3.21Å; R53-E338 IonicContact NH2-OE1 2.89Å; R53-E338 PolarHBondContact NH2-OE1 3.5Å; R53-E338 IonicContact NH2-OE2 2.69Å; R53-E338 PolarHBondContact NH2-OE2 3.25Å
54	E	89.6	Confident	93.2	Very high	134 Å²	134	63.4 Å²	63.4	63%	0.626	29%	0.294	S	S	*	.	H	α-helix	trans	-75.7	-41.3	-179.6	-71.6	168.4	-176.4	0	0	113	R50 K51 Y52	R50-E54 VanDerWaalsContact CG-OE1 3.26Å; R50-E54 WeakPolarHBondContact CG-OE1 3.3Å; R50-E54 WeakPolarHBondContact O-CG 3.43Å; R50-E54 PolarHBondContact O-N 2.91Å; K51-E54 PolarHBondContact O-N 3.19Å; Y52-E54 VanDerWaalsContact C-N 3.3Å; Y52-E54 PolarHBondContact O-N 3.39Å
55	V	90.9	Very high	93.3	Very high	93 Å²	93	63.4 Å²	63.4	56%	0.564	29%	0.293	S	S	*	.	H	α-helix	trans	-108.8	-30.6	-169.2	-174.8	0	0	0	0	113.1	K51 D57 I61	K51-V55 PolarHBondContact O-N 2.87Å; V55-D57 HydrophobicContact CG1-CB 4.11Å; V55-D57 PolarHBondContact O-N 3.29Å; V55-D57 VanDerWaalsContact O-N 3.16Å; V55-I61 HydrophobicContact CB-CD1 4.36Å
56	G	89.4	Confident	93.4	Very high	43 Å²	43	63.9 Å²	63.9	44%	0.443	30%	0.299	S	S	.	.			trans	74.6	-12	-177.9	0	0	0	0	0	116	Y52 F58	Y52-G56 VanDerWaalsContact CE2-O 3.31Å; Y52-G56 WeakPolarHBondContact CE2-O 3.21Å; Y52-G56 VanDerWaalsContact O-CA 3.25Å; Y52-G56 WeakPolarHBondContact O-CA 3.5Å; Y52-G56 PolarHBondContact O-N 3.49Å; G56-F58 PolarHBondContact O-N 3.14Å
57	D	93	Very high	93.7	Very high	67 Å²	67	68.3 Å²	68.3	36%	0.358	32%	0.322	S	S	.	.			trans	-88.5	86.5	-178.9	-174	-13.2	0	0	0	111.5	V55 E59 K60 I61	V55-D57 HydrophobicContact CG1-CB 4.11Å; V55-D57 PolarHBondContact O-N 3.29Å; V55-D57 VanDerWaalsContact O-N 3.16Å; D57-E59 VanDerWaalsContact C-N 3.26Å; D57-E59 PolarHBondContact O-N 3.2Å; D57-E59 PolarHBondContact OD1-N 2.85Å; D57-K60 HydrophobicContact CB-CB 4.18Å; D57-K60 WeakPolarHBondContact OD1-CB 3.46Å; D57-K60 PolarHBondContact OD1-N 2.85Å; D57-K60 WeakPolarHBondContact OD2-CB 3.46Å; D57-I61 WeakPolarHBondContact O-CB 3.41Å; D57-I61 VanDerWaalsContact O-CD1 3.27Å; D57-I61 WeakPolarHBondContact O-CD1 3.32Å; D57-I61 WeakPolarHBondContact O-CG1 3.45Å; D57-I61 PolarHBondContact O-N 3.28Å; D57-I61 VanDerWaalsContact O-N 3.1Å
58	F	92.8	Very high	93.9	Very high	40 Å²	40	66.8 Å²	66.8	18%	0.175	32%	0.318	C	S	.	.	H	α-helix	trans	-64.8	-28.8	-179.5	69.7	-96.7	0	0	0	113	Y52 G56 W62 Y242 Q243 I246	Y52-F58 HydrophobicContact CD2-CB 3.91Å; Y52-F58 HydrophobicContact CE2-CB 3.77Å; Y52-F58 HydrophobicContact CE2-CD1 4.43Å; G56-F58 PolarHBondContact O-N 3.14Å; F58-W62 WeakPolarHBondContact O-CB 3.49Å; F58-W62 PolarHBondContact O-N 3.21Å; F58-Y242 AromaticContact CE1-CD1 3.64Å; F58-Y242 HydrophobicContact CE1-CD1 3.64Å; F58-Y242 HydrophobicContact CE1-CE1 4.15Å; F58-Y242 HydrophobicContact CE1-CG 4.35Å; F58-Y242 HydrophobicContact CE2-CD1 4.04Å; F58-Y242 HydrophobicContact CE2-CE1 4.42Å; F58-Y242 AromaticContact CZ-CD1 3.38Å; F58-Y242 HydrophobicContact CZ-CD1 3.38Å; F58-Y242 AromaticContact CZ-CE1 3.62Å; F58-Y242 HydrophobicContact CZ-CE1 3.62Å; F58-Y242 HydrophobicContact CZ-CG 4.47Å; F58-Q243 HydrophobicContact CB-CG 4.38Å; F58-Q243 HydrophobicContact CD2-CG 3.67Å; F58-Q243 HydrophobicContact CE2-CG 4.32Å; F58-Q243 HydrophobicContact CG-CG 4.21Å; F58-I246 HydrophobicContact CE2-CD1 4.32Å
59	E	93.4	Very high	93.9	Very high	128 Å²	128	73.9 Å²	73.9	60%	0.598	35%	0.351	S	S	*	.	H	α-helix	trans	-70.1	-48	-179.1	-66.9	-169.6	157.9	0	0	110.5	D57 W62 R63	D57-E59 VanDerWaalsContact C-N 3.26Å; D57-E59 PolarHBondContact O-N 3.2Å; D57-E59 PolarHBondContact OD1-N 2.85Å; E59-W62 PolarHBondContact O-N 3.34Å; E59-R63 WeakPolarHBondContact O-CB 3.37Å; E59-R63 PolarHBondContact O-N 2.88Å
60	K	95.4	Very high	94	Very high	89 Å²	89	79.3 Å²	79.3	39%	0.387	38%	0.377	S	S	.	.	H	α-helix	trans	-63.1	-46.8	176.2	177.6	176.1	173.9	-176	0	111.8	D57 W62 R63 E64	D57-K60 HydrophobicContact CB-CB 4.18Å; D57-K60 WeakPolarHBondContact OD1-CB 3.46Å; D57-K60 PolarHBondContact OD1-N 2.85Å; D57-K60 WeakPolarHBondContact OD2-CB 3.46Å; K60-W62 VanDerWaalsContact C-N 3.31Å; K60-W62 PolarHBondContact O-N 2.99Å; K60-R63 PolarHBondContact O-N 3.11Å; K60-E64 WeakPolarHBondContact CE-OE1 3.22Å; K60-E64 HydrophobicContact CG-CG 4.45Å; K60-E64 WeakPolarHBondContact CG-OE1 3.48Å; K60-E64 IonicContact NZ-OE1 2.74Å; K60-E64 WeakPolarHBondContact O-CG 3.45Å; K60-E64 PolarHBondContact O-N 3.38Å
61	I	96.1	Very high	94.1	Very high	6 Å²	6	75.8 Å²	75.8	3%	0.031	37%	0.368	C	S	.	.	H	α-helix	trans	-61.3	-43	-179.3	-68.9	163.8	0	0	0	110.9	L48 K51 Y52 V55 D57 H65	L48-I61 HydrophobicContact CD2-CG2 3.87Å; K51-I61 VanDerWaalsContact C-CD1 3.47Å; K51-I61 HydrophobicContact CB-CD1 4Å; K51-I61 HydrophobicContact CB-CG1 4.23Å; K51-I61 HydrophobicContact CB-CG2 4.21Å; K51-I61 HydrophobicContact CD-CG2 4.46Å; K51-I61 WeakPolarHBondContact O-CD1 3.41Å; Y52-I61 HydrophobicContact CD2-CD1 4.38Å; V55-I61 HydrophobicContact CB-CD1 4.36Å; D57-I61 WeakPolarHBondContact O-CB 3.41Å; D57-I61 VanDerWaalsContact O-CD1 3.27Å; D57-I61 WeakPolarHBondContact O-CD1 3.32Å; D57-I61 WeakPolarHBondContact O-CG1 3.45Å; D57-I61 PolarHBondContact O-N 3.28Å; D57-I61 VanDerWaalsContact O-N 3.1Å; I61-H65 VanDerWaalsContact O-CB 3.32Å; I61-H65 WeakPolarHBondContact O-CB 3.36Å; I61-H65 PolarHBondContact O-N 3.38Å
62	W	96.4	Very high	94.1	Very high	9 Å²	9	71.9 Å²	71.9	3%	0.034	35%	0.351	C	S	.	.	H	α-helix	trans	-66.4	-44.6	178.2	-172.6	-109.8	0	0	0	111.8	F58 E59 K60 E64 H65 C66 I179 D190 L192 Y237 F238	F58-W62 WeakPolarHBondContact O-CB 3.49Å; F58-W62 PolarHBondContact O-N 3.21Å; E59-W62 PolarHBondContact O-N 3.34Å; K60-W62 VanDerWaalsContact C-N 3.31Å; K60-W62 PolarHBondContact O-N 2.99Å; W62-E64 PolarHBondContact O-N 2.9Å; W62-H65 AromaticContact CZ3-CD2 3.85Å; W62-H65 CarbonylContact O-C 3.51Å; W62-H65 WeakPolarHBondContact O-CB 3.47Å; W62-H65 PolarHBondContact O-N 3.43Å; W62-H65 VanDerWaalsContact O-N 3.15Å; W62-C66 PolarHBondContact NE1-SG 3.41Å; W62-C66 VanDerWaalsContact NE1-SG 3.38Å; W62-C66 PolarHBondContact O-N 3.43Å; W62-C66 PolarHBondContact O-SG 2.98Å; W62-I179 HydrophobicContact CZ2-CD1 4.09Å; W62-D190 PolarHBondContact NE1-OD1 3.4Å; W62-D190 PolarHBondContact NE1-OD2 3.49Å; W62-D190 VanDerWaalsContact NE1-OD2 3.11Å; W62-L192 HydrophobicContact CD2-CD1 3.88Å; W62-L192 HydrophobicContact CG-CD1 3.96Å; W62-L192 HydrophobicContact CZ2-CD1 4.26Å; W62-Y237 AromaticContact CH2-CD1 3.87Å; W62-Y237 HydrophobicContact CH2-CD1 3.87Å; W62-Y237 AromaticContact CH2-CE1 3.47Å; W62-Y237 HydrophobicContact CH2-CE1 3.47Å; W62-Y237 VanDerWaalsContact CH2-CE1 3.47Å; W62-Y237 HydrophobicContact CZ3-CD1 4.31Å; W62-Y237 HydrophobicContact CZ3-CE1 4Å; W62-F238 HydrophobicContact CE3-CD1 4.36Å; W62-F238 AromaticContact CH2-CD1 3.92Å; W62-F238 HydrophobicContact CH2-CD1 3.92Å; W62-F238 AromaticContact CH2-CE1 3.55Å; W62-F238 HydrophobicContact CH2-CE1 3.55Å; W62-F238 HydrophobicContact CZ2-CD1 4.39Å; W62-F238 AromaticContact CZ2-CE1 3.73Å; W62-F238 HydrophobicContact CZ2-CE1 3.73Å; W62-F238 AromaticContact CZ3-CD1 3.92Å; W62-F238 HydrophobicContact CZ3-CD1 3.92Å; W62-F238 HydrophobicContact CZ3-CE1 4.04Å
63	R	96.1	Very high	94.1	Very high	119 Å²	119	73 Å²	73	45%	0.449	37%	0.366	S	S	.	.	H	α-helix	trans	-58.5	-48.9	176.6	179.1	179.4	57	-109.3	-2.7	112.2	E59 K60 H65 C66 E67	E59-R63 WeakPolarHBondContact O-CB 3.37Å; E59-R63 PolarHBondContact O-N 2.88Å; K60-R63 PolarHBondContact O-N 3.11Å; R63-H65 PolarHBondContact O-N 2.99Å; R63-C66 WeakPolarHBondContact O-CB 3.16Å; R63-C66 PolarHBondContact O-N 2.84Å; R63-C66 VanDerWaalsContact O-N 3.12Å; R63-E67 WeakPolarHBondContact CG-OE1 3.35Å; R63-E67 WeakPolarHBondContact O-CG 3.43Å; R63-E67 PolarHBondContact O-N 2.97Å; R63-E67 VanDerWaalsContact O-N 3.07Å
64	E	96.4	Very high	94.2	Very high	75 Å²	75	73.8 Å²	73.8	35%	0.35	37%	0.373	S	S	.	.	H	α-helix	trans	-59.3	-37.6	176.2	-72.5	175.2	-175.7	0	0	111.7	K60 W62 E67 D68	K60-E64 WeakPolarHBondContact CE-OE1 3.22Å; K60-E64 HydrophobicContact CG-CG 4.45Å; K60-E64 WeakPolarHBondContact CG-OE1 3.48Å; K60-E64 IonicContact NZ-OE1 2.74Å; K60-E64 WeakPolarHBondContact O-CG 3.45Å; K60-E64 PolarHBondContact O-N 3.38Å; W62-E64 PolarHBondContact O-N 2.9Å; E64-E67 PolarHBondContact O-N 3.49Å; E64-D68 PolarHBondContact O-N 3.4Å
65	H	96.6	Very high	94.4	Very high	12 Å²	12	68.8 Å²	68.8	6%	0.056	35%	0.349	C	S	.	.	H	α-helix	trans	-67.2	-39	175.5	-177.6	68.8	0	0	0	112.7	L48 I61 W62 R63 E67 D68 L72 Y237	L48-H65 HydrophobicContact CD2-CB 3.78Å; I61-H65 VanDerWaalsContact O-CB 3.32Å; I61-H65 WeakPolarHBondContact O-CB 3.36Å; I61-H65 PolarHBondContact O-N 3.38Å; W62-H65 AromaticContact CZ3-CD2 3.85Å; W62-H65 CarbonylContact O-C 3.51Å; W62-H65 WeakPolarHBondContact O-CB 3.47Å; W62-H65 PolarHBondContact O-N 3.43Å; W62-H65 VanDerWaalsContact O-N 3.15Å; R63-H65 PolarHBondContact O-N 2.99Å; H65-E67 PolarHBondContact O-N 2.93Å; H65-D68 PolarHBondContact O-N 2.89Å; H65-L72 WeakPolarHBondContact NE2-CD2 3.42Å; H65-L72 VanDerWaalsContact O-CD1 3.29Å; H65-L72 WeakPolarHBondContact O-CD1 3.36Å; H65-Y237 AromaticContact NE2-CZ 3.58Å; H65-Y237 PolarHBondContact NE2-OH 3.45Å
66	C	95.7	Very high	94.4	Very high	35 Å²	35	64.9 Å²	64.9	24%	0.236	33%	0.326	C	S	.	.	H	α-helix	trans	-64.9	-27.5	174.3	-64.2	0	0	0	0	113	W62 R63 I179	W62-C66 PolarHBondContact NE1-SG 3.41Å; W62-C66 VanDerWaalsContact NE1-SG 3.38Å; W62-C66 PolarHBondContact O-N 3.43Å; W62-C66 PolarHBondContact O-SG 2.98Å; R63-C66 WeakPolarHBondContact O-CB 3.16Å; R63-C66 PolarHBondContact O-N 2.84Å; R63-C66 VanDerWaalsContact O-N 3.12Å; C66-I179 HydrophobicContact CB-CD1 4.05Å; C66-I179 WeakPolarHBondContact SG-CD1 3.44Å
67	E	96.1	Very high	94.5	Very high	135 Å²	135	67.6 Å²	67.6	63%	0.631	33%	0.331	S	S	*	.	H	α-helix	trans	-85.6	-18	178.5	-70	169.2	-176.5	0	0	113	R63 E64 H65 E69	R63-E67 WeakPolarHBondContact CG-OE1 3.35Å; R63-E67 WeakPolarHBondContact O-CG 3.43Å; R63-E67 PolarHBondContact O-N 2.97Å; R63-E67 VanDerWaalsContact O-N 3.07Å; E64-E67 PolarHBondContact O-N 3.49Å; H65-E67 PolarHBondContact O-N 2.93Å; E67-E69 VanDerWaalsContact C-N 3.31Å; E67-E69 PolarHBondContact O-N 2.97Å
68	D	96.4	Very high	94.4	Very high	64 Å²	64	64.6 Å²	64.6	34%	0.342	32%	0.315	S	S	.	.			trans	-80	75.8	177.9	-171.1	-12.6	0	0	0	111.4	E64 H65 Q70 T71 L72	E64-D68 PolarHBondContact O-N 3.4Å; H65-D68 PolarHBondContact O-N 2.89Å; D68-Q70 PolarHBondContact O-N 3.22Å; D68-Q70 PolarHBondContact OD1-N 3.29Å; D68-T71 PolarHBondContact O-N 3.38Å; D68-T71 WeakPolarHBondContact OD1-CB 3.13Å; D68-T71 PolarHBondContact OD1-N 3.24Å; D68-T71 PolarHBondContact OD1-OG1 3.07Å; D68-T71 WeakPolarHBondContact OD2-CB 3.5Å; D68-T71 PolarHBondContact OD2-OG1 3.37Å; D68-L72 WeakPolarHBondContact O-CB 3.29Å; D68-L72 WeakPolarHBondContact O-CG 3.44Å; D68-L72 PolarHBondContact O-N 3.06Å
69	E	94.3	Very high	94.3	Very high	154 Å²	154	64.4 Å²	64.4	72%	0.72	32%	0.315	S	S	*	.	H	α-helix	trans	-56.2	-34	-179.5	-64.8	-169.6	163.6	0	0	112.8	E67 S73	E67-E69 VanDerWaalsContact C-N 3.31Å; E67-E69 PolarHBondContact O-N 2.97Å; E69-S73 WeakPolarHBondContact O-CB 3.31Å; E69-S73 PolarHBondContact O-N 2.93Å
70	Q	95.1	Very high	93.9	Very high	136 Å²	136	63.3 Å²	63.3	64%	0.636	31%	0.305	S	S	*	.	H	α-helix	trans	-67.9	-55.2	-179.8	-176.7	-178.8	-13.6	0	0	110.7	D68 L72 S73 E74	D68-Q70 PolarHBondContact O-N 3.22Å; D68-Q70 PolarHBondContact OD1-N 3.29Å; Q70-L72 VanDerWaalsContact C-N 3.27Å; Q70-L72 PolarHBondContact O-N 3.41Å; Q70-S73 PolarHBondContact O-N 3.48Å; Q70-E74 PolarHBondContact NE2-OE1 2.9Å; Q70-E74 WeakPolarHBondContact O-CG 3.11Å; Q70-E74 PolarHBondContact O-N 3.09Å
71	T	94.8	Very high	93.6	Very high	33 Å²	33	61 Å²	61	20%	0.202	30%	0.297	C	S	.	.	H	α-helix	trans	-60.2	-41	179.8	-66	0	0	0	0	110.9	V44 D68 E74 Y75	V44-T71 HydrophobicContact CG1-CG2 4.38Å; V44-T71 HydrophobicContact CG2-CG2 3.74Å; D68-T71 PolarHBondContact O-N 3.38Å; D68-T71 WeakPolarHBondContact OD1-CB 3.13Å; D68-T71 PolarHBondContact OD1-N 3.24Å; D68-T71 PolarHBondContact OD1-OG1 3.07Å; D68-T71 WeakPolarHBondContact OD2-CB 3.5Å; D68-T71 PolarHBondContact OD2-OG1 3.37Å; T71-E74 PolarHBondContact O-N 3.29Å; T71-Y75 VanDerWaalsContact O-CB 3.27Å; T71-Y75 WeakPolarHBondContact O-CB 3.39Å; T71-Y75 PolarHBondContact O-N 2.75Å
72	L	94.1	Very high	93.1	Very high	5 Å²	5	61 Å²	61	3%	0.026	30%	0.297	C	S	.	.	H	α-helix	trans	-67	-39.1	178.5	-72.8	172.7	0	0	0	112.9	H65 D68 Q70 Y75 A76 I179 V180	H65-L72 WeakPolarHBondContact NE2-CD2 3.42Å; H65-L72 VanDerWaalsContact O-CD1 3.29Å; H65-L72 WeakPolarHBondContact O-CD1 3.36Å; D68-L72 WeakPolarHBondContact O-CB 3.29Å; D68-L72 WeakPolarHBondContact O-CG 3.44Å; D68-L72 PolarHBondContact O-N 3.06Å; Q70-L72 VanDerWaalsContact C-N 3.27Å; Q70-L72 PolarHBondContact O-N 3.41Å; L72-Y75 PolarHBondContact O-N 3.42Å; L72-A76 WeakPolarHBondContact O-CB 3.32Å; L72-A76 PolarHBondContact O-N 2.84Å; L72-I179 HydrophobicContact CD1-CD1 4.36Å; L72-I179 HydrophobicContact CD2-CD1 4.41Å; L72-I179 HydrophobicContact CD2-CG2 4.27Å; L72-V180 HydrophobicContact CB-CG2 3.61Å; L72-V180 HydrophobicContact CD1-CG2 3.91Å; L72-V180 HydrophobicContact CD2-CG2 4.4Å; L72-V180 HydrophobicContact CG-CG2 4.22Å
73	S	92.3	Very high	92.4	Very high	74 Å²	74	60.8 Å²	60.8	52%	0.517	30%	0.297	S	S	.	.	H	α-helix	trans	-64.7	-44.6	175.8	-175.7	0	0	0	0	111.4	E69 Q70 Y75 A76 L77	E69-S73 WeakPolarHBondContact O-CB 3.31Å; E69-S73 PolarHBondContact O-N 2.93Å; Q70-S73 PolarHBondContact O-N 3.48Å; S73-Y75 VanDerWaalsContact C-N 3.34Å; S73-Y75 PolarHBondContact O-N 3.12Å; S73-A76 PolarHBondContact O-N 2.86Å; S73-L77 WeakPolarHBondContact O-CB 3.14Å; S73-L77 PolarHBondContact O-N 3.46Å
74	E	93.6	Very high	91.7	Very high	98 Å²	98	58.5 Å²	58.5	46%	0.458	29%	0.294	S	S	.	.	H	α-helix	trans	-61.3	-42.5	174.5	-71.2	177.5	-164.1	0	0	111.7	Q70 T71 A78	Q70-E74 PolarHBondContact NE2-OE1 2.9Å; Q70-E74 WeakPolarHBondContact O-CG 3.11Å; Q70-E74 PolarHBondContact O-N 3.09Å; T71-E74 PolarHBondContact O-N 3.29Å; E74-A78 WeakPolarHBondContact O-CB 3.41Å; E74-A78 PolarHBondContact O-N 3.41Å
75	Y	93.5	Very high	90.9	Very high	29 Å²	29	58.1 Å²	58.1	11%	0.114	29%	0.294	C	S	.	.	H	α-helix	trans	-62.1	-50	176	179.5	-91.1	0	0	0	112.1	V41 V44 H45 T71 L72 S73 L77 A78 M79 Y237	V41-Y75 HydrophobicContact CB-CE2 4.19Å; V41-Y75 HydrophobicContact CG1-CE2 3.76Å; V41-Y75 HydrophobicContact CG2-CD2 4.41Å; V41-Y75 HydrophobicContact CG2-CE2 4.25Å; V44-Y75 HydrophobicContact CB-CD2 3.88Å; V44-Y75 HydrophobicContact CB-CE2 4.36Å; V44-Y75 HydrophobicContact CG1-CD2 3.94Å; V44-Y75 HydrophobicContact CG1-CE2 4.36Å; V44-Y75 HydrophobicContact CG2-CD2 3.98Å; H45-Y75 AromaticContact CD2-CE2 3.76Å; H45-Y75 AromaticContact NE2-CE2 3.41Å; H45-Y75 WeakPolarHBondContact NE2-CE2 3.5Å; H45-Y75 AromaticContact NE2-CZ 3.59Å; H45-Y75 PolarHBondContact NE2-OH 3.46Å; T71-Y75 VanDerWaalsContact O-CB 3.27Å; T71-Y75 WeakPolarHBondContact O-CB 3.39Å; T71-Y75 PolarHBondContact O-N 2.75Å; L72-Y75 PolarHBondContact O-N 3.42Å; S73-Y75 VanDerWaalsContact C-N 3.34Å; S73-Y75 PolarHBondContact O-N 3.12Å; Y75-L77 VanDerWaalsContact C-N 3.35Å; Y75-L77 PolarHBondContact O-N 3.45Å; Y75-A78 PolarHBondContact O-N 3.21Å; Y75-M79 HydrophobicContact CD1-CG 4.07Å; Y75-M79 HydrophobicContact CE1-CG 3.65Å; Y75-M79 HydrophobicContact CE2-CG 4.4Å; Y75-M79 WeakPolarHBondContact O-CB 3.27Å; Y75-M79 WeakPolarHBondContact O-CG 3.47Å; Y75-M79 PolarHBondContact O-N 3.11Å; Y75-Y237 HydrophobicContact CE1-CE2 4.38Å; Y75-Y237 HydrophobicContact CE2-CE2 4.15Å; Y75-Y237 AromaticContact CZ-CE2 3.93Å
76	A	91.3	Very high	90	Very high	11 Å²	11	58.5 Å²	58.5	9%	0.091	30%	0.296	C	S	.	.	H	α-helix	trans	-62.3	-41.9	179.9	0	0	0	0	0	111.7	L72 S73 M79 R80 V180	L72-A76 WeakPolarHBondContact O-CB 3.32Å; L72-A76 PolarHBondContact O-N 2.84Å; S73-A76 PolarHBondContact O-N 2.86Å; A76-M79 PolarHBondContact O-N 3.25Å; A76-R80 WeakPolarHBondContact O-CB 3.33Å; A76-R80 PolarHBondContact O-N 3.2Å; A76-V180 HydrophobicContact CB-CB 4.15Å; A76-V180 HydrophobicContact CB-CG1 3.7Å
77	L	90.9	Very high	88.9	Confident	101 Å²	101	59.7 Å²	59.7	53%	0.529	30%	0.296	S	S	.	.	H	α-helix	trans	-62.8	-42.7	175	-177.4	62.2	0	0	0	111.5	S73 Y75 R80 N81	S73-L77 WeakPolarHBondContact O-CB 3.14Å; S73-L77 PolarHBondContact O-N 3.46Å; Y75-L77 VanDerWaalsContact C-N 3.35Å; Y75-L77 PolarHBondContact O-N 3.45Å; L77-R80 PolarHBondContact O-N 2.81Å; L77-N81 WeakPolarHBondContact O-CB 3.26Å; L77-N81 VanDerWaalsContact O-CG 3.31Å; L77-N81 PolarHBondContact O-N 3.17Å; L77-N81 PolarHBondContact O-ND2 2.93Å
78	A	91.8	Very high	87.2	Confident	3 Å²	3	56.1 Å²	56.1	3%	0.025	29%	0.289	C	S	.	.	H	α-helix	trans	-63.7	-45.3	177	0	0	0	0	0	112.2	L37 V40 V41 E74 Y75 N81 L82	L37-A78 HydrophobicContact CD2-CB 4.25Å; V40-A78 HydrophobicContact CB-CB 4.06Å; V40-A78 HydrophobicContact CG1-CB 4Å; V41-A78 HydrophobicContact CG2-CB 4.09Å; E74-A78 WeakPolarHBondContact O-CB 3.41Å; E74-A78 PolarHBondContact O-N 3.41Å; Y75-A78 PolarHBondContact O-N 3.21Å; A78-N81 PolarHBondContact O-N 3.44Å; A78-L82 WeakPolarHBondContact O-CB 3.36Å; A78-L82 WeakPolarHBondContact O-CG 3.4Å; A78-L82 PolarHBondContact O-N 2.98Å
79	M	89.7	Confident	85.4	Confident	36 Å²	36	60.2 Å²	60.2	18%	0.177	30%	0.304	C	S	.	.	H	α-helix	trans	-60.1	-45.7	176.6	-76.7	-64	-65.7	0	0	112.1	V41 Y75 A76 L82 A83 W87	V41-M79 HydrophobicContact CB-SD 4.5Å; V41-M79 HydrophobicContact CG1-SD 3.91Å; V41-M79 HydrophobicContact CG2-CG 4.01Å; V41-M79 HydrophobicContact CG2-SD 3.7Å; Y75-M79 HydrophobicContact CD1-CG 4.07Å; Y75-M79 HydrophobicContact CE1-CG 3.65Å; Y75-M79 HydrophobicContact CE2-CG 4.4Å; Y75-M79 WeakPolarHBondContact O-CB 3.27Å; Y75-M79 WeakPolarHBondContact O-CG 3.47Å; Y75-M79 PolarHBondContact O-N 3.11Å; A76-M79 PolarHBondContact O-N 3.25Å; M79-L82 PolarHBondContact O-N 2.68Å; M79-A83 WeakPolarHBondContact O-CB 3.32Å; M79-A83 PolarHBondContact O-N 2.96Å; M79-W87 HydrophobicContact CE-CH2 3.81Å; M79-W87 HydrophobicContact CE-CZ3 4.02Å; M79-W87 HydrophobicContact SD-CH2 4.14Å
80	R	86.1	Confident	83.5	Confident	105 Å²	105	56 Å²	56	40%	0.396	29%	0.289	S	S	.	.	H	α-helix	trans	-61.2	-48.7	176.6	178.9	179.4	172	177.3	-2.9	111.7	A76 L77 L82 A83 D84 A182	A76-R80 WeakPolarHBondContact O-CB 3.33Å; A76-R80 PolarHBondContact O-N 3.2Å; L77-R80 PolarHBondContact O-N 2.81Å; R80-L82 VanDerWaalsContact C-N 3.31Å; R80-L82 PolarHBondContact O-N 3.42Å; R80-A83 WeakPolarHBondContact O-CB 3.49Å; R80-A83 PolarHBondContact O-N 2.88Å; R80-A83 VanDerWaalsContact O-N 3.11Å; R80-D84 WeakPolarHBondContact CG-OD2 2.88Å; R80-D84 IonicContact NE-OD2 3.71Å; R80-D84 PolarHBondContact NE-OD2 2.93Å; R80-D84 PolarHBondContact O-N 3.21Å; R80-A182 HydrophobicContact CB-CB 4.29Å; R80-A182 PolarHBondContact NH1-O 2.96Å
81	N	88	Confident	81.3	Confident	41 Å²	41	54.9 Å²	54.9	22%	0.219	30%	0.295	C	S	.	.	H	α-helix	trans	-64.3	-36.1	-179.1	-73.6	-27.7	0	0	0	112.3	L37 L77 A78 N85	L37-N81 HydrophobicContact CD1-CB 3.6Å; L37-N81 HydrophobicContact CD2-CB 4.14Å; L77-N81 WeakPolarHBondContact O-CB 3.26Å; L77-N81 VanDerWaalsContact O-CG 3.31Å; L77-N81 PolarHBondContact O-N 3.17Å; L77-N81 PolarHBondContact O-ND2 2.93Å; A78-N81 PolarHBondContact O-N 3.44Å; N81-N85 VanDerWaalsContact O-CB 3.28Å; N81-N85 WeakPolarHBondContact O-CB 3.37Å; N81-N85 PolarHBondContact O-N 3.47Å; N81-N85 PolarHBondContact O-ND2 2.95Å; N81-N85 VanDerWaalsContact O-ND2 3.15Å
82	L	86.8	Confident	79.4	Confident	7 Å²	7	57.3 Å²	57.3	4%	0.037	30%	0.304	C	S	.	.	H	α-helix	trans	-62.4	-45.1	171.6	-75.2	167.6	0	0	0	111.3	Q34 L37 V41 A78 M79 R80 H86 W87	Q34-L82 HydrophobicContact CG-CD2 4.09Å; L37-L82 HydrophobicContact CB-CD1 4.17Å; L37-L82 HydrophobicContact CB-CD2 3.83Å; L37-L82 HydrophobicContact CB-CG 3.75Å; L37-L82 HydrophobicContact CD1-CD2 4.36Å; L37-L82 HydrophobicContact CD1-CG 4.33Å; V41-L82 HydrophobicContact CG2-CD1 4Å; A78-L82 WeakPolarHBondContact O-CB 3.36Å; A78-L82 WeakPolarHBondContact O-CG 3.4Å; A78-L82 PolarHBondContact O-N 2.98Å; M79-L82 PolarHBondContact O-N 2.68Å; R80-L82 VanDerWaalsContact C-N 3.31Å; R80-L82 PolarHBondContact O-N 3.42Å; L82-H86 CarbonylContact O-C 3.38Å; L82-H86 WeakPolarHBondContact O-CA 3.24Å; L82-H86 WeakPolarHBondContact O-CB 3.06Å; L82-H86 PolarHBondContact O-N 3.4Å; L82-W87 HydrophobicContact CB-CD2 4.34Å; L82-W87 HydrophobicContact CB-CH2 4.18Å; L82-W87 HydrophobicContact CB-CZ2 3.93Å; L82-W87 HydrophobicContact CB-CZ3 4.49Å; L82-W87 HydrophobicContact CD1-CZ2 4.2Å; L82-W87 PolarHBondContact O-N 3.39Å
83	A	81.9	Confident	77.5	Confident	4 Å²	4	57.5 Å²	57.5	3%	0.033	31%	0.307	C	S	.	.	I	π-helix	trans	-61.7	-54.3	178.3	0	0	0	0	0	112.2	M79 R80 W87 A88 F163	M79-A83 WeakPolarHBondContact O-CB 3.32Å; M79-A83 PolarHBondContact O-N 2.96Å; R80-A83 WeakPolarHBondContact O-CB 3.49Å; R80-A83 PolarHBondContact O-N 2.88Å; R80-A83 VanDerWaalsContact O-N 3.11Å; A83-W87 HydrophobicContact CB-CE3 3.9Å; A83-W87 HydrophobicContact CB-CZ3 4.37Å; A83-W87 PolarHBondContact O-N 3.06Å; A83-A88 WeakPolarHBondContact O-CB 3.36Å; A83-A88 PolarHBondContact O-N 2.91Å; A83-F163 HydrophobicContact CB-CD1 3.99Å; A83-F163 HydrophobicContact CB-CE1 3.44Å; A83-F163 VanDerWaalsContact CB-CE1 3.44Å; A83-F163 HydrophobicContact CB-CZ 3.92Å
84	D	80.8	Confident	76	Confident	71 Å²	71	58.9 Å²	58.9	38%	0.38	31%	0.305	S	S	.	.	I	π-helix	trans	-66.9	-41.2	-174.3	-70.5	-16.4	0	0	0	112.2	R80	R80-D84 WeakPolarHBondContact CG-OD2 2.88Å; R80-D84 IonicContact NE-OD2 3.71Å; R80-D84 PolarHBondContact NE-OD2 2.93Å; R80-D84 PolarHBondContact O-N 3.21Å
85	N	80.1	Confident	75.5	Confident	66 Å²	66	55.2 Å²	55.2	35%	0.353	29%	0.293	S	S	.	.	I	π-helix	trans	-102.1	-24.8	-168.1	-60.7	-60	0	0	0	114.6	N81	N81-N85 VanDerWaalsContact O-CB 3.28Å; N81-N85 WeakPolarHBondContact O-CB 3.37Å; N81-N85 PolarHBondContact O-N 3.47Å; N81-N85 PolarHBondContact O-ND2 2.95Å; N81-N85 VanDerWaalsContact O-ND2 3.15Å
86	H	75.9	Confident	75.2	Confident	20 Å²	20	54.5 Å²	54.5	9%	0.093	29%	0.29	C	S	.	.	I	π-helix	trans	-120.4	-39.3	-171.5	-61.1	-79.6	0	0	0	113.6	K30 Q34 L82 T90	K30-H86 PolarHBondContact O-CE1 3.47Å; K30-H86 VanDerWaalsContact O-CE1 3.31Å; Q34-H86 VanDerWaalsContact CB-CE1 3.5Å; Q34-H86 WeakPolarHBondContact CB-CE1 3.27Å; Q34-H86 HydrophobicContact CG-CB 4.31Å; Q34-H86 PolarHBondContact OE1-ND1 2.85Å; L82-H86 CarbonylContact O-C 3.38Å; L82-H86 WeakPolarHBondContact O-CA 3.24Å; L82-H86 WeakPolarHBondContact O-CB 3.06Å; L82-H86 PolarHBondContact O-N 3.4Å; H86-T90 PolarHBondContact O-OG1 2.92Å
87	W	73.3	Confident	75.3	Confident	61 Å²	61	54.5 Å²	54.5	23%	0.231	29%	0.289	C	S	.	.	I	π-helix	trans	-90.2	-34.3	-177.7	-58.3	-23.5	0	0	0	114.1	M79 L82 A83 K89 T90 G93	M79-W87 HydrophobicContact CE-CH2 3.81Å; M79-W87 HydrophobicContact CE-CZ3 4.02Å; M79-W87 HydrophobicContact SD-CH2 4.14Å; L82-W87 HydrophobicContact CB-CD2 4.34Å; L82-W87 HydrophobicContact CB-CH2 4.18Å; L82-W87 HydrophobicContact CB-CZ2 3.93Å; L82-W87 HydrophobicContact CB-CZ3 4.49Å; L82-W87 HydrophobicContact CD1-CZ2 4.2Å; L82-W87 PolarHBondContact O-N 3.39Å; A83-W87 HydrophobicContact CB-CE3 3.9Å; A83-W87 HydrophobicContact CB-CZ3 4.37Å; A83-W87 PolarHBondContact O-N 3.06Å; W87-K89 PolarHBondContact O-N 2.99Å; W87-T90 PolarHBondContact O-N 3.48Å; W87-T90 PolarHBondContact O-OG1 3.36Å; W87-G93 WeakPolarHBondContact O-CA 3.44Å
88	A	61.5	Low	75.4	Confident	60 Å²	60	52.6 Å²	52.6	50%	0.496	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-20.2	177.6	0	0	0	0	0	113	A83	A83-A88 WeakPolarHBondContact O-CB 3.36Å; A83-A88 PolarHBondContact O-N 2.91Å
89	K	57.6	Low	75.5	Confident	149 Å²	149	53 Å²	53	65%	0.648	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-17.9	-178.1	-64.3	179.1	-172.4	163.4	0	113.5	W87	W87-K89 PolarHBondContact O-N 2.99Å
90	T	54.5	Low	75.8	Confident	65 Å²	65	51.4 Å²	51.4	40%	0.399	27%	0.27	S	S	.	.	S	Bend	trans	-94.9	133.7	171.1	47.9	0	0	0	0	108.5	H86 W87 E92 G93	H86-T90 PolarHBondContact O-OG1 2.92Å; W87-T90 PolarHBondContact O-N 3.48Å; W87-T90 PolarHBondContact O-OG1 3.36Å; T90-E92 PolarHBondContact O-N 2.95Å; T90-G93 PolarHBondContact O-N 3.23Å
91	C	48.9	Very low	76.3	Confident	113 Å²	113	50.3 Å²	50.3	76%	0.764	27%	0.266	S	S	*	.	H	α-helix	trans	-55.8	-13	-179.6	-58.8	0	0	0	0	113.8	G95	C91-G95 WeakPolarHBondContact O-CA 3.46Å; C91-G95 PolarHBondContact O-N 3.34Å
92	E	54.6	Low	76.7	Confident	85 Å²	85	50.8 Å²	50.8	40%	0.397	27%	0.273	S	S	.	.	H	α-helix	trans	-69	-30.1	176.4	-56.6	-171.2	152.8	0	0	113.9	T90 H300	T90-E92 PolarHBondContact O-N 2.95Å; E92-H300 IonicContact OE1-CD2 3.63Å; E92-H300 PolarHBondContact OE1-CD2 2.64Å
93	G	55.3	Low	77.2	Confident	8 Å²	8	50.6 Å²	50.6	8%	0.082	27%	0.272	C	S	.	.	H	α-helix	trans	-67.9	-49.5	178	0	0	0	0	0	112.9	W87 T90 R96	W87-G93 WeakPolarHBondContact O-CA 3.44Å; T90-G93 PolarHBondContact O-N 3.23Å; G93-R96 WeakPolarHBondContact O-CG 3.12Å
94	E	60.5	Low	78	Confident	103 Å²	103	50.4 Å²	50.4	48%	0.481	27%	0.27	S	S	.	.	H	α-helix	trans	-67.6	-42.4	170.8	-66.4	-174.6	157.1	0	0	109.7	R96 I97 E98	E94-R96 VanDerWaalsContact C-N 3.25Å; E94-R96 PolarHBondContact O-N 3.25Å; E94-I97 PolarHBondContact O-N 2.95Å; E94-E98 WeakPolarHBondContact CA-OE2 3.17Å; E94-E98 WeakPolarHBondContact O-CB 3.31Å; E94-E98 PolarHBondContact O-N 3.21Å
95	G	81.5	Confident	78.7	Confident	21 Å²	21	50.7 Å²	50.7	22%	0.216	27%	0.27	C	S	.	.	H	α-helix	trans	-48.6	-40.4	-176.1	0	0	0	0	0	115.3	C91 W99	C91-G95 WeakPolarHBondContact O-CA 3.46Å; C91-G95 PolarHBondContact O-N 3.34Å; G95-W99 WeakPolarHBondContact O-CB 3.43Å; G95-W99 PolarHBondContact O-N 2.89Å
96	R	88.9	Confident	79.4	Confident	14 Å²	14	51.1 Å²	51.1	5%	0.053	27%	0.269	C	S	.	.	H	α-helix	trans	-76.4	-36.2	179.3	64.3	176.7	-177.6	-96.4	1.4	114.4	G93 E94 C100 I264 L303	G93-R96 WeakPolarHBondContact O-CG 3.12Å; E94-R96 VanDerWaalsContact C-N 3.25Å; E94-R96 PolarHBondContact O-N 3.25Å; R96-C100 PolarHBondContact O-N 2.85Å; R96-C100 PolarHBondContact O-SG 2.86Å; R96-I264 HydrophobicContact CB-CG2 4.45Å; R96-L303 HydrophobicContact CB-CD2 4.45Å
97	I	92	Very high	80.4	Confident	11 Å²	11	50.7 Å²	50.7	6%	0.056	27%	0.267	C	S	.	.	H	α-helix	trans	-74.9	-45.9	-178.6	-62.2	-56.1	0	0	0	108.9	E94 W99 C100 R101 P165 F166 F169	E94-I97 PolarHBondContact O-N 2.95Å; I97-W99 VanDerWaalsContact C-N 3.29Å; I97-W99 PolarHBondContact O-N 2.81Å; I97-C100 WeakPolarHBondContact O-CB 3.45Å; I97-C100 PolarHBondContact O-N 3.28Å; I97-R101 PolarHBondContact O-N 3.38Å; I97-P165 HydrophobicContact CD1-CB 3.89Å; I97-P165 HydrophobicContact CD1-CG 3.63Å; I97-P165 HydrophobicContact CG1-CB 4Å; I97-P165 HydrophobicContact CG1-CG 4.3Å; I97-P165 HydrophobicContact CG2-CB 4.3Å; I97-F166 HydrophobicContact CD1-CE1 4.45Å; I97-F166 HydrophobicContact CD1-CE2 3.86Å; I97-F166 HydrophobicContact CD1-CZ 3.75Å; I97-F166 HydrophobicContact CG2-CD1 4.09Å; I97-F166 HydrophobicContact CG2-CE1 3.84Å; I97-F166 HydrophobicContact CG2-CZ 4.23Å; I97-F169 HydrophobicContact CG2-CE2 3.54Å; I97-F169 HydrophobicContact CG2-CZ 3.95Å
98	E	92.8	Very high	81.4	Confident	61 Å²	61	49 Å²	49	29%	0.285	26%	0.261	S	S	.	.	H	α-helix	trans	-62.8	-36.2	173.3	-81.1	63	-165.1	0	0	111	E94 R101 S102 K168	E94-E98 WeakPolarHBondContact CA-OE2 3.17Å; E94-E98 WeakPolarHBondContact O-CB 3.31Å; E94-E98 PolarHBondContact O-N 3.21Å; E98-R101 PolarHBondContact O-N 3.49Å; E98-S102 WeakPolarHBondContact O-CB 3.2Å; E98-S102 PolarHBondContact O-N 3.39Å; E98-K168 IonicContact OE1-NZ 3.42Å; E98-K168 PolarHBondContact OE1-NZ 3.01Å
99	W	94.9	Very high	82.8	Confident	13 Å²	13	51.2 Å²	51.2	5%	0.049	26%	0.261	C	S	.	.	H	α-helix	trans	-60	-51	170	178.5	90.9	0	0	0	111.7	G95 I97 R101 S102 V103 L262 I264 I296 L303 A305	G95-W99 WeakPolarHBondContact O-CB 3.43Å; G95-W99 PolarHBondContact O-N 2.89Å; I97-W99 VanDerWaalsContact C-N 3.29Å; I97-W99 PolarHBondContact O-N 2.81Å; W99-R101 VanDerWaalsContact C-N 3.29Å; W99-R101 PolarHBondContact O-N 3.34Å; W99-S102 PolarHBondContact O-N 3.15Å; W99-S102 VanDerWaalsContact O-N 3.14Å; W99-S102 PolarHBondContact O-OG 3.44Å; W99-V103 HydrophobicContact CD2-CG2 3.95Å; W99-V103 HydrophobicContact CE3-CG2 4.35Å; W99-V103 HydrophobicContact CG-CG2 4.49Å; W99-V103 HydrophobicContact CH2-CG2 4.2Å; W99-V103 HydrophobicContact CZ2-CG2 3.79Å; W99-V103 HydrophobicContact CZ3-CG2 4.47Å; W99-V103 WeakPolarHBondContact O-CG2 3.39Å; W99-V103 PolarHBondContact O-N 3.49Å; W99-L262 HydrophobicContact CZ3-CB 4.38Å; W99-L262 HydrophobicContact CZ3-CD2 4.42Å; W99-I264 HydrophobicContact CZ3-CD1 4.38Å; W99-I264 HydrophobicContact CZ3-CG1 4.41Å; W99-I296 VanDerWaalsContact NE1-CD1 3.31Å; W99-L303 HydrophobicContact CB-CD2 3.8Å; W99-L303 HydrophobicContact CD2-CB 3.92Å; W99-L303 HydrophobicContact CD2-CD2 3.36Å; W99-L303 HydrophobicContact CD2-CG 4.27Å; W99-L303 HydrophobicContact CE3-CB 4.03Å; W99-L303 HydrophobicContact CE3-CD2 3.6Å; W99-L303 HydrophobicContact CE3-CG 4.34Å; W99-L303 HydrophobicContact CG-CD2 3.45Å; W99-L303 VanDerWaalsContact CG-CD2 3.45Å; W99-L303 HydrophobicContact CH2-CB 3.74Å; W99-L303 HydrophobicContact CZ2-CB 3.58Å; W99-L303 HydrophobicContact CZ3-CB 3.94Å; W99-L303 HydrophobicContact CZ3-CD2 4.33Å; W99-A305 HydrophobicContact CH2-CB 4.16Å
100	C	96.9	Very high	84.5	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.007	25%	0.253	C	S	.	.	H	α-helix	trans	-55.4	-47.2	177.8	-68.4	0	0	0	0	111.1	R96 I97 S102 V103 C104 F166 L262 I264	R96-C100 PolarHBondContact O-N 2.85Å; R96-C100 PolarHBondContact O-SG 2.86Å; I97-C100 WeakPolarHBondContact O-CB 3.45Å; I97-C100 PolarHBondContact O-N 3.28Å; C100-S102 PolarHBondContact O-N 2.99Å; C100-V103 PolarHBondContact O-N 3.2Å; C100-C104 PolarHBondContact O-N 3.35Å; C100-C104 PolarHBondContact O-SG 2.87Å; C100-F166 HydrophobicContact CB-CE1 3.62Å; C100-F166 HydrophobicContact CB-CZ 3.68Å; C100-L262 HydrophobicContact CB-CD1 3.78Å; C100-I264 WeakPolarHBondContact SG-CD1 3.33Å
101	R	96.3	Very high	86.3	Confident	82 Å²	82	46.8 Å²	46.8	31%	0.309	25%	0.251	S	S	.	.	H	α-helix	trans	-55.6	-51	175.6	-178.4	-175.8	-174.1	173.8	15	111.7	I97 E98 W99 V103 C104 Q105 E171 F172	I97-R101 PolarHBondContact O-N 3.38Å; E98-R101 PolarHBondContact O-N 3.49Å; W99-R101 VanDerWaalsContact C-N 3.29Å; W99-R101 PolarHBondContact O-N 3.34Å; R101-V103 VanDerWaalsContact C-N 3.32Å; R101-V103 PolarHBondContact O-N 2.9Å; R101-C104 PolarHBondContact O-N 3.37Å; R101-Q105 PolarHBondContact O-N 2.73Å; R101-E171 IonicContact CZ-OE1 2.9Å; R101-E171 IonicContact CZ-OE2 3.29Å; R101-E171 IonicContact NE-OE1 2.65Å; R101-E171 PolarHBondContact NE-OE1 3.4Å; R101-E171 IonicContact NE-OE2 3.57Å; R101-E171 IonicContact NH2-OE1 3.43Å; R101-E171 PolarHBondContact NH2-OE1 3.12Å; R101-E171 IonicContact NH2-OE2 3.19Å; R101-E171 PolarHBondContact NH2-OE2 2.81Å; R101-F172 HydrophobicContact CB-CE2 4.2Å; R101-F172 HydrophobicContact CG-CE2 4.05Å; R101-F172 HydrophobicContact CG-CZ 4.47Å
102	S	96.3	Very high	88.5	Confident	51 Å²	51	41.8 Å²	41.8	36%	0.357	22%	0.218	S	C	.	.	H	α-helix	trans	-62	-38.3	-178.8	75.3	0	0	0	0	112.6	E98 W99 C100 Q105 E106	E98-S102 WeakPolarHBondContact O-CB 3.2Å; E98-S102 PolarHBondContact O-N 3.39Å; W99-S102 PolarHBondContact O-N 3.15Å; W99-S102 VanDerWaalsContact O-N 3.14Å; W99-S102 PolarHBondContact O-OG 3.44Å; C100-S102 PolarHBondContact O-N 2.99Å; S102-Q105 PolarHBondContact O-N 3.5Å; S102-E106 VanDerWaalsContact O-CB 3.31Å; S102-E106 WeakPolarHBondContact O-CB 3.43Å; S102-E106 PolarHBondContact O-N 2.76Å
103	V	97.7	Very high	90.4	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.024	20%	0.202	C	C	.	.	H	α-helix	trans	-66.5	-42.6	177.4	173.6	0	0	0	0	111	W99 C100 R101 Y107 L260 L262 K294 A305	W99-V103 HydrophobicContact CD2-CG2 3.95Å; W99-V103 HydrophobicContact CE3-CG2 4.35Å; W99-V103 HydrophobicContact CG-CG2 4.49Å; W99-V103 HydrophobicContact CH2-CG2 4.2Å; W99-V103 HydrophobicContact CZ2-CG2 3.79Å; W99-V103 HydrophobicContact CZ3-CG2 4.47Å; W99-V103 WeakPolarHBondContact O-CG2 3.39Å; W99-V103 PolarHBondContact O-N 3.49Å; C100-V103 PolarHBondContact O-N 3.2Å; R101-V103 VanDerWaalsContact C-N 3.32Å; R101-V103 PolarHBondContact O-N 2.9Å; V103-Y107 WeakPolarHBondContact O-CB 3.37Å; V103-Y107 PolarHBondContact O-N 2.87Å; V103-L260 HydrophobicContact CG1-CD1 4.18Å; V103-L262 HydrophobicContact CG1-CD2 3.92Å; V103-K294 HydrophobicContact CG2-CD 3.96Å; V103-A305 HydrophobicContact CG1-CB 3.93Å
104	C	97.4	Very high	92.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.3	-45.8	175.3	-66.7	0	0	0	0	111.6	C100 R101 Y107 F108 M154 F172	C100-C104 PolarHBondContact O-N 3.35Å; C100-C104 PolarHBondContact O-SG 2.87Å; R101-C104 PolarHBondContact O-N 3.37Å; C104-Y107 PolarHBondContact O-N 3Å; C104-F108 HydrophobicContact CB-CD2 4.36Å; C104-F108 WeakPolarHBondContact O-CB 3.5Å; C104-F108 VanDerWaalsContact O-CD2 3.31Å; C104-F108 WeakPolarHBondContact O-CD2 3.44Å; C104-F108 PolarHBondContact O-N 2.93Å; C104-M154 HydrophobicContact CB-CE 4.17Å; C104-M154 HydrophobicContact CB-SD 3.88Å; C104-F172 HydrophobicContact CB-CE1 3.86Å; C104-F172 HydrophobicContact CB-CZ 3.77Å
105	Q	95.1	Very high	93.9	Very high	77 Å²	77	44.9 Å²	44.9	36%	0.36	22%	0.223	S	C	.	.	H	α-helix	trans	-60.9	-51.7	177.6	-174.1	178.4	-8.7	0	0	111.5	R101 S102 Y107 Q109 D110	R101-Q105 PolarHBondContact O-N 2.73Å; S102-Q105 PolarHBondContact O-N 3.5Å; Q105-Y107 PolarHBondContact O-N 3.26Å; Q105-Q109 HydrophobicContact CG-CB 4.44Å; Q105-Q109 WeakPolarHBondContact O-CA 3.37Å; Q105-Q109 WeakPolarHBondContact O-CB 3.36Å; Q105-Q109 PolarHBondContact O-N 3.19Å; Q105-D110 PolarHBondContact O-N 2.83Å
106	E	95.9	Very high	94.5	Very high	75 Å²	75	45.7 Å²	45.7	35%	0.35	22%	0.221	S	C	.	.	H	α-helix	trans	-56.9	-41.5	179.7	-175.3	-171.5	165.9	0	0	111.5	S102 D110 G112 K294	S102-E106 VanDerWaalsContact O-CB 3.31Å; S102-E106 WeakPolarHBondContact O-CB 3.43Å; S102-E106 PolarHBondContact O-N 2.76Å; E106-D110 WeakPolarHBondContact CA-OD2 3.35Å; E106-D110 CarbonylContact O-C 3.54Å; E106-G112 WeakPolarHBondContact O-CA 3.29Å; E106-G112 PolarHBondContact O-N 2.82Å; E106-K294 IonicContact OE2-NZ 3.12Å; E106-K294 PolarHBondContact OE2-NZ 2.72Å
107	Y	96.1	Very high	94.7	Very high	11 Å²	11	46.7 Å²	46.7	4%	0.043	23%	0.227	C	C	.	.	H	α-helix	trans	-78.2	-50.3	-174.7	-178	-100	0	0	0	113.1	V103 C104 Q105 G112 M113 M116 H258 L260 R307	V103-Y107 WeakPolarHBondContact O-CB 3.37Å; V103-Y107 PolarHBondContact O-N 2.87Å; C104-Y107 PolarHBondContact O-N 3Å; Q105-Y107 PolarHBondContact O-N 3.26Å; Y107-G112 PolarHBondContact O-N 2.61Å; Y107-M113 HydrophobicContact CD1-CB 4.32Å; Y107-M113 HydrophobicContact CD1-CE 4.21Å; Y107-M113 HydrophobicContact CD2-CB 4.25Å; Y107-M113 HydrophobicContact CE1-CB 3.96Å; Y107-M113 HydrophobicContact CE1-CE 3.31Å; Y107-M113 HydrophobicContact CE1-CG 4.2Å; Y107-M113 HydrophobicContact CE2-CB 3.84Å; Y107-M113 HydrophobicContact CE2-CG 4.26Å; Y107-M113 HydrophobicContact CG-CB 4.47Å; Y107-M113 WeakPolarHBondContact O-CB 3.27Å; Y107-M113 PolarHBondContact O-N 3.45Å; Y107-M116 HydrophobicContact CD2-SD 4.12Å; Y107-M116 HydrophobicContact CE2-SD 3.75Å; Y107-H258 VanDerWaalsContact CE1-O 3.29Å; Y107-H258 WeakPolarHBondContact CE1-O 3.44Å; Y107-H258 PolarHBondContact OH-O 2.94Å; Y107-L260 HydrophobicContact CD1-CD1 3.58Å; Y107-L260 HydrophobicContact CD1-CD2 3.78Å; Y107-L260 HydrophobicContact CD1-CG 3.67Å; Y107-L260 HydrophobicContact CD2-CD2 4.18Å; Y107-L260 HydrophobicContact CE1-CD1 4.23Å; Y107-L260 HydrophobicContact CE1-CD2 3.64Å; Y107-L260 HydrophobicContact CE1-CG 3.79Å; Y107-L260 HydrophobicContact CE2-CD2 4.09Å; Y107-L260 HydrophobicContact CG-CD1 3.8Å; Y107-L260 HydrophobicContact CG-CD2 4.03Å; Y107-L260 HydrophobicContact CG-CG 4.22Å; Y107-R307 HydrophobicContact CE2-CG 4.5Å; Y107-R307 WeakPolarHBondContact OH-CD 3.38Å; Y107-R307 WeakPolarHBondContact OH-CG 3.21Å
108	F	94.4	Very high	94.8	Very high	24 Å²	24	49.9 Å²	49.9	11%	0.105	24%	0.242	C	C	.	.	H	α-helix	trans	-87.4	-32.5	-174.2	-67.8	-72.9	0	0	0	113.6	C104 M113 L151 M154 H227 V228 L260	C104-F108 HydrophobicContact CB-CD2 4.36Å; C104-F108 WeakPolarHBondContact O-CB 3.5Å; C104-F108 VanDerWaalsContact O-CD2 3.31Å; C104-F108 WeakPolarHBondContact O-CD2 3.44Å; C104-F108 PolarHBondContact O-N 2.93Å; F108-M113 HydrophobicContact CD1-CE 3.63Å; F108-M113 HydrophobicContact CE1-CE 3.44Å; F108-M113 VanDerWaalsContact CE1-CE 3.44Å; F108-L151 HydrophobicContact CD1-CD2 4.33Å; F108-M154 HydrophobicContact CB-SD 4.06Å; F108-M154 HydrophobicContact CD2-SD 3.64Å; F108-M154 HydrophobicContact CE2-SD 4.46Å; F108-M154 HydrophobicContact CG-SD 4.12Å; F108-H227 HydrophobicContact CE1-CB 4.38Å; F108-H227 HydrophobicContact CZ-CB 4.05Å; F108-V228 HydrophobicContact CE2-CG2 3.65Å; F108-V228 HydrophobicContact CZ-CG2 4.22Å; F108-L260 HydrophobicContact CD2-CD1 4.48Å; F108-L260 HydrophobicContact CE2-CD1 3.76Å; F108-L260 HydrophobicContact CE2-CG 3.9Å; F108-L260 HydrophobicContact CZ-CD1 4.32Å; F108-L260 HydrophobicContact CZ-CG 3.97Å
109	Q	91.1	Very high	94.9	Very high	107 Å²	107	53.8 Å²	53.8	50%	0.5	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-40	-171.6	-57	-179.2	13.3	0	0	112	Q105 G111	Q105-Q109 HydrophobicContact CG-CB 4.44Å; Q105-Q109 WeakPolarHBondContact O-CA 3.37Å; Q105-Q109 WeakPolarHBondContact O-CB 3.36Å; Q105-Q109 PolarHBondContact O-N 3.19Å; Q109-G111 PolarHBondContact O-N 3.21Å
110	D	93.9	Very high	94.7	Very high	88 Å²	88	54.8 Å²	54.8	47%	0.471	27%	0.265	S	S	.	.	S	Bend	trans	-92.3	29.4	-175.7	-49.8	-35	0	0	0	113.2	Q105 E106 G112 R115	Q105-D110 PolarHBondContact O-N 2.83Å; E106-D110 WeakPolarHBondContact CA-OD2 3.35Å; E106-D110 CarbonylContact O-C 3.54Å; D110-G112 PolarHBondContact O-N 3.31Å; D110-G112 VanDerWaalsContact O-N 3.14Å; D110-R115 PolarHBondContact O-NH2 3.24Å; D110-R115 VanDerWaalsContact O-NH2 3.17Å
111	G	91.7	Very high	94.5	Very high	34 Å²	34	57.5 Å²	57.5	35%	0.351	28%	0.277	S	S	.	.	S	Bend	trans	66.9	13.5	175.6	0	0	0	0	0	115.4	Q109 M113 K114 R115	Q109-G111 PolarHBondContact O-N 3.21Å; G111-M113 PolarHBondContact O-N 3.26Å; G111-K114 PolarHBondContact O-N 3.25Å; G111-R115 WeakPolarHBondContact O-CG 3.12Å; G111-R115 PolarHBondContact O-N 3.26Å; G111-R115 VanDerWaalsContact O-N 3.13Å; G111-R115 PolarHBondContact O-NE 3.24Å
112	G	95.1	Very high	94.3	Very high	8 Å²	8	60.5 Å²	60.5	8%	0.082	29%	0.292	C	S	.	.	H	α-helix	trans	-58.5	-44.7	177.4	0	0	0	0	0	112.8	E106 Y107 D110 K114 R115 M116	E106-G112 WeakPolarHBondContact O-CA 3.29Å; E106-G112 PolarHBondContact O-N 2.82Å; Y107-G112 PolarHBondContact O-N 2.61Å; D110-G112 PolarHBondContact O-N 3.31Å; D110-G112 VanDerWaalsContact O-N 3.14Å; G112-K114 PolarHBondContact O-N 3.17Å; G112-R115 PolarHBondContact O-N 2.92Å; G112-M116 WeakPolarHBondContact O-CG 3.35Å; G112-M116 PolarHBondContact O-N 3.37Å
113	M	94.1	Very high	94.1	Very high	11 Å²	11	61.2 Å²	61.2	5%	0.054	30%	0.297	C	S	.	.	H	α-helix	trans	-58.4	-48.4	177.2	-179.3	-174.2	-71.7	0	0	111.6	Y107 F108 G111 R115 M116 L117 I148 H258	Y107-M113 HydrophobicContact CD1-CB 4.32Å; Y107-M113 HydrophobicContact CD1-CE 4.21Å; Y107-M113 HydrophobicContact CD2-CB 4.25Å; Y107-M113 HydrophobicContact CE1-CB 3.96Å; Y107-M113 HydrophobicContact CE1-CE 3.31Å; Y107-M113 HydrophobicContact CE1-CG 4.2Å; Y107-M113 HydrophobicContact CE2-CB 3.84Å; Y107-M113 HydrophobicContact CE2-CG 4.26Å; Y107-M113 HydrophobicContact CG-CB 4.47Å; Y107-M113 WeakPolarHBondContact O-CB 3.27Å; Y107-M113 PolarHBondContact O-N 3.45Å; F108-M113 HydrophobicContact CD1-CE 3.63Å; F108-M113 HydrophobicContact CE1-CE 3.44Å; F108-M113 VanDerWaalsContact CE1-CE 3.44Å; G111-M113 PolarHBondContact O-N 3.26Å; M113-R115 VanDerWaalsContact C-N 3.35Å; M113-R115 PolarHBondContact O-N 3.22Å; M113-M116 PolarHBondContact O-N 2.97Å; M113-M116 VanDerWaalsContact O-N 3.13Å; M113-L117 HydrophobicContact CG-CD1 3.96Å; M113-L117 HydrophobicContact CG-CG 4.35Å; M113-L117 WeakPolarHBondContact O-CG 3.45Å; M113-L117 PolarHBondContact O-N 3.42Å; M113-L117 HydrophobicContact SD-CD1 4.46Å; M113-I148 HydrophobicContact SD-CD1 3.39Å; M113-I148 WeakPolarHBondContact SD-CD1 3.42Å; M113-I148 HydrophobicContact SD-CG1 4.04Å; M113-I148 HydrophobicContact SD-CG2 4.48Å; M113-H258 HydrophobicContact CE-CB 3.81Å; M113-H258 HydrophobicContact SD-CB 4.13Å
114	K	93.8	Very high	93.7	Very high	109 Å²	109	63.4 Å²	63.4	47%	0.474	32%	0.316	S	S	.	.	H	α-helix	trans	-56.5	-49.2	178.5	179.4	178.9	172.3	-179	0	111	G111 G112 M116 L117 E118 I144	G111-K114 PolarHBondContact O-N 3.25Å; G112-K114 PolarHBondContact O-N 3.17Å; K114-M116 VanDerWaalsContact C-N 3.28Å; K114-M116 PolarHBondContact O-N 3.3Å; K114-L117 PolarHBondContact O-N 3.16Å; K114-E118 WeakPolarHBondContact CE-OE1 3.33Å; K114-E118 HydrophobicContact CG-CG 4.49Å; K114-E118 WeakPolarHBondContact CG-OE1 3.4Å; K114-E118 IonicContact NZ-OE1 3.75Å; K114-E118 WeakPolarHBondContact O-CG 3.45Å; K114-E118 PolarHBondContact O-N 2.94Å; K114-I144 HydrophobicContact CD-CD1 4.18Å; K114-I144 HydrophobicContact CG-CD1 4.15Å
115	R	95.1	Very high	93.4	Very high	141 Å²	141	70.8 Å²	70.8	53%	0.532	34%	0.344	S	S	.	.	H	α-helix	trans	-57.7	-39.9	177.2	-71.7	-178.1	-76.9	177.7	-2.4	112.3	D110 G111 G112 M113 K119	D110-R115 PolarHBondContact O-NH2 3.24Å; D110-R115 VanDerWaalsContact O-NH2 3.17Å; G111-R115 WeakPolarHBondContact O-CG 3.12Å; G111-R115 PolarHBondContact O-N 3.26Å; G111-R115 VanDerWaalsContact O-N 3.13Å; G111-R115 PolarHBondContact O-NE 3.24Å; G112-R115 PolarHBondContact O-N 2.92Å; M113-R115 VanDerWaalsContact C-N 3.35Å; M113-R115 PolarHBondContact O-N 3.22Å; R115-K119 WeakPolarHBondContact O-CB 3.39Å; R115-K119 PolarHBondContact O-N 3.15Å; R115-K119 VanDerWaalsContact O-N 3.07Å
116	M	94.4	Very high	93.1	Very high	38 Å²	38	72.4 Å²	72.4	19%	0.187	35%	0.354	C	S	.	.	H	α-helix	trans	-70.3	-40.7	178.2	-68	-163.3	84.1	0	0	113	Y107 G112 M113 K114 K119 D120 C293	Y107-M116 HydrophobicContact CD2-SD 4.12Å; Y107-M116 HydrophobicContact CE2-SD 3.75Å; G112-M116 WeakPolarHBondContact O-CG 3.35Å; G112-M116 PolarHBondContact O-N 3.37Å; M113-M116 PolarHBondContact O-N 2.97Å; M113-M116 VanDerWaalsContact O-N 3.13Å; K114-M116 VanDerWaalsContact C-N 3.28Å; K114-M116 PolarHBondContact O-N 3.3Å; M116-K119 WeakPolarHBondContact O-CB 3.28Å; M116-K119 PolarHBondContact O-N 3.34Å; M116-D120 PolarHBondContact O-N 3.33Å; M116-C293 HydrophobicContact CE-CB 3.37Å; M116-C293 HydrophobicContact SD-CB 3.46Å; M116-C293 WeakPolarHBondContact SD-CB 3.22Å
117	L	93.8	Very high	92.7	Very high	34 Å²	34	71.3 Å²	71.3	18%	0.178	36%	0.358	C	S	.	.	H	α-helix	trans	-64.6	-45	177	-68.7	172.2	0	0	0	111.4	M113 K114 K119 D120 E121	M113-L117 HydrophobicContact CG-CD1 3.96Å; M113-L117 HydrophobicContact CG-CG 4.35Å; M113-L117 WeakPolarHBondContact O-CG 3.45Å; M113-L117 PolarHBondContact O-N 3.42Å; M113-L117 HydrophobicContact SD-CD1 4.46Å; K114-L117 PolarHBondContact O-N 3.16Å; L117-K119 VanDerWaalsContact C-N 3.27Å; L117-K119 PolarHBondContact O-N 2.89Å; L117-D120 PolarHBondContact O-N 3.14Å; L117-E121 PolarHBondContact O-N 3.47Å
118	E	94.5	Very high	92.2	Very high	78 Å²	78	76 Å²	76	36%	0.364	38%	0.381	S	S	.	.	H	α-helix	trans	-60	-38.1	174.5	-71.5	173.4	179.1	0	0	111.8	K114 K122	K114-E118 WeakPolarHBondContact CE-OE1 3.33Å; K114-E118 HydrophobicContact CG-CG 4.49Å; K114-E118 WeakPolarHBondContact CG-OE1 3.4Å; K114-E118 IonicContact NZ-OE1 3.75Å; K114-E118 WeakPolarHBondContact O-CG 3.45Å; K114-E118 PolarHBondContact O-N 2.94Å; E118-K122 VanDerWaalsContact O-CG 3.29Å; E118-K122 WeakPolarHBondContact O-CG 3.39Å; E118-K122 PolarHBondContact O-N 3.23Å
119	K	93.4	Very high	91.7	Very high	144 Å²	144	78.4 Å²	78.4	63%	0.626	41%	0.406	S	S	*	.	H	α-helix	trans	-64	-45.5	174.8	-176.2	179.4	178.8	177.9	0	111.6	R115 M116 L117 E121 K122 S123	R115-K119 WeakPolarHBondContact O-CB 3.39Å; R115-K119 PolarHBondContact O-N 3.15Å; R115-K119 VanDerWaalsContact O-N 3.07Å; M116-K119 WeakPolarHBondContact O-CB 3.28Å; M116-K119 PolarHBondContact O-N 3.34Å; L117-K119 VanDerWaalsContact C-N 3.27Å; L117-K119 PolarHBondContact O-N 2.89Å; K119-E121 VanDerWaalsContact C-N 3.32Å; K119-E121 PolarHBondContact O-N 3.27Å; K119-K122 PolarHBondContact O-N 3.04Å; K119-S123 PolarHBondContact O-N 2.59Å; K119-S123 PolarHBondContact O-OG 3.11Å
120	D	91.6	Very high	91.1	Very high	34 Å²	34	80.7 Å²	80.7	18%	0.182	42%	0.418	C	S	.	.	H	α-helix	trans	-62.3	-42.6	178.3	-56.7	-38.3	0	0	0	111.6	M116 L117 S123 A124 R291 R307	M116-D120 PolarHBondContact O-N 3.33Å; L117-D120 PolarHBondContact O-N 3.14Å; D120-S123 PolarHBondContact O-N 2.99Å; D120-A124 WeakPolarHBondContact O-CB 3.49Å; D120-A124 PolarHBondContact O-N 2.99Å; D120-R291 IonicContact OD1-CZ 2.69Å; D120-R291 IonicContact OD1-NH1 2.64Å; D120-R291 PolarHBondContact OD1-NH1 3.49Å; D120-R307 IonicContact OD1-NH2 2.61Å; D120-R307 PolarHBondContact OD1-NH2 3.47Å; D120-R307 IonicContact OD2-CZ 3.63Å; D120-R307 IonicContact OD2-NH1 3.8Å; D120-R307 PolarHBondContact OD2-NH1 2.69Å; D120-R307 IonicContact OD2-NH2 2.83Å; D120-R307 PolarHBondContact OD2-NH2 2.85Å
121	E	92.2	Very high	90.1	Very high	57 Å²	57	81.7 Å²	81.7	27%	0.266	43%	0.432	S	S	.	.	H	α-helix	trans	-62.4	-45	179.4	-176.7	174.9	-176.6	0	0	111	L117 K119 S123 A124 R125 S142	L117-E121 PolarHBondContact O-N 3.47Å; K119-E121 VanDerWaalsContact C-N 3.32Å; K119-E121 PolarHBondContact O-N 3.27Å; E121-S123 VanDerWaalsContact C-N 3.35Å; E121-S123 PolarHBondContact O-N 3.45Å; E121-A124 PolarHBondContact O-N 2.66Å; E121-R125 WeakPolarHBondContact O-CB 3.37Å; E121-R125 VanDerWaalsContact O-CG 3.28Å; E121-R125 WeakPolarHBondContact O-CG 3.4Å; E121-R125 PolarHBondContact O-N 2.78Å; E121-R125 IonicContact OE1-CZ 3.35Å; E121-R125 IonicContact OE1-NE 3.39Å; E121-R125 PolarHBondContact OE1-NE 3Å; E121-R125 IonicContact OE1-NH2 2.66Å; E121-R125 PolarHBondContact OE1-NH2 3.07Å; E121-S142 PolarHBondContact OE2-OG 3.44Å
122	K	93.2	Very high	88.6	Confident	146 Å²	146	83.1 Å²	83.1	64%	0.635	44%	0.441	S	S	*	.	H	α-helix	trans	-59.2	-45.1	173.7	-73.2	172.2	-176.7	176.2	0	111.7	E118 K119 R125 L126	E118-K122 VanDerWaalsContact O-CG 3.29Å; E118-K122 WeakPolarHBondContact O-CG 3.39Å; E118-K122 PolarHBondContact O-N 3.23Å; K119-K122 PolarHBondContact O-N 3.04Å; K122-R125 PolarHBondContact O-N 3.2Å; K122-L126 PolarHBondContact O-N 2.76Å
123	S	90.8	Very high	86.6	Confident	66 Å²	66	89.7 Å²	89.7	46%	0.462	48%	0.48	S	S	.	.	H	α-helix	trans	-64.8	-39.9	177.4	-66.3	0	0	0	0	112.8	K119 D120 E121 L126 A127	K119-S123 PolarHBondContact O-N 2.59Å; K119-S123 PolarHBondContact O-OG 3.11Å; D120-S123 PolarHBondContact O-N 2.99Å; E121-S123 VanDerWaalsContact C-N 3.35Å; E121-S123 PolarHBondContact O-N 3.45Å; S123-L126 PolarHBondContact O-N 3.01Å; S123-A127 WeakPolarHBondContact O-CB 3.33Å; S123-A127 PolarHBondContact O-N 2.97Å
124	A	89.9	Confident	84.7	Confident	49 Å²	49	93.2 Å²	93.2	41%	0.405	51%	0.51	S	S	.	.	H	α-helix	trans	-66.5	-42.3	177.2	0	0	0	0	0	111.7	D120 E121 A127 M128	D120-A124 WeakPolarHBondContact O-CB 3.49Å; D120-A124 PolarHBondContact O-N 2.99Å; E121-A124 PolarHBondContact O-N 2.66Å; A124-A127 PolarHBondContact O-N 2.85Å; A124-M128 HydrophobicContact CB-CE 4.35Å; A124-M128 WeakPolarHBondContact O-CB 3.46Å; A124-M128 WeakPolarHBondContact O-CE 3.37Å; A124-M128 WeakPolarHBondContact O-CG 2.97Å; A124-M128 PolarHBondContact O-N 2.87Å
125	R	91.1	Very high	82.6	Confident	156 Å²	156	96.4 Å²	96.4	59%	0.589	53%	0.531	S	S	*	.	H	α-helix	trans	-60.5	-43.9	173.7	-71.8	175.6	-175	-159.6	3.2	111.7	E121 K122 M128 A129	E121-R125 WeakPolarHBondContact O-CB 3.37Å; E121-R125 VanDerWaalsContact O-CG 3.28Å; E121-R125 WeakPolarHBondContact O-CG 3.4Å; E121-R125 PolarHBondContact O-N 2.78Å; E121-R125 IonicContact OE1-CZ 3.35Å; E121-R125 IonicContact OE1-NE 3.39Å; E121-R125 PolarHBondContact OE1-NE 3Å; E121-R125 IonicContact OE1-NH2 2.66Å; E121-R125 PolarHBondContact OE1-NH2 3.07Å; K122-R125 PolarHBondContact O-N 3.2Å; R125-M128 PolarHBondContact O-N 2.89Å; R125-A129 WeakPolarHBondContact O-CB 3.26Å; R125-A129 PolarHBondContact O-N 2.78Å
126	L	89.5	Confident	80.2	Confident	110 Å²	110	94.5 Å²	94.5	58%	0.576	54%	0.54	S	S	*	.	H	α-helix	trans	-64.2	-45.1	177	-174.4	66.4	0	0	0	111.8	K122 S123 M128 A129 M130	K122-L126 PolarHBondContact O-N 2.76Å; S123-L126 PolarHBondContact O-N 3.01Å; L126-M128 PolarHBondContact O-N 2.87Å; L126-A129 PolarHBondContact O-N 3.37Å; L126-M130 HydrophobicContact CG-SD 4.32Å; L126-M130 WeakPolarHBondContact O-CG 3.44Å; L126-M130 PolarHBondContact O-N 3.3Å
127	A	87.9	Confident	78	Confident	52 Å²	52	101 Å²	101	43%	0.43	58%	0.575	S	S	.	*	H	α-helix	trans	-60.8	-43.2	176.8	0	0	0	0	0	111.9	S123 A124 M130 S131	S123-A127 WeakPolarHBondContact O-CB 3.33Å; S123-A127 PolarHBondContact O-N 2.97Å; A124-A127 PolarHBondContact O-N 2.85Å; A127-M130 PolarHBondContact O-N 3.37Å; A127-S131 WeakPolarHBondContact O-CB 3.38Å; A127-S131 PolarHBondContact O-N 3.35Å; A127-S131 PolarHBondContact O-OG 2.98Å
128	M	85.1	Confident	75.7	Confident	110 Å²	110	106.1 Å²	106.1	54%	0.542	60%	0.598	S	S	.	*	H	α-helix	trans	-62.5	-41.7	174.3	-76.1	-173.3	-82.8	0	0	112.2	A124 R125 L126 M130 S131 A132	A124-M128 HydrophobicContact CB-CE 4.35Å; A124-M128 WeakPolarHBondContact O-CB 3.46Å; A124-M128 WeakPolarHBondContact O-CE 3.37Å; A124-M128 WeakPolarHBondContact O-CG 2.97Å; A124-M128 PolarHBondContact O-N 2.87Å; R125-M128 PolarHBondContact O-N 2.89Å; L126-M128 PolarHBondContact O-N 2.87Å; M128-M130 VanDerWaalsContact C-N 3.29Å; M128-M130 PolarHBondContact O-N 3.06Å; M128-S131 PolarHBondContact O-N 3.41Å; M128-A132 PolarHBondContact O-N 2.88Å; M128-A132 VanDerWaalsContact O-N 3.08Å
129	A	83.7	Confident	73.1	Confident	75 Å²	75	108 Å²	108	62%	0.62	62%	0.618	S	S	*	*	H	α-helix	trans	-64.7	-32	176.6	0	0	0	0	0	113	R125 L126	R125-A129 WeakPolarHBondContact O-CB 3.26Å; R125-A129 PolarHBondContact O-N 2.78Å; L126-A129 PolarHBondContact O-N 3.37Å
130	M	78.6	Confident	70.7	Confident	154 Å²	154	110.5 Å²	110.5	76%	0.759	62%	0.624	S	S	*	*	H	α-helix	trans	-79.7	-21.2	175.2	-67.7	-179.2	75.2	0	0	113.4	L126 A127 M128	L126-M130 HydrophobicContact CG-SD 4.32Å; L126-M130 WeakPolarHBondContact O-CG 3.44Å; L126-M130 PolarHBondContact O-N 3.3Å; A127-M130 PolarHBondContact O-N 3.37Å; M128-M130 VanDerWaalsContact C-N 3.29Å; M128-M130 PolarHBondContact O-N 3.06Å
131	S	72.6	Confident	68.4	Low	110 Å²	110	113.8 Å²	113.8	77%	0.769	65%	0.65	S	S	*	*	H	α-helix	trans	-102.8	-8.8	-176.1	-65.2	0	0	0	0	115.2	A127 M128	A127-S131 WeakPolarHBondContact O-CB 3.38Å; A127-S131 PolarHBondContact O-N 3.35Å; A127-S131 PolarHBondContact O-OG 2.98Å; M128-S131 PolarHBondContact O-N 3.41Å
132	A	59.7	Low	66.3	Low	63 Å²	63	114.6 Å²	114.6	52%	0.521	66%	0.662	S	S	.	*			trans	-133.4	118.3	-178.2	0	0	0	0	0	114.6	M128 A134	M128-A132 PolarHBondContact O-N 2.88Å; M128-A132 VanDerWaalsContact O-N 3.08Å; A132-A134 PolarHBondContact O-N 3.05Å; A132-A134 VanDerWaalsContact O-N 3.12Å
133	T	53.4	Low	64	Low	147 Å²	147	111.9 Å²	111.9	90%	0.902	66%	0.662	S	S	*	*	S	Bend	trans	-48.4	101.2	134.1	31.5	0	0	0	0	109.9
134	A	54.7	Low	62.2	Low	84 Å²	84	112.2 Å²	112.2	69%	0.694	66%	0.657	S	S	*	*	S	Bend	trans	43.3	136	153.3	0	0	0	0	0	121.9	A132	A132-A134 PolarHBondContact O-N 3.05Å; A132-A134 VanDerWaalsContact O-N 3.12Å
135	L	48.6	Very low	60.4	Low	176 Å²	176	112.1 Å²	112.1	92%	0.921	65%	0.653	S	S	*	*			trans	90.8	90	153.5	-55.7	171.8	0	0	0	118.5
136	S	45.8	Very low	58.2	Low	101 Å²	101	115.8 Å²	115.8	71%	0.706	67%	0.667	S	S	*	*				-171.2	102.1	127	-180	0	0	0	0	109.5	Q138	S136-Q138 VanDerWaalsContact C-N 3.31Å; S136-Q138 PolarHBondContact O-N 3.44Å
137	D	48	Very low	56.3	Low	175 Å²	175	114.2 Å²	114.2	94%	0.936	66%	0.664	S	S	*	*			trans	-74.1	86.6	166.1	-99.6	-21.8	0	0	0	108.4
138	Q	44.5	Very low	54.6	Low	142 Å²	142	113.6 Å²	113.6	66%	0.664	65%	0.653	S	S	*	*			trans	-106.8	112	162.7	-83.1	-88.1	-27.1	0	0	107.4	S136 Y140	S136-Q138 VanDerWaalsContact C-N 3.31Å; S136-Q138 PolarHBondContact O-N 3.44Å; Q138-Y140 PolarHBondContact O-N 2.97Å
139	P	41.6	Very low	52.8	Low	118 Å²	118	115.4 Å²	115.4	77%	0.766	67%	0.665	S	S	*	*			trans	-68.6	99.9	173.8	26.5	-30	0	0	0	108.4	S141	P139-S141 VanDerWaalsContact C-N 3.27Å; P139-S141 PolarHBondContact O-N 3.43Å
140	Y	42.2	Very low	51.4	Low	195 Å²	195	120.4 Å²	120.4	77%	0.765	68%	0.675	S	S	*	*			trans	-62.1	96.7	161	-79.1	-88.7	0	0	0	107	Q138 S142	Q138-Y140 PolarHBondContact O-N 2.97Å; Y140-S142 PolarHBondContact O-N 3.25Å
141	S	43.3	Very low	50.6	Low	103 Å²	103	115.9 Å²	115.9	72%	0.72	65%	0.654	S	S	*	*			trans	-67.5	88.1	168.5	-175.4	0	0	0	0	107.6	P139 S143	P139-S141 VanDerWaalsContact C-N 3.27Å; P139-S141 PolarHBondContact O-N 3.43Å; S141-S143 PolarHBondContact O-N 3.47Å
142	S	48.9	Very low	50.8	Low	75 Å²	75	113.2 Å²	113.2	52%	0.524	64%	0.644	S	S	.	*			trans	-71.9	60.8	164.3	47.8	0	0	0	0	108.4	E121 Y140 I144	E121-S142 PolarHBondContact OE2-OG 3.44Å; Y140-S142 PolarHBondContact O-N 3.25Å; S142-I144 PolarHBondContact O-N 3.39Å
143	S	44.6	Very low	52.3	Low	89 Å²	89	113.9 Å²	113.9	62%	0.622	64%	0.635	S	S	*	*			trans	-57.9	115.3	173.3	60.6	0	0	0	0	107.5	S141 P145	S141-S143 PolarHBondContact O-N 3.47Å; S143-P145 WeakPolarHBondContact O-CD 3.15Å
144	I	53	Low	54.2	Low	72 Å²	72	107 Å²	107	37%	0.369	59%	0.593	S	S	.	*			trans	-45.5	120.3	167.7	-61.1	175.4	0	0	0	105.8	K114 S142 R146 I148	K114-I144 HydrophobicContact CD-CD1 4.18Å; K114-I144 HydrophobicContact CG-CD1 4.15Å; S142-I144 PolarHBondContact O-N 3.39Å; I144-R146 PolarHBondContact O-N 3.31Å; I144-I148 HydrophobicContact CG2-CB 4.35Å; I144-I148 HydrophobicContact CG2-CD1 3.72Å
145	P	52.5	Low	56.2	Low	48 Å²	48	104.1 Å²	104.1	31%	0.312	56%	0.564	S	S	.	*			trans	-47.4	122.4	179.6	-29.7	32	0	0	0	109.7	S143 S147 I148	S143-P145 WeakPolarHBondContact O-CD 3.15Å; P145-S147 VanDerWaalsContact CB-OG 3.26Å; P145-S147 WeakPolarHBondContact CB-OG 3.36Å; P145-S147 PolarHBondContact O-N 2.84Å; P145-I148 HydrophobicContact CB-CD1 3.9Å; P145-I148 HydrophobicContact CB-CG1 4.32Å; P145-I148 HydrophobicContact CG-CD1 3.91Å; P145-I148 PolarHBondContact O-N 2.99Å
146	R	44.3	Very low	58.6	Low	233 Å²	233	95.7 Å²	95.7	88%	0.879	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-54.3	-19.3	178.2	-77	-179.8	175.1	164.9	-1.7	112.1	I144 I148	I144-R146 PolarHBondContact O-N 3.31Å; R146-I148 PolarHBondContact O-N 3.15Å
147	S	49.7	Very low	61.1	Low	76 Å²	76	90.9 Å²	90.9	53%	0.531	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-60	-23.4	172.3	53.6	0	0	0	0	114.6	P145 L151	P145-S147 VanDerWaalsContact CB-OG 3.26Å; P145-S147 WeakPolarHBondContact CB-OG 3.36Å; P145-S147 PolarHBondContact O-N 2.84Å; S147-L151 WeakPolarHBondContact O-CD1 3.37Å
148	I	51	Low	63.5	Low	39 Å²	39	82.7 Å²	82.7	20%	0.2	44%	0.442	C	S	.	.	G	3₁₀ helix	trans	-82	-28.6	-173.4	-62.9	156.4	0	0	0	112.7	M113 I144 P145 R146 Q150	M113-I148 HydrophobicContact SD-CD1 3.39Å; M113-I148 WeakPolarHBondContact SD-CD1 3.42Å; M113-I148 HydrophobicContact SD-CG1 4.04Å; M113-I148 HydrophobicContact SD-CG2 4.48Å; I144-I148 HydrophobicContact CG2-CB 4.35Å; I144-I148 HydrophobicContact CG2-CD1 3.72Å; P145-I148 HydrophobicContact CB-CD1 3.9Å; P145-I148 HydrophobicContact CB-CG1 4.32Å; P145-I148 HydrophobicContact CG-CD1 3.91Å; P145-I148 PolarHBondContact O-N 2.99Å; R146-I148 PolarHBondContact O-N 3.15Å; I148-Q150 PolarHBondContact O-N 3.14Å
149	L	48.2	Very low	66.1	Low	149 Å²	149	76 Å²	76	78%	0.78	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-79	-6.3	-176	-68.5	169.6	0	0	0	113.6
150	Q	54.6	Low	68.7	Low	179 Å²	179	71.8 Å²	71.8	84%	0.836	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-136.6	38.1	177.5	-70.9	-177.8	-35.7	0	0	110.9	I148 G152	I148-Q150 PolarHBondContact O-N 3.14Å; Q150-G152 PolarHBondContact O-N 3.38Å
151	L	62	Low	71.1	Confident	59 Å²	59	62.8 Å²	62.8	31%	0.309	35%	0.354	S	S	.	.			trans	-63.6	115.7	175.3	-133.8	80.8	0	0	0	107.9	F108 S147 M154	F108-L151 HydrophobicContact CD1-CD2 4.33Å; S147-L151 WeakPolarHBondContact O-CD1 3.37Å; L151-M154 HydrophobicContact CD2-CG 3.9Å
152	G	77.1	Confident	73.3	Confident	55 Å²	55	58.3 Å²	58.3	57%	0.567	32%	0.323	S	S	*	.			trans	-66.6	-138.6	164.6	0	0	0	0	0	110.1	Q150 M154	Q150-G152 PolarHBondContact O-N 3.38Å; G152-M154 PolarHBondContact O-N 3.17Å
153	K	90.3	Very high	75.2	Confident	77 Å²	77	58 Å²	58	34%	0.335	31%	0.313	S	S	.	.	S	Bend	trans	-66.2	137.8	174.3	-64.1	-168.3	177.9	-142.6	0	110.8	R155 D170 E171 L173	K153-R155 PolarHBondContact O-N 3.22Å; K153-R155 VanDerWaalsContact O-N 3.16Å; K153-D170 WeakPolarHBondContact CD-O 3.39Å; K153-D170 WeakPolarHBondContact CE-O 3.32Å; K153-D170 WeakPolarHBondContact CG-O 3.48Å; K153-D170 PolarHBondContact NZ-O 3.47Å; K153-D170 IonicContact NZ-OD1 3.98Å; K153-E171 CarbonylContact C-O 3.59Å; K153-E171 WeakPolarHBondContact CA-O 3.27Å; K153-L173 HydrophobicContact CB-CB 3.96Å
154	M	93.9	Very high	77.4	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	110.6	173.8	-72.3	177.8	-72.7	0	0	109.6	C104 F108 L151 G152 L156 E171 F172 L173	C104-M154 HydrophobicContact CB-CE 4.17Å; C104-M154 HydrophobicContact CB-SD 3.88Å; F108-M154 HydrophobicContact CB-SD 4.06Å; F108-M154 HydrophobicContact CD2-SD 3.64Å; F108-M154 HydrophobicContact CE2-SD 4.46Å; F108-M154 HydrophobicContact CG-SD 4.12Å; L151-M154 HydrophobicContact CD2-CG 3.9Å; G152-M154 PolarHBondContact O-N 3.17Å; M154-L156 PolarHBondContact O-N 3.04Å; M154-L156 VanDerWaalsContact O-N 3.16Å; M154-E171 HydrophobicContact CE-CB 3.89Å; M154-E171 HydrophobicContact CE-CG 3.76Å; M154-E171 PolarHBondContact N-O 2.87Å; M154-F172 HydrophobicContact CB-CD1 3.6Å; M154-F172 HydrophobicContact CB-CE1 3.9Å; M154-F172 HydrophobicContact CE-CD1 3.88Å; M154-F172 HydrophobicContact CE-CE1 3.32Å; M154-F172 HydrophobicContact CE-CZ 3.79Å; M154-F172 CarbonylContact O-C 3.45Å; M154-F172 WeakPolarHBondContact O-CA 3.46Å; M154-F172 HydrophobicContact SD-CE1 3.9Å; M154-L173 PolarHBondContact O-N 3.47Å
155	R	96.3	Very high	79.2	Confident	24 Å²	24	51.8 Å²	51.8	9%	0.091	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	112	169.5	-62.6	173.4	-67.4	-167.2	3.6	110.8	K153 L173 L211 L225 F226 H227 V228 E256	K153-R155 PolarHBondContact O-N 3.22Å; K153-R155 VanDerWaalsContact O-N 3.16Å; R155-L173 WeakPolarHBondContact CA-O 3.41Å; R155-L173 HydrophobicContact CG-CD2 4.31Å; R155-L211 HydrophobicContact CB-CD1 4.31Å; R155-L211 HydrophobicContact CG-CD1 3.77Å; R155-L225 WeakPolarHBondContact CD-O 3.32Å; R155-L225 PolarHBondContact NE-O 3.03Å; R155-F226 HydrophobicContact CB-CD1 4.25Å; R155-H227 PolarHBondContact N-ND1 3.46Å; R155-H227 PolarHBondContact NE-CE1 3.32Å; R155-H227 PolarHBondContact NE-NE2 3.34Å; R155-H227 PolarHBondContact NH2-NE2 3.07Å; R155-H227 PolarHBondContact O-N 3.19Å; R155-V228 PolarHBondContact O-N 2.93Å; R155-V228 VanDerWaalsContact O-N 3.16Å; R155-E256 IonicContact CZ-OE1 2.87Å; R155-E256 IonicContact NH1-OE1 3.62Å; R155-E256 IonicContact NH2-OE1 2.82Å; R155-E256 PolarHBondContact NH2-OE1 2.82Å; R155-E256 IonicContact NH2-OE2 2.99Å; R155-E256 PolarHBondContact NH2-OE2 3.42Å
156	L	98.3	Very high	81.2	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	129.2	-177	-177.1	150.8	0	0	0	109.9	M154 D158 F166 F172 L173 T174 V175 V228 V230	M154-L156 PolarHBondContact O-N 3.04Å; M154-L156 VanDerWaalsContact O-N 3.16Å; L156-D158 HydrophobicContact CD2-CB 3.95Å; L156-F166 HydrophobicContact CD1-CD1 4.13Å; L156-F166 HydrophobicContact CD1-CE1 4.41Å; L156-F166 HydrophobicContact CD1-CG 4.3Å; L156-F166 HydrophobicContact CD2-CB 4.22Å; L156-F166 HydrophobicContact CD2-CD2 3.97Å; L156-F166 HydrophobicContact CD2-CG 4.04Å; L156-F172 HydrophobicContact CB-CB 4.47Å; L156-F172 HydrophobicContact CB-CD1 3.97Å; L156-F172 HydrophobicContact CB-CG 4.41Å; L156-F172 HydrophobicContact CD1-CD1 3.74Å; L156-F172 HydrophobicContact CD1-CD2 4.42Å; L156-F172 HydrophobicContact CD1-CE1 3.76Å; L156-F172 HydrophobicContact CD1-CE2 4.45Å; L156-F172 HydrophobicContact CD1-CG 4.12Å; L156-F172 HydrophobicContact CD1-CZ 4.15Å; L156-L173 PolarHBondContact N-O 2.87Å; L156-T174 HydrophobicContact CD2-CG2 3.94Å; L156-T174 CarbonylContact O-C 3.57Å; L156-T174 WeakPolarHBondContact O-CA 3.31Å; L156-V175 PolarHBondContact O-N 2.81Å; L156-V228 WeakPolarHBondContact CA-O 3.4Å; L156-V228 HydrophobicContact CB-CB 4.28Å; L156-V228 HydrophobicContact CD1-CB 4.2Å; L156-V228 HydrophobicContact CD1-CG1 3.97Å; L156-V228 HydrophobicContact CG-CB 4.08Å; L156-V228 HydrophobicContact CG-CG1 4.14Å; L156-V230 HydrophobicContact CD1-CG2 4.06Å; L156-V230 HydrophobicContact CD2-CG2 4.19Å; L156-V230 HydrophobicContact CG-CG2 4.19Å
157	L	98.8	Very high	83.6	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	119.5	169.2	179.8	66.1	0	0	0	109.3	V159 V175 I177 F191 F226 V228 V229 V230 L254	L157-V159 HydrophobicContact CD2-CG2 3.84Å; L157-V159 HydrophobicContact CG-CG2 3.76Å; L157-V175 WeakPolarHBondContact CA-O 3.3Å; L157-V175 HydrophobicContact CD1-CB 4.19Å; L157-V175 HydrophobicContact CD1-CG1 4.05Å; L157-I177 HydrophobicContact CD1-CD1 4.08Å; L157-I177 HydrophobicContact CD1-CG1 4.07Å; L157-I177 HydrophobicContact CD1-CG2 3.98Å; L157-F191 HydrophobicContact CD2-CE2 4.23Å; L157-F226 HydrophobicContact CB-CB 4.49Å; L157-F226 HydrophobicContact CB-CD1 3.71Å; L157-F226 HydrophobicContact CB-CD2 3.95Å; L157-F226 HydrophobicContact CB-CE1 3.82Å; L157-F226 HydrophobicContact CB-CE2 4.04Å; L157-F226 HydrophobicContact CB-CG 3.78Å; L157-F226 HydrophobicContact CB-CZ 3.98Å; L157-F226 HydrophobicContact CD1-CE1 4.37Å; L157-F226 HydrophobicContact CD1-CE2 4.3Å; L157-F226 HydrophobicContact CD1-CZ 3.96Å; L157-F226 HydrophobicContact CD2-CD2 4.14Å; L157-F226 HydrophobicContact CD2-CE2 3.94Å; L157-F226 HydrophobicContact CD2-CZ 4.41Å; L157-F226 HydrophobicContact CG-CE2 4.32Å; L157-F226 HydrophobicContact CG-CZ 4.34Å; L157-V228 PolarHBondContact N-O 3.02Å; L157-V229 HydrophobicContact CB-CG2 4.22Å; L157-V229 HydrophobicContact CD2-CG2 4.32Å; L157-V229 CarbonylContact O-C 3.58Å; L157-V229 WeakPolarHBondContact O-CA 3.43Å; L157-V230 PolarHBondContact O-N 3.35Å; L157-L254 HydrophobicContact CD2-CD1 3.82Å
158	D	98.6	Very high	85.6	Confident	3 Å²	3	45.4 Å²	45.4	2%	0.016	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	112.5	173.8	-174.5	24.9	0	0	0	109.3	L156 S161 F166 V175 I177	L156-D158 HydrophobicContact CD2-CB 3.95Å; D158-S161 WeakPolarHBondContact OD2-CA 3.32Å; D158-S161 WeakPolarHBondContact OD2-CB 3.45Å; D158-S161 PolarHBondContact OD2-OG 2.86Å; D158-F166 HydrophobicContact CB-CD2 4.06Å; D158-F166 HydrophobicContact CB-CE2 4.4Å; D158-V175 PolarHBondContact N-O 3.08Å; D158-I177 PolarHBondContact O-N 2.77Å
159	V	98.6	Very high	87.7	Confident	2 Å²	2	44 Å²	44	1%	0.012	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	125.7	-173.1	-174.5	0	0	0	0	110.4	L157 I177 F191 V229 V230 F231 L234	L157-V159 HydrophobicContact CD2-CG2 3.84Å; L157-V159 HydrophobicContact CG-CG2 3.76Å; V159-I177 HydrophobicContact CB-CD1 4.41Å; V159-I177 HydrophobicContact CB-CG1 4.24Å; V159-I177 HydrophobicContact CG1-CD1 4.05Å; V159-I177 HydrophobicContact CG1-CG1 4.15Å; V159-I177 HydrophobicContact CG2-CD1 3.98Å; V159-I177 HydrophobicContact CG2-CG1 4.11Å; V159-F191 HydrophobicContact CG1-CB 3.7Å; V159-F191 HydrophobicContact CG1-CD1 3.7Å; V159-F191 HydrophobicContact CG1-CD2 3.86Å; V159-F191 HydrophobicContact CG1-CE1 4.25Å; V159-F191 HydrophobicContact CG1-CE2 4.38Å; V159-F191 HydrophobicContact CG1-CG 3.47Å; V159-F191 VanDerWaalsContact CG1-CG 3.47Å; V159-F191 HydrophobicContact CG2-CD2 4.12Å; V159-F191 HydrophobicContact CG2-CE2 3.93Å; V159-F191 HydrophobicContact CG2-CG 4.5Å; V159-F191 HydrophobicContact CG2-CZ 4.17Å; V159-V229 HydrophobicContact CG2-CG1 4.2Å; V159-V230 PolarHBondContact N-O 3.16Å; V159-V230 VanDerWaalsContact N-O 3.08Å; V159-F231 HydrophobicContact CB-CD1 3.9Å; V159-F231 HydrophobicContact CB-CE1 3.89Å; V159-F231 HydrophobicContact CG1-CE1 4.28Å; V159-F231 HydrophobicContact CG2-CD1 4.2Å; V159-F231 HydrophobicContact CG2-CE1 3.82Å; V159-L234 HydrophobicContact CB-CD2 3.9Å; V159-L234 HydrophobicContact CG1-CD1 4.32Å; V159-L234 HydrophobicContact CG1-CD2 3.51Å
160	G	96.1	Very high	89.8	Confident	29 Å²	29	43 Å²	43	30%	0.299	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	37.9	-167.1	0	0	0	0	0	111	C162 I177 D178	G160-C162 VanDerWaalsContact C-N 3.26Å; G160-C162 PolarHBondContact O-N 2.88Å; G160-I177 WeakPolarHBondContact CA-O 3.28Å; G160-I177 PolarHBondContact N-O 3.45Å; G160-D178 VanDerWaalsContact C-OD2 3.24Å; G160-D178 WeakPolarHBondContact CA-OD2 3.34Å
161	S	93.9	Very high	91.7	Very high	5 Å²	5	36.2 Å²	36.2	4%	0.035	20%	0.199	C	C	.	.			trans	-66.3	-28.6	-168.6	-170.5	0	0	0	0	113.1	D158 F163 N164 I177 D178	D158-S161 WeakPolarHBondContact OD2-CA 3.32Å; D158-S161 WeakPolarHBondContact OD2-CB 3.45Å; D158-S161 PolarHBondContact OD2-OG 2.86Å; S161-F163 PolarHBondContact O-N 2.91Å; S161-N164 WeakPolarHBondContact OG-CA 3.31Å; S161-N164 PolarHBondContact OG-N 3.04Å; S161-N164 VanDerWaalsContact OG-N 3.15Å; S161-I177 PolarHBondContact N-O 3.04Å; S161-D178 PolarHBondContact N-OD2 3.21Å
162	C	89.4	Confident	93.3	Very high	10 Å²	10	33.8 Å²	33.8	7%	0.068	19%	0.186	C	C	.	.	S	Bend	trans	57.1	-63	-172	-171.9	0	0	0	0	114.3	G160 D178 A182	G160-C162 VanDerWaalsContact C-N 3.26Å; G160-C162 PolarHBondContact O-N 2.88Å; C162-D178 WeakPolarHBondContact CA-OD2 3.15Å; C162-D178 PolarHBondContact N-OD2 3.16Å; C162-A182 VanDerWaalsContact O-CB 3.31Å; C162-A182 WeakPolarHBondContact O-CB 3.37Å; C162-A182 PolarHBondContact O-N 2.83Å; C162-A182 VanDerWaalsContact O-N 3.11Å
163	F	87.6	Confident	94.1	Very high	69 Å²	69	32.2 Å²	32.2	30%	0.303	16%	0.164	S	C	.	.	S	Bend	trans	-128.8	10.5	-172	61.6	-88.7	0	0	0	115.4	A83 S161 P165	A83-F163 HydrophobicContact CB-CD1 3.99Å; A83-F163 HydrophobicContact CB-CE1 3.44Å; A83-F163 VanDerWaalsContact CB-CE1 3.44Å; A83-F163 HydrophobicContact CB-CZ 3.92Å; S161-F163 PolarHBondContact O-N 2.91Å; F163-P165 HydrophobicContact CD2-CB 4.36Å; F163-P165 HydrophobicContact CE2-CB 3.75Å; F163-P165 HydrophobicContact CE2-CG 4.23Å; F163-P165 HydrophobicContact CZ-CB 4.34Å
164	N	91.1	Very high	94.5	Very high	9 Å²	9	29.5 Å²	29.5	5%	0.048	15%	0.154	C	C	.	.			trans	57.2	58.7	175.3	-155.2	-15.7	0	0	0	115.2	S161 F166 L167 T174 S185 V186	S161-N164 WeakPolarHBondContact OG-CA 3.31Å; S161-N164 PolarHBondContact OG-N 3.04Å; S161-N164 VanDerWaalsContact OG-N 3.15Å; N164-F166 PolarHBondContact O-N 3.14Å; N164-F166 VanDerWaalsContact O-N 3.16Å; N164-L167 HydrophobicContact CB-CB 4.4Å; N164-L167 WeakPolarHBondContact O-CB 3.41Å; N164-L167 PolarHBondContact O-N 3.4Å; N164-L167 VanDerWaalsContact O-N 3.17Å; N164-T174 WeakPolarHBondContact OD1-CG2 3.45Å; N164-S185 PolarHBondContact ND2-O 3.17Å; N164-V186 HydrophobicContact CB-CG2 3.67Å
165	P	91.4	Very high	94.7	Very high	20 Å²	20	29.6 Å²	29.6	13%	0.13	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-62.1	-24.1	-176.4	24.7	-34.5	0	0	0	114.3	I97 F163 L167 K168	I97-P165 HydrophobicContact CD1-CB 3.89Å; I97-P165 HydrophobicContact CD1-CG 3.63Å; I97-P165 HydrophobicContact CG1-CB 4Å; I97-P165 HydrophobicContact CG1-CG 4.3Å; I97-P165 HydrophobicContact CG2-CB 4.3Å; F163-P165 HydrophobicContact CD2-CB 4.36Å; F163-P165 HydrophobicContact CE2-CB 3.75Å; F163-P165 HydrophobicContact CE2-CG 4.23Å; F163-P165 HydrophobicContact CZ-CB 4.34Å; P165-L167 VanDerWaalsContact C-N 3.33Å; P165-K168 WeakPolarHBondContact O-CG 3.36Å
166	F	94.8	Very high	94.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-82.4	-9.4	-178.7	-64.6	-81.4	0	0	0	113.6	I97 C100 L156 D158 N164 K168 F169 F172 T174 V230	I97-F166 HydrophobicContact CD1-CE1 4.45Å; I97-F166 HydrophobicContact CD1-CE2 3.86Å; I97-F166 HydrophobicContact CD1-CZ 3.75Å; I97-F166 HydrophobicContact CG2-CD1 4.09Å; I97-F166 HydrophobicContact CG2-CE1 3.84Å; I97-F166 HydrophobicContact CG2-CZ 4.23Å; C100-F166 HydrophobicContact CB-CE1 3.62Å; C100-F166 HydrophobicContact CB-CZ 3.68Å; L156-F166 HydrophobicContact CD1-CD1 4.13Å; L156-F166 HydrophobicContact CD1-CE1 4.41Å; L156-F166 HydrophobicContact CD1-CG 4.3Å; L156-F166 HydrophobicContact CD2-CB 4.22Å; L156-F166 HydrophobicContact CD2-CD2 3.97Å; L156-F166 HydrophobicContact CD2-CG 4.04Å; D158-F166 HydrophobicContact CB-CD2 4.06Å; D158-F166 HydrophobicContact CB-CE2 4.4Å; N164-F166 PolarHBondContact O-N 3.14Å; N164-F166 VanDerWaalsContact O-N 3.16Å; F166-K168 PolarHBondContact O-N 3.01Å; F166-F169 HydrophobicContact CB-CD2 4.39Å; F166-F169 HydrophobicContact CD1-CD2 4.09Å; F166-F169 HydrophobicContact CD1-CE2 4.07Å; F166-F169 PolarHBondContact O-N 2.88Å; F166-F172 HydrophobicContact CD1-CD2 4.43Å; F166-F172 HydrophobicContact CD1-CE2 4.34Å; F166-T174 HydrophobicContact CB-CG2 3.85Å; F166-T174 PolarHBondContact O-OG1 3.24Å; F166-V230 HydrophobicContact CE2-CB 4.38Å; F166-V230 HydrophobicContact CE2-CG1 4.12Å; F166-V230 HydrophobicContact CE2-CG2 4.24Å; F166-V230 HydrophobicContact CZ-CG1 4.16Å; F166-V230 HydrophobicContact CZ-CG2 4.17Å
167	L	93.7	Very high	94.7	Very high	103 Å²	103	28.5 Å²	28.5	54%	0.539	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-61.9	-25.5	-179.6	-170.7	63.6	0	0	0	112.9	N164 P165 F169	N164-L167 HydrophobicContact CB-CB 4.4Å; N164-L167 WeakPolarHBondContact O-CB 3.41Å; N164-L167 PolarHBondContact O-N 3.4Å; N164-L167 VanDerWaalsContact O-N 3.17Å; P165-L167 VanDerWaalsContact C-N 3.33Å; L167-F169 PolarHBondContact O-N 2.92Å
168	K	92.6	Very high	94.7	Very high	120 Å²	120	29.6 Å²	29.6	52%	0.522	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-71.3	-8.1	-179.5	73.2	-176.1	-176.2	171.9	0	114.4	E98 P165 F166	E98-K168 IonicContact OE1-NZ 3.42Å; E98-K168 PolarHBondContact OE1-NZ 3.01Å; P165-K168 WeakPolarHBondContact O-CG 3.36Å; F166-K168 PolarHBondContact O-N 3.01Å
169	F	94.3	Very high	94.6	Very high	10 Å²	10	30.5 Å²	30.5	4%	0.044	16%	0.161	C	C	.	.			trans	-108.3	120.9	-172.8	-59.4	-55.1	0	0	0	111.5	I97 F166 L167 E171 F172	I97-F169 HydrophobicContact CG2-CE2 3.54Å; I97-F169 HydrophobicContact CG2-CZ 3.95Å; F166-F169 HydrophobicContact CB-CD2 4.39Å; F166-F169 HydrophobicContact CD1-CD2 4.09Å; F166-F169 HydrophobicContact CD1-CE2 4.07Å; F166-F169 PolarHBondContact O-N 2.88Å; L167-F169 PolarHBondContact O-N 2.92Å; F169-E171 VanDerWaalsContact C-N 3.27Å; F169-E171 HydrophobicContact CB-CG 4.45Å; F169-E171 PolarHBondContact O-N 2.86Å; F169-F172 HydrophobicContact CB-CD2 3.73Å; F169-F172 HydrophobicContact CB-CE2 4.3Å; F169-F172 HydrophobicContact CD2-CD2 4.07Å; F169-F172 HydrophobicContact CD2-CE2 4.21Å; F169-F172 HydrophobicContact CG-CD2 4.31Å; F169-F172 PolarHBondContact O-N 2.9Å
170	D	92.8	Very high	94.4	Very high	127 Å²	127	32.2 Å²	32.2	68%	0.679	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-23.4	-174.8	-81.1	-45	0	0	0	114.2	K153 F172	K153-D170 WeakPolarHBondContact CD-O 3.39Å; K153-D170 WeakPolarHBondContact CE-O 3.32Å; K153-D170 WeakPolarHBondContact CG-O 3.48Å; K153-D170 PolarHBondContact NZ-O 3.47Å; K153-D170 IonicContact NZ-OD1 3.98Å; D170-F172 PolarHBondContact O-N 2.98Å
171	E	93.7	Very high	94.2	Very high	37 Å²	37	32.7 Å²	32.7	17%	0.173	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-14.4	176.8	61.3	-101.6	-116.5	0	0	113.9	R101 K153 M154 F169	R101-E171 IonicContact CZ-OE1 2.9Å; R101-E171 IonicContact CZ-OE2 3.29Å; R101-E171 IonicContact NE-OE1 2.65Å; R101-E171 PolarHBondContact NE-OE1 3.4Å; R101-E171 IonicContact NE-OE2 3.57Å; R101-E171 IonicContact NH2-OE1 3.43Å; R101-E171 PolarHBondContact NH2-OE1 3.12Å; R101-E171 IonicContact NH2-OE2 3.19Å; R101-E171 PolarHBondContact NH2-OE2 2.81Å; K153-E171 CarbonylContact C-O 3.59Å; K153-E171 WeakPolarHBondContact CA-O 3.27Å; M154-E171 HydrophobicContact CE-CB 3.89Å; M154-E171 HydrophobicContact CE-CG 3.76Å; M154-E171 PolarHBondContact N-O 2.87Å; F169-E171 VanDerWaalsContact C-N 3.27Å; F169-E171 HydrophobicContact CB-CG 4.45Å; F169-E171 PolarHBondContact O-N 2.86Å
172	F	95.6	Very high	93.9	Very high	8 Å²	8	33.4 Å²	33.4	4%	0.035	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	140.2	-178.5	-63.6	-62.1	0	0	0	112	R101 C104 M154 L156 F166 F169 D170 T174	R101-F172 HydrophobicContact CB-CE2 4.2Å; R101-F172 HydrophobicContact CG-CE2 4.05Å; R101-F172 HydrophobicContact CG-CZ 4.47Å; C104-F172 HydrophobicContact CB-CE1 3.86Å; C104-F172 HydrophobicContact CB-CZ 3.77Å; M154-F172 HydrophobicContact CB-CD1 3.6Å; M154-F172 HydrophobicContact CB-CE1 3.9Å; M154-F172 HydrophobicContact CE-CD1 3.88Å; M154-F172 HydrophobicContact CE-CE1 3.32Å; M154-F172 HydrophobicContact CE-CZ 3.79Å; M154-F172 CarbonylContact O-C 3.45Å; M154-F172 WeakPolarHBondContact O-CA 3.46Å; M154-F172 HydrophobicContact SD-CE1 3.9Å; L156-F172 HydrophobicContact CB-CB 4.47Å; L156-F172 HydrophobicContact CB-CD1 3.97Å; L156-F172 HydrophobicContact CB-CG 4.41Å; L156-F172 HydrophobicContact CD1-CD1 3.74Å; L156-F172 HydrophobicContact CD1-CD2 4.42Å; L156-F172 HydrophobicContact CD1-CE1 3.76Å; L156-F172 HydrophobicContact CD1-CE2 4.45Å; L156-F172 HydrophobicContact CD1-CG 4.12Å; L156-F172 HydrophobicContact CD1-CZ 4.15Å; F166-F172 HydrophobicContact CD1-CD2 4.43Å; F166-F172 HydrophobicContact CD1-CE2 4.34Å; F169-F172 HydrophobicContact CB-CD2 3.73Å; F169-F172 HydrophobicContact CB-CE2 4.3Å; F169-F172 HydrophobicContact CD2-CD2 4.07Å; F169-F172 HydrophobicContact CD2-CE2 4.21Å; F169-F172 HydrophobicContact CG-CD2 4.31Å; F169-F172 PolarHBondContact O-N 2.9Å; D170-F172 PolarHBondContact O-N 2.98Å; F172-T174 WeakPolarHBondContact CB-OG1 3.49Å
173	L	95.2	Very high	94	Very high	23 Å²	23	35.1 Å²	35.1	12%	0.12	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	89.5	158.6	179.9	59.8	0	0	0	106.8	K153 M154 R155 L156 E208 L211	K153-L173 HydrophobicContact CB-CB 3.96Å; M154-L173 PolarHBondContact O-N 3.47Å; R155-L173 WeakPolarHBondContact CA-O 3.41Å; R155-L173 HydrophobicContact CG-CD2 4.31Å; L156-L173 PolarHBondContact N-O 2.87Å; L173-E208 HydrophobicContact CD2-CB 3.76Å; L173-E208 HydrophobicContact CD2-CG 3.7Å; L173-L211 HydrophobicContact CD2-CB 4.23Å; L173-L211 HydrophobicContact CD2-CD1 3.68Å; L173-L211 HydrophobicContact CG-CD1 4.18Å
174	T	96.9	Very high	94.2	Very high	19 Å²	19	41.5 Å²	41.5	12%	0.117	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	132.4	-169.8	-55.5	0	0	0	0	112	L156 N164 F166 F172	L156-T174 HydrophobicContact CD2-CG2 3.94Å; L156-T174 CarbonylContact O-C 3.57Å; L156-T174 WeakPolarHBondContact O-CA 3.31Å; N164-T174 WeakPolarHBondContact OD1-CG2 3.45Å; F166-T174 HydrophobicContact CB-CG2 3.85Å; F166-T174 PolarHBondContact O-OG1 3.24Å; F172-T174 WeakPolarHBondContact CB-OG1 3.49Å
175	V	98.2	Very high	94.4	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.024	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	112.1	161.8	179.1	0	0	0	0	107.7	L156 L157 D158 I177 Y187 L211 L214 I218 F226	L156-V175 PolarHBondContact O-N 2.81Å; L157-V175 WeakPolarHBondContact CA-O 3.3Å; L157-V175 HydrophobicContact CD1-CB 4.19Å; L157-V175 HydrophobicContact CD1-CG1 4.05Å; D158-V175 PolarHBondContact N-O 3.08Å; V175-I177 HydrophobicContact CG1-CG2 4.01Å; V175-Y187 HydrophobicContact CG1-CD2 3.95Å; V175-Y187 HydrophobicContact CG1-CE2 4.15Å; V175-L211 HydrophobicContact CG2-CD2 4Å; V175-L214 HydrophobicContact CG1-CD1 4.01Å; V175-L214 HydrophobicContact CG2-CD1 3.91Å; V175-I218 HydrophobicContact CG1-CD1 4.41Å; V175-F226 HydrophobicContact CB-CE1 4.06Å; V175-F226 HydrophobicContact CB-CZ 4.34Å; V175-F226 HydrophobicContact CG2-CE1 3.99Å; V175-F226 HydrophobicContact CG2-CZ 4.39Å
176	G	98.1	Very high	94.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	131	170.9	0	0	0	0	0	110	V186 Y187	G176-V186 WeakPolarHBondContact O-CA 3.3Å; G176-Y187 PolarHBondContact O-N 3.31Å
177	I	98.6	Very high	94.8	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	145.2	173.8	66.6	170.3	0	0	0	111.2	L157 D158 V159 G160 S161 V175 Y187 C189 F191 I218	L157-I177 HydrophobicContact CD1-CD1 4.08Å; L157-I177 HydrophobicContact CD1-CG1 4.07Å; L157-I177 HydrophobicContact CD1-CG2 3.98Å; D158-I177 PolarHBondContact O-N 2.77Å; V159-I177 HydrophobicContact CB-CD1 4.41Å; V159-I177 HydrophobicContact CB-CG1 4.24Å; V159-I177 HydrophobicContact CG1-CD1 4.05Å; V159-I177 HydrophobicContact CG1-CG1 4.15Å; V159-I177 HydrophobicContact CG2-CD1 3.98Å; V159-I177 HydrophobicContact CG2-CG1 4.11Å; G160-I177 WeakPolarHBondContact CA-O 3.28Å; G160-I177 PolarHBondContact N-O 3.45Å; S161-I177 PolarHBondContact N-O 3.04Å; V175-I177 HydrophobicContact CG1-CG2 4.01Å; I177-Y187 WeakPolarHBondContact CA-O 3.49Å; I177-C189 HydrophobicContact CB-CB 3.82Å; I177-C189 HydrophobicContact CD1-CB 4.16Å; I177-C189 HydrophobicContact CG1-CB 4.48Å; I177-C189 HydrophobicContact CG2-CB 4.23Å; I177-F191 HydrophobicContact CD1-CB 4.33Å; I177-F191 HydrophobicContact CD1-CD2 3.6Å; I177-F191 HydrophobicContact CD1-CE2 4.33Å; I177-F191 HydrophobicContact CD1-CG 4.33Å; I177-I218 HydrophobicContact CG2-CD1 4.18Å
178	D	97.8	Very high	95	Very high	23 Å²	23	45.2 Å²	45.2	12%	0.123	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	152.7	175.8	-156.6	-65.5	0	0	0	110.5	G160 S161 C162 V180 V186 Y187 K188 C189	G160-D178 VanDerWaalsContact C-OD2 3.24Å; G160-D178 WeakPolarHBondContact CA-OD2 3.34Å; S161-D178 PolarHBondContact N-OD2 3.21Å; C162-D178 WeakPolarHBondContact CA-OD2 3.15Å; C162-D178 PolarHBondContact N-OD2 3.16Å; D178-V180 VanDerWaalsContact C-N 3.27Å; D178-V180 PolarHBondContact O-N 3.33Å; D178-V180 PolarHBondContact OD1-N 3.17Å; D178-V186 HydrophobicContact CB-CG1 3.65Å; D178-Y187 PolarHBondContact N-O 2.99Å; D178-K188 CarbonylContact O-C 3.5Å; D178-K188 VanDerWaalsContact O-CA 3.27Å; D178-K188 WeakPolarHBondContact O-CA 3.48Å; D178-C189 CarbonylContact C-O 3.6Å; D178-C189 PolarHBondContact O-N 3.16Å
179	I	95.8	Very high	95.3	Very high	21 Å²	21	39.7 Å²	39.7	11%	0.108	21%	0.208	C	C	.	.	S	Bend	trans	-65.6	-34.9	174.8	-171.8	170	0	0	0	111.3	W62 C66 L72 C189	W62-I179 HydrophobicContact CZ2-CD1 4.09Å; C66-I179 HydrophobicContact CB-CD1 4.05Å; C66-I179 WeakPolarHBondContact SG-CD1 3.44Å; L72-I179 HydrophobicContact CD1-CD1 4.36Å; L72-I179 HydrophobicContact CD2-CD1 4.41Å; L72-I179 HydrophobicContact CD2-CG2 4.27Å; I179-C189 WeakPolarHBondContact CA-O 3.3Å; I179-C189 PolarHBondContact N-O 3.48Å
180	V	94.3	Very high	95.4	Very high	38 Å²	38	40.9 Å²	40.9	23%	0.23	22%	0.215	C	C	.	.	S	Bend	trans	-134.5	91.2	172.8	178.8	0	0	0	0	108.9	L72 A76 D178 A182	L72-V180 HydrophobicContact CB-CG2 3.61Å; L72-V180 HydrophobicContact CD1-CG2 3.91Å; L72-V180 HydrophobicContact CD2-CG2 4.4Å; L72-V180 HydrophobicContact CG-CG2 4.22Å; A76-V180 HydrophobicContact CB-CB 4.15Å; A76-V180 HydrophobicContact CB-CG1 3.7Å; D178-V180 VanDerWaalsContact C-N 3.27Å; D178-V180 PolarHBondContact O-N 3.33Å; D178-V180 PolarHBondContact OD1-N 3.17Å; V180-A182 PolarHBondContact O-N 2.85Å
181	P	92.6	Very high	95.7	Very high	39 Å²	39	35.3 Å²	35.3	25%	0.253	19%	0.185	S	C	.	.			trans	-55.5	134.1	177.4	-27.4	36.3	0	0	0	112.4	V186 K188	P181-V186 HydrophobicContact CB-CB 3.97Å; P181-V186 HydrophobicContact CB-CG1 3.96Å; P181-V186 WeakPolarHBondContact CB-O 3.26Å; P181-V186 HydrophobicContact CG-CG1 4.19Å; P181-V186 WeakPolarHBondContact CG-O 3.47Å; P181-K188 HydrophobicContact CG-CB 3.92Å
182	A	88.3	Confident	95.8	Very high	21 Å²	21	34.3 Å²	34.3	17%	0.174	18%	0.181	C	C	.	.	S	Bend	trans	-89.8	-12.8	175.8	0	0	0	0	0	113.1	R80 C162 V180	R80-A182 HydrophobicContact CB-CB 4.29Å; R80-A182 PolarHBondContact NH1-O 2.96Å; C162-A182 VanDerWaalsContact O-CB 3.31Å; C162-A182 WeakPolarHBondContact O-CB 3.37Å; C162-A182 PolarHBondContact O-N 2.83Å; C162-A182 VanDerWaalsContact O-N 3.11Å; V180-A182 PolarHBondContact O-N 2.85Å
183	V	90.4	Very high	95.8	Very high	46 Å²	46	38.3 Å²	38.3	28%	0.279	20%	0.202	S	C	.	.	S	Bend	trans	-146	157.4	-178.1	-60.6	0	0	0	0	110.8	S185 V186	V183-S185 VanDerWaalsContact CG2-OG 3.29Å; V183-S185 WeakPolarHBondContact CG2-OG 3.32Å; V183-S185 PolarHBondContact O-N 2.82Å; V183-V186 HydrophobicContact CG2-CB 4.35Å; V183-V186 HydrophobicContact CG2-CG2 3.77Å; V183-V186 PolarHBondContact O-N 2.83Å
184	E	92.2	Very high	96	Very high	203 Å²	203	37.3 Å²	37.3	95%	0.949	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-24.4	-177.2	-64.3	-178	174.3	0	0	114.2	V186	E184-V186 PolarHBondContact O-N 2.9Å
185	S	94.6	Very high	96	Very high	49 Å²	49	42.2 Å²	42.2	34%	0.343	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	2.3	178.3	59.8	0	0	0	0	114	N164 V183	N164-S185 PolarHBondContact ND2-O 3.17Å; V183-S185 VanDerWaalsContact CG2-OG 3.29Å; V183-S185 WeakPolarHBondContact CG2-OG 3.32Å; V183-S185 PolarHBondContact O-N 2.82Å
186	V	96.8	Very high	96	Very high	5 Å²	5	44.3 Å²	44.3	3%	0.03	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129.5	176.3	176.6	0	0	0	0	108.6	N164 G176 D178 P181 V183 E184	N164-V186 HydrophobicContact CB-CG2 3.67Å; G176-V186 WeakPolarHBondContact O-CA 3.3Å; D178-V186 HydrophobicContact CB-CG1 3.65Å; P181-V186 HydrophobicContact CB-CB 3.97Å; P181-V186 HydrophobicContact CB-CG1 3.96Å; P181-V186 WeakPolarHBondContact CB-O 3.26Å; P181-V186 HydrophobicContact CG-CG1 4.19Å; P181-V186 WeakPolarHBondContact CG-O 3.47Å; V183-V186 HydrophobicContact CG2-CB 4.35Å; V183-V186 HydrophobicContact CG2-CG2 3.77Å; V183-V186 PolarHBondContact O-N 2.83Å; E184-V186 PolarHBondContact O-N 2.9Å
187	Y	98.2	Very high	95.9	Very high	50 Å²	50	49 Å²	49	20%	0.196	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	141.1	179.7	-61.2	-87.7	0	0	0	111.1	V175 G176 I177 D178 C189 L214 I218	V175-Y187 HydrophobicContact CG1-CD2 3.95Å; V175-Y187 HydrophobicContact CG1-CE2 4.15Å; G176-Y187 PolarHBondContact O-N 3.31Å; I177-Y187 WeakPolarHBondContact CA-O 3.49Å; D178-Y187 PolarHBondContact N-O 2.99Å; Y187-C189 PolarHBondContact O-N 3.38Å; Y187-L214 HydrophobicContact CE1-CB 3.9Å; Y187-L214 WeakPolarHBondContact CE1-O 3.24Å; Y187-L214 HydrophobicContact CE2-CB 4.37Å; Y187-I218 VanDerWaalsContact CB-CD1 3.5Å; Y187-I218 HydrophobicContact CD1-CD1 3.97Å; Y187-I218 HydrophobicContact CD1-CG1 4.18Å; Y187-I218 HydrophobicContact CD2-CD1 3.83Å; Y187-I218 HydrophobicContact CG-CD1 3.49Å; Y187-I218 VanDerWaalsContact CG-CD1 3.49Å; Y187-I218 HydrophobicContact CG-CG1 4.06Å
188	K	97.9	Very high	95.6	Very high	105 Å²	105	56.9 Å²	56.9	46%	0.457	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	125.3	171.6	-176.5	174.5	-178.8	177	0	108.9	D178 P181 S216 P217 I218	D178-K188 CarbonylContact O-C 3.5Å; D178-K188 VanDerWaalsContact O-CA 3.27Å; D178-K188 WeakPolarHBondContact O-CA 3.48Å; P181-K188 HydrophobicContact CG-CB 3.92Å; K188-S216 WeakPolarHBondContact CB-OG 3.39Å; K188-S216 PolarHBondContact N-OG 3.18Å; K188-P217 HydrophobicContact CB-CB 4.19Å; K188-P217 HydrophobicContact CG-CB 4.39Å; K188-P217 CarbonylContact O-C 3.56Å; K188-P217 VanDerWaalsContact O-CA 3.23Å; K188-P217 WeakPolarHBondContact O-CA 3.42Å; K188-P217 WeakPolarHBondContact O-CB 3.41Å; K188-I218 PolarHBondContact O-N 2.89Å
189	C	98.3	Very high	95.4	Very high	5 Å²	5	57.9 Å²	57.9	3%	0.034	30%	0.296	C	S	.	.			trans	-159.6	129.7	-179.7	-175.8	0	0	0	0	110.9	I177 D178 I179 Y187 F191 I218	I177-C189 HydrophobicContact CB-CB 3.82Å; I177-C189 HydrophobicContact CD1-CB 4.16Å; I177-C189 HydrophobicContact CG1-CB 4.48Å; I177-C189 HydrophobicContact CG2-CB 4.23Å; D178-C189 CarbonylContact C-O 3.6Å; D178-C189 PolarHBondContact O-N 3.16Å; I179-C189 WeakPolarHBondContact CA-O 3.3Å; I179-C189 PolarHBondContact N-O 3.48Å; Y187-C189 PolarHBondContact O-N 3.38Å; C189-F191 PolarHBondContact O-N 2.86Å; C189-I218 HydrophobicContact CB-CB 4.34Å; C189-I218 PolarHBondContact SG-O 3.05Å
190	D	97.6	Very high	95.1	Very high	34 Å²	34	59.6 Å²	59.6	18%	0.182	31%	0.305	C	S	.	.			trans	-87.3	98.9	162.8	-179.9	-2.3	0	0	0	109.3	W62 L192 N193 L194	W62-D190 PolarHBondContact NE1-OD1 3.4Å; W62-D190 PolarHBondContact NE1-OD2 3.49Å; W62-D190 VanDerWaalsContact NE1-OD2 3.11Å; D190-L192 PolarHBondContact O-N 3.15Å; D190-L192 PolarHBondContact OD1-N 3.12Å; D190-L192 VanDerWaalsContact OD1-N 3.12Å; D190-N193 HydrophobicContact CB-CB 4.37Å; D190-N193 CarbonylContact O-C 3.57Å; D190-N193 PolarHBondContact O-N 3.33Å; D190-N193 PolarHBondContact OD2-ND2 3.35Å; D190-L194 PolarHBondContact O-N 3.18Å
191	F	98.3	Very high	94.5	Very high	10 Å²	10	67.2 Å²	67.2	4%	0.044	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-28.8	-175.7	-171.5	-112.4	0	0	0	113.7	L157 V159 I177 C189 N193 L194 F231 C247 K250 L254	L157-F191 HydrophobicContact CD2-CE2 4.23Å; V159-F191 HydrophobicContact CG1-CB 3.7Å; V159-F191 HydrophobicContact CG1-CD1 3.7Å; V159-F191 HydrophobicContact CG1-CD2 3.86Å; V159-F191 HydrophobicContact CG1-CE1 4.25Å; V159-F191 HydrophobicContact CG1-CE2 4.38Å; V159-F191 HydrophobicContact CG1-CG 3.47Å; V159-F191 VanDerWaalsContact CG1-CG 3.47Å; V159-F191 HydrophobicContact CG2-CD2 4.12Å; V159-F191 HydrophobicContact CG2-CE2 3.93Å; V159-F191 HydrophobicContact CG2-CG 4.5Å; V159-F191 HydrophobicContact CG2-CZ 4.17Å; I177-F191 HydrophobicContact CD1-CB 4.33Å; I177-F191 HydrophobicContact CD1-CD2 3.6Å; I177-F191 HydrophobicContact CD1-CE2 4.33Å; I177-F191 HydrophobicContact CD1-CG 4.33Å; C189-F191 PolarHBondContact O-N 2.86Å; F191-N193 VanDerWaalsContact C-N 3.3Å; F191-N193 PolarHBondContact O-N 3.07Å; F191-L194 HydrophobicContact CD2-CD2 3.87Å; F191-L194 HydrophobicContact CE2-CD2 4Å; F191-F231 HydrophobicContact CD1-CE1 4.49Å; F191-F231 AromaticContact CE1-CE1 3.75Å; F191-F231 HydrophobicContact CE1-CE1 3.75Å; F191-F231 AromaticContact CE1-CZ 3.65Å; F191-F231 HydrophobicContact CE1-CZ 3.65Å; F191-F231 HydrophobicContact CZ-CE1 4.06Å; F191-F231 HydrophobicContact CZ-CZ 4.09Å; F191-C247 HydrophobicContact CD1-CB 4.25Å; F191-C247 HydrophobicContact CE1-CB 3.98Å; F191-K250 HydrophobicContact CE1-CB 4.13Å; F191-K250 HydrophobicContact CZ-CB 3.85Å; F191-K250 WeakPolarHBondContact O-CD 3.31Å; F191-K250 VanDerWaalsContact O-CE 3.26Å; F191-K250 WeakPolarHBondContact O-CE 3.49Å; F191-L254 HydrophobicContact CE2-CD1 3.58Å; F191-L254 HydrophobicContact CZ-CD1 4.01Å
192	L	96.6	Very high	93.9	Very high	17 Å²	17	69.4 Å²	69.4	9%	0.089	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-32.6	176	-76.6	179.7	0	0	0	111.8	W62 D190 F238 Q243 I246 C247 K250	W62-L192 HydrophobicContact CD2-CD1 3.88Å; W62-L192 HydrophobicContact CG-CD1 3.96Å; W62-L192 HydrophobicContact CZ2-CD1 4.26Å; D190-L192 PolarHBondContact O-N 3.15Å; D190-L192 PolarHBondContact OD1-N 3.12Å; D190-L192 VanDerWaalsContact OD1-N 3.12Å; L192-F238 HydrophobicContact CD1-CD1 3.63Å; L192-F238 HydrophobicContact CD1-CE1 3.41Å; L192-F238 VanDerWaalsContact CD1-CE1 3.41Å; L192-F238 HydrophobicContact CD1-CZ 4.33Å; L192-F238 HydrophobicContact CD2-CE1 4.28Å; L192-F238 HydrophobicContact CD2-CZ 4.48Å; L192-F238 HydrophobicContact CG-CD1 4.28Å; L192-F238 HydrophobicContact CG-CE1 3.65Å; L192-F238 HydrophobicContact CG-CZ 4.11Å; L192-Q243 HydrophobicContact CD1-CB 4.07Å; L192-Q243 HydrophobicContact CD1-CG 3.8Å; L192-Q243 VanDerWaalsContact CD1-NE2 3.27Å; L192-Q243 HydrophobicContact CD2-CB 4.13Å; L192-Q243 HydrophobicContact CD2-CG 4.41Å; L192-Q243 WeakPolarHBondContact CD2-O 3.27Å; L192-I246 HydrophobicContact CD2-CB 4.05Å; L192-I246 HydrophobicContact CD2-CG2 3.86Å; L192-C247 VanDerWaalsContact CD2-SG 3.56Å; L192-K250 WeakPolarHBondContact O-CE 3.39Å; L192-K250 PolarHBondContact O-NZ 2.9Å; L192-K250 VanDerWaalsContact O-NZ 3.08Å
193	N	96.4	Very high	93.3	Very high	92 Å²	92	71.3 Å²	71.3	49%	0.492	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-0.4	-178.5	-70.8	-52.7	0	0	0	114.1	D190 F191 Q195	D190-N193 HydrophobicContact CB-CB 4.37Å; D190-N193 CarbonylContact O-C 3.57Å; D190-N193 PolarHBondContact O-N 3.33Å; D190-N193 PolarHBondContact OD2-ND2 3.35Å; F191-N193 VanDerWaalsContact C-N 3.3Å; F191-N193 PolarHBondContact O-N 3.07Å; N193-Q195 PolarHBondContact O-N 2.82Å; N193-Q195 PolarHBondContact O-NE2 3.33Å
194	L	97.9	Very high	92.5	Very high	1 Å²	1	71.3 Å²	71.3	1%	0.005	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-53.3	122.4	174.7	175.6	68.4	0	0	0	111.5	D190 F191 L196 I218 L221 K250 L254	D190-L194 PolarHBondContact O-N 3.18Å; F191-L194 HydrophobicContact CD2-CD2 3.87Å; F191-L194 HydrophobicContact CE2-CD2 4Å; L194-L196 HydrophobicContact CD2-CD2 4.29Å; L194-L196 HydrophobicContact CG-CD2 4.42Å; L194-I218 HydrophobicContact CD1-CG2 3.96Å; L194-L221 HydrophobicContact CD1-CB 4.41Å; L194-L221 HydrophobicContact CD1-CD1 4.38Å; L194-L221 HydrophobicContact CD1-CG 4.16Å; L194-L221 HydrophobicContact CD2-CB 4.43Å; L194-L221 HydrophobicContact CD2-CD1 3.96Å; L194-L221 HydrophobicContact CD2-CG 4.43Å; L194-K250 PolarHBondContact O-NZ 3.04Å; L194-L254 HydrophobicContact CD2-CD1 4.08Å
195	Q	97.9	Very high	91.7	Very high	123 Å²	123	67.1 Å²	67.1	58%	0.575	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	133.9	178.8	-59.8	-58.4	-47.7	0	0	111.1	N193 D219 S220 L221	N193-Q195 PolarHBondContact O-N 2.82Å; N193-Q195 PolarHBondContact O-NE2 3.33Å; Q195-D219 WeakPolarHBondContact CB-O 3.43Å; Q195-D219 PolarHBondContact N-O 3.49Å; Q195-S220 CarbonylContact O-C 3.46Å; Q195-S220 WeakPolarHBondContact O-CA 3.33Å; Q195-S220 WeakPolarHBondContact O-CB 3.41Å; Q195-L221 PolarHBondContact O-N 3.3Å
196	L	96.8	Very high	91.3	Very high	48 Å²	48	67.7 Å²	67.7	25%	0.251	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	128.5	179	-59.9	-175.2	0	0	0	110.6	L194 L221 K250 E253 L254	L194-L196 HydrophobicContact CD2-CD2 4.29Å; L194-L196 HydrophobicContact CG-CD2 4.42Å; L196-L221 WeakPolarHBondContact CA-O 3.5Å; L196-K250 HydrophobicContact CD1-CB 4.5Å; L196-K250 HydrophobicContact CD1-CG 4.32Å; L196-E253 HydrophobicContact CD1-CB 3.35Å; L196-E253 HydrophobicContact CD1-CG 4.06Å; L196-E253 WeakPolarHBondContact CD1-OE2 3.19Å; L196-L254 HydrophobicContact CD2-CD1 4.25Å; L196-L254 HydrophobicContact CD2-CD2 3.58Å; L196-L254 HydrophobicContact CD2-CG 3.77Å
197	Q	96	Very high	90.9	Very high	97 Å²	97	67.7 Å²	67.7	45%	0.453	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	168.3	177.4	-62.5	176.9	-18.3	0	0	110.7	S220 L221 A223	Q197-S220 PolarHBondContact NE2-OG 3.41Å; Q197-L221 PolarHBondContact N-O 3.04Å; Q197-A223 VanDerWaalsContact O-CB 3.31Å; Q197-A223 WeakPolarHBondContact O-CB 3.46Å; Q197-A223 PolarHBondContact O-N 3.02Å
198	Q	93.8	Very high	90.4	Very high	167 Å²	167	67.4 Å²	67.4	78%	0.78	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-59.7	149.7	173.7	-67.6	-60.7	-40.7	0	0	111.3
199	P	92.8	Very high	90	Very high	45 Å²	45	64.2 Å²	64.2	29%	0.292	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-55.4	141.9	177.2	-24.2	33	0	0	0	112.7	Q201 A223 Q224	P199-Q201 PolarHBondContact O-N 3.38Å; P199-A223 WeakPolarHBondContact CA-O 3.12Å; P199-A223 HydrophobicContact CG-CB 4.06Å; P199-Q224 HydrophobicContact CB-CB 4.35Å; P199-Q224 HydrophobicContact CG-CB 4.45Å; P199-Q224 HydrophobicContact CG-CG 4.27Å; P199-Q224 VanDerWaalsContact CG-NE2 3.32Å
200	L	88.9	Confident	89.8	Confident	57 Å²	57	67 Å²	67	30%	0.298	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-67.9	124.4	174.9	-64.5	178.6	0	0	0	109.8	L202 V207 F210 P222 L225	L200-L202 HydrophobicContact CB-CB 4.32Å; L200-L202 HydrophobicContact CB-CD1 4.03Å; L200-L202 HydrophobicContact CB-CG 4.03Å; L200-L202 HydrophobicContact CD1-CD1 3.98Å; L200-L202 HydrophobicContact CD2-CD1 4.18Å; L200-L202 HydrophobicContact CG-CD1 4.28Å; L200-L202 PolarHBondContact O-N 3Å; L200-L202 VanDerWaalsContact O-N 3.14Å; L200-V207 HydrophobicContact CD1-CG2 4.5Å; L200-F210 HydrophobicContact CD1-CD1 4Å; L200-F210 HydrophobicContact CD1-CD2 4.48Å; L200-F210 HydrophobicContact CD1-CE1 4.31Å; L200-F210 HydrophobicContact CD1-CG 4.09Å; L200-P222 HydrophobicContact CD1-CB 4.28Å; L200-P222 HydrophobicContact CD1-CG 3.95Å; L200-P222 HydrophobicContact CD2-CB 4.07Å; L200-P222 HydrophobicContact CD2-CG 3.66Å; L200-P222 HydrophobicContact CG-CB 3.67Å; L200-P222 HydrophobicContact CG-CG 3.64Å; L200-L225 HydrophobicContact CD1-CD1 3.89Å
201	Q	83.5	Confident	89.6	Confident	197 Å²	197	65.6 Å²	65.6	92%	0.921	36%	0.356	S	S	*	.			trans	-87.5	58.1	170.1	-62	-173.2	11.3	0	0	110.1	P199	P199-Q201 PolarHBondContact O-N 3.38Å
202	L	78.1	Confident	89.3	Confident	85 Å²	85	72 Å²	72	45%	0.445	38%	0.38	S	S	.	.			trans	-121.6	153.9	-173.4	-61.3	177.7	0	0	0	111.5	L200 T206 V207	L200-L202 HydrophobicContact CB-CB 4.32Å; L200-L202 HydrophobicContact CB-CD1 4.03Å; L200-L202 HydrophobicContact CB-CG 4.03Å; L200-L202 HydrophobicContact CD1-CD1 3.98Å; L200-L202 HydrophobicContact CD2-CD1 4.18Å; L200-L202 HydrophobicContact CG-CD1 4.28Å; L200-L202 PolarHBondContact O-N 3Å; L200-L202 VanDerWaalsContact O-N 3.14Å; L202-T206 HydrophobicContact CB-CG2 4.18Å; L202-T206 HydrophobicContact CD1-CG2 3.82Å; L202-T206 HydrophobicContact CD2-CG2 4.13Å; L202-T206 HydrophobicContact CG-CG2 4.27Å; L202-V207 HydrophobicContact CB-CG2 4.14Å
203	A	77.1	Confident	89.1	Confident	61 Å²	61	78.3 Å²	78.3	50%	0.504	41%	0.409	S	S	.	.			trans	-67.5	156.2	168.6	0	0	0	0	0	111	D205 T206 V207	A203-D205 VanDerWaalsContact CB-OD1 3.22Å; A203-D205 WeakPolarHBondContact CB-OD1 3.46Å; A203-D205 PolarHBondContact O-N 3.01Å; A203-T206 WeakPolarHBondContact O-CB 3.47Å; A203-T206 PolarHBondContact O-N 2.74Å; A203-V207 PolarHBondContact O-N 3.46Å; A203-V207 VanDerWaalsContact O-N 3.13Å
204	G	72.7	Confident	89.1	Confident	47 Å²	47	75.1 Å²	75.1	49%	0.485	39%	0.391	S	S	.	.	H	α-helix	trans	-59.5	-40.4	-171	0	0	0	0	0	114.5	T206 V207 E208	G204-T206 VanDerWaalsContact C-N 3.27Å; G204-T206 PolarHBondContact O-N 2.83Å; G204-V207 PolarHBondContact O-N 3.3Å; G204-E208 PolarHBondContact O-N 3.42Å; G204-E208 VanDerWaalsContact O-N 3.12Å
205	D	76.4	Confident	89	Confident	115 Å²	115	85.1 Å²	85.1	62%	0.615	43%	0.429	S	S	*	.	H	α-helix	trans	-59.1	-37.9	174.4	58.9	-17.8	0	0	0	112.8	A203 E208 A209	A203-D205 VanDerWaalsContact CB-OD1 3.22Å; A203-D205 WeakPolarHBondContact CB-OD1 3.46Å; A203-D205 PolarHBondContact O-N 3.01Å; D205-E208 PolarHBondContact O-N 3.41Å; D205-A209 PolarHBondContact O-N 3.09Å; D205-A209 VanDerWaalsContact O-N 3.08Å
206	T	84.8	Confident	88.9	Confident	60 Å²	60	82.7 Å²	82.7	37%	0.368	43%	0.426	S	S	.	.	H	α-helix	trans	-71.7	-34.5	178.7	-48	0	0	0	0	110.9	L202 A203 G204 A209 F210	L202-T206 HydrophobicContact CB-CG2 4.18Å; L202-T206 HydrophobicContact CD1-CG2 3.82Å; L202-T206 HydrophobicContact CD2-CG2 4.13Å; L202-T206 HydrophobicContact CG-CG2 4.27Å; A203-T206 WeakPolarHBondContact O-CB 3.47Å; A203-T206 PolarHBondContact O-N 2.74Å; G204-T206 VanDerWaalsContact C-N 3.27Å; G204-T206 PolarHBondContact O-N 2.83Å; T206-A209 PolarHBondContact O-N 3.34Å; T206-F210 PolarHBondContact O-N 2.69Å
207	V	88.1	Confident	88.9	Confident	6 Å²	6	83.8 Å²	83.8	4%	0.036	44%	0.436	C	S	.	.	H	α-helix	trans	-65.5	-40.6	172.9	-179.2	0	0	0	0	111.2	L200 L202 A203 G204 A209 F210 L211 L225	L200-V207 HydrophobicContact CD1-CG2 4.5Å; L202-V207 HydrophobicContact CB-CG2 4.14Å; A203-V207 PolarHBondContact O-N 3.46Å; A203-V207 VanDerWaalsContact O-N 3.13Å; G204-V207 PolarHBondContact O-N 3.3Å; V207-A209 VanDerWaalsContact C-N 3.34Å; V207-A209 PolarHBondContact O-N 2.91Å; V207-F210 WeakPolarHBondContact O-CB 3.46Å; V207-F210 PolarHBondContact O-N 2.98Å; V207-L211 HydrophobicContact CG1-CD1 4.34Å; V207-L211 HydrophobicContact CG1-CG 4.47Å; V207-L211 WeakPolarHBondContact O-CG 3.47Å; V207-L211 PolarHBondContact O-N 3.28Å; V207-L225 HydrophobicContact CG1-CD1 3.45Å; V207-L225 VanDerWaalsContact CG1-CD1 3.45Å
208	E	88	Confident	89	Confident	44 Å²	44	79.5 Å²	79.5	21%	0.206	42%	0.416	C	S	.	.	H	α-helix	trans	-63.9	-40.9	175.2	-59.4	-166.9	-177.9	0	0	112.4	L173 G204 D205 F210 L211 R212	L173-E208 HydrophobicContact CD2-CB 3.76Å; L173-E208 HydrophobicContact CD2-CG 3.7Å; G204-E208 PolarHBondContact O-N 3.42Å; G204-E208 VanDerWaalsContact O-N 3.12Å; D205-E208 PolarHBondContact O-N 3.41Å; E208-F210 VanDerWaalsContact C-N 3.32Å; E208-F210 PolarHBondContact O-N 2.92Å; E208-L211 PolarHBondContact O-N 3.09Å; E208-R212 VanDerWaalsContact CB-NH1 3.31Å; E208-R212 WeakPolarHBondContact O-CG 3.5Å; E208-R212 PolarHBondContact O-N 2.8Å; E208-R212 IonicContact OE2-CZ 3.55Å; E208-R212 IonicContact OE2-NH1 3.29Å; E208-R212 PolarHBondContact OE2-NH1 2.86Å; E208-R212 IonicContact OE2-NH2 2.93Å; E208-R212 PolarHBondContact OE2-NH2 3.39Å
209	A	90.6	Very high	89.2	Confident	38 Å²	38	76.7 Å²	76.7	31%	0.314	41%	0.406	S	S	.	.	H	α-helix	trans	-61.5	-41.5	175.3	0	0	0	0	0	111.6	D205 T206 V207 R212 Q213	D205-A209 PolarHBondContact O-N 3.09Å; D205-A209 VanDerWaalsContact O-N 3.08Å; T206-A209 PolarHBondContact O-N 3.34Å; V207-A209 VanDerWaalsContact C-N 3.34Å; V207-A209 PolarHBondContact O-N 2.91Å; A209-R212 PolarHBondContact O-N 2.82Å; A209-Q213 WeakPolarHBondContact O-CG 3.33Å; A209-Q213 PolarHBondContact O-N 3.42Å
210	F	93.4	Very high	89.4	Confident	63 Å²	63	76.7 Å²	76.7	28%	0.276	41%	0.407	S	S	.	.	H	α-helix	trans	-57.5	-49.7	173.1	171.2	-93.9	0	0	0	111.6	L200 T206 V207 E208 R212 Q213 L214 P222 L225	L200-F210 HydrophobicContact CD1-CD1 4Å; L200-F210 HydrophobicContact CD1-CD2 4.48Å; L200-F210 HydrophobicContact CD1-CE1 4.31Å; L200-F210 HydrophobicContact CD1-CG 4.09Å; T206-F210 PolarHBondContact O-N 2.69Å; V207-F210 WeakPolarHBondContact O-CB 3.46Å; V207-F210 PolarHBondContact O-N 2.98Å; E208-F210 VanDerWaalsContact C-N 3.32Å; E208-F210 PolarHBondContact O-N 2.92Å; F210-R212 VanDerWaalsContact C-N 3.28Å; F210-R212 PolarHBondContact O-N 3.19Å; F210-Q213 PolarHBondContact O-N 3.35Å; F210-L214 HydrophobicContact CE1-CD2 3.98Å; F210-L214 HydrophobicContact CZ-CD2 4.06Å; F210-L214 PolarHBondContact O-N 2.98Å; F210-P222 HydrophobicContact CE1-CG 4.25Å; F210-P222 HydrophobicContact CZ-CG 4Å; F210-L225 HydrophobicContact CD1-CD1 4.31Å; F210-L225 HydrophobicContact CD1-CD2 4.46Å; F210-L225 HydrophobicContact CE1-CD1 4.43Å; F210-L225 HydrophobicContact CE1-CD2 3.92Å
211	L	93.8	Very high	89.9	Confident	5 Å²	5	74 Å²	74	3%	0.026	39%	0.393	C	S	.	.	H	α-helix	trans	-61.6	-35.7	-179.9	-69	175.3	0	0	0	112.5	R155 L173 V175 V207 E208 Q213 L214 L225 F226	R155-L211 HydrophobicContact CB-CD1 4.31Å; R155-L211 HydrophobicContact CG-CD1 3.77Å; L173-L211 HydrophobicContact CD2-CB 4.23Å; L173-L211 HydrophobicContact CD2-CD1 3.68Å; L173-L211 HydrophobicContact CG-CD1 4.18Å; V175-L211 HydrophobicContact CG2-CD2 4Å; V207-L211 HydrophobicContact CG1-CD1 4.34Å; V207-L211 HydrophobicContact CG1-CG 4.47Å; V207-L211 WeakPolarHBondContact O-CG 3.47Å; V207-L211 PolarHBondContact O-N 3.28Å; E208-L211 PolarHBondContact O-N 3.09Å; L211-Q213 VanDerWaalsContact C-N 3.26Å; L211-Q213 PolarHBondContact O-N 2.81Å; L211-L214 HydrophobicContact CD2-CD1 4Å; L211-L214 WeakPolarHBondContact O-CG 3.25Å; L211-L225 HydrophobicContact CD2-CD1 4.27Å; L211-L225 HydrophobicContact CD2-CD2 3.74Å; L211-L225 HydrophobicContact CD2-CG 4.02Å; L211-F226 HydrophobicContact CD2-CE1 4.09Å; L211-F226 HydrophobicContact CD2-CZ 4.15Å
212	R	91.1	Very high	90.5	Very high	145 Å²	145	64.6 Å²	64.6	55%	0.547	35%	0.35	S	S	.	.	H	α-helix	trans	-71.2	-18.4	175.8	-70.2	179.9	-175.4	104.4	5.9	113.7	E208 A209 F210	E208-R212 VanDerWaalsContact CB-NH1 3.31Å; E208-R212 WeakPolarHBondContact O-CG 3.5Å; E208-R212 PolarHBondContact O-N 2.8Å; E208-R212 IonicContact OE2-CZ 3.55Å; E208-R212 IonicContact OE2-NH1 3.29Å; E208-R212 PolarHBondContact OE2-NH1 2.86Å; E208-R212 IonicContact OE2-NH2 2.93Å; E208-R212 PolarHBondContact OE2-NH2 3.39Å; A209-R212 PolarHBondContact O-N 2.82Å; F210-R212 VanDerWaalsContact C-N 3.28Å; F210-R212 PolarHBondContact O-N 3.19Å
213	Q	93.9	Very high	91.4	Very high	148 Å²	148	61.3 Å²	61.3	69%	0.692	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	4.8	-178.8	-68.8	177.7	14.1	0	0	113.4	A209 F210 L211	A209-Q213 WeakPolarHBondContact O-CG 3.33Å; A209-Q213 PolarHBondContact O-N 3.42Å; F210-Q213 PolarHBondContact O-N 3.35Å; L211-Q213 VanDerWaalsContact C-N 3.26Å; L211-Q213 PolarHBondContact O-N 2.81Å
214	L	95.8	Very high	92.2	Very high	25 Å²	25	61.6 Å²	61.6	13%	0.131	33%	0.326	C	S	.	.			trans	-54.6	145.4	173.9	-72.1	173.1	0	0	0	110.7	V175 Y187 F210 L211 I218 L221	V175-L214 HydrophobicContact CG1-CD1 4.01Å; V175-L214 HydrophobicContact CG2-CD1 3.91Å; Y187-L214 HydrophobicContact CE1-CB 3.9Å; Y187-L214 WeakPolarHBondContact CE1-O 3.24Å; Y187-L214 HydrophobicContact CE2-CB 4.37Å; F210-L214 HydrophobicContact CE1-CD2 3.98Å; F210-L214 HydrophobicContact CZ-CD2 4.06Å; F210-L214 PolarHBondContact O-N 2.98Å; L211-L214 HydrophobicContact CD2-CD1 4Å; L211-L214 WeakPolarHBondContact O-CG 3.25Å; L214-I218 HydrophobicContact CB-CD1 4.32Å; L214-I218 HydrophobicContact CD1-CD1 4.04Å; L214-I218 HydrophobicContact CD2-CD1 4.41Å; L214-L221 HydrophobicContact CD2-CD2 4Å
215	R	95.6	Very high	93.3	Very high	211 Å²	211	59.6 Å²	59.6	80%	0.796	30%	0.304	S	S	*	.			trans	-121.8	148.7	177.8	-63.7	-172.9	-179.1	-179.9	0.2	109.3	P217 I218	R215-P217 CarbonylContact O-C 3.58Å; R215-P217 VanDerWaalsContact O-O 3.12Å; R215-I218 WeakPolarHBondContact O-CG1 3.45Å
216	S	95.4	Very high	94.3	Very high	73 Å²	73	54.1 Å²	54.1	51%	0.51	27%	0.274	S	S	.	.	S	Bend	trans	-89.9	139	172.5	-167.7	0	0	0	0	109.4	K188	K188-S216 WeakPolarHBondContact CB-OG 3.39Å; K188-S216 PolarHBondContact N-OG 3.18Å
217	P	97.3	Very high	94.9	Very high	71 Å²	71	52 Å²	52	46%	0.461	26%	0.26	S	S	.	.	S	Bend	cis	-72.8	154.2	-7.5	32.4	-35.3	0	0	0	112.7	K188 R215	K188-P217 HydrophobicContact CB-CB 4.19Å; K188-P217 HydrophobicContact CG-CB 4.39Å; K188-P217 CarbonylContact O-C 3.56Å; K188-P217 VanDerWaalsContact O-CA 3.23Å; K188-P217 WeakPolarHBondContact O-CA 3.42Å; K188-P217 WeakPolarHBondContact O-CB 3.41Å; R215-P217 CarbonylContact O-C 3.58Å; R215-P217 VanDerWaalsContact O-O 3.12Å
218	I	98.2	Very high	95.5	Very high	7 Å²	7	51.7 Å²	51.7	4%	0.036	26%	0.258	C	S	.	.			trans	-95.5	105	170.9	-63.7	178.2	0	0	0	108.4	V175 I177 Y187 K188 C189 L194 L214 R215 L221	V175-I218 HydrophobicContact CG1-CD1 4.41Å; I177-I218 HydrophobicContact CG2-CD1 4.18Å; Y187-I218 VanDerWaalsContact CB-CD1 3.5Å; Y187-I218 HydrophobicContact CD1-CD1 3.97Å; Y187-I218 HydrophobicContact CD1-CG1 4.18Å; Y187-I218 HydrophobicContact CD2-CD1 3.83Å; Y187-I218 HydrophobicContact CG-CD1 3.49Å; Y187-I218 VanDerWaalsContact CG-CD1 3.49Å; Y187-I218 HydrophobicContact CG-CG1 4.06Å; K188-I218 PolarHBondContact O-N 2.89Å; C189-I218 HydrophobicContact CB-CB 4.34Å; C189-I218 PolarHBondContact SG-O 3.05Å; L194-I218 HydrophobicContact CD1-CG2 3.96Å; L214-I218 HydrophobicContact CB-CD1 4.32Å; L214-I218 HydrophobicContact CD1-CD1 4.04Å; L214-I218 HydrophobicContact CD2-CD1 4.41Å; R215-I218 WeakPolarHBondContact O-CG1 3.45Å; I218-L221 HydrophobicContact CG2-CD1 4.07Å; I218-L221 HydrophobicContact CG2-CD2 3.95Å; I218-L221 HydrophobicContact CG2-CG 3.69Å
219	D	97.5	Very high	96	Very high	107 Å²	107	49.6 Å²	49.6	57%	0.572	25%	0.249	S	C	*	.			trans	-100.5	-13.2	177.2	-56.3	-43.1	0	0	0	112.7	Q195	Q195-D219 WeakPolarHBondContact CB-O 3.43Å; Q195-D219 PolarHBondContact N-O 3.49Å
220	S	97.9	Very high	96.4	Very high	45 Å²	45	47.8 Å²	47.8	32%	0.315	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	147.6	176.5	66.4	0	0	0	0	113.4	Q195 Q197	Q195-S220 CarbonylContact O-C 3.46Å; Q195-S220 WeakPolarHBondContact O-CA 3.33Å; Q195-S220 WeakPolarHBondContact O-CB 3.41Å; Q197-S220 PolarHBondContact NE2-OG 3.41Å
221	L	98.1	Very high	96.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	142.7	173.4	-74.6	173.4	0	0	0	110.8	L194 Q195 L196 Q197 L214 I218 L225 F226 L254	L194-L221 HydrophobicContact CD1-CB 4.41Å; L194-L221 HydrophobicContact CD1-CD1 4.38Å; L194-L221 HydrophobicContact CD1-CG 4.16Å; L194-L221 HydrophobicContact CD2-CB 4.43Å; L194-L221 HydrophobicContact CD2-CD1 3.96Å; L194-L221 HydrophobicContact CD2-CG 4.43Å; Q195-L221 PolarHBondContact O-N 3.3Å; L196-L221 WeakPolarHBondContact CA-O 3.5Å; Q197-L221 PolarHBondContact N-O 3.04Å; L214-L221 HydrophobicContact CD2-CD2 4Å; I218-L221 HydrophobicContact CG2-CD1 4.07Å; I218-L221 HydrophobicContact CG2-CD2 3.95Å; I218-L221 HydrophobicContact CG2-CG 3.69Å; L221-L225 HydrophobicContact CD2-CD2 4.06Å; L221-F226 HydrophobicContact CD1-CE2 4.09Å; L221-F226 HydrophobicContact CD1-CZ 4.35Å; L221-L254 HydrophobicContact CB-CD2 3.82Å; L221-L254 HydrophobicContact CD1-CD2 4.4Å
222	P	96.8	Very high	96.7	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	141.3	167.4	-25.7	34.3	0	0	0	112.9	L200 F210 L225	L200-P222 HydrophobicContact CD1-CB 4.28Å; L200-P222 HydrophobicContact CD1-CG 3.95Å; L200-P222 HydrophobicContact CD2-CB 4.07Å; L200-P222 HydrophobicContact CD2-CG 3.66Å; L200-P222 HydrophobicContact CG-CB 3.67Å; L200-P222 HydrophobicContact CG-CG 3.64Å; F210-P222 HydrophobicContact CE1-CG 4.25Å; F210-P222 HydrophobicContact CZ-CG 4Å; P222-L225 WeakPolarHBondContact O-CB 3.42Å
223	A	96.5	Very high	96.8	Very high	16 Å²	16	40.7 Å²	40.7	13%	0.132	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	157.5	168.5	0	0	0	0	0	111.2	Q197 P199 L225 E253	Q197-A223 VanDerWaalsContact O-CB 3.31Å; Q197-A223 WeakPolarHBondContact O-CB 3.46Å; Q197-A223 PolarHBondContact O-N 3.02Å; P199-A223 WeakPolarHBondContact CA-O 3.12Å; P199-A223 HydrophobicContact CG-CB 4.06Å; A223-L225 VanDerWaalsContact C-N 3.26Å; A223-L225 PolarHBondContact O-N 3.22Å; A223-E253 CarbonylContact C-O 3.58Å; A223-E253 WeakPolarHBondContact CA-O 3.23Å; A223-E253 WeakPolarHBondContact CB-O 3.36Å
224	Q	95.4	Very high	96.8	Very high	67 Å²	67	34.4 Å²	34.4	31%	0.313	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	40.6	177.4	-55.3	-177.8	64.6	0	0	113.3	P199 E253 L254 E256	P199-Q224 HydrophobicContact CB-CB 4.35Å; P199-Q224 HydrophobicContact CG-CB 4.45Å; P199-Q224 HydrophobicContact CG-CG 4.27Å; P199-Q224 VanDerWaalsContact CG-NE2 3.32Å; Q224-E253 PolarHBondContact N-O 3.41Å; Q224-L254 CarbonylContact C-O 3.35Å; Q224-L254 WeakPolarHBondContact CA-O 3.44Å; Q224-L254 PolarHBondContact N-O 2.91Å; Q224-E256 HydrophobicContact CB-CG 4.11Å; Q224-E256 WeakPolarHBondContact O-CG 3.17Å
225	L	95.6	Very high	96.9	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.021	18%	0.177	C	C	.	.			trans	-94.7	-26.9	-176.4	-175	62.9	0	0	0	112.9	R155 L200 V207 F210 L211 L221 P222 A223 L254	R155-L225 WeakPolarHBondContact CD-O 3.32Å; R155-L225 PolarHBondContact NE-O 3.03Å; L200-L225 HydrophobicContact CD1-CD1 3.89Å; V207-L225 HydrophobicContact CG1-CD1 3.45Å; V207-L225 VanDerWaalsContact CG1-CD1 3.45Å; F210-L225 HydrophobicContact CD1-CD1 4.31Å; F210-L225 HydrophobicContact CD1-CD2 4.46Å; F210-L225 HydrophobicContact CE1-CD1 4.43Å; F210-L225 HydrophobicContact CE1-CD2 3.92Å; L211-L225 HydrophobicContact CD2-CD1 4.27Å; L211-L225 HydrophobicContact CD2-CD2 3.74Å; L211-L225 HydrophobicContact CD2-CG 4.02Å; L221-L225 HydrophobicContact CD2-CD2 4.06Å; P222-L225 WeakPolarHBondContact O-CB 3.42Å; A223-L225 VanDerWaalsContact C-N 3.26Å; A223-L225 PolarHBondContact O-N 3.22Å; L225-L254 PolarHBondContact N-O 3.17Å
226	F	97.4	Very high	96.7	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	148.1	-171.5	-60	-81.8	0	0	0	112.1	R155 L157 V175 L211 L221 V229 L254 L255 E256	R155-F226 HydrophobicContact CB-CD1 4.25Å; L157-F226 HydrophobicContact CB-CB 4.49Å; L157-F226 HydrophobicContact CB-CD1 3.71Å; L157-F226 HydrophobicContact CB-CD2 3.95Å; L157-F226 HydrophobicContact CB-CE1 3.82Å; L157-F226 HydrophobicContact CB-CE2 4.04Å; L157-F226 HydrophobicContact CB-CG 3.78Å; L157-F226 HydrophobicContact CB-CZ 3.98Å; L157-F226 HydrophobicContact CD1-CE1 4.37Å; L157-F226 HydrophobicContact CD1-CE2 4.3Å; L157-F226 HydrophobicContact CD1-CZ 3.96Å; L157-F226 HydrophobicContact CD2-CD2 4.14Å; L157-F226 HydrophobicContact CD2-CE2 3.94Å; L157-F226 HydrophobicContact CD2-CZ 4.41Å; L157-F226 HydrophobicContact CG-CE2 4.32Å; L157-F226 HydrophobicContact CG-CZ 4.34Å; V175-F226 HydrophobicContact CB-CE1 4.06Å; V175-F226 HydrophobicContact CB-CZ 4.34Å; V175-F226 HydrophobicContact CG2-CE1 3.99Å; V175-F226 HydrophobicContact CG2-CZ 4.39Å; L211-F226 HydrophobicContact CD2-CE1 4.09Å; L211-F226 HydrophobicContact CD2-CZ 4.15Å; L221-F226 HydrophobicContact CD1-CE2 4.09Å; L221-F226 HydrophobicContact CD1-CZ 4.35Å; F226-V229 HydrophobicContact CB-CG2 4.48Å; F226-L254 HydrophobicContact CD2-CB 4.3Å; F226-L254 HydrophobicContact CE2-CD2 4.37Å; F226-L254 PolarHBondContact N-O 2.98Å; F226-L254 VanDerWaalsContact N-O 3.1Å; F226-L255 WeakPolarHBondContact O-CA 3.4Å; F226-E256 PolarHBondContact O-N 2.99Å
227	H	97.6	Very high	96.6	Very high	15 Å²	15	21.2 Å²	21.2	7%	0.069	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-28.7	168.4	-50.1	125.1	0	0	0	111.2	F108 R155 L255 E256 G259 L260	F108-H227 HydrophobicContact CE1-CB 4.38Å; F108-H227 HydrophobicContact CZ-CB 4.05Å; R155-H227 PolarHBondContact N-ND1 3.46Å; R155-H227 PolarHBondContact NE-CE1 3.32Å; R155-H227 PolarHBondContact NE-NE2 3.34Å; R155-H227 PolarHBondContact NH2-NE2 3.07Å; R155-H227 PolarHBondContact O-N 3.19Å; H227-L255 WeakPolarHBondContact O-CD2 3.38Å; H227-E256 IonicContact CD2-OE2 2.54Å; H227-E256 PolarHBondContact CD2-OE2 2.91Å; H227-E256 VanDerWaalsContact CD2-OE2 3.29Å; H227-E256 IonicContact NE2-OE2 3.03Å; H227-G259 CarbonylContact O-C 3.58Å; H227-G259 WeakPolarHBondContact O-CA 3.29Å; H227-L260 PolarHBondContact O-N 3.16Å
228	V	98.8	Very high	96.5	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	135.8	-175.7	-173.1	0	0	0	0	110.2	F108 R155 L156 L157 V230 L260 L262	F108-V228 HydrophobicContact CE2-CG2 3.65Å; F108-V228 HydrophobicContact CZ-CG2 4.22Å; R155-V228 PolarHBondContact O-N 2.93Å; R155-V228 VanDerWaalsContact O-N 3.16Å; L156-V228 WeakPolarHBondContact CA-O 3.4Å; L156-V228 HydrophobicContact CB-CB 4.28Å; L156-V228 HydrophobicContact CD1-CB 4.2Å; L156-V228 HydrophobicContact CD1-CG1 3.97Å; L156-V228 HydrophobicContact CG-CB 4.08Å; L156-V228 HydrophobicContact CG-CG1 4.14Å; L157-V228 PolarHBondContact N-O 3.02Å; V228-V230 HydrophobicContact CG1-CG2 4Å; V228-L260 CarbonylContact C-O 3.45Å; V228-L260 VanDerWaalsContact CA-O 3.32Å; V228-L260 WeakPolarHBondContact CA-O 3.43Å; V228-L262 HydrophobicContact CG1-CD1 3.92Å; V228-L262 HydrophobicContact CG1-CG 4.17Å
229	V	98.9	Very high	96.3	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	130	167.4	176.2	0	0	0	0	108.1	L157 V159 F226 F231 A251 L255 L260 L261 L262	L157-V229 HydrophobicContact CB-CG2 4.22Å; L157-V229 HydrophobicContact CD2-CG2 4.32Å; L157-V229 CarbonylContact O-C 3.58Å; L157-V229 WeakPolarHBondContact O-CA 3.43Å; V159-V229 HydrophobicContact CG2-CG1 4.2Å; F226-V229 HydrophobicContact CB-CG2 4.48Å; V229-F231 HydrophobicContact CG1-CD1 4.14Å; V229-F231 HydrophobicContact CG1-CE1 3.64Å; V229-F231 HydrophobicContact CG1-CZ 4.17Å; V229-A251 HydrophobicContact CB-CB 4.24Å; V229-A251 HydrophobicContact CG1-CB 3.84Å; V229-A251 HydrophobicContact CG2-CB 4.44Å; V229-L255 HydrophobicContact CB-CD1 4.44Å; V229-L255 HydrophobicContact CB-CD2 4.32Å; V229-L255 HydrophobicContact CB-CG 4.35Å; V229-L255 HydrophobicContact CG2-CD1 4.31Å; V229-L255 HydrophobicContact CG2-CD2 3.75Å; V229-L255 HydrophobicContact CG2-CG 3.71Å; V229-L260 PolarHBondContact N-O 3.35Å; V229-L261 HydrophobicContact CB-CD1 4.25Å; V229-L261 HydrophobicContact CG1-CD1 4.11Å; V229-L261 WeakPolarHBondContact O-CA 3.31Å; V229-L262 PolarHBondContact O-N 3.38Å
230	V	98.8	Very high	96.2	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	127.5	-179.4	-174.7	0	0	0	0	110.1	L156 L157 V159 F166 V228 L262 I264	L156-V230 HydrophobicContact CD1-CG2 4.06Å; L156-V230 HydrophobicContact CD2-CG2 4.19Å; L156-V230 HydrophobicContact CG-CG2 4.19Å; L157-V230 PolarHBondContact O-N 3.35Å; V159-V230 PolarHBondContact N-O 3.16Å; V159-V230 VanDerWaalsContact N-O 3.08Å; F166-V230 HydrophobicContact CE2-CB 4.38Å; F166-V230 HydrophobicContact CE2-CG1 4.12Å; F166-V230 HydrophobicContact CE2-CG2 4.24Å; F166-V230 HydrophobicContact CZ-CG1 4.16Å; F166-V230 HydrophobicContact CZ-CG2 4.17Å; V228-V230 HydrophobicContact CG1-CG2 4Å; V230-L262 HydrophobicContact CG2-CB 4.36Å; V230-L262 HydrophobicContact CG2-CD1 4.2Å; V230-I264 HydrophobicContact CG1-CD1 4.13Å
231	F	98.6	Very high	96.1	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	86.7	167.9	-65.9	-16.2	0	0	0	108.6	V159 F191 V229 L234 L235 C247 A251 L261 L262 I263 I264	V159-F231 HydrophobicContact CB-CD1 3.9Å; V159-F231 HydrophobicContact CB-CE1 3.89Å; V159-F231 HydrophobicContact CG1-CE1 4.28Å; V159-F231 HydrophobicContact CG2-CD1 4.2Å; V159-F231 HydrophobicContact CG2-CE1 3.82Å; F191-F231 HydrophobicContact CD1-CE1 4.49Å; F191-F231 AromaticContact CE1-CE1 3.75Å; F191-F231 HydrophobicContact CE1-CE1 3.75Å; F191-F231 AromaticContact CE1-CZ 3.65Å; F191-F231 HydrophobicContact CE1-CZ 3.65Å; F191-F231 HydrophobicContact CZ-CE1 4.06Å; F191-F231 HydrophobicContact CZ-CZ 4.09Å; V229-F231 HydrophobicContact CG1-CD1 4.14Å; V229-F231 HydrophobicContact CG1-CE1 3.64Å; V229-F231 HydrophobicContact CG1-CZ 4.17Å; F231-L234 HydrophobicContact CB-CB 4.16Å; F231-L234 HydrophobicContact CB-CD2 4.26Å; F231-L234 HydrophobicContact CD1-CD2 3.4Å; F231-L234 HydrophobicContact CE1-CD2 3.79Å; F231-L234 HydrophobicContact CG-CD2 3.83Å; F231-L235 HydrophobicContact CD2-CD1 4.32Å; F231-L235 HydrophobicContact CD2-CD2 3.86Å; F231-L235 HydrophobicContact CD2-CG 4.14Å; F231-L235 HydrophobicContact CE2-CD2 4.2Å; F231-C247 HydrophobicContact CE2-CB 3.9Å; F231-C247 HydrophobicContact CZ-CB 3.89Å; F231-C247 WeakPolarHBondContact CZ-O 3.47Å; F231-A251 HydrophobicContact CE1-CB 4.46Å; F231-A251 HydrophobicContact CE2-CB 4.16Å; F231-A251 HydrophobicContact CZ-CB 3.67Å; F231-L261 HydrophobicContact CD2-CD1 3.82Å; F231-L261 HydrophobicContact CE2-CD1 3.82Å; F231-L261 HydrophobicContact CG-CD1 4.23Å; F231-L261 HydrophobicContact CZ-CD1 4.24Å; F231-L262 PolarHBondContact N-O 2.94Å; F231-I263 HydrophobicContact CB-CG1 4.36Å; F231-I263 HydrophobicContact CD2-CG1 4.15Å; F231-I264 PolarHBondContact O-N 2.75Å
232	S	94.9	Very high	96	Very high	24 Å²	24	14.8 Å²	14.8	17%	0.168	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	103.2	177.2	176.5	0	0	0	0	110.7	L234	S232-L234 PolarHBondContact O-N 2.82Å
233	L	93.2	Very high	96	Very high	40 Å²	40	14.8 Å²	14.8	21%	0.209	8%	0.075	C	C	.	.	S	Bend	trans	59.8	12.5	-177.7	-47.8	179.3	0	0	0	114.3	I264 P266 M301	L233-I264 WeakPolarHBondContact CA-O 3.45Å; L233-I264 HydrophobicContact CD2-CG2 4.1Å; L233-I264 PolarHBondContact N-O 3.26Å; L233-P266 HydrophobicContact CD2-CG 3.95Å; L233-M301 HydrophobicContact CD1-CE 4.36Å; L233-M301 HydrophobicContact CD2-CE 4.42Å; L233-M301 HydrophobicContact CD2-SD 4.35Å
234	L	95.8	Very high	96.1	Very high	17 Å²	17	14 Å²	14	9%	0.089	7%	0.069	C	C	.	.			trans	-69.1	-48.5	-177.5	178.6	73.8	0	0	0	112.3	V159 F231 S232 S236 Y237 F238	V159-L234 HydrophobicContact CB-CD2 3.9Å; V159-L234 HydrophobicContact CG1-CD1 4.32Å; V159-L234 HydrophobicContact CG1-CD2 3.51Å; F231-L234 HydrophobicContact CB-CB 4.16Å; F231-L234 HydrophobicContact CB-CD2 4.26Å; F231-L234 HydrophobicContact CD1-CD2 3.4Å; F231-L234 HydrophobicContact CE1-CD2 3.79Å; F231-L234 HydrophobicContact CG-CD2 3.83Å; S232-L234 PolarHBondContact O-N 2.82Å; L234-S236 PolarHBondContact O-N 3.13Å; L234-Y237 WeakPolarHBondContact O-CB 3.26Å; L234-Y237 PolarHBondContact O-N 3.45Å; L234-F238 HydrophobicContact CD1-CE2 4.18Å; L234-F238 HydrophobicContact CD1-CZ 4.24Å; L234-F238 HydrophobicContact CD2-CE2 4.28Å; L234-F238 HydrophobicContact CG-CE2 3.84Å; L234-F238 HydrophobicContact CG-CZ 4.35Å
235	L	96.1	Very high	96.2	Very high	2 Å²	2	11.3 Å²	11.3	1%	0.01	6%	0.056	C	C	.	.	G	3₁₀ helix	trans	-63.8	-29.7	-168.6	-63.1	-175.8	0	0	0	113.1	F231 Y237 F238 R244 C247 I263 W281	F231-L235 HydrophobicContact CD2-CD1 4.32Å; F231-L235 HydrophobicContact CD2-CD2 3.86Å; F231-L235 HydrophobicContact CD2-CG 4.14Å; F231-L235 HydrophobicContact CE2-CD2 4.2Å; L235-Y237 PolarHBondContact O-N 2.81Å; L235-F238 PolarHBondContact O-N 2.83Å; L235-R244 HydrophobicContact CB-CB 4.5Å; L235-R244 HydrophobicContact CB-CG 4.15Å; L235-R244 HydrophobicContact CD2-CB 4.13Å; L235-R244 HydrophobicContact CD2-CG 4.43Å; L235-R244 VanDerWaalsContact O-CD 3.26Å; L235-R244 WeakPolarHBondContact O-CD 3.48Å; L235-R244 VanDerWaalsContact O-CG 3.3Å; L235-R244 WeakPolarHBondContact O-CG 3.33Å; L235-R244 PolarHBondContact O-NE 3.37Å; L235-C247 HydrophobicContact CD2-CB 3.91Å; L235-I263 HydrophobicContact CD1-CD1 4.27Å; L235-I263 HydrophobicContact CD1-CG2 3.96Å; L235-W281 HydrophobicContact CB-CH2 4.19Å; L235-W281 HydrophobicContact CD1-CH2 4.18Å; L235-W281 HydrophobicContact CD1-CZ3 3.87Å
236	S	91.5	Very high	96.2	Very high	15 Å²	15	12.7 Å²	12.7	11%	0.105	6%	0.063	C	C	.	.	G	3₁₀ helix	trans	-71.3	-13.2	177.4	-52.7	0	0	0	0	113.9	R49 L234 T265 P266	R49-S236 PolarHBondContact NH1-O 3.48Å; L234-S236 PolarHBondContact O-N 3.13Å; S236-T265 PolarHBondContact OG-OG1 3.06Å; S236-P266 VanDerWaalsContact OG-CD 3.26Å; S236-P266 WeakPolarHBondContact OG-CD 3.37Å
237	Y	94.6	Very high	96.3	Very high	14 Å²	14	12.7 Å²	12.7	6%	0.055	6%	0.063	C	C	.	.	G	3₁₀ helix	trans	-70.9	-38.5	174.8	-176.7	-150.2	0	0	0	111.9	V44 H45 L48 W62 H65 Y75 L234 L235	V44-Y237 HydrophobicContact CG1-CE2 4.29Å; H45-Y237 AromaticContact CD2-CD2 3.39Å; H45-Y237 WeakPolarHBondContact CD2-CD2 3.07Å; H45-Y237 AromaticContact CD2-CE2 3.83Å; H45-Y237 AromaticContact NE2-CD2 3.27Å; H45-Y237 VanDerWaalsContact NE2-CD2 3.27Å; H45-Y237 WeakPolarHBondContact NE2-CD2 3.46Å; H45-Y237 AromaticContact NE2-CE2 3.91Å; L48-Y237 HydrophobicContact CD1-CD2 4.5Å; L48-Y237 HydrophobicContact CD1-CE2 4.08Å; W62-Y237 AromaticContact CH2-CD1 3.87Å; W62-Y237 HydrophobicContact CH2-CD1 3.87Å; W62-Y237 AromaticContact CH2-CE1 3.47Å; W62-Y237 HydrophobicContact CH2-CE1 3.47Å; W62-Y237 VanDerWaalsContact CH2-CE1 3.47Å; W62-Y237 HydrophobicContact CZ3-CD1 4.31Å; W62-Y237 HydrophobicContact CZ3-CE1 4Å; H65-Y237 AromaticContact NE2-CZ 3.58Å; H65-Y237 PolarHBondContact NE2-OH 3.45Å; Y75-Y237 HydrophobicContact CE1-CE2 4.38Å; Y75-Y237 HydrophobicContact CE2-CE2 4.15Å; Y75-Y237 AromaticContact CZ-CE2 3.93Å; L234-Y237 WeakPolarHBondContact O-CB 3.26Å; L234-Y237 PolarHBondContact O-N 3.45Å; L235-Y237 PolarHBondContact O-N 2.81Å
238	F	95.6	Very high	96.3	Very high	4 Å²	4	12 Å²	12	2%	0.018	6%	0.06	C	C	.	.	S	Bend	trans	-73	137.1	-174	-60.4	-67.8	0	0	0	111.7	W62 L192 L234 L235 Q243 R244 C247	W62-F238 HydrophobicContact CE3-CD1 4.36Å; W62-F238 AromaticContact CH2-CD1 3.92Å; W62-F238 HydrophobicContact CH2-CD1 3.92Å; W62-F238 AromaticContact CH2-CE1 3.55Å; W62-F238 HydrophobicContact CH2-CE1 3.55Å; W62-F238 HydrophobicContact CZ2-CD1 4.39Å; W62-F238 AromaticContact CZ2-CE1 3.73Å; W62-F238 HydrophobicContact CZ2-CE1 3.73Å; W62-F238 AromaticContact CZ3-CD1 3.92Å; W62-F238 HydrophobicContact CZ3-CD1 3.92Å; W62-F238 HydrophobicContact CZ3-CE1 4.04Å; L192-F238 HydrophobicContact CD1-CD1 3.63Å; L192-F238 HydrophobicContact CD1-CE1 3.41Å; L192-F238 VanDerWaalsContact CD1-CE1 3.41Å; L192-F238 HydrophobicContact CD1-CZ 4.33Å; L192-F238 HydrophobicContact CD2-CE1 4.28Å; L192-F238 HydrophobicContact CD2-CZ 4.48Å; L192-F238 HydrophobicContact CG-CD1 4.28Å; L192-F238 HydrophobicContact CG-CE1 3.65Å; L192-F238 HydrophobicContact CG-CZ 4.11Å; L234-F238 HydrophobicContact CD1-CE2 4.18Å; L234-F238 HydrophobicContact CD1-CZ 4.24Å; L234-F238 HydrophobicContact CD2-CE2 4.28Å; L234-F238 HydrophobicContact CG-CE2 3.84Å; L234-F238 HydrophobicContact CG-CZ 4.35Å; L235-F238 PolarHBondContact O-N 2.83Å; F238-Q243 HydrophobicContact CB-CB 3.86Å; F238-Q243 HydrophobicContact CD1-CB 4.22Å; F238-Q243 HydrophobicContact CG-CB 4.08Å; F238-R244 HydrophobicContact CB-CG 4.04Å; F238-R244 HydrophobicContact CD2-CG 4.28Å; F238-R244 PolarHBondContact O-NE 2.86Å; F238-R244 PolarHBondContact O-NH2 3.13Å; F238-C247 WeakPolarHBondContact CE2-SG 3.44Å; F238-C247 VanDerWaalsContact CZ-SG 3.53Å
239	P	93.8	Very high	96.3	Very high	3 Å²	3	15.3 Å²	15.3	2%	0.019	7%	0.074	C	C	.	.	S	Bend	trans	-75.1	-23.6	-178.2	28.8	-35.4	0	0	0	114.2	L48 R49 Y52 Q243	L48-P239 HydrophobicContact CB-CB 4.08Å; L48-P239 HydrophobicContact CB-CG 4.22Å; R49-P239 HydrophobicContact CG-CB 4.02Å; Y52-P239 WeakPolarHBondContact CD1-O 3.35Å; Y52-P239 HydrophobicContact CG-CB 4.35Å; P239-Q243 VanDerWaalsContact CG-OE1 3.26Å
240	S	95.1	Very high	96.2	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.079	C	C	.	.	S	Bend	trans	-114.3	145.5	-179.2	80.5	0	0	0	0	113.9	Y52 Y242 Q243 R244	Y52-S240 VanDerWaalsContact CE1-CB 3.41Å; S240-Y242 PolarHBondContact O-N 3.32Å; S240-Q243 PolarHBondContact O-N 3.01Å; S240-Q243 VanDerWaalsContact OG-CG 3.31Å; S240-Q243 WeakPolarHBondContact OG-CG 3.48Å; S240-Q243 PolarHBondContact OG-N 3.07Å; S240-Q243 PolarHBondContact OG-OE1 2.82Å; S240-R244 PolarHBondContact O-N 2.89Å
241	P	95.6	Very high	96.2	Very high	8 Å²	8	16.5 Å²	16.5	5%	0.052	8%	0.079	C	C	.	.	H	α-helix	trans	-55.7	-36.4	168.5	-24.7	33.9	0	0	0	112.6	Q243 R244 W245 P323	P241-Q243 PolarHBondContact O-N 3.42Å; P241-R244 WeakPolarHBondContact O-CB 3.37Å; P241-R244 PolarHBondContact O-N 3.49Å; P241-W245 PolarHBondContact O-N 3.21Å; P241-P323 CarbonylContact C-O 3.47Å; P241-P323 VanDerWaalsContact CB-O 3.24Å; P241-P323 WeakPolarHBondContact CB-O 3.36Å
242	Y	95.4	Very high	96.2	Very high	80 Å²	80	16.5 Å²	16.5	31%	0.314	8%	0.08	S	C	.	.	H	α-helix	trans	-61.6	-42.4	179	-166	-97.8	0	0	0	113	F58 S240 R244 W245 I246 P323	F58-Y242 AromaticContact CE1-CD1 3.64Å; F58-Y242 HydrophobicContact CE1-CD1 3.64Å; F58-Y242 HydrophobicContact CE1-CE1 4.15Å; F58-Y242 HydrophobicContact CE1-CG 4.35Å; F58-Y242 HydrophobicContact CE2-CD1 4.04Å; F58-Y242 HydrophobicContact CE2-CE1 4.42Å; F58-Y242 AromaticContact CZ-CD1 3.38Å; F58-Y242 HydrophobicContact CZ-CD1 3.38Å; F58-Y242 AromaticContact CZ-CE1 3.62Å; F58-Y242 HydrophobicContact CZ-CE1 3.62Å; F58-Y242 HydrophobicContact CZ-CG 4.47Å; S240-Y242 PolarHBondContact O-N 3.32Å; Y242-R244 VanDerWaalsContact C-N 3.34Å; Y242-R244 PolarHBondContact O-N 2.86Å; Y242-W245 HydrophobicContact CE2-CE3 4.39Å; Y242-W245 WeakPolarHBondContact O-CB 3.48Å; Y242-W245 PolarHBondContact O-N 3.3Å; Y242-I246 HydrophobicContact CD1-CD1 3.57Å; Y242-I246 HydrophobicContact CD1-CG1 4.15Å; Y242-I246 HydrophobicContact CE1-CD1 3.51Å; Y242-I246 HydrophobicContact CE1-CG1 3.98Å; Y242-I246 WeakPolarHBondContact O-CG1 3.5Å; Y242-I246 PolarHBondContact O-N 3.13Å; Y242-P323 HydrophobicContact CD2-CB 3.44Å; Y242-P323 VanDerWaalsContact CD2-CB 3.44Å; Y242-P323 HydrophobicContact CD2-CG 3.8Å; Y242-P323 HydrophobicContact CE2-CB 4.09Å; Y242-P323 HydrophobicContact CE2-CG 3.9Å; Y242-P323 HydrophobicContact CG-CB 4.34Å
243	Q	97	Very high	96.3	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.009	9%	0.086	C	C	.	.	H	α-helix	trans	-63	-41	174.9	-76.4	171.1	-62.2	0	0	111.9	F58 L192 F238 P239 S240 P241 W245 I246 C247	F58-Q243 HydrophobicContact CB-CG 4.38Å; F58-Q243 HydrophobicContact CD2-CG 3.67Å; F58-Q243 HydrophobicContact CE2-CG 4.32Å; F58-Q243 HydrophobicContact CG-CG 4.21Å; L192-Q243 HydrophobicContact CD1-CB 4.07Å; L192-Q243 HydrophobicContact CD1-CG 3.8Å; L192-Q243 VanDerWaalsContact CD1-NE2 3.27Å; L192-Q243 HydrophobicContact CD2-CB 4.13Å; L192-Q243 HydrophobicContact CD2-CG 4.41Å; L192-Q243 WeakPolarHBondContact CD2-O 3.27Å; F238-Q243 HydrophobicContact CB-CB 3.86Å; F238-Q243 HydrophobicContact CD1-CB 4.22Å; F238-Q243 HydrophobicContact CG-CB 4.08Å; P239-Q243 VanDerWaalsContact CG-OE1 3.26Å; S240-Q243 PolarHBondContact O-N 3.01Å; S240-Q243 VanDerWaalsContact OG-CG 3.31Å; S240-Q243 WeakPolarHBondContact OG-CG 3.48Å; S240-Q243 PolarHBondContact OG-N 3.07Å; S240-Q243 PolarHBondContact OG-OE1 2.82Å; P241-Q243 PolarHBondContact O-N 3.42Å; Q243-W245 VanDerWaalsContact C-N 3.27Å; Q243-W245 PolarHBondContact O-N 2.82Å; Q243-I246 WeakPolarHBondContact O-CB 3.41Å; Q243-I246 PolarHBondContact O-N 3.29Å; Q243-C247 PolarHBondContact O-N 3.12Å; Q243-C247 PolarHBondContact O-SG 3.35Å; Q243-C247 VanDerWaalsContact O-SG 3.35Å
244	R	97.9	Very high	96.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-62.4	-38.2	175.8	-59.6	174.3	-160.2	127.1	7.9	111.3	L235 F238 S240 P241 Y242 C247 C248 L326 I328 D331	L235-R244 HydrophobicContact CB-CB 4.5Å; L235-R244 HydrophobicContact CB-CG 4.15Å; L235-R244 HydrophobicContact CD2-CB 4.13Å; L235-R244 HydrophobicContact CD2-CG 4.43Å; L235-R244 VanDerWaalsContact O-CD 3.26Å; L235-R244 WeakPolarHBondContact O-CD 3.48Å; L235-R244 VanDerWaalsContact O-CG 3.3Å; L235-R244 WeakPolarHBondContact O-CG 3.33Å; L235-R244 PolarHBondContact O-NE 3.37Å; F238-R244 HydrophobicContact CB-CG 4.04Å; F238-R244 HydrophobicContact CD2-CG 4.28Å; F238-R244 PolarHBondContact O-NE 2.86Å; F238-R244 PolarHBondContact O-NH2 3.13Å; S240-R244 PolarHBondContact O-N 2.89Å; P241-R244 WeakPolarHBondContact O-CB 3.37Å; P241-R244 PolarHBondContact O-N 3.49Å; Y242-R244 VanDerWaalsContact C-N 3.34Å; Y242-R244 PolarHBondContact O-N 2.86Å; R244-C247 WeakPolarHBondContact O-CB 3.45Å; R244-C247 PolarHBondContact O-N 3.17Å; R244-C248 PolarHBondContact O-N 3.01Å; R244-C248 VanDerWaalsContact O-N 3.17Å; R244-C248 PolarHBondContact O-SG 3.12Å; R244-L326 HydrophobicContact CB-CB 4.12Å; R244-L326 HydrophobicContact CB-CD1 4.4Å; R244-L326 VanDerWaalsContact CD-O 3.31Å; R244-L326 WeakPolarHBondContact CD-O 3.43Å; R244-L326 PolarHBondContact NH1-O 3.04Å; R244-I328 VanDerWaalsContact NH2-CD1 3.27Å; R244-D331 IonicContact CZ-OD1 3.58Å; R244-D331 IonicContact CZ-OD2 3.9Å; R244-D331 IonicContact NH1-OD1 3.99Å; R244-D331 IonicContact NH1-OD2 2.76Å; R244-D331 PolarHBondContact NH1-OD2 3.02Å; R244-D331 IonicContact NH2-OD1 3.84Å; R244-D331 PolarHBondContact NH2-OD1 2.96Å; R244-D331 IonicContact NH2-OD2 3.54Å
245	W	97.2	Very high	96.7	Very high	9 Å²	9	15.8 Å²	15.8	3%	0.034	7%	0.072	C	C	.	.	H	α-helix	trans	-64.5	-44.6	173.6	-176.8	84.6	0	0	0	112.4	P241 Y242 Q243 C247 C248 K249 L288 L317 P323 L326	P241-W245 PolarHBondContact O-N 3.21Å; Y242-W245 HydrophobicContact CE2-CE3 4.39Å; Y242-W245 WeakPolarHBondContact O-CB 3.48Å; Y242-W245 PolarHBondContact O-N 3.3Å; Q243-W245 VanDerWaalsContact C-N 3.27Å; Q243-W245 PolarHBondContact O-N 2.82Å; W245-C247 VanDerWaalsContact C-N 3.27Å; W245-C247 PolarHBondContact O-N 3.46Å; W245-C248 PolarHBondContact O-N 3.34Å; W245-C248 VanDerWaalsContact O-N 3.12Å; W245-K249 HydrophobicContact CH2-CD 3.81Å; W245-K249 HydrophobicContact CH2-CG 4.48Å; W245-K249 HydrophobicContact CZ3-CD 4.01Å; W245-K249 PolarHBondContact O-N 2.98Å; W245-L288 HydrophobicContact CZ2-CD2 3.57Å; W245-L317 HydrophobicContact CH2-CD1 3.81Å; W245-L317 HydrophobicContact CH2-CD2 4.09Å; W245-L317 HydrophobicContact CH2-CG 4.4Å; W245-L317 HydrophobicContact CZ2-CD1 4.32Å; W245-L317 HydrophobicContact CZ2-CD2 3.8Å; W245-L317 HydrophobicContact CZ2-CG 4.43Å; W245-L317 HydrophobicContact CZ3-CD1 4.46Å; W245-P323 HydrophobicContact CB-CB 4Å; W245-P323 HydrophobicContact CD2-CB 4.33Å; W245-P323 HydrophobicContact CD2-CG 3.88Å; W245-P323 HydrophobicContact CE3-CG 4.22Å; W245-P323 HydrophobicContact CG-CB 4Å; W245-P323 HydrophobicContact CG-CG 3.99Å; W245-L326 HydrophobicContact CB-CD1 3.74Å; W245-L326 HydrophobicContact CG-CD1 4.36Å
246	I	97	Very high	96.7	Very high	34 Å²	34	18.3 Å²	18.3	17%	0.174	8%	0.084	C	C	.	.	H	α-helix	trans	-55.8	-43.9	174	-69.5	163.5	0	0	0	110.6	F58 L192 Y242 Q243 C248 K249 K250	F58-I246 HydrophobicContact CE2-CD1 4.32Å; L192-I246 HydrophobicContact CD2-CB 4.05Å; L192-I246 HydrophobicContact CD2-CG2 3.86Å; Y242-I246 HydrophobicContact CD1-CD1 3.57Å; Y242-I246 HydrophobicContact CD1-CG1 4.15Å; Y242-I246 HydrophobicContact CE1-CD1 3.51Å; Y242-I246 HydrophobicContact CE1-CG1 3.98Å; Y242-I246 WeakPolarHBondContact O-CG1 3.5Å; Y242-I246 PolarHBondContact O-N 3.13Å; Q243-I246 WeakPolarHBondContact O-CB 3.41Å; Q243-I246 PolarHBondContact O-N 3.29Å; I246-C248 PolarHBondContact O-N 3.39Å; I246-K249 WeakPolarHBondContact O-CB 3.42Å; I246-K249 PolarHBondContact O-N 3.11Å; I246-K250 HydrophobicContact CG2-CD 4.27Å; I246-K250 HydrophobicContact CG2-CG 4.42Å; I246-K250 PolarHBondContact O-N 2.73Å
247	C	98.5	Very high	96.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-58.6	-47.6	176.6	-65.6	0	0	0	0	111.7	F191 L192 F231 L235 F238 Q243 R244 W245 K249 K250 A251	F191-C247 HydrophobicContact CD1-CB 4.25Å; F191-C247 HydrophobicContact CE1-CB 3.98Å; L192-C247 VanDerWaalsContact CD2-SG 3.56Å; F231-C247 HydrophobicContact CE2-CB 3.9Å; F231-C247 HydrophobicContact CZ-CB 3.89Å; F231-C247 WeakPolarHBondContact CZ-O 3.47Å; L235-C247 HydrophobicContact CD2-CB 3.91Å; F238-C247 WeakPolarHBondContact CE2-SG 3.44Å; F238-C247 VanDerWaalsContact CZ-SG 3.53Å; Q243-C247 PolarHBondContact O-N 3.12Å; Q243-C247 PolarHBondContact O-SG 3.35Å; Q243-C247 VanDerWaalsContact O-SG 3.35Å; R244-C247 WeakPolarHBondContact O-CB 3.45Å; R244-C247 PolarHBondContact O-N 3.17Å; W245-C247 VanDerWaalsContact C-N 3.27Å; W245-C247 PolarHBondContact O-N 3.46Å; C247-K249 VanDerWaalsContact C-N 3.3Å; C247-K249 PolarHBondContact O-N 2.92Å; C247-K250 PolarHBondContact O-N 3.33Å; C247-A251 WeakPolarHBondContact O-CB 3.31Å; C247-A251 PolarHBondContact O-N 3.41Å
248	C	98.4	Very high	96.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-62.3	-38.5	177.8	-62.6	0	0	0	0	111.9	R244 W245 I246 A251 H252 L288	R244-C248 PolarHBondContact O-N 3.01Å; R244-C248 VanDerWaalsContact O-N 3.17Å; R244-C248 PolarHBondContact O-SG 3.12Å; W245-C248 PolarHBondContact O-N 3.34Å; W245-C248 VanDerWaalsContact O-N 3.12Å; I246-C248 PolarHBondContact O-N 3.39Å; C248-A251 PolarHBondContact O-N 3.41Å; C248-H252 PolarHBondContact O-N 3.21Å; C248-L288 HydrophobicContact CB-CD1 3.55Å
249	K	97.6	Very high	97	Very high	70 Å²	70	21.2 Å²	21.2	30%	0.304	10%	0.098	S	C	.	.	H	α-helix	trans	-63.6	-48.3	175.5	-170.3	-164.7	173.7	-165.6	0	111.5	W245 I246 C247 A251 H252 E253 L288 T313	W245-K249 HydrophobicContact CH2-CD 3.81Å; W245-K249 HydrophobicContact CH2-CG 4.48Å; W245-K249 HydrophobicContact CZ3-CD 4.01Å; W245-K249 PolarHBondContact O-N 2.98Å; I246-K249 WeakPolarHBondContact O-CB 3.42Å; I246-K249 PolarHBondContact O-N 3.11Å; C247-K249 VanDerWaalsContact C-N 3.3Å; C247-K249 PolarHBondContact O-N 2.92Å; K249-A251 VanDerWaalsContact C-N 3.34Å; K249-A251 PolarHBondContact O-N 3.31Å; K249-H252 VanDerWaalsContact O-CB 3.24Å; K249-H252 WeakPolarHBondContact O-CB 3.21Å; K249-H252 PolarHBondContact O-N 3.47Å; K249-H252 VanDerWaalsContact O-N 3.11Å; K249-E253 PolarHBondContact O-N 3.46Å; K249-E253 VanDerWaalsContact O-N 3.09Å; K249-L288 HydrophobicContact CB-CD1 4.4Å; K249-L288 HydrophobicContact CB-CD2 4.04Å; K249-L288 HydrophobicContact CG-CD2 4.08Å; K249-T313 HydrophobicContact CG-CG2 4.11Å
250	K	98.3	Very high	97.3	Very high	24 Å²	24	21.1 Å²	21.1	10%	0.104	10%	0.097	C	C	.	.	H	α-helix	trans	-63.2	-40	176.9	-73.4	-178.5	-170.5	-91.4	0	112.2	F191 L192 L194 L196 I246 C247 H252 E253 L254	F191-K250 HydrophobicContact CE1-CB 4.13Å; F191-K250 HydrophobicContact CZ-CB 3.85Å; F191-K250 WeakPolarHBondContact O-CD 3.31Å; F191-K250 VanDerWaalsContact O-CE 3.26Å; F191-K250 WeakPolarHBondContact O-CE 3.49Å; L192-K250 WeakPolarHBondContact O-CE 3.39Å; L192-K250 PolarHBondContact O-NZ 2.9Å; L192-K250 VanDerWaalsContact O-NZ 3.08Å; L194-K250 PolarHBondContact O-NZ 3.04Å; L196-K250 HydrophobicContact CD1-CB 4.5Å; L196-K250 HydrophobicContact CD1-CG 4.32Å; I246-K250 HydrophobicContact CG2-CD 4.27Å; I246-K250 HydrophobicContact CG2-CG 4.42Å; I246-K250 PolarHBondContact O-N 2.73Å; C247-K250 PolarHBondContact O-N 3.33Å; K250-H252 VanDerWaalsContact C-N 3.28Å; K250-H252 PolarHBondContact O-N 2.94Å; K250-E253 PolarHBondContact O-N 3.3Å; K250-E253 VanDerWaalsContact O-N 3.14Å; K250-L254 WeakPolarHBondContact O-CB 2.89Å; K250-L254 WeakPolarHBondContact O-CG 3.4Å; K250-L254 PolarHBondContact O-N 3.05Å
251	A	98.7	Very high	97.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-58.6	-42	172.9	0	0	0	0	0	111.5	V229 F231 C247 C248 K249 E253 L254 L255 L261	V229-A251 HydrophobicContact CB-CB 4.24Å; V229-A251 HydrophobicContact CG1-CB 3.84Å; V229-A251 HydrophobicContact CG2-CB 4.44Å; F231-A251 HydrophobicContact CE1-CB 4.46Å; F231-A251 HydrophobicContact CE2-CB 4.16Å; F231-A251 HydrophobicContact CZ-CB 3.67Å; C247-A251 WeakPolarHBondContact O-CB 3.31Å; C247-A251 PolarHBondContact O-N 3.41Å; C248-A251 PolarHBondContact O-N 3.41Å; K249-A251 VanDerWaalsContact C-N 3.34Å; K249-A251 PolarHBondContact O-N 3.31Å; A251-E253 VanDerWaalsContact C-N 3.32Å; A251-E253 PolarHBondContact O-N 2.96Å; A251-L254 PolarHBondContact O-N 3.39Å; A251-L255 WeakPolarHBondContact O-CB 3.44Å; A251-L255 WeakPolarHBondContact O-CD1 3.31Å; A251-L255 WeakPolarHBondContact O-CG 3.24Å; A251-L255 PolarHBondContact O-N 3.3Å; A251-L261 HydrophobicContact CB-CD1 3.89Å; A251-L261 HydrophobicContact CB-CD2 4.27Å
252	H	98.3	Very high	97.6	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-56.8	-46.6	173.6	-178.4	-85.2	0	0	0	111.7	C248 K249 K250 L255 L288 F290 K308 S310 T313	C248-H252 PolarHBondContact O-N 3.21Å; K249-H252 VanDerWaalsContact O-CB 3.24Å; K249-H252 WeakPolarHBondContact O-CB 3.21Å; K249-H252 PolarHBondContact O-N 3.47Å; K249-H252 VanDerWaalsContact O-N 3.11Å; K250-H252 VanDerWaalsContact C-N 3.28Å; K250-H252 PolarHBondContact O-N 2.94Å; H252-L255 PolarHBondContact O-N 3.5Å; H252-L288 PolarHBondContact CD2-O 3.4Å; H252-L288 PolarHBondContact NE2-O 3.2Å; H252-F290 VanDerWaalsContact CA-CZ 3.49Å; H252-F290 HydrophobicContact CB-CE2 3.55Å; H252-F290 HydrophobicContact CB-CZ 3.62Å; H252-F290 AromaticContact CD2-CE2 3.87Å; H252-F290 AromaticContact CD2-CZ 3.99Å; H252-K308 VanDerWaalsContact CE1-CE 3.44Å; H252-K308 WeakPolarHBondContact CE1-CE 2.9Å; H252-K308 WeakPolarHBondContact NE2-CE 3.35Å; H252-K308 WeakPolarHBondContact O-CD 3.39Å; H252-K308 WeakPolarHBondContact O-CE 3.48Å; H252-K308 PolarHBondContact O-NZ 3.2Å; H252-S310 PolarHBondContact CE1-O 3.44Å; H252-S310 PolarHBondContact NE2-O 3.47Å; H252-T313 HydrophobicContact CB-CG2 4.22Å; H252-T313 WeakPolarHBondContact ND1-CG2 3.49Å
253	E	97.8	Very high	97.7	Very high	65 Å²	65	17 Å²	17	30%	0.304	8%	0.081	S	C	.	.	H	α-helix	trans	-69.5	-36.1	-177.9	-66.4	177.7	104	0	0	112.6	L196 A223 Q224 K249 K250 A251	L196-E253 HydrophobicContact CD1-CB 3.35Å; L196-E253 HydrophobicContact CD1-CG 4.06Å; L196-E253 WeakPolarHBondContact CD1-OE2 3.19Å; A223-E253 CarbonylContact C-O 3.58Å; A223-E253 WeakPolarHBondContact CA-O 3.23Å; A223-E253 WeakPolarHBondContact CB-O 3.36Å; Q224-E253 PolarHBondContact N-O 3.41Å; K249-E253 PolarHBondContact O-N 3.46Å; K249-E253 VanDerWaalsContact O-N 3.09Å; K250-E253 PolarHBondContact O-N 3.3Å; K250-E253 VanDerWaalsContact O-N 3.14Å; A251-E253 VanDerWaalsContact C-N 3.32Å; A251-E253 PolarHBondContact O-N 2.96Å
254	L	98.3	Very high	97.7	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-73.5	-25.9	176.7	-73.3	166.8	0	0	0	113.8	L157 F191 L194 L196 L221 Q224 L225 F226 K250 A251	L157-L254 HydrophobicContact CD2-CD1 3.82Å; F191-L254 HydrophobicContact CE2-CD1 3.58Å; F191-L254 HydrophobicContact CZ-CD1 4.01Å; L194-L254 HydrophobicContact CD2-CD1 4.08Å; L196-L254 HydrophobicContact CD2-CD1 4.25Å; L196-L254 HydrophobicContact CD2-CD2 3.58Å; L196-L254 HydrophobicContact CD2-CG 3.77Å; L221-L254 HydrophobicContact CB-CD2 3.82Å; L221-L254 HydrophobicContact CD1-CD2 4.4Å; Q224-L254 CarbonylContact C-O 3.35Å; Q224-L254 WeakPolarHBondContact CA-O 3.44Å; Q224-L254 PolarHBondContact N-O 2.91Å; L225-L254 PolarHBondContact N-O 3.17Å; F226-L254 HydrophobicContact CD2-CB 4.3Å; F226-L254 HydrophobicContact CE2-CD2 4.37Å; F226-L254 PolarHBondContact N-O 2.98Å; F226-L254 VanDerWaalsContact N-O 3.1Å; K250-L254 WeakPolarHBondContact O-CB 2.89Å; K250-L254 WeakPolarHBondContact O-CG 3.4Å; K250-L254 PolarHBondContact O-N 3.05Å; A251-L254 PolarHBondContact O-N 3.39Å
255	L	98.3	Very high	97.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	137.7	178.7	-77.2	168.3	0	0	0	112.2	F226 H227 V229 A251 H252 L260 L261 F290 K308	F226-L255 WeakPolarHBondContact O-CA 3.4Å; H227-L255 WeakPolarHBondContact O-CD2 3.38Å; V229-L255 HydrophobicContact CB-CD1 4.44Å; V229-L255 HydrophobicContact CB-CD2 4.32Å; V229-L255 HydrophobicContact CB-CG 4.35Å; V229-L255 HydrophobicContact CG2-CD1 4.31Å; V229-L255 HydrophobicContact CG2-CD2 3.75Å; V229-L255 HydrophobicContact CG2-CG 3.71Å; A251-L255 WeakPolarHBondContact O-CB 3.44Å; A251-L255 WeakPolarHBondContact O-CD1 3.31Å; A251-L255 WeakPolarHBondContact O-CG 3.24Å; A251-L255 PolarHBondContact O-N 3.3Å; H252-L255 PolarHBondContact O-N 3.5Å; L255-L260 WeakPolarHBondContact CD2-O 3.26Å; L255-L261 HydrophobicContact CD1-CB 3.97Å; L255-F290 HydrophobicContact CD1-CE1 3.73Å; L255-F290 HydrophobicContact CD1-CZ 4.01Å; L255-K308 HydrophobicContact CB-CD 3.96Å; L255-K308 PolarHBondContact O-NZ 3.27Å
256	E	95	Very high	97	Very high	55 Å²	55	19.3 Å²	19.3	26%	0.257	10%	0.097	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	157.9	162.1	-70.4	-172	165.3	0	0	111.1	R155 Q224 F226 H227 H258 G259	R155-E256 IonicContact CZ-OE1 2.87Å; R155-E256 IonicContact NH1-OE1 3.62Å; R155-E256 IonicContact NH2-OE1 2.82Å; R155-E256 PolarHBondContact NH2-OE1 2.82Å; R155-E256 IonicContact NH2-OE2 2.99Å; R155-E256 PolarHBondContact NH2-OE2 3.42Å; Q224-E256 HydrophobicContact CB-CG 4.11Å; Q224-E256 WeakPolarHBondContact O-CG 3.17Å; F226-E256 PolarHBondContact O-N 2.99Å; H227-E256 IonicContact CD2-OE2 2.54Å; H227-E256 PolarHBondContact CD2-OE2 2.91Å; H227-E256 VanDerWaalsContact CD2-OE2 3.29Å; H227-E256 IonicContact NE2-OE2 3.03Å; E256-H258 PolarHBondContact O-N 3.36Å; E256-G259 PolarHBondContact O-N 3.1Å
257	L	95.3	Very high	96.3	Very high	62 Å²	62	18.3 Å²	18.3	33%	0.325	9%	0.092	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	135.9	172.8	-174.1	64.5	0	0	0	109.8	G259 K308 L311	L257-G259 PolarHBondContact O-N 3.2Å; L257-K308 HydrophobicContact CD1-CG 4.45Å; L257-L311 HydrophobicContact CB-CD2 4.08Å; L257-L311 HydrophobicContact CD2-CD2 4.25Å; L257-L311 HydrophobicContact CD2-CG 4.48Å
258	H	96.3	Very high	94.7	Very high	31 Å²	31	20.1 Å²	20.1	14%	0.144	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	68.3	5.9	-172.6	-46.6	-46.3	0	0	0	115.9	Y107 M113 E256 K308	Y107-H258 VanDerWaalsContact CE1-O 3.29Å; Y107-H258 WeakPolarHBondContact CE1-O 3.44Å; Y107-H258 PolarHBondContact OH-O 2.94Å; M113-H258 HydrophobicContact CE-CB 3.81Å; M113-H258 HydrophobicContact SD-CB 4.13Å; E256-H258 PolarHBondContact O-N 3.36Å; H258-K308 WeakPolarHBondContact CA-O 3.24Å; H258-K308 PolarHBondContact N-O 2.82Å
259	G	98	Very high	92.6	Very high	2 Å²	2	24.5 Å²	24.5	2%	0.021	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	164.8	167.3	0	0	0	0	0	113.1	H227 E256 L257 R307 K308	H227-G259 CarbonylContact O-C 3.58Å; H227-G259 WeakPolarHBondContact O-CA 3.29Å; E256-G259 PolarHBondContact O-N 3.1Å; L257-G259 PolarHBondContact O-N 3.2Å; G259-R307 WeakPolarHBondContact O-CA 3.48Å; G259-K308 PolarHBondContact O-N 3.22Å
260	L	98.8	Very high	90.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	131.4	-176.3	-63.9	-175.5	0	0	0	112.6	V103 Y107 F108 H227 V228 V229 L255 L262 F306 R307	V103-L260 HydrophobicContact CG1-CD1 4.18Å; Y107-L260 HydrophobicContact CD1-CD1 3.58Å; Y107-L260 HydrophobicContact CD1-CD2 3.78Å; Y107-L260 HydrophobicContact CD1-CG 3.67Å; Y107-L260 HydrophobicContact CD2-CD2 4.18Å; Y107-L260 HydrophobicContact CE1-CD1 4.23Å; Y107-L260 HydrophobicContact CE1-CD2 3.64Å; Y107-L260 HydrophobicContact CE1-CG 3.79Å; Y107-L260 HydrophobicContact CE2-CD2 4.09Å; Y107-L260 HydrophobicContact CG-CD1 3.8Å; Y107-L260 HydrophobicContact CG-CD2 4.03Å; Y107-L260 HydrophobicContact CG-CG 4.22Å; F108-L260 HydrophobicContact CD2-CD1 4.48Å; F108-L260 HydrophobicContact CE2-CD1 3.76Å; F108-L260 HydrophobicContact CE2-CG 3.9Å; F108-L260 HydrophobicContact CZ-CD1 4.32Å; F108-L260 HydrophobicContact CZ-CG 3.97Å; H227-L260 PolarHBondContact O-N 3.16Å; V228-L260 CarbonylContact C-O 3.45Å; V228-L260 VanDerWaalsContact CA-O 3.32Å; V228-L260 WeakPolarHBondContact CA-O 3.43Å; V229-L260 PolarHBondContact N-O 3.35Å; L255-L260 WeakPolarHBondContact CD2-O 3.26Å; L260-L262 HydrophobicContact CB-CD2 4.25Å; L260-L262 HydrophobicContact CD1-CD2 4.42Å; L260-F306 CarbonylContact C-O 3.54Å; L260-F306 VanDerWaalsContact CA-O 3.31Å; L260-F306 WeakPolarHBondContact CA-O 3.21Å; L260-R307 HydrophobicContact CD2-CB 4.15Å
261	L	98.9	Very high	88.3	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	119.3	160.9	172.6	58.8	0	0	0	108.5	V229 F231 A251 L255 I263 V285 F290 A305 F306	V229-L261 HydrophobicContact CB-CD1 4.25Å; V229-L261 HydrophobicContact CG1-CD1 4.11Å; V229-L261 WeakPolarHBondContact O-CA 3.31Å; F231-L261 HydrophobicContact CD2-CD1 3.82Å; F231-L261 HydrophobicContact CE2-CD1 3.82Å; F231-L261 HydrophobicContact CG-CD1 4.23Å; F231-L261 HydrophobicContact CZ-CD1 4.24Å; A251-L261 HydrophobicContact CB-CD1 3.89Å; A251-L261 HydrophobicContact CB-CD2 4.27Å; L255-L261 HydrophobicContact CD1-CB 3.97Å; L261-I263 HydrophobicContact CD1-CG1 4.2Å; L261-I263 HydrophobicContact CD2-CD1 4.01Å; L261-I263 HydrophobicContact CD2-CG1 4.37Å; L261-I263 HydrophobicContact CG-CD1 4.16Å; L261-I263 HydrophobicContact CG-CG1 4Å; L261-V285 HydrophobicContact CD2-CG1 4.27Å; L261-F290 HydrophobicContact CB-CD1 4.44Å; L261-F290 HydrophobicContact CB-CE1 3.8Å; L261-F290 HydrophobicContact CB-CZ 4.03Å; L261-F290 HydrophobicContact CD2-CE1 4.35Å; L261-F290 HydrophobicContact CD2-CE2 3.97Å; L261-F290 HydrophobicContact CD2-CZ 3.83Å; L261-A305 WeakPolarHBondContact O-CA 3.48Å; L261-F306 HydrophobicContact CB-CB 4.3Å; L261-F306 PolarHBondContact N-O 3.11Å; L261-F306 PolarHBondContact O-N 3.46Å
262	L	98.8	Very high	86.2	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	121.1	177.4	-54.3	-177.1	0	0	0	109	W99 C100 V103 V228 V229 V230 F231 L260 A305	W99-L262 HydrophobicContact CZ3-CB 4.38Å; W99-L262 HydrophobicContact CZ3-CD2 4.42Å; C100-L262 HydrophobicContact CB-CD1 3.78Å; V103-L262 HydrophobicContact CG1-CD2 3.92Å; V228-L262 HydrophobicContact CG1-CD1 3.92Å; V228-L262 HydrophobicContact CG1-CG 4.17Å; V229-L262 PolarHBondContact O-N 3.38Å; V230-L262 HydrophobicContact CG2-CB 4.36Å; V230-L262 HydrophobicContact CG2-CD1 4.2Å; F231-L262 PolarHBondContact N-O 2.94Å; L260-L262 HydrophobicContact CB-CD2 4.25Å; L260-L262 HydrophobicContact CD1-CD2 4.42Å; L262-A305 HydrophobicContact CD2-CB 3.45Å; L262-A305 VanDerWaalsContact CD2-CB 3.45Å
263	I	98.3	Very high	84.6	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.01	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	122.8	-179.5	-61.7	170.7	0	0	0	108.6	F231 L235 L261 W281 V285 I304 F306	F231-I263 HydrophobicContact CB-CG1 4.36Å; F231-I263 HydrophobicContact CD2-CG1 4.15Å; L235-I263 HydrophobicContact CD1-CD1 4.27Å; L235-I263 HydrophobicContact CD1-CG2 3.96Å; L261-I263 HydrophobicContact CD1-CG1 4.2Å; L261-I263 HydrophobicContact CD2-CD1 4.01Å; L261-I263 HydrophobicContact CD2-CG1 4.37Å; L261-I263 HydrophobicContact CG-CD1 4.16Å; L261-I263 HydrophobicContact CG-CG1 4Å; I263-W281 HydrophobicContact CG2-CZ3 4.01Å; I263-V285 HydrophobicContact CD1-CG2 4.34Å; I263-I304 PolarHBondContact N-O 3.22Å; I263-I304 PolarHBondContact O-N 2.98Å; I263-F306 HydrophobicContact CD1-CD2 4.24Å; I263-F306 HydrophobicContact CD1-CE2 4.11Å
264	I	95.3	Very high	83.6	Confident	3 Å²	3	45.8 Å²	45.8	2%	0.015	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	121.7	171.3	-56	90.1	0	0	0	106.7	R96 W99 C100 V230 F231 L233 M301 H302 L303	R96-I264 HydrophobicContact CB-CG2 4.45Å; W99-I264 HydrophobicContact CZ3-CD1 4.38Å; W99-I264 HydrophobicContact CZ3-CG1 4.41Å; C100-I264 WeakPolarHBondContact SG-CD1 3.33Å; V230-I264 HydrophobicContact CG1-CD1 4.13Å; F231-I264 PolarHBondContact O-N 2.75Å; L233-I264 WeakPolarHBondContact CA-O 3.45Å; L233-I264 HydrophobicContact CD2-CG2 4.1Å; L233-I264 PolarHBondContact N-O 3.26Å; I264-M301 HydrophobicContact CG2-CB 4.34Å; I264-M301 HydrophobicContact CG2-SD 3.85Å; I264-H302 WeakPolarHBondContact CA-O 3.06Å; I264-L303 HydrophobicContact CG1-CD2 4.22Å; I264-L303 HydrophobicContact CG1-CG 4.03Å; I264-L303 HydrophobicContact CG2-CG 4.14Å
265	T	92.3	Very high	82.7	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.012	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	146.6	-179.4	-173.9	0	0	0	0	109.7	S236 M278 W281 M301 H302	S236-T265 PolarHBondContact OG-OG1 3.06Å; T265-M278 HydrophobicContact CG2-CE 4.33Å; T265-M278 HydrophobicContact CG2-SD 4.29Å; T265-W281 HydrophobicContact CG2-CH2 4.11Å; T265-W281 HydrophobicContact CG2-CZ3 3.77Å; T265-M301 CarbonylContact O-C 3.5Å; T265-M301 WeakPolarHBondContact O-CA 3.43Å; T265-H302 HydrophobicContact CG2-CB 3.88Å; T265-H302 PolarHBondContact N-O 3.26Å; T265-H302 PolarHBondContact O-N 3.41Å
266	P	88.6	Confident	82.1	Confident	55 Å²	55	55.9 Å²	55.9	36%	0.357	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	144.2	173.8	-20.4	31.1	0	0	0	111.6	L233 S236	L233-P266 HydrophobicContact CD2-CG 3.95Å; S236-P266 VanDerWaalsContact OG-CD 3.26Å; S236-P266 WeakPolarHBondContact OG-CD 3.37Å
267	D	82.1	Confident	81.9	Confident	13 Å²	13	53.5 Å²	53.5	7%	0.07	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-100.5	141.2	160.9	-167.5	16.7	0	0	0	108.5	H274 K297 H300 H302	D267-H274 IonicContact OD1-CE1 2.73Å; D267-H274 IonicContact OD1-CG 3.53Å; D267-H274 IonicContact OD1-ND1 3.66Å; D267-H274 PolarHBondContact OD1-ND1 3.08Å; D267-K297 WeakPolarHBondContact OD2-CE 3.36Å; D267-K297 IonicContact OD2-NZ 3.11Å; D267-K297 PolarHBondContact OD2-NZ 3.39Å; D267-H300 PolarHBondContact N-O 3.14Å; D267-H302 IonicContact OD1-CD2 3.89Å; D267-H302 IonicContact OD1-NE2 2.81Å; D267-H302 PolarHBondContact OD1-NE2 2.98Å; D267-H302 VanDerWaalsContact OD1-NE2 3.12Å; D267-H302 IonicContact OD2-CE1 3.97Å; D267-H302 IonicContact OD2-NE2 3.56Å
268	S	65.5	Low	81.8	Confident	38 Å²	38	51.3 Å²	51.3	27%	0.266	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-82.3	140	168.7	76.7	0	0	0	0	106.6	H270 H274	S268-H270 PolarHBondContact O-N 3.23Å; S268-H274 WeakPolarHBondContact CB-CE1 3.38Å; S268-H274 PolarHBondContact N-CE1 2.94Å; S268-H274 PolarHBondContact N-ND1 3.33Å; S268-H274 PolarHBondContact OG-CE1 3.3Å; S268-H274 PolarHBondContact OG-NE2 3.33Å
269	S	55	Low	81.6	Confident	92 Å²	92	57.6 Å²	57.6	64%	0.643	29%	0.288	S	S	*	.	S	Bend	trans	-62.2	9.1	-169.2	48.2	0	0	0	0	116
270	H	55.5	Low	81.4	Confident	115 Å²	115	58.4 Å²	58.4	53%	0.532	29%	0.293	S	S	.	.	S	Bend	trans	-97.1	112.6	176.2	-63.5	-61.3	0	0	0	110.7	S268 N272 R273	S268-H270 PolarHBondContact O-N 3.23Å; H270-N272 PolarHBondContact O-N 3.34Å; H270-R273 HydrophobicContact CB-CB 4.43Å; H270-R273 PolarHBondContact O-N 3.18Å
271	Q	49.8	Very low	81.3	Confident	162 Å²	162	58.5 Å²	58.5	76%	0.757	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	138.4	179.3	-62.3	-167	1.2	0	0	111.6	R273	Q271-R273 VanDerWaalsContact C-N 3.26Å; Q271-R273 PolarHBondContact O-N 3.32Å; Q271-R273 VanDerWaalsContact O-N 3.12Å
272	N	53.9	Low	81.1	Confident	129 Å²	129	62 Å²	62	69%	0.69	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.5	-6.8	176.8	-57.7	-35.8	0	0	0	118.7	H270 H274 T275	H270-N272 PolarHBondContact O-N 3.34Å; N272-H274 PolarHBondContact O-N 3.25Å; N272-T275 PolarHBondContact O-N 3.39Å; N272-T275 PolarHBondContact O-OG1 3.16Å
273	R	64.4	Low	81	Confident	189 Å²	189	64.2 Å²	64.2	71%	0.713	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-24.6	-178.5	-131.4	-175.4	-177.1	-167.4	0	113.7	H270 Q271	H270-R273 HydrophobicContact CB-CB 4.43Å; H270-R273 PolarHBondContact O-N 3.18Å; Q271-R273 VanDerWaalsContact C-N 3.26Å; Q271-R273 PolarHBondContact O-N 3.32Å; Q271-R273 VanDerWaalsContact O-N 3.12Å
274	H	76.4	Confident	80.8	Confident	11 Å²	11	64.1 Å²	64.1	5%	0.051	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	4.3	-173.4	-65.3	174.9	0	0	0	115.1	D267 S268 N272 L276 M277 M278 P329	D267-H274 IonicContact OD1-CE1 2.73Å; D267-H274 IonicContact OD1-CG 3.53Å; D267-H274 IonicContact OD1-ND1 3.66Å; D267-H274 PolarHBondContact OD1-ND1 3.08Å; S268-H274 WeakPolarHBondContact CB-CE1 3.38Å; S268-H274 PolarHBondContact N-CE1 2.94Å; S268-H274 PolarHBondContact N-ND1 3.33Å; S268-H274 PolarHBondContact OG-CE1 3.3Å; S268-H274 PolarHBondContact OG-NE2 3.33Å; N272-H274 PolarHBondContact O-N 3.25Å; H274-L276 VanDerWaalsContact C-N 3.29Å; H274-L276 PolarHBondContact O-N 3.37Å; H274-M277 HydrophobicContact CB-CE 4.05Å; H274-M277 WeakPolarHBondContact O-CB 3.42Å; H274-M277 PolarHBondContact O-N 3.35Å; H274-M277 VanDerWaalsContact O-N 3.15Å; H274-M278 WeakPolarHBondContact O-CG 3.42Å; H274-M278 PolarHBondContact O-N 3.34Å; H274-P329 WeakPolarHBondContact NE2-CG 3.37Å
275	T	80.4	Confident	80.9	Confident	87 Å²	87	64 Å²	64	53%	0.534	32%	0.319	S	S	.	.	H	α-helix	trans	-59.8	-40.2	-179.6	-57.9	0	0	0	0	112	N272 M278 R279	N272-T275 PolarHBondContact O-N 3.39Å; N272-T275 PolarHBondContact O-OG1 3.16Å; T275-M278 PolarHBondContact O-N 3.12Å; T275-R279 PolarHBondContact O-N 2.93Å
276	L	86.5	Confident	81.1	Confident	125 Å²	125	67 Å²	67	65%	0.654	33%	0.333	S	S	*	.	H	α-helix	trans	-66.4	-42.2	176	-67.9	177	0	0	0	112	H274 M278 R279 S280	H274-L276 VanDerWaalsContact C-N 3.29Å; H274-L276 PolarHBondContact O-N 3.37Å; L276-M278 VanDerWaalsContact C-N 3.34Å; L276-M278 PolarHBondContact O-N 3.17Å; L276-R279 PolarHBondContact O-N 3.29Å; L276-S280 WeakPolarHBondContact O-CB 3.37Å; L276-S280 PolarHBondContact O-N 2.84Å
277	M	90.7	Very high	81.4	Confident	6 Å²	6	65.1 Å²	65.1	3%	0.03	32%	0.321	C	S	.	.	H	α-helix	trans	-57.7	-48.1	174.5	-177.2	-172.1	79.2	0	0	110.6	H274 R279 S280 W281 Y327 I328 P329	H274-M277 HydrophobicContact CB-CE 4.05Å; H274-M277 WeakPolarHBondContact O-CB 3.42Å; H274-M277 PolarHBondContact O-N 3.35Å; H274-M277 VanDerWaalsContact O-N 3.15Å; M277-R279 VanDerWaalsContact C-N 3.34Å; M277-R279 PolarHBondContact O-N 3.19Å; M277-S280 WeakPolarHBondContact O-CA 2.9Å; M277-S280 VanDerWaalsContact O-CB 3.3Å; M277-S280 WeakPolarHBondContact O-CB 3.49Å; M277-S280 PolarHBondContact O-N 3.48Å; M277-S280 VanDerWaalsContact O-N 3.09Å; M277-W281 PolarHBondContact O-N 3.43Å; M277-Y327 WeakPolarHBondContact CA-OH 3.39Å; M277-Y327 HydrophobicContact CB-CE2 3.74Å; M277-Y327 HydrophobicContact CG-CD2 4.1Å; M277-Y327 HydrophobicContact CG-CE2 3.83Å; M277-Y327 WeakPolarHBondContact CG-O 3.39Å; M277-Y327 PolarHBondContact N-OH 3.17Å; M277-I328 HydrophobicContact SD-CG2 4.5Å; M277-P329 HydrophobicContact SD-CG 4.35Å
278	M	91.7	Very high	82	Confident	15 Å²	15	64.5 Å²	64.5	7%	0.074	32%	0.318	C	S	.	.	H	α-helix	trans	-68.5	-32.4	-179	-61.2	-76.3	62.8	0	0	113.5	T265 H274 T275 L276 W281 R282 H302 I304	T265-M278 HydrophobicContact CG2-CE 4.33Å; T265-M278 HydrophobicContact CG2-SD 4.29Å; H274-M278 WeakPolarHBondContact O-CG 3.42Å; H274-M278 PolarHBondContact O-N 3.34Å; T275-M278 PolarHBondContact O-N 3.12Å; L276-M278 VanDerWaalsContact C-N 3.34Å; L276-M278 PolarHBondContact O-N 3.17Å; M278-W281 HydrophobicContact CE-CB 3.81Å; M278-W281 HydrophobicContact CE-CD2 3.33Å; M278-W281 HydrophobicContact CE-CE3 3.34Å; M278-W281 HydrophobicContact CE-CG 3.54Å; M278-W281 HydrophobicContact CE-CZ3 4.05Å; M278-R282 WeakPolarHBondContact O-CB 3.36Å; M278-R282 PolarHBondContact O-N 2.98Å; M278-R282 VanDerWaalsContact O-N 3.09Å; M278-H302 HydrophobicContact SD-CB 3.56Å; M278-H302 VanDerWaalsContact SD-CB 3.56Å; M278-I304 HydrophobicContact CE-CD1 3.97Å; M278-I304 HydrophobicContact SD-CD1 3.74Å
279	R	92.5	Very high	83.5	Confident	164 Å²	164	63 Å²	63	62%	0.619	31%	0.308	S	S	*	.	H	α-helix	trans	-65.4	-41.9	169.3	-174.7	177.5	177.9	170.6	0	111.4	T275 L276 M277 R282 V283	T275-R279 PolarHBondContact O-N 2.93Å; L276-R279 PolarHBondContact O-N 3.29Å; M277-R279 VanDerWaalsContact C-N 3.34Å; M277-R279 PolarHBondContact O-N 3.19Å; R279-R282 PolarHBondContact O-N 2.65Å; R279-V283 WeakPolarHBondContact O-CG2 3.13Å; R279-V283 PolarHBondContact O-N 3.44Å
280	S	94.6	Very high	85.5	Confident	18 Å²	18	58.9 Å²	58.9	13%	0.126	28%	0.279	C	S	.	.	H	α-helix	trans	-63	-48.8	178.2	-171.2	0	0	0	0	111.5	L276 M277 R282 V283 A284 M325 Y327	L276-S280 WeakPolarHBondContact O-CB 3.37Å; L276-S280 PolarHBondContact O-N 2.84Å; M277-S280 WeakPolarHBondContact O-CA 2.9Å; M277-S280 VanDerWaalsContact O-CB 3.3Å; M277-S280 WeakPolarHBondContact O-CB 3.49Å; M277-S280 PolarHBondContact O-N 3.48Å; M277-S280 VanDerWaalsContact O-N 3.09Å; S280-R282 VanDerWaalsContact C-N 3.34Å; S280-R282 PolarHBondContact O-N 3.34Å; S280-V283 PolarHBondContact O-N 3.31Å; S280-V283 VanDerWaalsContact O-N 3.11Å; S280-A284 PolarHBondContact O-N 3.1Å; S280-M325 CarbonylContact C-O 3.57Å; S280-M325 WeakPolarHBondContact CB-O 3.4Å; S280-M325 VanDerWaalsContact OG-CA 3.26Å; S280-M325 WeakPolarHBondContact OG-CA 3.49Å; S280-M325 WeakPolarHBondContact OG-CB 3.38Å; S280-M325 PolarHBondContact OG-O 3.38Å; S280-Y327 WeakPolarHBondContact OG-CE1 2.89Å
281	W	95.9	Very high	87.4	Confident	2 Å²	2	58.5 Å²	58.5	1%	0.008	27%	0.273	C	S	.	.	H	α-helix	trans	-58.1	-44.9	176	-77.8	33.4	0	0	0	112.1	L235 I263 T265 M277 M278 V283 A284 V285 M325 L326 Y327 I328	L235-W281 HydrophobicContact CB-CH2 4.19Å; L235-W281 HydrophobicContact CD1-CH2 4.18Å; L235-W281 HydrophobicContact CD1-CZ3 3.87Å; I263-W281 HydrophobicContact CG2-CZ3 4.01Å; T265-W281 HydrophobicContact CG2-CH2 4.11Å; T265-W281 HydrophobicContact CG2-CZ3 3.77Å; M277-W281 PolarHBondContact O-N 3.43Å; M278-W281 HydrophobicContact CE-CB 3.81Å; M278-W281 HydrophobicContact CE-CD2 3.33Å; M278-W281 HydrophobicContact CE-CE3 3.34Å; M278-W281 HydrophobicContact CE-CG 3.54Å; M278-W281 HydrophobicContact CE-CZ3 4.05Å; W281-V283 VanDerWaalsContact C-N 3.29Å; W281-V283 PolarHBondContact O-N 2.94Å; W281-A284 PolarHBondContact O-N 2.87Å; W281-V285 WeakPolarHBondContact O-CG2 3.21Å; W281-V285 PolarHBondContact O-N 3.37Å; W281-M325 VanDerWaalsContact CD1-O 3.28Å; W281-L326 HydrophobicContact CB-CD2 3.98Å; W281-L326 HydrophobicContact CD2-CD2 3.7Å; W281-L326 HydrophobicContact CE3-CD2 4.19Å; W281-L326 HydrophobicContact CG-CD2 3.63Å; W281-Y327 PolarHBondContact NE1-O 3.23Å; W281-I328 HydrophobicContact CH2-CG2 4.24Å; W281-I328 HydrophobicContact CZ2-CG2 3.57Å
282	R	95.9	Very high	89.7	Confident	74 Å²	74	55.6 Å²	55.6	28%	0.279	26%	0.255	S	S	.	.	H	α-helix	trans	-54.7	-47.9	175.8	-177.9	-172.8	68.2	-173.8	2.3	110.9	M278 R279 S280 V285 E286 R292 F306	M278-R282 WeakPolarHBondContact O-CB 3.36Å; M278-R282 PolarHBondContact O-N 2.98Å; M278-R282 VanDerWaalsContact O-N 3.09Å; R279-R282 PolarHBondContact O-N 2.65Å; S280-R282 VanDerWaalsContact C-N 3.34Å; S280-R282 PolarHBondContact O-N 3.34Å; R282-V285 PolarHBondContact O-N 3.27Å; R282-E286 HydrophobicContact CG-CG 4.17Å; R282-E286 VanDerWaalsContact O-CB 3.29Å; R282-E286 WeakPolarHBondContact O-CB 2.85Å; R282-E286 VanDerWaalsContact O-CG 3.23Å; R282-E286 WeakPolarHBondContact O-CG 3.16Å; R282-E286 PolarHBondContact O-N 2.89Å; R282-R292 HydrophobicContact CG-CB 4.36Å; R282-F306 HydrophobicContact CG-CE1 4.24Å
283	V	95	Very high	91.6	Very high	47 Å²	47	51.3 Å²	51.3	29%	0.285	23%	0.234	S	C	.	.	H	α-helix	trans	-63.4	-43.2	-178.9	173.6	0	0	0	0	111.6	R279 S280 W281 S287 Y322 M325	R279-V283 WeakPolarHBondContact O-CG2 3.13Å; R279-V283 PolarHBondContact O-N 3.44Å; S280-V283 PolarHBondContact O-N 3.31Å; S280-V283 VanDerWaalsContact O-N 3.11Å; W281-V283 VanDerWaalsContact C-N 3.29Å; W281-V283 PolarHBondContact O-N 2.94Å; V283-S287 WeakPolarHBondContact O-CB 3.37Å; V283-S287 PolarHBondContact O-N 2.74Å; V283-Y322 HydrophobicContact CG1-CD1 4.46Å; V283-Y322 HydrophobicContact CG1-CE1 4.25Å; V283-M325 HydrophobicContact CB-CE 3.56Å; V283-M325 HydrophobicContact CB-SD 4.29Å; V283-M325 HydrophobicContact CG1-CE 3.55Å; V283-M325 HydrophobicContact CG1-SD 3.82Å; V283-M325 HydrophobicContact CG2-CE 4.3Å
284	A	95.6	Very high	93.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64.4	-42.1	176.6	0	0	0	0	0	113.9	S280 W281 S287 Y322 M325 L326	S280-A284 PolarHBondContact O-N 3.1Å; W281-A284 PolarHBondContact O-N 2.87Å; A284-S287 PolarHBondContact O-OG 2.93Å; A284-Y322 WeakPolarHBondContact CB-O 3.41Å; A284-M325 HydrophobicContact CB-CB 3.87Å; A284-L326 HydrophobicContact CB-CD1 4.27Å; A284-L326 HydrophobicContact CB-CD2 4.41Å; A284-L326 HydrophobicContact CB-CG 3.86Å
285	V	97.1	Very high	94.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-71.7	-41	179.5	179	0	0	0	0	109.8	L261 I263 W281 R282 S287 L288 F290 F306 L326	L261-V285 HydrophobicContact CD2-CG1 4.27Å; I263-V285 HydrophobicContact CD1-CG2 4.34Å; W281-V285 WeakPolarHBondContact O-CG2 3.21Å; W281-V285 PolarHBondContact O-N 3.37Å; R282-V285 PolarHBondContact O-N 3.27Å; V285-S287 VanDerWaalsContact C-N 3.29Å; V285-S287 PolarHBondContact O-N 2.96Å; V285-L288 WeakPolarHBondContact O-CB 3.35Å; V285-L288 PolarHBondContact O-N 2.96Å; V285-L288 VanDerWaalsContact O-N 3.16Å; V285-F290 HydrophobicContact CG1-CB 3.91Å; V285-F290 HydrophobicContact CG1-CD2 3.61Å; V285-F290 HydrophobicContact CG1-CE2 4.32Å; V285-F290 HydrophobicContact CG1-CG 3.93Å; V285-F290 WeakPolarHBondContact O-CB 3.44Å; V285-F290 WeakPolarHBondContact O-CD2 3.34Å; V285-F306 HydrophobicContact CB-CD1 4.23Å; V285-F306 HydrophobicContact CB-CE1 3.9Å; V285-F306 HydrophobicContact CB-CE2 4.35Å; V285-F306 HydrophobicContact CB-CZ 3.97Å; V285-F306 HydrophobicContact CG1-CB 4.28Å; V285-F306 HydrophobicContact CG1-CD1 3.64Å; V285-F306 HydrophobicContact CG1-CD2 3.92Å; V285-F306 HydrophobicContact CG1-CE1 3.84Å; V285-F306 HydrophobicContact CG1-CE2 4.09Å; V285-F306 HydrophobicContact CG1-CG 3.69Å; V285-F306 HydrophobicContact CG1-CZ 4.06Å; V285-F306 HydrophobicContact CG2-CE2 4.48Å; V285-F306 HydrophobicContact CG2-CZ 4.37Å; V285-L326 HydrophobicContact CG2-CD2 4.25Å
286	E	95.8	Very high	94.6	Very high	66 Å²	66	47 Å²	47	31%	0.308	21%	0.214	S	C	.	.	H	α-helix	trans	-65.2	-30.7	177.3	-69.8	-176.6	156	0	0	112.7	R282 L288 G289 F290 R292 F306	R282-E286 HydrophobicContact CG-CG 4.17Å; R282-E286 VanDerWaalsContact O-CB 3.29Å; R282-E286 WeakPolarHBondContact O-CB 2.85Å; R282-E286 VanDerWaalsContact O-CG 3.23Å; R282-E286 WeakPolarHBondContact O-CG 3.16Å; R282-E286 PolarHBondContact O-N 2.89Å; E286-L288 PolarHBondContact O-N 2.97Å; E286-G289 PolarHBondContact O-N 3.23Å; E286-F290 WeakPolarHBondContact CA-O 3.18Å; E286-R292 PolarHBondContact OE1-N 3.37Å; E286-F306 HydrophobicContact CG-CD1 4.43Å; E286-F306 HydrophobicContact CG-CE1 4.2Å
287	S	94.6	Very high	94.7	Very high	15 Å²	15	45.5 Å²	45.5	11%	0.105	20%	0.202	C	C	.	.	H	α-helix	trans	-66.3	-19.9	175.7	78.4	0	0	0	0	114	V283 A284 V285 G289 T314 Y322	V283-S287 WeakPolarHBondContact O-CB 3.37Å; V283-S287 PolarHBondContact O-N 2.74Å; A284-S287 PolarHBondContact O-OG 2.93Å; V285-S287 VanDerWaalsContact C-N 3.29Å; V285-S287 PolarHBondContact O-N 2.96Å; S287-G289 PolarHBondContact O-N 2.78Å; S287-T314 PolarHBondContact O-OG1 3.22Å; S287-Y322 VanDerWaalsContact CB-CZ 3.46Å; S287-Y322 WeakPolarHBondContact OG-CD1 3.34Å
288	L	95.9	Very high	94.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-3.9	173.5	-69.7	169.3	0	0	0	113.4	W245 C248 K249 H252 V285 E286 F290 T313	W245-L288 HydrophobicContact CZ2-CD2 3.57Å; C248-L288 HydrophobicContact CB-CD1 3.55Å; K249-L288 HydrophobicContact CB-CD1 4.4Å; K249-L288 HydrophobicContact CB-CD2 4.04Å; K249-L288 HydrophobicContact CG-CD2 4.08Å; H252-L288 PolarHBondContact CD2-O 3.4Å; H252-L288 PolarHBondContact NE2-O 3.2Å; V285-L288 WeakPolarHBondContact O-CB 3.35Å; V285-L288 PolarHBondContact O-N 2.96Å; V285-L288 VanDerWaalsContact O-N 3.16Å; E286-L288 PolarHBondContact O-N 2.97Å; L288-F290 HydrophobicContact CB-CD2 4.06Å; L288-F290 HydrophobicContact CB-CE2 4.36Å; L288-T313 HydrophobicContact CD2-CG2 4.22Å; L288-T313 WeakPolarHBondContact O-CA 3.4Å
289	G	95.8	Very high	93.9	Very high	6 Å²	6	52 Å²	52	6%	0.062	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.8	23	-175.9	0	0	0	0	0	113.7	E286 S287 V309 S310	E286-G289 PolarHBondContact O-N 3.23Å; S287-G289 PolarHBondContact O-N 2.78Å; G289-V309 WeakPolarHBondContact O-CG2 3.43Å; G289-V309 PolarHBondContact O-N 3.11Å; G289-S310 PolarHBondContact O-N 2.89Å
290	F	97.7	Very high	93.5	Very high	6 Å²	6	48.6 Å²	48.6	3%	0.026	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	167.1	170.1	-70.6	-77	0	0	0	112.1	H252 L255 L261 V285 E286 L288 F306 R307 K308	H252-F290 VanDerWaalsContact CA-CZ 3.49Å; H252-F290 HydrophobicContact CB-CE2 3.55Å; H252-F290 HydrophobicContact CB-CZ 3.62Å; H252-F290 AromaticContact CD2-CE2 3.87Å; H252-F290 AromaticContact CD2-CZ 3.99Å; L255-F290 HydrophobicContact CD1-CE1 3.73Å; L255-F290 HydrophobicContact CD1-CZ 4.01Å; L261-F290 HydrophobicContact CB-CD1 4.44Å; L261-F290 HydrophobicContact CB-CE1 3.8Å; L261-F290 HydrophobicContact CB-CZ 4.03Å; L261-F290 HydrophobicContact CD2-CE1 4.35Å; L261-F290 HydrophobicContact CD2-CE2 3.97Å; L261-F290 HydrophobicContact CD2-CZ 3.83Å; V285-F290 HydrophobicContact CG1-CB 3.91Å; V285-F290 HydrophobicContact CG1-CD2 3.61Å; V285-F290 HydrophobicContact CG1-CE2 4.32Å; V285-F290 HydrophobicContact CG1-CG 3.93Å; V285-F290 WeakPolarHBondContact O-CB 3.44Å; V285-F290 WeakPolarHBondContact O-CD2 3.34Å; E286-F290 WeakPolarHBondContact CA-O 3.18Å; L288-F290 HydrophobicContact CB-CD2 4.06Å; L288-F290 HydrophobicContact CB-CE2 4.36Å; F290-F306 HydrophobicContact CB-CB 4.06Å; F290-F306 HydrophobicContact CB-CD1 4.21Å; F290-F306 HydrophobicContact CB-CG 4.5Å; F290-F306 HydrophobicContact CD1-CB 4.01Å; F290-F306 HydrophobicContact CG-CB 4.21Å; F290-R307 CarbonylContact C-O 3.6Å; F290-R307 VanDerWaalsContact CA-O 3.29Å; F290-R307 WeakPolarHBondContact CA-O 3.47Å; F290-K308 HydrophobicContact CD1-CB 4.09Å; F290-K308 HydrophobicContact CE1-CB 3.93Å
291	R	96.2	Very high	93.2	Very high	107 Å²	107	48.9 Å²	48.9	40%	0.404	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	129.8	168.1	-175.6	169.4	-68.3	-175.4	-3.7	109.4	D120 C293 F306 R307 V309	D120-R291 IonicContact OD1-CZ 2.69Å; D120-R291 IonicContact OD1-NH1 2.64Å; D120-R291 PolarHBondContact OD1-NH1 3.49Å; R291-C293 PolarHBondContact O-N 3.47Å; R291-F306 CarbonylContact O-C 3.54Å; R291-F306 WeakPolarHBondContact O-CA 3.41Å; R291-R307 PolarHBondContact N-O 2.99Å; R291-R307 PolarHBondContact O-N 2.92Å; R291-V309 HydrophobicContact CB-CG1 3.8Å; R291-V309 HydrophobicContact CB-CG2 4.28Å
292	R	97.1	Very high	93	Very high	101 Å²	101	49 Å²	49	38%	0.381	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	126	178.4	-172	-176.6	67.1	152.8	3.1	110.5	R282 E286 I304 F306	R282-R292 HydrophobicContact CG-CB 4.36Å; E286-R292 PolarHBondContact OE1-N 3.37Å; R292-I304 HydrophobicContact CG-CG2 3.94Å; R292-F306 HydrophobicContact CB-CD1 3.96Å; R292-F306 HydrophobicContact CB-CE1 3.78Å; R292-F306 HydrophobicContact CG-CE1 4.24Å
293	C	94.6	Very high	92.9	Very high	39 Å²	39	45.5 Å²	45.5	26%	0.264	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-38.1	176	56.5	0	0	0	0	113	M116 R291 A305	M116-C293 HydrophobicContact CE-CB 3.37Å; M116-C293 HydrophobicContact SD-CB 3.46Å; M116-C293 WeakPolarHBondContact SD-CB 3.22Å; R291-C293 PolarHBondContact O-N 3.47Å; C293-A305 PolarHBondContact N-O 3.31Å; C293-A305 WeakPolarHBondContact SG-CB 3.29Å; C293-A305 PolarHBondContact SG-O 3.05Å
294	K	96.6	Very high	93.1	Very high	59 Å²	59	43.4 Å²	43.4	26%	0.257	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	149	-177.4	-161.5	163.3	179.7	175.5	0	111.2	V103 E106 I304 A305	V103-K294 HydrophobicContact CG2-CD 3.96Å; E106-K294 IonicContact OE2-NZ 3.12Å; E106-K294 PolarHBondContact OE2-NZ 2.72Å; K294-I304 WeakPolarHBondContact O-CG2 3.39Å; K294-A305 HydrophobicContact CB-CB 4.07Å; K294-A305 PolarHBondContact N-O 2.54Å; K294-A305 PolarHBondContact O-N 2.98Å
295	Y	95.3	Very high	93.2	Very high	84 Å²	84	43.4 Å²	43.4	33%	0.329	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	126.9	173.9	168.6	-93.8	0	0	0	108.7	H302 L303 I304	Y295-H302 HydrophobicContact CE2-CB 4.34Å; Y295-H302 AromaticContact CE2-ND1 3.81Å; Y295-H302 AromaticContact CZ-ND1 3.73Å; Y295-H302 PolarHBondContact OH-CE1 2.93Å; Y295-H302 PolarHBondContact OH-ND1 2.67Å; Y295-L303 CarbonylContact C-O 3.58Å; Y295-L303 WeakPolarHBondContact CA-O 3.29Å; Y295-I304 HydrophobicContact CD2-CD1 4.04Å; Y295-I304 HydrophobicContact CD2-CG1 3.86Å; Y295-I304 HydrophobicContact CD2-CG2 4.49Å; Y295-I304 HydrophobicContact CE2-CD1 4.32Å; Y295-I304 HydrophobicContact CE2-CG1 4.35Å
296	I	91.9	Very high	93.3	Very high	54 Å²	54	43.5 Å²	43.5	28%	0.277	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	143.5	174.7	-70.1	173.1	0	0	0	108.3	W99 F298 L303	W99-I296 VanDerWaalsContact NE1-CD1 3.31Å; I296-F298 HydrophobicContact CG2-CD1 3.78Å; I296-F298 HydrophobicContact CG2-CE1 3.65Å; I296-L303 PolarHBondContact N-O 3.48Å; I296-L303 PolarHBondContact O-N 3.4Å
297	K	88.1	Confident	93.4	Very high	92 Å²	92	40.3 Å²	40.3	40%	0.4	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	125	172.1	-177.4	-178.6	176.9	165.5	0	109.1	D267	D267-K297 WeakPolarHBondContact OD2-CE 3.36Å; D267-K297 IonicContact OD2-NZ 3.11Å; D267-K297 PolarHBondContact OD2-NZ 3.39Å
298	F	85.8	Confident	93.5	Very high	71 Å²	71	39.7 Å²	39.7	31%	0.311	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	170.5	164.2	-73.8	1.6	0	0	0	109.6	I296 H300 M301 L303	I296-F298 HydrophobicContact CG2-CD1 3.78Å; I296-F298 HydrophobicContact CG2-CE1 3.65Å; F298-H300 PolarHBondContact O-N 3.42Å; F298-M301 HydrophobicContact CB-CB 4.36Å; F298-M301 PolarHBondContact N-O 3.09Å; F298-M301 PolarHBondContact O-N 2.89Å; F298-L303 HydrophobicContact CB-CD1 4.08Å; F298-L303 HydrophobicContact CD1-CD1 4.13Å; F298-L303 HydrophobicContact CD2-CD1 3.84Å; F298-L303 HydrophobicContact CD2-CD2 4.34Å; F298-L303 HydrophobicContact CE2-CD1 4.31Å; F298-L303 HydrophobicContact CE2-CD2 4.04Å; F298-L303 HydrophobicContact CG-CD1 3.73Å; F298-L303 HydrophobicContact CZ-CD2 4.27Å
299	S	80.4	Confident	93.5	Very high	87 Å²	87	42 Å²	42	61%	0.608	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-37.8	-176.8	-52.7	0	0	0	0	113.4
300	H	82.8	Confident	93.5	Very high	92 Å²	92	43.4 Å²	43.4	43%	0.426	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.1	14.5	-175.4	-55.1	-48.2	0	0	0	113.7	E92 D267 F298	E92-H300 IonicContact OE1-CD2 3.63Å; E92-H300 PolarHBondContact OE1-CD2 2.64Å; D267-H300 PolarHBondContact N-O 3.14Å; F298-H300 PolarHBondContact O-N 3.42Å
301	M	88.6	Confident	93.2	Very high	24 Å²	24	48.4 Å²	48.4	12%	0.118	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	147.6	-174.7	-59.3	-176.4	-174.2	0	0	112.9	L233 I264 T265 F298 L303	L233-M301 HydrophobicContact CD1-CE 4.36Å; L233-M301 HydrophobicContact CD2-CE 4.42Å; L233-M301 HydrophobicContact CD2-SD 4.35Å; I264-M301 HydrophobicContact CG2-CB 4.34Å; I264-M301 HydrophobicContact CG2-SD 3.85Å; T265-M301 CarbonylContact O-C 3.5Å; T265-M301 WeakPolarHBondContact O-CA 3.43Å; F298-M301 HydrophobicContact CB-CB 4.36Å; F298-M301 PolarHBondContact N-O 3.09Å; F298-M301 PolarHBondContact O-N 2.89Å; M301-L303 HydrophobicContact CB-CD1 3.9Å
302	H	91.9	Very high	92.8	Very high	5 Å²	5	46.3 Å²	46.3	2%	0.023	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	132.5	163.1	-62.3	-78.2	0	0	0	109.8	I264 T265 D267 M278 Y295	I264-H302 WeakPolarHBondContact CA-O 3.06Å; T265-H302 HydrophobicContact CG2-CB 3.88Å; T265-H302 PolarHBondContact N-O 3.26Å; T265-H302 PolarHBondContact O-N 3.41Å; D267-H302 IonicContact OD1-CD2 3.89Å; D267-H302 IonicContact OD1-NE2 2.81Å; D267-H302 PolarHBondContact OD1-NE2 2.98Å; D267-H302 VanDerWaalsContact OD1-NE2 3.12Å; D267-H302 IonicContact OD2-CE1 3.97Å; D267-H302 IonicContact OD2-NE2 3.56Å; M278-H302 HydrophobicContact SD-CB 3.56Å; M278-H302 VanDerWaalsContact SD-CB 3.56Å; Y295-H302 HydrophobicContact CE2-CB 4.34Å; Y295-H302 AromaticContact CE2-ND1 3.81Å; Y295-H302 AromaticContact CZ-ND1 3.73Å; Y295-H302 PolarHBondContact OH-CE1 2.93Å; Y295-H302 PolarHBondContact OH-ND1 2.67Å
303	L	94.9	Very high	92.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	116.8	179.9	-62.7	83.4	0	0	0	108.4	R96 W99 I264 Y295 I296 F298 M301	R96-L303 HydrophobicContact CB-CD2 4.45Å; W99-L303 HydrophobicContact CB-CD2 3.8Å; W99-L303 HydrophobicContact CD2-CB 3.92Å; W99-L303 HydrophobicContact CD2-CD2 3.36Å; W99-L303 HydrophobicContact CD2-CG 4.27Å; W99-L303 HydrophobicContact CE3-CB 4.03Å; W99-L303 HydrophobicContact CE3-CD2 3.6Å; W99-L303 HydrophobicContact CE3-CG 4.34Å; W99-L303 HydrophobicContact CG-CD2 3.45Å; W99-L303 VanDerWaalsContact CG-CD2 3.45Å; W99-L303 HydrophobicContact CH2-CB 3.74Å; W99-L303 HydrophobicContact CZ2-CB 3.58Å; W99-L303 HydrophobicContact CZ3-CB 3.94Å; W99-L303 HydrophobicContact CZ3-CD2 4.33Å; I264-L303 HydrophobicContact CG1-CD2 4.22Å; I264-L303 HydrophobicContact CG1-CG 4.03Å; I264-L303 HydrophobicContact CG2-CG 4.14Å; Y295-L303 CarbonylContact C-O 3.58Å; Y295-L303 WeakPolarHBondContact CA-O 3.29Å; I296-L303 PolarHBondContact N-O 3.48Å; I296-L303 PolarHBondContact O-N 3.4Å; F298-L303 HydrophobicContact CB-CD1 4.08Å; F298-L303 HydrophobicContact CD1-CD1 4.13Å; F298-L303 HydrophobicContact CD2-CD1 3.84Å; F298-L303 HydrophobicContact CD2-CD2 4.34Å; F298-L303 HydrophobicContact CE2-CD1 4.31Å; F298-L303 HydrophobicContact CE2-CD2 4.04Å; F298-L303 HydrophobicContact CG-CD1 3.73Å; F298-L303 HydrophobicContact CZ-CD2 4.27Å; M301-L303 HydrophobicContact CB-CD1 3.9Å
304	I	97.7	Very high	91.2	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.021	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	132.2	-173.4	-33.7	-169.8	0	0	0	109.7	I263 M278 R292 K294 Y295 F306	I263-I304 PolarHBondContact N-O 3.22Å; I263-I304 PolarHBondContact O-N 2.98Å; M278-I304 HydrophobicContact CE-CD1 3.97Å; M278-I304 HydrophobicContact SD-CD1 3.74Å; R292-I304 HydrophobicContact CG-CG2 3.94Å; K294-I304 WeakPolarHBondContact O-CG2 3.39Å; Y295-I304 HydrophobicContact CD2-CD1 4.04Å; Y295-I304 HydrophobicContact CD2-CG1 3.86Å; Y295-I304 HydrophobicContact CD2-CG2 4.49Å; Y295-I304 HydrophobicContact CE2-CD1 4.32Å; Y295-I304 HydrophobicContact CE2-CG1 4.35Å; I304-F306 HydrophobicContact CB-CD2 4.46Å; I304-F306 HydrophobicContact CB-CE2 3.84Å; I304-F306 HydrophobicContact CG2-CD2 4.01Å; I304-F306 HydrophobicContact CG2-CE2 3.33Å; I304-F306 HydrophobicContact CG2-CZ 3.68Å
305	A	98.6	Very high	89.7	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	135.5	174	0	0	0	0	0	109.7	W99 V103 L261 L262 C293 K294	W99-A305 HydrophobicContact CH2-CB 4.16Å; V103-A305 HydrophobicContact CG1-CB 3.93Å; L261-A305 WeakPolarHBondContact O-CA 3.48Å; L262-A305 HydrophobicContact CD2-CB 3.45Å; L262-A305 VanDerWaalsContact CD2-CB 3.45Å; C293-A305 PolarHBondContact N-O 3.31Å; C293-A305 WeakPolarHBondContact SG-CB 3.29Å; C293-A305 PolarHBondContact SG-O 3.05Å; K294-A305 HydrophobicContact CB-CB 4.07Å; K294-A305 PolarHBondContact N-O 2.54Å; K294-A305 PolarHBondContact O-N 2.98Å
306	F	98.7	Very high	88.4	Confident	1 Å²	1	44.7 Å²	44.7	0%	0.004	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	136.3	177.9	-69.7	-89.9	0	0	0	109.8	L260 L261 I263 R282 V285 E286 F290 R291 R292 I304	L260-F306 CarbonylContact C-O 3.54Å; L260-F306 VanDerWaalsContact CA-O 3.31Å; L260-F306 WeakPolarHBondContact CA-O 3.21Å; L261-F306 HydrophobicContact CB-CB 4.3Å; L261-F306 PolarHBondContact N-O 3.11Å; L261-F306 PolarHBondContact O-N 3.46Å; I263-F306 HydrophobicContact CD1-CD2 4.24Å; I263-F306 HydrophobicContact CD1-CE2 4.11Å; R282-F306 HydrophobicContact CG-CE1 4.24Å; V285-F306 HydrophobicContact CB-CD1 4.23Å; V285-F306 HydrophobicContact CB-CE1 3.9Å; V285-F306 HydrophobicContact CB-CE2 4.35Å; V285-F306 HydrophobicContact CB-CZ 3.97Å; V285-F306 HydrophobicContact CG1-CB 4.28Å; V285-F306 HydrophobicContact CG1-CD1 3.64Å; V285-F306 HydrophobicContact CG1-CD2 3.92Å; V285-F306 HydrophobicContact CG1-CE1 3.84Å; V285-F306 HydrophobicContact CG1-CE2 4.09Å; V285-F306 HydrophobicContact CG1-CG 3.69Å; V285-F306 HydrophobicContact CG1-CZ 4.06Å; V285-F306 HydrophobicContact CG2-CE2 4.48Å; V285-F306 HydrophobicContact CG2-CZ 4.37Å; E286-F306 HydrophobicContact CG-CD1 4.43Å; E286-F306 HydrophobicContact CG-CE1 4.2Å; F290-F306 HydrophobicContact CB-CB 4.06Å; F290-F306 HydrophobicContact CB-CD1 4.21Å; F290-F306 HydrophobicContact CB-CG 4.5Å; F290-F306 HydrophobicContact CD1-CB 4.01Å; F290-F306 HydrophobicContact CG-CB 4.21Å; R291-F306 CarbonylContact O-C 3.54Å; R291-F306 WeakPolarHBondContact O-CA 3.41Å; R292-F306 HydrophobicContact CB-CD1 3.96Å; R292-F306 HydrophobicContact CB-CE1 3.78Å; R292-F306 HydrophobicContact CG-CE1 4.24Å; I304-F306 HydrophobicContact CB-CD2 4.46Å; I304-F306 HydrophobicContact CB-CE2 3.84Å; I304-F306 HydrophobicContact CG2-CD2 4.01Å; I304-F306 HydrophobicContact CG2-CE2 3.33Å; I304-F306 HydrophobicContact CG2-CZ 3.68Å
307	R	98.3	Very high	87.3	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	133.6	172.6	176.4	-174.1	64.8	163.4	-3.6	109.9	Y107 D120 G259 L260 F290 R291 V309	Y107-R307 HydrophobicContact CE2-CG 4.5Å; Y107-R307 WeakPolarHBondContact OH-CD 3.38Å; Y107-R307 WeakPolarHBondContact OH-CG 3.21Å; D120-R307 IonicContact OD1-NH2 2.61Å; D120-R307 PolarHBondContact OD1-NH2 3.47Å; D120-R307 IonicContact OD2-CZ 3.63Å; D120-R307 IonicContact OD2-NH1 3.8Å; D120-R307 PolarHBondContact OD2-NH1 2.69Å; D120-R307 IonicContact OD2-NH2 2.83Å; D120-R307 PolarHBondContact OD2-NH2 2.85Å; G259-R307 WeakPolarHBondContact O-CA 3.48Å; L260-R307 HydrophobicContact CD2-CB 4.15Å; F290-R307 CarbonylContact C-O 3.6Å; F290-R307 VanDerWaalsContact CA-O 3.29Å; F290-R307 WeakPolarHBondContact CA-O 3.47Å; R291-R307 PolarHBondContact N-O 2.99Å; R291-R307 PolarHBondContact O-N 2.92Å; R307-V309 HydrophobicContact CG-CG1 4.36Å; R307-V309 PolarHBondContact O-N 3Å
308	K	97.9	Very high	86.1	Confident	1 Å²	1	48.5 Å²	48.5	0%	0.004	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	124.1	170.5	179.3	169.5	170.6	178.6	0	110.4	H252 L255 L257 H258 G259 F290 S310	H252-K308 VanDerWaalsContact CE1-CE 3.44Å; H252-K308 WeakPolarHBondContact CE1-CE 2.9Å; H252-K308 WeakPolarHBondContact NE2-CE 3.35Å; H252-K308 WeakPolarHBondContact O-CD 3.39Å; H252-K308 WeakPolarHBondContact O-CE 3.48Å; H252-K308 PolarHBondContact O-NZ 3.2Å; L255-K308 HydrophobicContact CB-CD 3.96Å; L255-K308 PolarHBondContact O-NZ 3.27Å; L257-K308 HydrophobicContact CD1-CG 4.45Å; H258-K308 WeakPolarHBondContact CA-O 3.24Å; H258-K308 PolarHBondContact N-O 2.82Å; G259-K308 PolarHBondContact O-N 3.22Å; F290-K308 HydrophobicContact CD1-CB 4.09Å; F290-K308 HydrophobicContact CE1-CB 3.93Å; K308-S310 WeakPolarHBondContact CE-O 3.23Å; K308-S310 WeakPolarHBondContact CG-O 3.49Å
309	V	95.8	Very high	85	Confident	50 Å²	50	48.8 Å²	48.8	30%	0.303	29%	0.294	S	S	.	.			trans	-119.9	-7.1	-176.4	-63.2	0	0	0	0	113.9	G289 R291 R307	G289-V309 WeakPolarHBondContact O-CG2 3.43Å; G289-V309 PolarHBondContact O-N 3.11Å; R291-V309 HydrophobicContact CB-CG1 3.8Å; R291-V309 HydrophobicContact CB-CG2 4.28Å; R307-V309 HydrophobicContact CG-CG1 4.36Å; R307-V309 PolarHBondContact O-N 3Å
310	S	94.5	Very high	84.9	Confident	34 Å²	34	51.9 Å²	51.9	24%	0.238	29%	0.293	C	S	.	.			trans	-123.8	151.6	174.6	-177.4	0	0	0	0	110.7	H252 G289 K308 A312	H252-S310 PolarHBondContact CE1-O 3.44Å; H252-S310 PolarHBondContact NE2-O 3.47Å; G289-S310 PolarHBondContact O-N 2.89Å; K308-S310 WeakPolarHBondContact CE-O 3.23Å; K308-S310 WeakPolarHBondContact CG-O 3.49Å; S310-A312 WeakPolarHBondContact CB-O 3.29Å; S310-A312 PolarHBondContact OG-N 2.88Å; S310-A312 PolarHBondContact OG-O 2.89Å
311	L	90.9	Very high	84.9	Confident	111 Å²	111	52.5 Å²	52.5	58%	0.581	30%	0.299	S	S	*	.	S	Bend	trans	-74	-39.5	173.7	-74.5	170.4	0	0	0	111.7	L257	L257-L311 HydrophobicContact CB-CD2 4.08Å; L257-L311 HydrophobicContact CD2-CD2 4.25Å; L257-L311 HydrophobicContact CD2-CG 4.48Å
312	A	89.6	Confident	85	Confident	63 Å²	63	52.8 Å²	52.8	52%	0.521	30%	0.299	S	S	.	.	S	Bend	trans	-115.7	151.4	-179.7	0	0	0	0	0	110.9	S310	S310-A312 WeakPolarHBondContact CB-O 3.29Å; S310-A312 PolarHBondContact OG-N 2.88Å; S310-A312 PolarHBondContact OG-O 2.89Å
313	T	87	Confident	85	Confident	46 Å²	46	52.7 Å²	52.7	28%	0.282	30%	0.299	S	S	.	.			trans	-71	132.4	172.8	58.5	0	0	0	0	109.7	K249 H252 L288	K249-T313 HydrophobicContact CG-CG2 4.11Å; H252-T313 HydrophobicContact CB-CG2 4.22Å; H252-T313 WeakPolarHBondContact ND1-CG2 3.49Å; L288-T313 HydrophobicContact CD2-CG2 4.22Å; L288-T313 WeakPolarHBondContact O-CA 3.4Å
314	T	70.8	Confident	84.9	Confident	100 Å²	100	56.7 Å²	56.7	61%	0.613	32%	0.318	S	S	*	.			trans	-103.2	16.7	-176.8	51.7	0	0	0	0	113.4	S287 D316	S287-T314 PolarHBondContact O-OG1 3.22Å; T314-D316 PolarHBondContact O-N 3.08Å
315	S	65.1	Low	84.7	Confident	26 Å²	26	58.9 Å²	58.9	18%	0.182	33%	0.328	C	S	.	.			trans	-67.3	106.1	-168.2	-175.3	0	0	0	0	111.9	L317	S315-L317 VanDerWaalsContact C-N 3.3Å; S315-L317 PolarHBondContact O-N 3.16Å; S315-L317 VanDerWaalsContact OG-CD2 3.29Å; S315-L317 WeakPolarHBondContact OG-CD2 3.34Å
316	D	66.4	Low	84.6	Confident	77 Å²	77	58.9 Å²	58.9	41%	0.412	33%	0.328	S	S	.	.			trans	-73.5	85.8	163.2	-178	1.2	0	0	0	109.3	T314 V318 S319 R320	T314-D316 PolarHBondContact O-N 3.08Å; D316-V318 PolarHBondContact O-N 3.05Å; D316-V318 WeakPolarHBondContact OD1-CA 3.33Å; D316-V318 WeakPolarHBondContact OD1-CB 3.32Å; D316-V318 PolarHBondContact OD1-N 3.24Å; D316-S319 PolarHBondContact OD1-N 2.87Å; D316-S319 WeakPolarHBondContact OD2-CB 3.22Å; D316-S319 PolarHBondContact OD2-OG 3.36Å; D316-R320 PolarHBondContact O-N 3.01Å
317	L	70.6	Confident	84.3	Confident	82 Å²	82	61.6 Å²	61.6	43%	0.429	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-11.6	174.9	-65.7	176.2	0	0	0	112.7	W245 S315 P323	W245-L317 HydrophobicContact CH2-CD1 3.81Å; W245-L317 HydrophobicContact CH2-CD2 4.09Å; W245-L317 HydrophobicContact CH2-CG 4.4Å; W245-L317 HydrophobicContact CZ2-CD1 4.32Å; W245-L317 HydrophobicContact CZ2-CD2 3.8Å; W245-L317 HydrophobicContact CZ2-CG 4.43Å; W245-L317 HydrophobicContact CZ3-CD1 4.46Å; S315-L317 VanDerWaalsContact C-N 3.3Å; S315-L317 PolarHBondContact O-N 3.16Å; S315-L317 VanDerWaalsContact OG-CD2 3.29Å; S315-L317 WeakPolarHBondContact OG-CD2 3.34Å; L317-P323 HydrophobicContact CD2-CG 3.85Å
318	V	62.9	Low	84	Confident	144 Å²	144	61.7 Å²	61.7	87%	0.873	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-42	-178.7	-177.1	0	0	0	0	110	D316	D316-V318 PolarHBondContact O-N 3.05Å; D316-V318 WeakPolarHBondContact OD1-CA 3.33Å; D316-V318 WeakPolarHBondContact OD1-CB 3.32Å; D316-V318 PolarHBondContact OD1-N 3.24Å
319	S	62.3	Low	83.5	Confident	77 Å²	77	63.5 Å²	63.5	54%	0.538	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-22.3	-179.7	71.8	0	0	0	0	114.6	D316	D316-S319 PolarHBondContact OD1-N 2.87Å; D316-S319 WeakPolarHBondContact OD2-CB 3.22Å; D316-S319 PolarHBondContact OD2-OG 3.36Å
320	R	77.1	Confident	83.1	Confident	153 Å²	153	63.9 Å²	63.9	58%	0.577	35%	0.35	S	S	*	.			trans	-140.9	135.1	-176.2	-63.9	-164.9	-171.8	-172.9	-1.8	113.4	D316 Y322	D316-R320 PolarHBondContact O-N 3.01Å; R320-Y322 VanDerWaalsContact C-N 3.27Å; R320-Y322 HydrophobicContact CB-CD1 4.5Å; R320-Y322 HydrophobicContact CB-CD2 3.98Å; R320-Y322 HydrophobicContact CB-CE1 4.15Å; R320-Y322 HydrophobicContact CB-CE2 3.59Å; R320-Y322 HydrophobicContact CB-CG 4.43Å; R320-Y322 WeakPolarHBondContact CD-OH 3.18Å; R320-Y322 HydrophobicContact CG-CE2 4.45Å; R320-Y322 PolarHBondContact O-N 2.87Å
321	N	84.5	Confident	82.8	Confident	104 Å²	104	63.7 Å²	63.7	56%	0.556	35%	0.346	S	S	*	.			trans	-87.1	60.4	-180	-161.1	2.2	0	0	0	112.4	P323 E324	N321-P323 VanDerWaalsContact C-N 3.32Å; N321-E324 VanDerWaalsContact CG-CG 3.47Å; N321-E324 WeakPolarHBondContact ND2-CG 3.31Å; N321-E324 PolarHBondContact O-N 3.05Å; N321-E324 WeakPolarHBondContact OD1-CG 3.36Å
322	Y	89.9	Confident	82.5	Confident	30 Å²	30	65.3 Å²	65.3	12%	0.118	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-34.8	177.9	-60.7	-68.3	0	0	0	114.7	V283 A284 S287 R320 E324 M325	V283-Y322 HydrophobicContact CG1-CD1 4.46Å; V283-Y322 HydrophobicContact CG1-CE1 4.25Å; A284-Y322 WeakPolarHBondContact CB-O 3.41Å; S287-Y322 VanDerWaalsContact CB-CZ 3.46Å; S287-Y322 WeakPolarHBondContact OG-CD1 3.34Å; R320-Y322 VanDerWaalsContact C-N 3.27Å; R320-Y322 HydrophobicContact CB-CD1 4.5Å; R320-Y322 HydrophobicContact CB-CD2 3.98Å; R320-Y322 HydrophobicContact CB-CE1 4.15Å; R320-Y322 HydrophobicContact CB-CE2 3.59Å; R320-Y322 HydrophobicContact CB-CG 4.43Å; R320-Y322 WeakPolarHBondContact CD-OH 3.18Å; R320-Y322 HydrophobicContact CG-CE2 4.45Å; R320-Y322 PolarHBondContact O-N 2.87Å; Y322-E324 VanDerWaalsContact C-N 3.32Å; Y322-E324 PolarHBondContact O-N 3.12Å; Y322-M325 HydrophobicContact CD1-SD 3.98Å; Y322-M325 WeakPolarHBondContact O-CB 3.26Å; Y322-M325 PolarHBondContact O-N 3.37Å; Y322-M325 VanDerWaalsContact O-N 3.12Å
323	P	91.9	Very high	82.1	Confident	3 Å²	3	65.2 Å²	65.2	2%	0.019	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-58.3	-41.1	178.7	-27.2	36	0	0	0	113.8	P241 Y242 W245 L317 N321 M325 L326	P241-P323 CarbonylContact C-O 3.47Å; P241-P323 VanDerWaalsContact CB-O 3.24Å; P241-P323 WeakPolarHBondContact CB-O 3.36Å; Y242-P323 HydrophobicContact CD2-CB 3.44Å; Y242-P323 VanDerWaalsContact CD2-CB 3.44Å; Y242-P323 HydrophobicContact CD2-CG 3.8Å; Y242-P323 HydrophobicContact CE2-CB 4.09Å; Y242-P323 HydrophobicContact CE2-CG 3.9Å; Y242-P323 HydrophobicContact CG-CB 4.34Å; W245-P323 HydrophobicContact CB-CB 4Å; W245-P323 HydrophobicContact CD2-CB 4.33Å; W245-P323 HydrophobicContact CD2-CG 3.88Å; W245-P323 HydrophobicContact CE3-CG 4.22Å; W245-P323 HydrophobicContact CG-CB 4Å; W245-P323 HydrophobicContact CG-CG 3.99Å; L317-P323 HydrophobicContact CD2-CG 3.85Å; N321-P323 VanDerWaalsContact C-N 3.32Å; P323-M325 PolarHBondContact O-N 3.04Å; P323-L326 PolarHBondContact O-N 3.31Å
324	E	92.9	Very high	81	Confident	85 Å²	85	64.7 Å²	64.7	40%	0.397	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-67	-17.3	178.9	-65	-52.1	132.7	0	0	113.6	N321 Y322 L326 Y327	N321-E324 VanDerWaalsContact CG-CG 3.47Å; N321-E324 WeakPolarHBondContact ND2-CG 3.31Å; N321-E324 PolarHBondContact O-N 3.05Å; N321-E324 WeakPolarHBondContact OD1-CG 3.36Å; Y322-E324 VanDerWaalsContact C-N 3.32Å; Y322-E324 PolarHBondContact O-N 3.12Å; E324-L326 PolarHBondContact O-N 3.13Å; E324-Y327 WeakPolarHBondContact O-CD1 3.44Å
325	M	94.1	Very high	80.6	Confident	50 Å²	50	63.8 Å²	63.8	25%	0.246	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-74	-13.3	178.8	-61.6	-173.9	75.2	0	0	113	S280 W281 V283 A284 Y322 P323 Y327	S280-M325 CarbonylContact C-O 3.57Å; S280-M325 WeakPolarHBondContact CB-O 3.4Å; S280-M325 VanDerWaalsContact OG-CA 3.26Å; S280-M325 WeakPolarHBondContact OG-CA 3.49Å; S280-M325 WeakPolarHBondContact OG-CB 3.38Å; S280-M325 PolarHBondContact OG-O 3.38Å; W281-M325 VanDerWaalsContact CD1-O 3.28Å; V283-M325 HydrophobicContact CB-CE 3.56Å; V283-M325 HydrophobicContact CB-SD 4.29Å; V283-M325 HydrophobicContact CG1-CE 3.55Å; V283-M325 HydrophobicContact CG1-SD 3.82Å; V283-M325 HydrophobicContact CG2-CE 4.3Å; A284-M325 HydrophobicContact CB-CB 3.87Å; Y322-M325 HydrophobicContact CD1-SD 3.98Å; Y322-M325 WeakPolarHBondContact O-CB 3.26Å; Y322-M325 PolarHBondContact O-N 3.37Å; Y322-M325 VanDerWaalsContact O-N 3.12Å; P323-M325 PolarHBondContact O-N 3.04Å; M325-Y327 PolarHBondContact O-N 2.94Å
326	L	94.6	Very high	80.2	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-88.6	35.2	173.7	-75.5	168.7	0	0	0	112.7	R244 W245 W281 A284 V285 P323 E324	R244-L326 HydrophobicContact CB-CB 4.12Å; R244-L326 HydrophobicContact CB-CD1 4.4Å; R244-L326 VanDerWaalsContact CD-O 3.31Å; R244-L326 WeakPolarHBondContact CD-O 3.43Å; R244-L326 PolarHBondContact NH1-O 3.04Å; W245-L326 HydrophobicContact CB-CD1 3.74Å; W245-L326 HydrophobicContact CG-CD1 4.36Å; W281-L326 HydrophobicContact CB-CD2 3.98Å; W281-L326 HydrophobicContact CD2-CD2 3.7Å; W281-L326 HydrophobicContact CE3-CD2 4.19Å; W281-L326 HydrophobicContact CG-CD2 3.63Å; A284-L326 HydrophobicContact CB-CD1 4.27Å; A284-L326 HydrophobicContact CB-CD2 4.41Å; A284-L326 HydrophobicContact CB-CG 3.86Å; V285-L326 HydrophobicContact CG2-CD2 4.25Å; P323-L326 PolarHBondContact O-N 3.31Å; E324-L326 PolarHBondContact O-N 3.13Å
327	Y	93.6	Very high	79.7	Confident	57 Å²	57	71.5 Å²	71.5	22%	0.224	36%	0.362	C	S	.	.			trans	-70	155	175.7	67.7	-100.4	0	0	0	112.6	M277 S280 W281 E324 M325 D331 F332	M277-Y327 WeakPolarHBondContact CA-OH 3.39Å; M277-Y327 HydrophobicContact CB-CE2 3.74Å; M277-Y327 HydrophobicContact CG-CD2 4.1Å; M277-Y327 HydrophobicContact CG-CE2 3.83Å; M277-Y327 WeakPolarHBondContact CG-O 3.39Å; M277-Y327 PolarHBondContact N-OH 3.17Å; S280-Y327 WeakPolarHBondContact OG-CE1 2.89Å; W281-Y327 PolarHBondContact NE1-O 3.23Å; E324-Y327 WeakPolarHBondContact O-CD1 3.44Å; M325-Y327 PolarHBondContact O-N 2.94Å; Y327-D331 VanDerWaalsContact CA-OD2 3.24Å; Y327-D331 WeakPolarHBondContact CA-OD2 3.5Å; Y327-F332 AromaticContact CD2-CE2 3.48Å; Y327-F332 HydrophobicContact CD2-CE2 3.48Å; Y327-F332 VanDerWaalsContact CD2-CE2 3.48Å; Y327-F332 HydrophobicContact CD2-CZ 4.03Å; Y327-F332 HydrophobicContact CE2-CE2 4.07Å; Y327-F332 AromaticContact CG-CE2 3.86Å; Y327-F332 HydrophobicContact CG-CE2 3.86Å; Y327-F332 AromaticContact CG-CZ 3.95Å; Y327-F332 HydrophobicContact CG-CZ 3.95Å
328	I	91.1	Very high	78.9	Confident	2 Å²	2	67.9 Å²	67.9	1%	0.01	34%	0.343	C	S	.	.			trans	-117.9	160.8	165.6	61.2	-179.9	0	0	0	109.3	R244 M277 W281 Q330 D331	R244-I328 VanDerWaalsContact NH2-CD1 3.27Å; M277-I328 HydrophobicContact SD-CG2 4.5Å; W281-I328 HydrophobicContact CH2-CG2 4.24Å; W281-I328 HydrophobicContact CZ2-CG2 3.57Å; I328-Q330 HydrophobicContact CD1-CB 4.08Å; I328-Q330 HydrophobicContact CG1-CB 4.17Å; I328-Q330 PolarHBondContact O-N 2.85Å; I328-Q330 VanDerWaalsContact O-N 3.14Å; I328-D331 VanDerWaalsContact CG1-OD1 3.28Å; I328-D331 WeakPolarHBondContact CG1-OD1 3.46Å; I328-D331 PolarHBondContact N-OD2 2.97Å; I328-D331 WeakPolarHBondContact O-CB 3.28Å; I328-D331 PolarHBondContact O-N 2.88Å
329	P	88.1	Confident	78.3	Confident	39 Å²	39	66.6 Å²	66.6	25%	0.253	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-56.9	-33.3	-179.7	-21.1	29.8	0	0	0	113.1	H274 M277 D331 F332	H274-P329 WeakPolarHBondContact NE2-CG 3.37Å; M277-P329 HydrophobicContact SD-CG 4.35Å; P329-D331 PolarHBondContact O-N 3.33Å; P329-F332 PolarHBondContact O-N 3.17Å; P329-F332 VanDerWaalsContact O-N 3.17Å
330	Q	87.1	Confident	77.5	Confident	58 Å²	58	71.6 Å²	71.6	27%	0.271	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-66.6	-15.8	179.5	-60.5	83.4	-5.7	0	0	113.2	R53 I328 F332	R53-Q330 PolarHBondContact NH1-O 2.93Å; I328-Q330 HydrophobicContact CD1-CB 4.08Å; I328-Q330 HydrophobicContact CG1-CB 4.17Å; I328-Q330 PolarHBondContact O-N 2.85Å; I328-Q330 VanDerWaalsContact O-N 3.14Å; Q330-F332 PolarHBondContact O-N 3.35Å
331	D	87.8	Confident	76.1	Confident	30 Å²	30	68.3 Å²	68.3	16%	0.16	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-69.6	-22	175.8	-60.5	-22.9	0	0	0	111.6	R244 Y327 I328 P329	R244-D331 IonicContact CZ-OD1 3.58Å; R244-D331 IonicContact CZ-OD2 3.9Å; R244-D331 IonicContact NH1-OD1 3.99Å; R244-D331 IonicContact NH1-OD2 2.76Å; R244-D331 PolarHBondContact NH1-OD2 3.02Å; R244-D331 IonicContact NH2-OD1 3.84Å; R244-D331 PolarHBondContact NH2-OD1 2.96Å; R244-D331 IonicContact NH2-OD2 3.54Å; Y327-D331 VanDerWaalsContact CA-OD2 3.24Å; Y327-D331 WeakPolarHBondContact CA-OD2 3.5Å; I328-D331 VanDerWaalsContact CG1-OD1 3.28Å; I328-D331 WeakPolarHBondContact CG1-OD1 3.46Å; I328-D331 PolarHBondContact N-OD2 2.97Å; I328-D331 WeakPolarHBondContact O-CB 3.28Å; I328-D331 PolarHBondContact O-N 2.88Å; P329-D331 PolarHBondContact O-N 3.33Å
332	F	85	Confident	74.2	Confident	145 Å²	145	69.3 Å²	69.3	64%	0.636	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-104.8	-1.7	-177.1	-52.2	-72.6	0	0	0	114.3	Y327 P329 Q330	Y327-F332 AromaticContact CD2-CE2 3.48Å; Y327-F332 HydrophobicContact CD2-CE2 3.48Å; Y327-F332 VanDerWaalsContact CD2-CE2 3.48Å; Y327-F332 HydrophobicContact CD2-CZ 4.03Å; Y327-F332 HydrophobicContact CE2-CE2 4.07Å; Y327-F332 AromaticContact CG-CE2 3.86Å; Y327-F332 HydrophobicContact CG-CE2 3.86Å; Y327-F332 AromaticContact CG-CZ 3.95Å; Y327-F332 HydrophobicContact CG-CZ 3.95Å; P329-F332 PolarHBondContact O-N 3.17Å; P329-F332 VanDerWaalsContact O-N 3.17Å; Q330-F332 PolarHBondContact O-N 3.35Å
333	Q	80.3	Confident	71.7	Confident	62 Å²	62	72.5 Å²	72.5	29%	0.29	36%	0.364	S	S	.	.			trans	-68.9	132.8	179.6	-72.2	176.8	-7	0	0	110.4	E338	Q333-E338 HydrophobicContact CB-CG 4.02Å
334	S	65.5	Low	69.1	Low	35 Å²	35	77.9 Å²	77.9	25%	0.245	40%	0.399	C	S	.	.			trans	-72.9	153.8	174.7	75.8	0	0	0	0	110.5	E336 E337 E338	S334-E336 PolarHBondContact O-N 2.73Å; S334-E337 PolarHBondContact O-N 2.91Å; S334-E337 WeakPolarHBondContact OG-CB 3.37Å; S334-E337 VanDerWaalsContact OG-CG 3.27Å; S334-E337 WeakPolarHBondContact OG-CG 3.38Å; S334-E337 PolarHBondContact OG-N 3.31Å; S334-E337 VanDerWaalsContact OG-N 3.11Å; S334-E338 PolarHBondContact O-N 3.46Å
335	P	61.6	Low	66.7	Low	80 Å²	80	79.9 Å²	79.9	52%	0.519	42%	0.417	S	S	.	.	H	α-helix	trans	-56.6	-32	175.3	-21.2	31.5	0	0	0	112.6
336	E	56.5	Low	63.8	Low	148 Å²	148	85.5 Å²	85.5	69%	0.692	44%	0.443	S	S	*	.	H	α-helix	trans	-73	-43.1	-178.8	-65.4	158	-168.4	0	0	111.3	S334 E338 D339 Y340	S334-E336 PolarHBondContact O-N 2.73Å; E336-E338 VanDerWaalsContact C-N 3.29Å; E336-E338 PolarHBondContact O-N 2.8Å; E336-D339 PolarHBondContact O-N 3.17Å; E336-Y340 WeakPolarHBondContact O-CD2 3.38Å
337	E	56.5	Low	61.2	Low	118 Å²	118	92 Å²	92	55%	0.551	48%	0.482	S	S	*	.	H	α-helix	trans	-66.5	-29.7	176.9	-74.2	173.6	-172.7	0	0	112.6	S334 T341	S334-E337 PolarHBondContact O-N 2.91Å; S334-E337 WeakPolarHBondContact OG-CB 3.37Å; S334-E337 VanDerWaalsContact OG-CG 3.27Å; S334-E337 WeakPolarHBondContact OG-CG 3.38Å; S334-E337 PolarHBondContact OG-N 3.31Å; S334-E337 VanDerWaalsContact OG-N 3.11Å; E337-T341 WeakPolarHBondContact O-CG2 3.43Å
338	E	53.6	Low	58.9	Low	6 Å²	6	96.4 Å²	96.4	3%	0.028	50%	0.498	C	S	.	.	H	α-helix	trans	-66.8	-35.6	179.3	-76.2	179.7	177.3	0	0	112.7	R46 R53 Q333 S334 E336 T341	R46-E338 VanDerWaalsContact CG-OE2 3.24Å; R46-E338 WeakPolarHBondContact CG-OE2 3.17Å; R46-E338 VanDerWaalsContact CZ-O 3.28Å; R46-E338 PolarHBondContact NH1-O 3.24Å; R46-E338 PolarHBondContact NH2-O 3.25Å; R53-E338 IonicContact CZ-OE1 3.44Å; R53-E338 VanDerWaalsContact CZ-OE1 3.29Å; R53-E338 IonicContact NH1-OE1 3.05Å; R53-E338 PolarHBondContact NH1-OE1 3.21Å; R53-E338 IonicContact NH2-OE1 2.89Å; R53-E338 PolarHBondContact NH2-OE1 3.5Å; R53-E338 IonicContact NH2-OE2 2.69Å; R53-E338 PolarHBondContact NH2-OE2 3.25Å; Q333-E338 HydrophobicContact CB-CG 4.02Å; S334-E338 PolarHBondContact O-N 3.46Å; E336-E338 VanDerWaalsContact C-N 3.29Å; E336-E338 PolarHBondContact O-N 2.8Å; E338-T341 PolarHBondContact O-OG1 3Å
339	D	50.5	Low	57	Low	116 Å²	116	98.9 Å²	98.9	62%	0.62	52%	0.516	S	S	*	.	H	α-helix	trans	-75	-25.9	-179.4	-79.2	-12.9	0	0	0	113.4	R46 E336	R46-D339 IonicContact NH1-OD1 3.51Å; E336-D339 PolarHBondContact O-N 3.17Å
340	Y	45	Very low	55	Low	183 Å²	183	103.4 Å²	103.4	72%	0.718	54%	0.538	S	S	*	.	H	α-helix	trans	-82.9	-16.2	177.6	-71.1	-76.2	0	0	0	114.3	E336 D342 V343	E336-Y340 WeakPolarHBondContact O-CD2 3.38Å; Y340-D342 PolarHBondContact O-N 3.4Å; Y340-V343 PolarHBondContact O-N 3.46Å
341	T	47.3	Very low	53	Low	83 Å²	83	107.3 Å²	107.3	51%	0.509	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.9	-4.4	-179.7	55.4	0	0	0	0	114.8	E337 E338 V343	E337-T341 WeakPolarHBondContact O-CG2 3.43Å; E338-T341 PolarHBondContact O-OG1 3Å; T341-V343 VanDerWaalsContact C-N 3.27Å
342	D	44.5	Very low	51.3	Low	125 Å²	125	109.8 Å²	109.8	67%	0.668	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	-5.1	172.1	-82	-8.6	0	0	0	113.2	R46 Y340 P344	R46-D342 IonicContact NH2-OD1 2.82Å; Y340-D342 PolarHBondContact O-N 3.4Å; D342-P344 WeakPolarHBondContact O-CD 3.47Å
343	V	37.8	Very low	49.9	Very low	97 Å²	97	106.6 Å²	106.6	59%	0.588	55%	0.554	S	S	*	*	S	Bend	trans	-71.3	122.4	162.6	-173.1	0	0	0	0	106.8	Y340 T341 V345	Y340-V343 PolarHBondContact O-N 3.46Å; T341-V343 VanDerWaalsContact C-N 3.27Å; V343-V345 VanDerWaalsContact C-N 3.32Å; V343-V345 PolarHBondContact O-N 2.93Å
344	P	38.6	Very low	48.7	Very low	117 Å²	117	108.3 Å²	108.3	76%	0.76	57%	0.565	S	S	*	*			trans	-62.2	99.7	176.8	25	-30.5	0	0	0	107.8	D342 Q346	D342-P344 WeakPolarHBondContact O-CD 3.47Å; P344-Q346 PolarHBondContact O-N 3.43Å
345	V	40.8	Very low	48.3	Very low	126 Å²	126	111.9 Å²	111.9	76%	0.764	58%	0.578	S	S	*	*			trans	-58.2	115.7	161.5	177.9	0	0	0	0	104.1	V343 V347	V343-V345 VanDerWaalsContact C-N 3.32Å; V343-V345 PolarHBondContact O-N 2.93Å; V345-V347 PolarHBondContact O-N 3.44Å
346	Q	33.1	Very low	47.7	Very low	169 Å²	169	111.7 Å²	111.7	79%	0.79	57%	0.572	S	S	*	*			trans	-49.5	111.3	174	-126.7	169.2	-29.3	0	0	106.4	P344 R348	P344-Q346 PolarHBondContact O-N 3.43Å; Q346-R348 PolarHBondContact O-N 3.02Å
347	V	40.1	Very low	47.7	Very low	135 Å²	135	107.3 Å²	107.3	82%	0.818	56%	0.561	S	S	*	*			trans	-54.9	115.6	169.1	174.6	0	0	0	0	104.4	V345 S349	V345-V347 PolarHBondContact O-N 3.44Å; V347-S349 PolarHBondContact O-N 3.31Å
348	R	46.6	Very low	47.5	Very low	150 Å²	150	110 Å²	110	57%	0.566	57%	0.567	S	S	*	*			trans	-55.4	128.4	176.1	-78.8	-177.5	177	174	-3.5	107.3	Q346 E352 L356	Q346-R348 PolarHBondContact O-N 3.02Å; R348-E352 VanDerWaalsContact CA-OE2 3.23Å; R348-E352 WeakPolarHBondContact CA-OE2 3.21Å; R348-E352 HydrophobicContact CB-CB 4.25Å; R348-L356 VanDerWaalsContact NH1-CD1 3.27Å
349	S	50.5	Low	47.1	Very low	55 Å²	55	111.7 Å²	111.7	39%	0.385	59%	0.586	S	S	.	*			trans	-65.8	152.5	175.7	61.5	0	0	0	0	109.5	V347 F351 E352 D353	V347-S349 PolarHBondContact O-N 3.31Å; S349-F351 PolarHBondContact O-N 2.7Å; S349-E352 PolarHBondContact N-OE2 3.36Å; S349-E352 WeakPolarHBondContact O-CA 3.36Å; S349-E352 WeakPolarHBondContact O-CB 3.29Å; S349-E352 PolarHBondContact O-N 3.14Å; S349-E352 WeakPolarHBondContact OG-CG 3.36Å; S349-E352 PolarHBondContact OG-N 2.9Å; S349-E352 PolarHBondContact OG-OE2 2.64Å; S349-D353 PolarHBondContact O-N 3.36Å
350	D	45.2	Very low	46.9	Very low	133 Å²	133	112.7 Å²	112.7	71%	0.711	59%	0.585	S	S	*	*	H	α-helix	trans	-51.8	-29.8	173.8	-59.9	-30.2	0	0	0	111.5	D353 D354	D350-D353 PolarHBondContact O-N 2.85Å; D350-D354 WeakPolarHBondContact O-CB 3.39Å; D350-D354 VanDerWaalsContact O-CG 3.28Å; D350-D354 PolarHBondContact O-N 3.39Å
351	F	47.1	Very low	47	Very low	141 Å²	141	110.7 Å²	110.7	62%	0.618	58%	0.584	S	S	*	*	H	α-helix	trans	-68	-32.7	174.5	-176.6	-106.5	0	0	0	114.6	S349 Q355	S349-F351 PolarHBondContact O-N 2.7Å; F351-Q355 WeakPolarHBondContact O-CG 3.46Å; F351-Q355 PolarHBondContact O-N 3.43Å; F351-Q355 VanDerWaalsContact O-N 3.15Å; F351-Q355 PolarHBondContact O-NE2 3.43Å
352	E	50.4	Low	47.2	Very low	81 Å²	81	114.8 Å²	114.8	38%	0.379	60%	0.597	S	S	.	*	H	α-helix	trans	-76.7	-34.1	174.9	-72.8	168.5	131.1	0	0	111.3	R348 S349 L356	R348-E352 VanDerWaalsContact CA-OE2 3.23Å; R348-E352 WeakPolarHBondContact CA-OE2 3.21Å; R348-E352 HydrophobicContact CB-CB 4.25Å; S349-E352 PolarHBondContact N-OE2 3.36Å; S349-E352 WeakPolarHBondContact O-CA 3.36Å; S349-E352 WeakPolarHBondContact O-CB 3.29Å; S349-E352 PolarHBondContact O-N 3.14Å; S349-E352 WeakPolarHBondContact OG-CG 3.36Å; S349-E352 PolarHBondContact OG-N 2.9Å; S349-E352 PolarHBondContact OG-OE2 2.64Å; E352-L356 WeakPolarHBondContact O-CB 3.41Å; E352-L356 PolarHBondContact O-N 2.92Å; E352-L356 VanDerWaalsContact O-N 3.1Å
353	D	56.5	Low	47.1	Very low	78 Å²	78	113.9 Å²	113.9	42%	0.417	59%	0.592	S	S	.	*	H	α-helix	trans	-69.9	-39.4	173.8	-82.7	-4.9	0	0	0	111.6	S349 D350 L356 A357	S349-D353 PolarHBondContact O-N 3.36Å; D350-D353 PolarHBondContact O-N 2.85Å; D353-L356 WeakPolarHBondContact O-CB 3.46Å; D353-L356 PolarHBondContact O-N 3.37Å; D353-A357 PolarHBondContact O-N 3.41Å
354	D	55.9	Low	47.2	Very low	99 Å²	99	114.6 Å²	114.6	53%	0.529	60%	0.598	S	S	.	*	H	α-helix	trans	-63	-44.4	173.3	-76.4	-21.4	0	0	0	111.5	D350 L356 A357 W358	D350-D354 WeakPolarHBondContact O-CB 3.39Å; D350-D354 VanDerWaalsContact O-CG 3.28Å; D350-D354 PolarHBondContact O-N 3.39Å; D354-L356 VanDerWaalsContact C-N 3.27Å; D354-L356 PolarHBondContact O-N 2.96Å; D354-A357 WeakPolarHBondContact O-CB 3.41Å; D354-A357 PolarHBondContact O-N 3.27Å; D354-W358 PolarHBondContact O-N 3.03Å
355	Q	55.2	Low	47.3	Very low	109 Å²	109	116.9 Å²	116.9	51%	0.509	60%	0.604	S	S	.	*	H	α-helix	trans	-61.3	-36.2	175	-82.2	178.9	89.2	0	0	112.7	F351 W358 G359	F351-Q355 WeakPolarHBondContact O-CG 3.46Å; F351-Q355 PolarHBondContact O-N 3.43Å; F351-Q355 VanDerWaalsContact O-N 3.15Å; F351-Q355 PolarHBondContact O-NE2 3.43Å; Q355-W358 PolarHBondContact O-N 3.21Å; Q355-G359 PolarHBondContact O-N 2.93Å
356	L	50.9	Low	47.3	Very low	76 Å²	76	116.8 Å²	116.8	40%	0.398	60%	0.604	S	S	.	*	H	α-helix	trans	-68.3	-40.7	176	-130.1	147.3	0	0	0	111	R348 E352 D353 D354 G359 F360	R348-L356 VanDerWaalsContact NH1-CD1 3.27Å; E352-L356 WeakPolarHBondContact O-CB 3.41Å; E352-L356 PolarHBondContact O-N 2.92Å; E352-L356 VanDerWaalsContact O-N 3.1Å; D353-L356 WeakPolarHBondContact O-CB 3.46Å; D353-L356 PolarHBondContact O-N 3.37Å; D354-L356 VanDerWaalsContact C-N 3.27Å; D354-L356 PolarHBondContact O-N 2.96Å; L356-G359 PolarHBondContact O-N 3.2Å; L356-F360 HydrophobicContact CD2-CD2 4.15Å; L356-F360 HydrophobicContact CD2-CE2 3.51Å; L356-F360 HydrophobicContact CD2-CZ 4.47Å; L356-F360 WeakPolarHBondContact O-CD2 3.48Å; L356-F360 PolarHBondContact O-N 2.99Å
357	A	56.3	Low	47.5	Very low	56 Å²	56	114.3 Å²	114.3	46%	0.463	60%	0.603	S	S	.	*	H	α-helix	trans	-63	-39.7	173.6	0	0	0	0	0	112.2	D353 D354 F360 M361	D353-A357 PolarHBondContact O-N 3.41Å; D354-A357 WeakPolarHBondContact O-CB 3.41Å; D354-A357 PolarHBondContact O-N 3.27Å; A357-F360 PolarHBondContact O-N 3.22Å; A357-M361 PolarHBondContact O-N 3.46Å
358	W	50.6	Low	47.4	Very low	175 Å²	175	118.1 Å²	118.1	66%	0.663	60%	0.604	S	S	*	*	H	α-helix	trans	-62.7	-40.1	173.2	-82.4	106.3	0	0	0	112.5	D354 Q355 F360 M361	D354-W358 PolarHBondContact O-N 3.03Å; Q355-W358 PolarHBondContact O-N 3.21Å; W358-F360 PolarHBondContact O-N 2.54Å; W358-M361 HydrophobicContact CD2-SD 4.48Å; W358-M361 HydrophobicContact CE3-SD 3.91Å; W358-M361 HydrophobicContact CZ3-SD 3.96Å; W358-M361 WeakPolarHBondContact O-CB 3.16Å; W358-M361 PolarHBondContact O-N 2.99Å
359	G	46.1	Very low	46.6	Very low	42 Å²	42	118.3 Å²	118.3	43%	0.433	62%	0.616	S	S	.	*	H	α-helix	trans	-63.2	-25	175	0	0	0	0	0	114.2	Q355 L356	Q355-G359 PolarHBondContact O-N 2.93Å; L356-G359 PolarHBondContact O-N 3.2Å
360	F	45.9	Very low	46.2	Very low	136 Å²	136	120.5 Å²	120.5	60%	0.596	63%	0.631	S	S	*	*	H	α-helix	trans	-80.9	-15.2	173.4	-79.4	-72.3	0	0	0	113.7	L356 A357 W358 E362 L363	L356-F360 HydrophobicContact CD2-CD2 4.15Å; L356-F360 HydrophobicContact CD2-CE2 3.51Å; L356-F360 HydrophobicContact CD2-CZ 4.47Å; L356-F360 WeakPolarHBondContact O-CD2 3.48Å; L356-F360 PolarHBondContact O-N 2.99Å; A357-F360 PolarHBondContact O-N 3.22Å; W358-F360 PolarHBondContact O-N 2.54Å; F360-E362 PolarHBondContact O-N 3.02Å; F360-L363 HydrophobicContact CD1-CD1 3.66Å; F360-L363 HydrophobicContact CE1-CD1 4.21Å
361	M	48.5	Very low	45.6	Very low	141 Å²	141	121.6 Å²	121.6	70%	0.695	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-10.1	174.2	-63.4	-165.2	69	0	0	113.3	A357 W358	A357-M361 PolarHBondContact O-N 3.46Å; W358-M361 HydrophobicContact CD2-SD 4.48Å; W358-M361 HydrophobicContact CE3-SD 3.91Å; W358-M361 HydrophobicContact CZ3-SD 3.96Å; W358-M361 WeakPolarHBondContact O-CB 3.16Å; W358-M361 PolarHBondContact O-N 2.99Å
362	E	49.6	Very low	45.4	Very low	169 Å²	169	120.1 Å²	120.1	79%	0.79	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	-0.8	178	-64.5	-173	163.7	0	0	113.4	F360	F360-E362 PolarHBondContact O-N 3.02Å
363	L	43.4	Very low	44.5	Very low	106 Å²	106	120.1 Å²	120.1	56%	0.555	67%	0.666	S	S	*	*	S	Bend	trans	-75.8	138.1	174.7	-65.6	178.6	0	0	0	110.2	F360 D365	F360-L363 HydrophobicContact CD1-CD1 3.66Å; F360-L363 HydrophobicContact CE1-CD1 4.21Å; L363-D365 PolarHBondContact O-N 2.92Å
364	P	39.4	Very low	43.5	Very low	112 Å²	112	125.2 Å²	125.2	73%	0.727	69%	0.688	S	S	*	*			trans	-64.2	128.8	-177.5	24	-31.8	0	0	0	111.1	T366	P364-T366 PolarHBondContact O-N 2.88Å
365	D	40.2	Very low	42.8	Very low	166 Å²	166	125.6 Å²	125.6	89%	0.888	70%	0.698	S	S	*	*			trans	-57.2	104.8	175.2	-74.8	-40.9	0	0	0	110.3	L363	L363-D365 PolarHBondContact O-N 2.92Å
366	T	42.2	Very low	41.6	Very low	124 Å²	124	129.5 Å²	129.5	76%	0.761	72%	0.716	S	S	*	*			trans	-86.9	123.8	160.7	49.4	0	0	0	0	108	P364 Y368	P364-T366 PolarHBondContact O-N 2.88Å; T366-Y368 PolarHBondContact O-N 3.12Å
367	P	36.1	Very low	40.6	Very low	116 Å²	116	130.4 Å²	130.4	75%	0.753	73%	0.728	S	S	*	*			trans	-65.6	127.2	-175.2	24.6	-31.5	0	0	0	110.2	D369	P367-D369 PolarHBondContact O-N 3.05Å
368	Y	38.2	Very low	39.2	Very low	216 Å²	216	132.9 Å²	132.9	85%	0.847	74%	0.742	S	S	*	*			trans	-79.5	94.1	178.1	-153.6	-93.5	0	0	0	108.4	T366 S370	T366-Y368 PolarHBondContact O-N 3.12Å; Y368-S370 PolarHBondContact O-N 3.08Å
369	D	31.1	Very low	38	Very low	154 Å²	154	129.3 Å²	129.3	82%	0.824	74%	0.744	S	S	*	*			trans	-68.7	102	171	-85	-26.8	0	0	0	109.2	P367	P367-D369 PolarHBondContact O-N 3.05Å
370	S	42.1	Very low	37.3	Very low	100 Å²	100	133.5 Å²	133.5	70%	0.699	76%	0.761	S	S	*	*			trans	-69.6	117.9	155.4	-72.7	0	0	0	0	107.8	Y368	Y368-S370 PolarHBondContact O-N 3.08Å
371	D	31.2	Very low	37	Very low	157 Å²	157	132.9 Å²	132.9	84%	0.84	77%	0.771	S	S	*	*			trans	-148.5	134.1	144.2	-129.1	-13.2	0	0	0	114.2
372	S	43.2	Very low	36	Very low	110 Å²	110	133.4 Å²	133.4	77%	0.769	77%	0.769	S	S	*	*			trans	-82.5	134.4	165.9	45.3	0	0	0	0	109.4
373	G	31.9	Very low	35	Very low	81 Å²	81	132.4 Å²	132.4	84%	0.835	77%	0.769	S	S	*	*			trans	166.6	137.8	166.9	0	0	0	0	0	115.3
374	E	35.2	Very low	34.2	Very low	185 Å²	185	132.6 Å²	132.6	86%	0.864	77%	0.767	S	S	*	*			trans	-71.1	158.3	-174.3	-66.5	179.4	135.3	0	0	115.1
375	S	41	Very low	33.7	Very low	106 Å²	106	134.6 Å²	134.6	74%	0.741	77%	0.766	S	S	*	*			trans	45.3	124.3	142.9	-52.4	0	0	0	0	120.1
376	Q	30.4	Very low	33.1	Very low	192 Å²	192	135 Å²	135	90%	0.897	77%	0.768	S	S	*	*				-174	156	117.9	-82.9	-121.6	-12	0	0	112.1
377	S	30.1	Very low	32.4	Very low	94 Å²	94	137.7 Å²	137.7	66%	0.657	77%	0.771	S	S	*	*			trans	-74.5	170.9	-169	49.6	0	0	0	0	117.4
378	S	25.9	Very low	32.2	Very low	108 Å²	108	139.6 Å²	139.6	76%	0.755	78%	0.775	S	S	*	*			trans	85.2	143	152.5	86.9	0	0	0	0	115.4
379	S	26.7	Very low	32.3	Very low	101 Å²	101	133.8 Å²	133.8	71%	0.706	76%	0.764	S	S	*	*			cis	-166.6	137.9	-4.7	-4.6	0	0	0	0	107.8
380	V	31.1	Very low	32.3	Very low	129 Å²	129	133 Å²	133	78%	0.782	76%	0.759	S	S	*	*			trans	10.8	154.5	142	-130.3	0	0	0	0	119.2
381	P	40.3	Very low	31.7	Very low	124 Å²	124	136.2 Å²	136.2	81%	0.805	77%	0.767	S	S	*	*			cis	-147.9	-177.6	43.8	21.9	7.5	0	0	0	115.7
382	F	26.9	Very low	31.8	Very low	151 Å²	151	136 Å²	136	66%	0.662	77%	0.765	S	S	*	*			cis	179.9	145.1	-13.5	179.4	-103.3	0	0	0	106.1	H384	F382-H384 AromaticContact CE1-CD2 3.21Å; F382-H384 WeakPolarHBondContact CE1-CD2 3.44Å; F382-H384 AromaticContact CE1-NE2 3.46Å; F382-H384 WeakPolarHBondContact CE1-NE2 3.35Å; F382-H384 AromaticContact CZ-CD2 3.44Å; F382-H384 VanDerWaalsContact CZ-CD2 3.44Å; F382-H384 WeakPolarHBondContact CZ-CD2 3.48Å; F382-H384 AromaticContact CZ-NE2 3.38Å; F382-H384 WeakPolarHBondContact CZ-NE2 3.38Å
383	L	27.7	Very low	31.2	Very low	149 Å²	149	139.6 Å²	139.6	78%	0.78	77%	0.77	S	S	*	*			trans	159.1	94.2	142.2	-88.3	159.5	0	0	0	109.9
384	H	27	Very low	31.2	Very low	109 Å²	109	145.4 Å²	145.4	51%	0.505	80%	0.798	S	S	.	*				84.1	102.3	101.5	-102.5	-96.1	0	0	0	112.3	F382	F382-H384 AromaticContact CE1-CD2 3.21Å; F382-H384 WeakPolarHBondContact CE1-CD2 3.44Å; F382-H384 AromaticContact CE1-NE2 3.46Å; F382-H384 WeakPolarHBondContact CE1-NE2 3.35Å; F382-H384 AromaticContact CZ-CD2 3.44Å; F382-H384 VanDerWaalsContact CZ-CD2 3.44Å; F382-H384 WeakPolarHBondContact CZ-CD2 3.48Å; F382-H384 AromaticContact CZ-NE2 3.38Å; F382-H384 WeakPolarHBondContact CZ-NE2 3.38Å
385	E	28.4	Very low	31	Very low	155 Å²	155	143.5 Å²	143.5	72%	0.724	79%	0.794	S	S	*	*				95.1	116.3	81.4	-100.3	-169.4	-173.3	0	0	110.5
386	L	28.3	Very low	30.4	Very low	174 Å²	174	145.4 Å²	145.4	91%	0.911	80%	0.797	S	S	*	*				-172.5	91.2	124.1	-105.8	139.7	0	0	0	108.2
387	E	27.6	Very low	30.4	Very low	180 Å²	180	142.8 Å²	142.8	84%	0.841	79%	0.791	S	S	*	*			trans	-87.1	136.7	145.4	-81.8	-178.3	147.5	0	0	107.1
388	D	31.4	Very low	30.5	Very low	156 Å²	156	145.7 Å²	145.7	83%	0.834	80%	0.799	S	S	*	*				-168.4	159.1	116.6	-110.8	-1.6	0	0	0	111.3
389	P	40.1	Very low	30.7	Very low	94 Å²	94	148.1 Å²	148.1	61%	0.61	80%	0.802	S	S	*	*			trans	-122.7	-172.9	-148.9	29.5	-5.4	0	0	0	112.9
390	I	31.2	Very low	31	Very low	139 Å²	139	151.2 Å²	151.2	71%	0.713	81%	0.808	S	S	*	*			trans	81.5	115.6	158.1	-46	177.1	0	0	0	115.8
391	L	29.5	Very low	31	Very low	166 Å²	166	152.8 Å²	152.8	87%	0.869	81%	0.81	S	S	*	*				-163.2	123.5	109.2	-97.9	167	0	0	0	112.5
392	L	33.8	Very low	30.3	Very low	154 Å²	154	155 Å²	155	81%	0.806	81%	0.811	S	S	*	*			trans	-54.2	134.8	164.8	-76.3	146.9	0	0	0	111.4
393	Q	30.6	Very low	30.6	Very low	185 Å²	185	155.3 Å²	155.3	86%	0.864	82%	0.823	S	S	*	*				173.7	108.4	124.1	-98.1	174.3	0.5	0	0	110.1
394	S	31.3	Very low	30.8	Very low	203 Å²	203	155.9 Å²	155.9	100%	1.42	83%	0.827	S	S	*	*			trans	146.9	0	144.1	-61.7	0	0	0	0	110.5

Retrieved 394 of 394 residues in 72.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).