A0A3B3UES4_9TELE Loading...

Dual specificity mitogen-activated protein kinase kinase 1

AlphaFold DB , UniProt , Accession A0A3B3UES4, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 394 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.5	Very low	36.6	Very low	251 Å²	251	188.8 Å²	188.8	100%	1.236	90%	0.898	S	S	*	*				0	91.9	0	-77.9	178.5	155.5	0	0	109.3
2	Q	36.8	Very low	36.3	Very low	197 Å²	197	186.9 Å²	186.9	92%	0.921	90%	0.895	S	S	*	*	P	Polyproline II helix	trans	-100.1	122.8	176.4	-80.9	174.1	-7.1	0	0	109.2	R4	Q2-R4 PolarHBondContact O-N 3.36Å
3	K	36.3	Very low	35.9	Very low	213 Å²	213	183.5 Å²	183.5	93%	0.926	89%	0.885	S	S	*	*	P	Polyproline II helix	trans	-73.5	118.8	177.7	-73.5	179.3	176	178.2	0	109.5
4	R	37.3	Very low	35.5	Very low	248 Å²	248	179.3 Å²	179.3	94%	0.936	88%	0.879	S	S	*	*	P	Polyproline II helix	trans	-68.3	124.8	171	-75.9	179.5	171.5	177.3	-3.4	109.9	Q2	Q2-R4 PolarHBondContact O-N 3.36Å
5	K	40.6	Very low	35.5	Very low	205 Å²	205	177.7 Å²	177.7	89%	0.891	87%	0.874	S	S	*	*	P	Polyproline II helix	trans	-70.2	134.1	166.7	-83.4	-178.4	172	-178.2	0	109.2
6	K	38.1	Very low	35.4	Very low	197 Å²	197	174.1 Å²	174.1	86%	0.857	87%	0.868	S	S	*	*	P	Polyproline II helix	trans	-73.6	138.2	170	-76.4	-179.2	174.5	-178.1	0	109.5
7	P	35.8	Very low	35.2	Very low	130 Å²	130	173.4 Å²	173.4	84%	0.844	87%	0.868	S	S	*	*	P	Polyproline II helix	trans	-76.3	140.3	169.4	29.6	-30.1	0	0	0	110.8
8	E	39.7	Very low	35.2	Very low	181 Å²	181	167.8 Å²	167.8	85%	0.846	86%	0.861	S	S	*	*	P	Polyproline II helix	trans	-76.8	155.6	175	-72.9	-179.1	166.5	0	0	111.8
9	P	30.9	Very low	34.8	Very low	121 Å²	121	166.9 Å²	166.9	79%	0.786	86%	0.859	S	S	*	*	P	Polyproline II helix	trans	-76.7	132.9	-177.3	5.5	10	0	0	0	111.7	Q11	P9-Q11 PolarHBondContact O-N 2.7Å
10	I	35	Very low	34.6	Very low	154 Å²	154	165.4 Å²	165.4	79%	0.79	86%	0.857	S	S	*	*	P	Polyproline II helix	trans	-71.1	120.1	172.1	-61.5	169.9	0	0	0	108.4	L12	I10-L12 PolarHBondContact O-N 3.43Å
11	Q	30.7	Very low	34.5	Very low	180 Å²	180	165 Å²	165	84%	0.841	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-74.8	119	168.6	-71.6	-174.8	-4.3	0	0	109.3	P9	P9-Q11 PolarHBondContact O-N 2.7Å
12	L	32.8	Very low	33.9	Very low	166 Å²	166	159.6 Å²	159.6	87%	0.869	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-86.2	118.7	171.2	-81.4	152.8	0	0	0	108.9	I10	I10-L12 PolarHBondContact O-N 3.43Å
13	N	31.7	Very low	33.8	Very low	143 Å²	143	153.5 Å²	153.5	77%	0.765	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-69.4	145.4	166.8	-78.8	-15.4	0	0	0	110.1
14	P	30.6	Very low	33.8	Very low	124 Å²	124	148.4 Å²	148.4	81%	0.805	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-67.2	138.8	177.6	26.3	-31.4	0	0	0	111.6
15	I	35.4	Very low	33.3	Very low	155 Å²	155	138.6 Å²	138.6	80%	0.795	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-70.6	134.9	174.1	-60.7	168.1	0	0	0	108	D17	I15-D17 PolarHBondContact O-N 2.84Å
16	P	32.6	Very low	33.1	Very low	120 Å²	120	132.1 Å²	132.1	78%	0.779	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-72.8	125.7	174.8	26.8	-27	0	0	0	110.3
17	D	32.4	Very low	33.5	Very low	163 Å²	163	125.9 Å²	125.9	87%	0.872	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-61.9	144.2	170.8	-78.4	-46.5	0	0	0	112	I15	I15-D17 PolarHBondContact O-N 2.84Å
18	G	35	Very low	33.7	Very low	72 Å²	72	126.3 Å²	126.3	74%	0.742	74%	0.741	S	S	*	*			trans	85.7	93.5	148.8	0	0	0	0	0	116.5
19	N	27.4	Very low	34.1	Very low	152 Å²	152	121.9 Å²	121.9	81%	0.813	73%	0.726	S	S	*	*			trans	-134.9	100	143.9	-120.1	10.8	0	0	0	109.1	I21	N19-I21 PolarHBondContact O-N 3.48Å; N19-I21 VanDerWaalsContact O-N 3.12Å
20	T	31.8	Very low	35.4	Very low	136 Å²	136	121.2 Å²	121.2	83%	0.834	72%	0.716	S	S	*	*			trans	-55.9	105.7	160.7	18.1	0	0	0	0	108.6	N22	T20-N22 PolarHBondContact O-N 2.84Å
21	I	32.9	Very low	36.5	Very low	156 Å²	156	117.2 Å²	117.2	80%	0.8	70%	0.696	S	S	*	*			trans	-84.3	111.5	169.6	-55.2	176.9	0	0	0	106.7	N19 G23	N19-I21 PolarHBondContact O-N 3.48Å; N19-I21 VanDerWaalsContact O-N 3.12Å; I21-G23 PolarHBondContact O-N 3.34Å
22	N	28.6	Very low	38.1	Very low	139 Å²	139	115.3 Å²	115.3	74%	0.743	69%	0.687	S	S	*	*			trans	-54.8	117.2	172.3	-78.1	-27.6	0	0	0	110.1	T20 T24	T20-N22 PolarHBondContact O-N 2.84Å; N22-T24 PolarHBondContact O-N 2.88Å
23	G	34.4	Very low	39.7	Very low	69 Å²	69	109.7 Å²	109.7	71%	0.711	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	32.7	-172.9	0	0	0	0	0	116.4	I21	I21-G23 PolarHBondContact O-N 3.34Å
24	T	35.6	Very low	41.2	Very low	105 Å²	105	104.6 Å²	104.6	64%	0.644	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99	-35.2	178.9	48.8	0	0	0	0	112.9	N22 A26 S27	N22-T24 PolarHBondContact O-N 2.88Å; T24-A26 PolarHBondContact O-N 3.28Å; T24-S27 PolarHBondContact O-OG 2.83Å
25	G	27.1	Very low	42.9	Very low	42 Å²	42	102.9 Å²	102.9	43%	0.433	62%	0.618	S	S	.	*	H	α-helix	trans	-77.1	-19.6	-174.7	0	0	0	0	0	117.1	T29	G25-T29 PolarHBondContact O-OG1 2.86Å
26	A	37.6	Very low	44.6	Very low	69 Å²	69	102.1 Å²	102.1	57%	0.57	61%	0.609	S	S	*	*	H	α-helix	trans	-81.8	-15.1	178.9	0	0	0	0	0	113.5	T24 T29 N30	T24-A26 PolarHBondContact O-N 3.28Å; A26-T29 PolarHBondContact O-OG1 3.43Å; A26-N30 PolarHBondContact O-ND2 2.9Å
27	S	45.8	Very low	46.3	Very low	66 Å²	66	101.9 Å²	101.9	46%	0.462	60%	0.596	S	S	.	*	H	α-helix	trans	-88.7	-40.6	-178.3	70.7	0	0	0	0	112.5	T24 N30 L31	T24-S27 PolarHBondContact O-OG 2.83Å; S27-N30 WeakPolarHBondContact O-CB 3.45Å; S27-N30 PolarHBondContact O-N 2.83Å; S27-L31 PolarHBondContact O-N 3.31Å
28	E	39.4	Very low	48	Very low	140 Å²	140	94.6 Å²	94.6	65%	0.654	56%	0.557	S	S	*	*	H	α-helix	trans	-69.5	-43.2	177.4	-72.6	177.9	158.2	0	0	112.1	N30 L31 E32	E28-N30 PolarHBondContact O-N 3.38Å; E28-L31 PolarHBondContact O-N 3.3Å; E28-E32 PolarHBondContact O-N 3.02Å
29	T	47.5	Very low	49.7	Very low	87 Å²	87	98.5 Å²	98.5	53%	0.534	56%	0.556	S	S	.	*	H	α-helix	trans	-61.7	-29	174.7	43.6	0	0	0	0	112.9	G25 A26 A33	G25-T29 PolarHBondContact O-OG1 2.86Å; A26-T29 PolarHBondContact O-OG1 3.43Å; T29-A33 VanDerWaalsContact O-CB 3.29Å; T29-A33 WeakPolarHBondContact O-CB 3.39Å; T29-A33 PolarHBondContact O-N 3.07Å
30	N	60	Low	52	Low	108 Å²	108	96.8 Å²	96.8	58%	0.578	54%	0.543	S	S	*	.	H	α-helix	trans	-73.5	-34.7	173.3	-104.1	-31.9	0	0	0	112.4	A26 S27 E28 L34	A26-N30 PolarHBondContact O-ND2 2.9Å; S27-N30 WeakPolarHBondContact O-CB 3.45Å; S27-N30 PolarHBondContact O-N 2.83Å; E28-N30 PolarHBondContact O-N 3.38Å; N30-L34 WeakPolarHBondContact O-CB 3.48Å; N30-L34 PolarHBondContact O-N 3.44Å
31	L	57.5	Low	54	Low	69 Å²	69	91.9 Å²	91.9	36%	0.361	51%	0.511	S	S	.	.	H	α-helix	trans	-72	-43.9	-178	-156.9	88.4	0	0	0	111.8	S27 E28 L34 Q35 Q59	S27-L31 PolarHBondContact O-N 3.31Å; E28-L31 PolarHBondContact O-N 3.3Å; L31-L34 WeakPolarHBondContact O-CB 3.41Å; L31-L34 PolarHBondContact O-N 3.47Å; L31-Q35 PolarHBondContact O-N 3.49Å; L31-Q59 VanDerWaalsContact CD1-NE2 3.33Å
32	E	64.2	Low	56.4	Low	140 Å²	140	94.3 Å²	94.3	65%	0.654	52%	0.519	S	S	*	.	H	α-helix	trans	-66	-42	176.7	-70.1	-176.8	164.4	0	0	111.8	E28 L34 Q35 K36	E28-E32 PolarHBondContact O-N 3.02Å; E32-L34 PolarHBondContact O-N 3.21Å; E32-Q35 PolarHBondContact O-N 2.98Å; E32-K36 WeakPolarHBondContact O-CB 3.42Å; E32-K36 PolarHBondContact O-N 3.39Å
33	A	66.6	Low	59	Low	48 Å²	48	89.5 Å²	89.5	40%	0.397	49%	0.493	S	S	.	.	H	α-helix	trans	-63.2	-34.3	174.9	0	0	0	0	0	112	T29 K37	T29-A33 VanDerWaalsContact O-CB 3.29Å; T29-A33 WeakPolarHBondContact O-CB 3.39Å; T29-A33 PolarHBondContact O-N 3.07Å; A33-K37 WeakPolarHBondContact O-CG 3.23Å; A33-K37 PolarHBondContact O-N 3.28Å
34	L	62.9	Low	61.6	Low	37 Å²	37	89.9 Å²	89.9	19%	0.194	48%	0.479	C	S	.	.	H	α-helix	trans	-74.3	-39.8	177.6	-166.4	72	0	0	0	111.9	N30 L31 E32 K37 L38 L55	N30-L34 WeakPolarHBondContact O-CB 3.48Å; N30-L34 PolarHBondContact O-N 3.44Å; L31-L34 WeakPolarHBondContact O-CB 3.41Å; L31-L34 PolarHBondContact O-N 3.47Å; E32-L34 PolarHBondContact O-N 3.21Å; L34-K37 WeakPolarHBondContact O-CB 3.49Å; L34-K37 PolarHBondContact O-N 3.5Å; L34-L38 WeakPolarHBondContact O-CD1 3.34Å; L34-L38 VanDerWaalsContact O-CG 3.32Å; L34-L38 WeakPolarHBondContact O-CG 3.36Å; L34-L38 PolarHBondContact O-N 3.1Å; L34-L55 HydrophobicContact CD1-CD1 4Å; L34-L55 HydrophobicContact CD1-CD2 4.22Å; L34-L55 HydrophobicContact CD2-CB 3.83Å; L34-L55 HydrophobicContact CD2-CD1 3.49Å; L34-L55 VanDerWaalsContact CD2-CD1 3.49Å; L34-L55 HydrophobicContact CD2-CD2 3.97Å; L34-L55 HydrophobicContact CD2-CG 3.92Å; L34-L55 HydrophobicContact CG-CD1 3.69Å
35	Q	66.4	Low	64.1	Low	87 Å²	87	90.6 Å²	90.6	41%	0.407	48%	0.475	S	S	.	.	H	α-helix	trans	-60.2	-45.3	171.2	-84.3	172.4	-31.8	0	0	111.4	L31 E32 K37 L38 E39	L31-Q35 PolarHBondContact O-N 3.49Å; E32-Q35 PolarHBondContact O-N 2.98Å; Q35-K37 VanDerWaalsContact C-N 3.31Å; Q35-K37 PolarHBondContact O-N 2.67Å; Q35-L38 WeakPolarHBondContact O-CB 3.36Å; Q35-L38 PolarHBondContact O-N 2.99Å; Q35-L38 VanDerWaalsContact O-N 3.08Å; Q35-E39 WeakPolarHBondContact O-CG 3.36Å; Q35-E39 PolarHBondContact O-N 2.99Å
36	K	69.9	Low	67	Low	140 Å²	140	93.1 Å²	93.1	61%	0.609	48%	0.476	S	S	*	.	H	α-helix	trans	-61.5	-38.9	174.8	-168.7	177.4	-180	179.8	0	112.5	E32 L38 E39 E40	E32-K36 WeakPolarHBondContact O-CB 3.42Å; E32-K36 PolarHBondContact O-N 3.39Å; K36-L38 VanDerWaalsContact C-N 3.33Å; K36-E39 PolarHBondContact O-N 3.18Å; K36-E40 PolarHBondContact O-N 3.45Å
37	K	68.9	Low	69.6	Low	114 Å²	114	91.5 Å²	91.5	50%	0.496	46%	0.456	S	S	.	.	H	α-helix	trans	-65.9	-33.9	173.6	-80.3	-176.9	177.8	-174	0	112.7	A33 L34 Q35	A33-K37 WeakPolarHBondContact O-CG 3.23Å; A33-K37 PolarHBondContact O-N 3.28Å; L34-K37 WeakPolarHBondContact O-CB 3.49Å; L34-K37 PolarHBondContact O-N 3.5Å; Q35-K37 VanDerWaalsContact C-N 3.31Å; Q35-K37 PolarHBondContact O-N 2.67Å
38	L	69.4	Low	71.7	Confident	11 Å²	11	93 Å²	93	6%	0.058	45%	0.452	C	S	.	.	H	α-helix	trans	-69.2	-37.5	176	-77.2	157.8	0	0	0	111.8	L34 Q35 K36 E40 L41 L43 L51 E52 L55	L34-L38 WeakPolarHBondContact O-CD1 3.34Å; L34-L38 VanDerWaalsContact O-CG 3.32Å; L34-L38 WeakPolarHBondContact O-CG 3.36Å; L34-L38 PolarHBondContact O-N 3.1Å; Q35-L38 WeakPolarHBondContact O-CB 3.36Å; Q35-L38 PolarHBondContact O-N 2.99Å; Q35-L38 VanDerWaalsContact O-N 3.08Å; K36-L38 VanDerWaalsContact C-N 3.33Å; L38-E40 VanDerWaalsContact C-N 3.29Å; L38-E40 PolarHBondContact O-N 3.38Å; L38-L41 PolarHBondContact O-N 3.25Å; L38-L43 HydrophobicContact CD2-CD1 4.09Å; L38-L51 HydrophobicContact CD2-CB 4.05Å; L38-L51 HydrophobicContact CD2-CD2 3.33Å; L38-L51 HydrophobicContact CD2-CG 3.68Å; L38-E52 HydrophobicContact CD1-CG 3.84Å; L38-L55 HydrophobicContact CD1-CD1 4.04Å
39	E	70.3	Confident	74.1	Confident	154 Å²	154	91.7 Å²	91.7	72%	0.72	44%	0.444	S	S	*	.	H	α-helix	trans	-66.5	-27.7	176.4	-71.9	173.6	177.3	0	0	113.2	Q35 K36 L41	Q35-E39 WeakPolarHBondContact O-CG 3.36Å; Q35-E39 PolarHBondContact O-N 2.99Å; K36-E39 PolarHBondContact O-N 3.18Å; E39-L41 PolarHBondContact O-N 3.48Å
40	E	75.1	Confident	76.3	Confident	116 Å²	116	90.3 Å²	90.3	54%	0.542	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-11.2	174.3	-71.5	-176.3	-169.5	0	0	114	K36 L38 K184	K36-E40 PolarHBondContact O-N 3.45Å; L38-E40 VanDerWaalsContact C-N 3.29Å; L38-E40 PolarHBondContact O-N 3.38Å; E40-K184 IonicContact OE2-NZ 2.76Å; E40-K184 PolarHBondContact OE2-NZ 3.46Å
41	L	74.6	Confident	77.7	Confident	33 Å²	33	85.7 Å²	85.7	17%	0.173	40%	0.404	C	S	.	.	S	Bend	trans	-93.8	130.9	176.3	-62	174.2	0	0	0	108.1	L38 E39 L43 Y180	L38-L41 PolarHBondContact O-N 3.25Å; E39-L41 PolarHBondContact O-N 3.48Å; L41-L43 HydrophobicContact CB-CD1 3.82Å; L41-L43 HydrophobicContact CB-CD2 3.93Å; L41-L43 HydrophobicContact CB-CG 3.51Å; L41-L43 HydrophobicContact CD1-CD1 4.07Å; L41-L43 HydrophobicContact CD1-CG 4.5Å; L41-L43 PolarHBondContact O-N 2.79Å; L41-Y180 HydrophobicContact CD1-CE2 4.46Å; L41-Y180 HydrophobicContact CD2-CD2 3.94Å; L41-Y180 HydrophobicContact CD2-CE2 3.92Å
42	E	81.6	Confident	79.3	Confident	206 Å²	206	84.9 Å²	84.9	96%	0.963	40%	0.399	S	S	*	.			trans	-72.1	68.6	173.6	-64	-179.8	172.4	0	0	110.2
43	L	84.6	Confident	80.6	Confident	38 Å²	38	80.6 Å²	80.6	20%	0.199	39%	0.387	C	S	.	.			trans	-97	142.8	-177.3	-57.5	179.3	0	0	0	111	L38 L41 Q47 R48 L51 P125	L38-L43 HydrophobicContact CD2-CD1 4.09Å; L41-L43 HydrophobicContact CB-CD1 3.82Å; L41-L43 HydrophobicContact CB-CD2 3.93Å; L41-L43 HydrophobicContact CB-CG 3.51Å; L41-L43 HydrophobicContact CD1-CD1 4.07Å; L41-L43 HydrophobicContact CD1-CG 4.5Å; L41-L43 PolarHBondContact O-N 2.79Å; L43-Q47 HydrophobicContact CB-CB 4.21Å; L43-Q47 HydrophobicContact CD2-CB 4.38Å; L43-R48 HydrophobicContact CB-CB 4.48Å; L43-L51 HydrophobicContact CD1-CD2 4.22Å; L43-P125 HydrophobicContact CD2-CG 3.54Å
44	D	88.6	Confident	81.9	Confident	78 Å²	78	79.1 Å²	79.1	42%	0.417	37%	0.372	S	S	.	.			trans	-71.6	165.8	162.9	69.4	60.3	0	0	0	111.4	Q46 Q47 R48	D44-Q46 VanDerWaalsContact C-N 3.26Å; D44-Q46 PolarHBondContact O-N 3.42Å; D44-Q46 WeakPolarHBondContact OD1-CA 3.47Å; D44-Q46 WeakPolarHBondContact OD1-CB 3.16Å; D44-Q46 PolarHBondContact OD1-N 2.88Å; D44-Q47 PolarHBondContact O-N 2.89Å; D44-Q47 WeakPolarHBondContact OD1-CG 3.36Å; D44-Q47 PolarHBondContact OD1-N 3.49Å; D44-Q47 VanDerWaalsContact OD2-CG 3.23Å; D44-Q47 WeakPolarHBondContact OD2-CG 3.49Å; D44-Q47 PolarHBondContact OD2-NE2 2.9Å; D44-Q47 PolarHBondContact OD2-OE1 3.12Å; D44-R48 WeakPolarHBondContact O-CB 3.5Å; D44-R48 PolarHBondContact O-N 2.84Å
45	E	87.7	Confident	83.2	Confident	119 Å²	119	77.9 Å²	77.9	56%	0.556	37%	0.365	S	S	*	.	H	α-helix	trans	-62	-34.4	-176.5	-165.6	-171	164.7	0	0	112.5	K49	E45-K49 WeakPolarHBondContact O-CB 3.38Å; E45-K49 WeakPolarHBondContact O-CG 3.32Å; E45-K49 PolarHBondContact O-N 3Å; E45-K49 WeakPolarHBondContact OE1-CE 3.42Å; E45-K49 IonicContact OE1-NZ 2.7Å; E45-K49 PolarHBondContact OE1-NZ 3.09Å
46	Q	88.9	Confident	84.4	Confident	96 Å²	96	76.9 Å²	76.9	45%	0.449	37%	0.365	S	S	.	.	H	α-helix	trans	-72.5	-42.6	-179	-167.2	-179.4	22.2	0	0	110.9	D44 K49 R50	D44-Q46 VanDerWaalsContact C-N 3.26Å; D44-Q46 PolarHBondContact O-N 3.42Å; D44-Q46 WeakPolarHBondContact OD1-CA 3.47Å; D44-Q46 WeakPolarHBondContact OD1-CB 3.16Å; D44-Q46 PolarHBondContact OD1-N 2.88Å; Q46-K49 PolarHBondContact O-N 3.16Å; Q46-R50 VanDerWaalsContact O-CG 3.3Å; Q46-R50 WeakPolarHBondContact O-CG 3.43Å; Q46-R50 PolarHBondContact O-N 2.61Å
47	Q	92	Very high	85.5	Confident	35 Å²	35	74.1 Å²	74.1	16%	0.164	35%	0.354	C	S	.	.	H	α-helix	trans	-59.9	-46.5	173.4	-74	178.4	-9	0	0	111.1	L43 D44 R50 L51 P125 Y126	L43-Q47 HydrophobicContact CB-CB 4.21Å; L43-Q47 HydrophobicContact CD2-CB 4.38Å; D44-Q47 PolarHBondContact O-N 2.89Å; D44-Q47 WeakPolarHBondContact OD1-CG 3.36Å; D44-Q47 PolarHBondContact OD1-N 3.49Å; D44-Q47 VanDerWaalsContact OD2-CG 3.23Å; D44-Q47 WeakPolarHBondContact OD2-CG 3.49Å; D44-Q47 PolarHBondContact OD2-NE2 2.9Å; D44-Q47 PolarHBondContact OD2-OE1 3.12Å; Q47-R50 PolarHBondContact O-N 3.3Å; Q47-L51 WeakPolarHBondContact O-CB 3.4Å; Q47-L51 PolarHBondContact O-N 3.02Å; Q47-P125 HydrophobicContact CB-CB 4.25Å; Q47-P125 HydrophobicContact CB-CG 4.5Å; Q47-P125 HydrophobicContact CG-CB 4.06Å; Q47-P125 HydrophobicContact CG-CG 4.42Å; Q47-Y126 PolarHBondContact NE2-OH 3.4Å
48	R	88.9	Confident	86.6	Confident	97 Å²	97	70 Å²	70	37%	0.366	34%	0.336	S	S	.	.	H	α-helix	trans	-58.9	-49.9	177.3	-171.4	178.2	64.9	97.6	-8.4	111.5	L43 D44 R50 L51 E52	L43-R48 HydrophobicContact CB-CB 4.48Å; D44-R48 WeakPolarHBondContact O-CB 3.5Å; D44-R48 PolarHBondContact O-N 2.84Å; R48-R50 VanDerWaalsContact C-N 3.35Å; R48-R50 PolarHBondContact O-N 3.45Å; R48-L51 PolarHBondContact O-N 3.16Å; R48-E52 HydrophobicContact CG-CG 4.48Å; R48-E52 WeakPolarHBondContact CG-OE1 3.46Å; R48-E52 IonicContact CZ-OE1 3.17Å; R48-E52 IonicContact NH1-OE1 3.28Å; R48-E52 PolarHBondContact NH1-OE1 2.82Å; R48-E52 IonicContact NH1-OE2 3.25Å; R48-E52 WeakPolarHBondContact O-CB 3.16Å; R48-E52 WeakPolarHBondContact O-CG 3.22Å; R48-E52 PolarHBondContact O-N 3.44Å
49	K	91.3	Very high	87.5	Confident	112 Å²	112	74.3 Å²	74.3	49%	0.487	36%	0.356	S	S	.	.	H	α-helix	trans	-58.8	-42.8	177.4	-77.5	176.6	-177	166.3	0	112.7	E45 Q46 A53	E45-K49 WeakPolarHBondContact O-CB 3.38Å; E45-K49 WeakPolarHBondContact O-CG 3.32Å; E45-K49 PolarHBondContact O-N 3Å; E45-K49 WeakPolarHBondContact OE1-CE 3.42Å; E45-K49 IonicContact OE1-NZ 2.7Å; E45-K49 PolarHBondContact OE1-NZ 3.09Å; Q46-K49 PolarHBondContact O-N 3.16Å; K49-A53 WeakPolarHBondContact O-CB 3.49Å; K49-A53 PolarHBondContact O-N 3.14Å
50	R	92.3	Very high	88.3	Confident	58 Å²	58	74.1 Å²	74.1	22%	0.219	35%	0.353	C	S	.	.	H	α-helix	trans	-64.5	-43.2	178.3	-73.7	174.3	-175.6	-172.3	1.5	111.4	Q46 Q47 R48 A53 F54 R202 E204	Q46-R50 VanDerWaalsContact O-CG 3.3Å; Q46-R50 WeakPolarHBondContact O-CG 3.43Å; Q46-R50 PolarHBondContact O-N 2.61Å; Q47-R50 PolarHBondContact O-N 3.3Å; R48-R50 VanDerWaalsContact C-N 3.35Å; R48-R50 PolarHBondContact O-N 3.45Å; R50-A53 PolarHBondContact O-N 3.23Å; R50-F54 PolarHBondContact O-N 3.19Å; R50-R202 PolarHBondContact NH1-O 3.42Å; R50-R202 PolarHBondContact NH2-O 3.09Å; R50-E204 IonicContact NH1-OE2 3.72Å
51	L	90.6	Very high	89.1	Confident	12 Å²	12	69.4 Å²	69.4	6%	0.063	33%	0.332	C	S	.	.	H	α-helix	trans	-69.3	-42.3	-179.7	-168	53.4	0	0	0	111.5	L38 L43 Q47 R48 A53 F54 L55 N123	L38-L51 HydrophobicContact CD2-CB 4.05Å; L38-L51 HydrophobicContact CD2-CD2 3.33Å; L38-L51 HydrophobicContact CD2-CG 3.68Å; L43-L51 HydrophobicContact CD1-CD2 4.22Å; Q47-L51 WeakPolarHBondContact O-CB 3.4Å; Q47-L51 PolarHBondContact O-N 3.02Å; R48-L51 PolarHBondContact O-N 3.16Å; L51-A53 PolarHBondContact O-N 3.43Å; L51-F54 PolarHBondContact O-N 2.95Å; L51-L55 HydrophobicContact CG-CD1 4.18Å; L51-L55 WeakPolarHBondContact O-CD1 3.44Å; L51-L55 VanDerWaalsContact O-CG 3.22Å; L51-L55 WeakPolarHBondContact O-CG 3.26Å; L51-L55 PolarHBondContact O-N 3Å; L51-N123 HydrophobicContact CD1-CB 4.25Å
52	E	90.3	Very high	89.8	Confident	52 Å²	52	70.5 Å²	70.5	24%	0.243	35%	0.351	C	S	.	.	H	α-helix	trans	-57.2	-47.2	171.5	-74.8	172.3	-174.5	0	0	111.4	L38 R48 F54 L55 T56	L38-E52 HydrophobicContact CD1-CG 3.84Å; R48-E52 HydrophobicContact CG-CG 4.48Å; R48-E52 WeakPolarHBondContact CG-OE1 3.46Å; R48-E52 IonicContact CZ-OE1 3.17Å; R48-E52 IonicContact NH1-OE1 3.28Å; R48-E52 PolarHBondContact NH1-OE1 2.82Å; R48-E52 IonicContact NH1-OE2 3.25Å; R48-E52 WeakPolarHBondContact O-CB 3.16Å; R48-E52 WeakPolarHBondContact O-CG 3.22Å; R48-E52 PolarHBondContact O-N 3.44Å; E52-F54 PolarHBondContact O-N 3.24Å; E52-L55 PolarHBondContact O-N 3.4Å; E52-T56 PolarHBondContact O-N 2.71Å; E52-T56 PolarHBondContact O-OG1 3.39Å; E52-T56 VanDerWaalsContact O-OG1 3.1Å
53	A	92.2	Very high	90.4	Very high	50 Å²	50	68 Å²	68	41%	0.413	34%	0.34	S	S	.	.	H	α-helix	trans	-60.2	-43	177.8	0	0	0	0	0	112.5	K49 R50 L51 T56 Q57	K49-A53 WeakPolarHBondContact O-CB 3.49Å; K49-A53 PolarHBondContact O-N 3.14Å; R50-A53 PolarHBondContact O-N 3.23Å; L51-A53 PolarHBondContact O-N 3.43Å; A53-T56 PolarHBondContact O-N 3.44Å; A53-Q57 WeakPolarHBondContact O-CG 3.46Å; A53-Q57 PolarHBondContact O-N 3Å
54	F	93.8	Very high	90.9	Very high	16 Å²	16	67 Å²	67	7%	0.07	33%	0.334	C	S	.	.	H	α-helix	trans	-60.3	-45.2	174.9	173.1	-98.3	0	0	0	111.5	R50 L51 E52 Q57 K58 G129 Y131 E145	R50-F54 PolarHBondContact O-N 3.19Å; L51-F54 PolarHBondContact O-N 2.95Å; E52-F54 PolarHBondContact O-N 3.24Å; F54-Q57 WeakPolarHBondContact O-CB 3.14Å; F54-Q57 PolarHBondContact O-N 2.97Å; F54-K58 HydrophobicContact CE1-CD 4.04Å; F54-K58 HydrophobicContact CZ-CD 4.39Å; F54-K58 WeakPolarHBondContact O-CB 3.36Å; F54-K58 PolarHBondContact O-N 3.3Å; F54-G129 VanDerWaalsContact CZ-C 3.45Å; F54-Y131 HydrophobicContact CD2-CE1 4.45Å; F54-Y131 HydrophobicContact CE2-CD1 4.39Å; F54-Y131 AromaticContact CE2-CE1 3.72Å; F54-Y131 HydrophobicContact CE2-CE1 3.72Å; F54-Y131 AromaticContact CE2-CE2 3.97Å; F54-Y131 HydrophobicContact CE2-CE2 3.97Å; F54-Y131 AromaticContact CE2-CZ 3.48Å; F54-Y131 VanDerWaalsContact CE2-CZ 3.48Å; F54-Y131 HydrophobicContact CZ-CD1 4.37Å; F54-Y131 HydrophobicContact CZ-CE1 4.09Å; F54-E145 HydrophobicContact CD2-CB 4.48Å; F54-E145 HydrophobicContact CE2-CB 3.97Å
55	L	90.8	Very high	91.2	Very high	11 Å²	11	68.8 Å²	68.8	6%	0.058	34%	0.338	C	S	.	.	H	α-helix	trans	-66	-39.9	-179.2	-69.4	164.9	0	0	0	112.2	L34 L38 L51 E52 Q57 K58 Q59 N123	L34-L55 HydrophobicContact CD1-CD1 4Å; L34-L55 HydrophobicContact CD1-CD2 4.22Å; L34-L55 HydrophobicContact CD2-CB 3.83Å; L34-L55 HydrophobicContact CD2-CD1 3.49Å; L34-L55 VanDerWaalsContact CD2-CD1 3.49Å; L34-L55 HydrophobicContact CD2-CD2 3.97Å; L34-L55 HydrophobicContact CD2-CG 3.92Å; L34-L55 HydrophobicContact CG-CD1 3.69Å; L38-L55 HydrophobicContact CD1-CD1 4.04Å; L51-L55 HydrophobicContact CG-CD1 4.18Å; L51-L55 WeakPolarHBondContact O-CD1 3.44Å; L51-L55 VanDerWaalsContact O-CG 3.22Å; L51-L55 WeakPolarHBondContact O-CG 3.26Å; L51-L55 PolarHBondContact O-N 3Å; E52-L55 PolarHBondContact O-N 3.4Å; L55-Q57 VanDerWaalsContact C-N 3.34Å; L55-Q57 PolarHBondContact O-N 3.18Å; L55-K58 WeakPolarHBondContact O-CB 3.3Å; L55-K58 PolarHBondContact O-N 3.48Å; L55-Q59 WeakPolarHBondContact O-CG 3.41Å; L55-Q59 PolarHBondContact O-N 3.27Å; L55-N123 HydrophobicContact CD2-CB 4.47Å; L55-N123 WeakPolarHBondContact CD2-OD1 3.36Å
56	T	91.3	Very high	91.5	Very high	67 Å²	67	65.8 Å²	65.8	41%	0.411	33%	0.326	S	S	.	.	H	α-helix	trans	-62.6	-40.2	172.3	-57.2	0	0	0	0	111.9	E52 A53 Q59	E52-T56 PolarHBondContact O-N 2.71Å; E52-T56 PolarHBondContact O-OG1 3.39Å; E52-T56 VanDerWaalsContact O-OG1 3.1Å; A53-T56 PolarHBondContact O-N 3.44Å; T56-Q59 PolarHBondContact O-N 3.31Å
57	Q	91.6	Very high	91.9	Very high	81 Å²	81	68 Å²	68	38%	0.379	34%	0.341	S	S	.	.	H	α-helix	trans	-65.2	-42.1	174.3	-73.3	176.8	-7.1	0	0	111.6	A53 F54 L55 Q59 K60 L93	A53-Q57 WeakPolarHBondContact O-CG 3.46Å; A53-Q57 PolarHBondContact O-N 3Å; F54-Q57 WeakPolarHBondContact O-CB 3.14Å; F54-Q57 PolarHBondContact O-N 2.97Å; L55-Q57 VanDerWaalsContact C-N 3.34Å; L55-Q57 PolarHBondContact O-N 3.18Å; Q57-Q59 VanDerWaalsContact C-N 3.31Å; Q57-Q59 PolarHBondContact O-N 2.99Å; Q57-K60 WeakPolarHBondContact O-CB 3.3Å; Q57-K60 PolarHBondContact O-N 3.41Å; Q57-K60 VanDerWaalsContact O-N 3.07Å; Q57-L93 HydrophobicContact CB-CD1 4.19Å; Q57-L93 HydrophobicContact CB-CD2 4.29Å; Q57-L93 HydrophobicContact CG-CD2 4.25Å
58	K	92.5	Very high	92.1	Very high	27 Å²	27	68.2 Å²	68.2	12%	0.117	34%	0.343	C	S	.	.	H	α-helix	trans	-60.7	-36.6	177.8	179.8	174.7	174.3	171.9	0	112.5	F54 L55 K60 V61 H120 F130 Y131	F54-K58 HydrophobicContact CE1-CD 4.04Å; F54-K58 HydrophobicContact CZ-CD 4.39Å; F54-K58 WeakPolarHBondContact O-CB 3.36Å; F54-K58 PolarHBondContact O-N 3.3Å; L55-K58 WeakPolarHBondContact O-CB 3.3Å; L55-K58 PolarHBondContact O-N 3.48Å; K58-K60 PolarHBondContact O-N 3.3Å; K58-V61 VanDerWaalsContact O-CB 3.3Å; K58-V61 WeakPolarHBondContact O-CB 3.49Å; K58-V61 PolarHBondContact O-N 3.03Å; K58-H120 WeakPolarHBondContact CE-ND1 3.36Å; K58-H120 PolarHBondContact NZ-ND1 2.85Å; K58-H120 PolarHBondContact NZ-O 3.03Å; K58-F130 WeakPolarHBondContact CD-O 3.5Å; K58-F130 WeakPolarHBondContact CE-O 3.45Å; K58-F130 PolarHBondContact NZ-O 2.82Å; K58-Y131 HydrophobicContact CB-CD1 4.1Å; K58-Y131 HydrophobicContact CB-CE1 4.13Å; K58-Y131 HydrophobicContact CG-CD1 4.17Å
59	Q	88.5	Confident	92.5	Very high	102 Å²	102	64.4 Å²	64.4	48%	0.477	33%	0.33	S	S	.	.	H	α-helix	trans	-63.8	-25	175	-73.9	175.8	-18.3	0	0	113.8	L31 L55 T56 Q57 V61	L31-Q59 VanDerWaalsContact CD1-NE2 3.33Å; L55-Q59 WeakPolarHBondContact O-CG 3.41Å; L55-Q59 PolarHBondContact O-N 3.27Å; T56-Q59 PolarHBondContact O-N 3.31Å; Q57-Q59 VanDerWaalsContact C-N 3.31Å; Q57-Q59 PolarHBondContact O-N 2.99Å; Q59-V61 VanDerWaalsContact C-N 3.25Å
60	K	87.9	Confident	92.8	Very high	151 Å²	151	63.6 Å²	63.6	66%	0.657	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-14.3	173.9	-58.2	176.1	-177.9	-179.4	0	112.3	Q57 K58 G62	Q57-K60 WeakPolarHBondContact O-CB 3.3Å; Q57-K60 PolarHBondContact O-N 3.41Å; Q57-K60 VanDerWaalsContact O-N 3.07Å; K58-K60 PolarHBondContact O-N 3.3Å; K60-G62 PolarHBondContact O-N 2.91Å
61	V	91.5	Very high	93.1	Very high	17 Å²	17	67 Å²	67	10%	0.103	34%	0.344	C	S	.	.			trans	-85.3	107.6	175.8	-175	0	0	0	0	107.3	K58 Q59 L64 L93 M95 Y131	K58-V61 VanDerWaalsContact O-CB 3.3Å; K58-V61 WeakPolarHBondContact O-CB 3.49Å; K58-V61 PolarHBondContact O-N 3.03Å; Q59-V61 VanDerWaalsContact C-N 3.25Å; V61-L64 HydrophobicContact CG1-CD2 3.37Å; V61-L64 HydrophobicContact CG1-CG 4.14Å; V61-L93 HydrophobicContact CG2-CD1 3.51Å; V61-M95 HydrophobicContact CG1-CE 4.13Å; V61-M95 HydrophobicContact CG2-CE 3.78Å; V61-Y131 HydrophobicContact CG2-CD1 3.86Å; V61-Y131 HydrophobicContact CG2-CE1 4.15Å
62	G	90.2	Very high	93.4	Very high	55 Å²	55	70.5 Å²	70.5	57%	0.567	36%	0.362	S	S	*	.			trans	-74.3	-152.4	172.8	0	0	0	0	0	112.2	K60 L64	K60-G62 PolarHBondContact O-N 2.91Å; G62-L64 PolarHBondContact O-N 2.88Å
63	E	92.8	Very high	93.7	Very high	154 Å²	154	70.7 Å²	70.7	72%	0.72	37%	0.368	S	S	*	.	S	Bend	trans	-62.7	131.3	170.6	-173.2	-178.2	-156.5	0	0	110.3	K65	E63-K65 WeakPolarHBondContact OE2-CE 3.49Å; E63-K65 IonicContact OE2-NZ 3.59Å
64	L	95.1	Very high	94	Very high	17 Å²	17	73.7 Å²	73.7	9%	0.089	37%	0.374	C	S	.	.			trans	-87	130.8	179.7	-64.1	178.6	0	0	0	110.9	V61 G62 F69 F134 C143	V61-L64 HydrophobicContact CG1-CD2 3.37Å; V61-L64 HydrophobicContact CG1-CG 4.14Å; G62-L64 PolarHBondContact O-N 2.88Å; L64-F69 HydrophobicContact CB-CE2 4.37Å; L64-F69 HydrophobicContact CB-CZ 4.4Å; L64-F69 HydrophobicContact CD1-CZ 4.35Å; L64-F69 HydrophobicContact CD2-CE2 4.43Å; L64-F69 HydrophobicContact CD2-CZ 3.78Å; L64-F69 HydrophobicContact CG-CZ 4.4Å; L64-F134 HydrophobicContact CB-CD1 3.7Å; L64-F134 HydrophobicContact CB-CE1 3.9Å; L64-F134 HydrophobicContact CD1-CD1 4.45Å; L64-C143 HydrophobicContact CD1-CB 3.8Å
65	K	94.4	Very high	94	Very high	115 Å²	115	75.7 Å²	75.7	50%	0.5	39%	0.385	S	S	.	.			trans	-127.7	157.2	173.9	-57.6	176	-177	174.5	0	110.4	E63 D67 D68 F69	E63-K65 WeakPolarHBondContact OE2-CE 3.49Å; E63-K65 IonicContact OE2-NZ 3.59Å; K65-D67 PolarHBondContact O-N 2.91Å; K65-D68 WeakPolarHBondContact CB-OD2 3.39Å; K65-D68 PolarHBondContact N-OD2 3.03Å; K65-D68 WeakPolarHBondContact O-CB 3.5Å; K65-D68 PolarHBondContact O-N 3.35Å; K65-F69 WeakPolarHBondContact O-CD2 3.36Å; K65-F69 VanDerWaalsContact O-CE2 3.26Å; K65-F69 WeakPolarHBondContact O-CE2 3.45Å
66	D	95.8	Very high	93.9	Very high	56 Å²	56	76.5 Å²	76.5	30%	0.299	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-60.5	-45.9	-176.3	-171.9	53.8	0	0	0	112.6	D68 F69 R97 F134	D66-D68 PolarHBondContact O-N 2.85Å; D66-D68 VanDerWaalsContact O-N 3.09Å; D66-F69 PolarHBondContact O-N 3.04Å; D66-F69 VanDerWaalsContact O-N 3.14Å; D66-R97 IonicContact OD1-CZ 2.71Å; D66-R97 IonicContact OD1-NH1 3.78Å; D66-R97 PolarHBondContact OD1-NH1 3.45Å; D66-R97 IonicContact OD1-NH2 2.82Å; D66-R97 PolarHBondContact OD1-NH2 3.03Å; D66-F134 HydrophobicContact CB-CE2 4.16Å
67	D	95.9	Very high	93.6	Very high	142 Å²	142	76.6 Å²	76.6	76%	0.759	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-62	-19.4	-178.3	-63	-33.9	0	0	0	114.1	K65 F69	K65-D67 PolarHBondContact O-N 2.91Å; D67-F69 PolarHBondContact O-N 2.77Å
68	D	96.1	Very high	92.8	Very high	40 Å²	40	75.2 Å²	75.2	21%	0.214	41%	0.411	C	S	.	.	G	3₁₀ helix	trans	-75.5	-10.2	-179.7	-66.5	-37.8	0	0	0	112.7	K65 D66 R89 P90	K65-D68 WeakPolarHBondContact CB-OD2 3.39Å; K65-D68 PolarHBondContact N-OD2 3.03Å; K65-D68 WeakPolarHBondContact O-CB 3.5Å; K65-D68 PolarHBondContact O-N 3.35Å; D66-D68 PolarHBondContact O-N 2.85Å; D66-D68 VanDerWaalsContact O-N 3.09Å; D68-R89 WeakPolarHBondContact O-CG 3.29Å; D68-R89 PolarHBondContact O-N 3.26Å; D68-P90 HydrophobicContact CB-CG 4Å
69	F	97.8	Very high	91.6	Very high	18 Å²	18	77.4 Å²	77.4	8%	0.079	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	133.5	-174.9	-66.2	-77	0	0	0	113.1	L64 K65 D66 D67 V86 S87 H88 M95 F134 C143	L64-F69 HydrophobicContact CB-CE2 4.37Å; L64-F69 HydrophobicContact CB-CZ 4.4Å; L64-F69 HydrophobicContact CD1-CZ 4.35Å; L64-F69 HydrophobicContact CD2-CE2 4.43Å; L64-F69 HydrophobicContact CD2-CZ 3.78Å; L64-F69 HydrophobicContact CG-CZ 4.4Å; K65-F69 WeakPolarHBondContact O-CD2 3.36Å; K65-F69 VanDerWaalsContact O-CE2 3.26Å; K65-F69 WeakPolarHBondContact O-CE2 3.45Å; D66-F69 PolarHBondContact O-N 3.04Å; D66-F69 VanDerWaalsContact O-N 3.14Å; D67-F69 PolarHBondContact O-N 2.77Å; F69-V86 HydrophobicContact CB-CB 4.44Å; F69-V86 HydrophobicContact CD1-CB 4.08Å; F69-V86 HydrophobicContact CD1-CG2 3.52Å; F69-V86 HydrophobicContact CE1-CG2 4Å; F69-V86 HydrophobicContact CG-CG2 4.41Å; F69-S87 WeakPolarHBondContact CA-O 3.44Å; F69-H88 HydrophobicContact CD1-CB 4.14Å; F69-H88 HydrophobicContact CE1-CB 3.87Å; F69-H88 AromaticContact CE1-CD2 3.71Å; F69-H88 AromaticContact CZ-CD2 3.81Å; F69-M95 HydrophobicContact CE1-SD 3.96Å; F69-F134 HydrophobicContact CD2-CZ 4.19Å; F69-F134 AromaticContact CE2-CE1 3.65Å; F69-F134 HydrophobicContact CE2-CE1 3.65Å; F69-F134 AromaticContact CE2-CZ 3.75Å; F69-F134 HydrophobicContact CE2-CZ 3.75Å; F69-F134 HydrophobicContact CZ-CE1 4.3Å; F69-C143 VanDerWaalsContact CZ-SG 3.5Å
70	E	97.9	Very high	90.8	Very high	94 Å²	94	73.2 Å²	73.2	44%	0.439	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	123.6	164.6	-165.8	171.8	162.5	0	0	110.2	V86 S87 R89	E70-V86 CarbonylContact O-C 3.55Å; E70-V86 WeakPolarHBondContact O-CA 3.29Å; E70-V86 WeakPolarHBondContact O-CB 3.37Å; E70-S87 PolarHBondContact N-O 2.86Å; E70-S87 PolarHBondContact O-N 2.8Å; E70-R89 IonicContact OE2-CZ 2.86Å; E70-R89 IonicContact OE2-NH1 3.82Å; E70-R89 PolarHBondContact OE2-NH1 3.3Å; E70-R89 IonicContact OE2-NH2 2.75Å
71	K	97.7	Very high	90.7	Very high	130 Å²	130	67 Å²	67	57%	0.565	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	127	176.7	-167.7	-179	-169.1	175.6	0	110.5	F84	K71-F84 HydrophobicContact CD-CD1 4.24Å; K71-F84 HydrophobicContact CD-CG 4.36Å; K71-F84 VanDerWaalsContact CE-CZ 3.43Å; K71-F84 HydrophobicContact CG-CB 4.31Å; K71-F84 HydrophobicContact CG-CD1 4.32Å; K71-F84 HydrophobicContact CG-CG 4.27Å
72	I	98	Very high	90.7	Very high	85 Å²	85	68.4 Å²	68.4	44%	0.436	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	-62	179.2	-59.9	168.7	0	0	0	110.3	K85 I94	I72-K85 HydrophobicContact CB-CB 4.36Å; I72-K85 HydrophobicContact CB-CG 4.34Å; I72-K85 WeakPolarHBondContact CB-O 3.47Å; I72-K85 HydrophobicContact CD1-CG 4.17Å; I72-K85 HydrophobicContact CG2-CD 4.34Å; I72-K85 PolarHBondContact N-O 3.25Å; I72-I94 HydrophobicContact CD1-CD1 3.71Å
73	C	96.7	Very high	91	Very high	56 Å²	56	67.2 Å²	67.2	38%	0.378	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	164.6	179.3	63	0	0	0	0	111.5	F84 K85	C73-F84 CarbonylContact O-C 3.47Å; C73-F84 WeakPolarHBondContact O-CA 3.4Å; C73-K85 PolarHBondContact N-O 3.48Å; C73-K85 PolarHBondContact O-N 2.95Å
74	E	96.9	Very high	91.2	Very high	114 Å²	114	61 Å²	61	53%	0.533	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	132.4	170	-166.6	173	133.9	0	0	110.6	V82 F84	E74-V82 HydrophobicContact CG-CG1 3.88Å; E74-F84 HydrophobicContact CB-CD1 3.81Å; E74-F84 HydrophobicContact CB-CE1 3.74Å; E74-F84 HydrophobicContact CG-CD1 3.97Å; E74-F84 HydrophobicContact CG-CE1 3.66Å
75	L	94.1	Very high	91.4	Very high	58 Å²	58	62.9 Å²	62.9	30%	0.304	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-30.8	176.1	-65.5	175.6	0	0	0	111.5	V83 K85 A96 Q154	L75-V83 HydrophobicContact CB-CB 4.4Å; L75-V83 HydrophobicContact CB-CG1 4.29Å; L75-V83 HydrophobicContact CD1-CG1 4.17Å; L75-V83 PolarHBondContact N-O 3.49Å; L75-K85 HydrophobicContact CD1-CB 4.03Å; L75-K85 HydrophobicContact CD2-CB 3.99Å; L75-K85 HydrophobicContact CG-CB 3.94Å; L75-A96 HydrophobicContact CD1-CB 3.87Å; L75-Q154 PolarHBondContact O-NE2 3.24Å
76	G	88.9	Confident	91.6	Very high	28 Å²	28	57.6 Å²	57.6	29%	0.289	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	170.6	163	173.8	0	0	0	0	0	112.6	V83	G76-V83 PolarHBondContact N-O 2.95Å; G76-V83 PolarHBondContact O-N 2.86Å
77	A	86.4	Confident	91.7	Very high	69 Å²	69	56.2 Å²	56.2	57%	0.57	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128	142.9	174.6	0	0	0	0	0	109.6	V82	A77-V82 HydrophobicContact CB-CG1 4.22Å; A77-V82 HydrophobicContact CB-CG2 4.01Å
78	G	74.5	Confident	91.8	Very high	51 Å²	51	49.6 Å²	49.6	53%	0.526	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	-169.9	177.5	0	0	0	0	0	112.7	G80 G81	G78-G80 PolarHBondContact O-N 3.34Å; G78-G81 PolarHBondContact N-O 2.94Å; G78-G81 PolarHBondContact O-N 3.2Å
79	N	66.3	Low	91.8	Very high	73 Å²	73	54.2 Å²	54.2	39%	0.39	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-26.4	-176.8	-61.3	-18.5	0	0	0	113.3	F224 T227	N79-F224 HydrophobicContact CB-CB 4.11Å; N79-F224 HydrophobicContact CB-CD1 4.09Å; N79-F224 HydrophobicContact CB-CD2 4.08Å; N79-F224 HydrophobicContact CB-CG 3.81Å; N79-F224 WeakPolarHBondContact O-CE2 3.22Å; N79-F224 VanDerWaalsContact O-CZ 3.26Å; N79-F224 WeakPolarHBondContact O-CZ 3.22Å; N79-T227 PolarHBondContact ND2-OG1 3.26Å; N79-T227 VanDerWaalsContact ND2-OG1 3.08Å
80	G	71.3	Confident	91.8	Very high	15 Å²	15	57.7 Å²	57.7	16%	0.155	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	13.7	-179.5	0	0	0	0	0	114.7	G78 K98 I100	G78-G80 PolarHBondContact O-N 3.34Å; G80-K98 WeakPolarHBondContact O-CE 3.44Å; G80-I100 VanDerWaalsContact O-CG1 3.28Å; G80-I100 WeakPolarHBondContact O-CG1 3.5Å
81	G	85.8	Confident	91.7	Very high	21 Å²	21	55 Å²	55	22%	0.216	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	109.8	-166.7	-177.7	0	0	0	0	0	114.1	G78 L99	G78-G81 PolarHBondContact N-O 2.94Å; G78-G81 PolarHBondContact O-N 3.2Å; G81-L99 VanDerWaalsContact CA-O 3.24Å; G81-L99 WeakPolarHBondContact CA-O 3.43Å
82	V	92.4	Very high	91.5	Very high	45 Å²	45	51.3 Å²	51.3	27%	0.273	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	140.8	-177.7	-171.1	0	0	0	0	110.2	E74 A77 F84 K98 L99	E74-V82 HydrophobicContact CG-CG1 3.88Å; A77-V82 HydrophobicContact CB-CG1 4.22Å; A77-V82 HydrophobicContact CB-CG2 4.01Å; V82-F84 HydrophobicContact CB-CE2 4.07Å; V82-F84 HydrophobicContact CB-CZ 4.04Å; V82-F84 HydrophobicContact CG1-CD1 4.45Å; V82-F84 HydrophobicContact CG1-CD2 4.44Å; V82-F84 HydrophobicContact CG1-CE1 3.71Å; V82-F84 HydrophobicContact CG1-CE2 3.72Å; V82-F84 HydrophobicContact CG1-CZ 3.28Å; V82-K98 CarbonylContact O-C 3.51Å; V82-K98 WeakPolarHBondContact O-CA 3.45Å; V82-L99 PolarHBondContact N-O 3.42Å; V82-L99 VanDerWaalsContact N-O 3.08Å; V82-L99 PolarHBondContact O-N 2.97Å
83	V	96.1	Very high	91.5	Very high	30 Å²	30	48.5 Å²	48.5	18%	0.182	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125.1	179.3	-168.7	0	0	0	0	109.6	L75 G76 A96 R97 K98	L75-V83 HydrophobicContact CB-CB 4.4Å; L75-V83 HydrophobicContact CB-CG1 4.29Å; L75-V83 HydrophobicContact CD1-CG1 4.17Å; L75-V83 PolarHBondContact N-O 3.49Å; G76-V83 PolarHBondContact N-O 2.95Å; G76-V83 PolarHBondContact O-N 2.86Å; V83-A96 HydrophobicContact CG1-CB 4.12Å; V83-R97 CarbonylContact C-O 3.59Å; V83-R97 WeakPolarHBondContact CA-O 3.47Å; V83-K98 HydrophobicContact CG2-CB 4.01Å; V83-K98 HydrophobicContact CG2-CD 4.18Å; V83-K98 HydrophobicContact CG2-CG 3.94Å
84	F	97.6	Very high	91.5	Very high	23 Å²	23	49 Å²	49	10%	0.101	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	144.1	174.8	-60.4	-68.7	0	0	0	111.4	K71 C73 E74 V82 V86 A96 R97 L99	K71-F84 HydrophobicContact CD-CD1 4.24Å; K71-F84 HydrophobicContact CD-CG 4.36Å; K71-F84 VanDerWaalsContact CE-CZ 3.43Å; K71-F84 HydrophobicContact CG-CB 4.31Å; K71-F84 HydrophobicContact CG-CD1 4.32Å; K71-F84 HydrophobicContact CG-CG 4.27Å; C73-F84 CarbonylContact O-C 3.47Å; C73-F84 WeakPolarHBondContact O-CA 3.4Å; E74-F84 HydrophobicContact CB-CD1 3.81Å; E74-F84 HydrophobicContact CB-CE1 3.74Å; E74-F84 HydrophobicContact CG-CD1 3.97Å; E74-F84 HydrophobicContact CG-CE1 3.66Å; V82-F84 HydrophobicContact CB-CE2 4.07Å; V82-F84 HydrophobicContact CB-CZ 4.04Å; V82-F84 HydrophobicContact CG1-CD1 4.45Å; V82-F84 HydrophobicContact CG1-CD2 4.44Å; V82-F84 HydrophobicContact CG1-CE1 3.71Å; V82-F84 HydrophobicContact CG1-CE2 3.72Å; V82-F84 HydrophobicContact CG1-CZ 3.28Å; F84-V86 HydrophobicContact CB-CG1 3.98Å; F84-A96 CarbonylContact O-C 3.54Å; F84-A96 WeakPolarHBondContact O-CA 3.23Å; F84-R97 PolarHBondContact N-O 2.98Å; F84-R97 PolarHBondContact O-N 2.97Å; F84-L99 HydrophobicContact CD2-CD1 3.54Å; F84-L99 HydrophobicContact CE2-CD1 4.01Å; F84-L99 HydrophobicContact CE2-CD2 4.43Å
85	K	98.3	Very high	91.6	Very high	57 Å²	57	43.6 Å²	43.6	25%	0.248	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	125.9	159.6	-170.6	178.4	-175	171.6	0	107.6	I72 C73 L75 I94 H146	I72-K85 HydrophobicContact CB-CB 4.36Å; I72-K85 HydrophobicContact CB-CG 4.34Å; I72-K85 WeakPolarHBondContact CB-O 3.47Å; I72-K85 HydrophobicContact CD1-CG 4.17Å; I72-K85 HydrophobicContact CG2-CD 4.34Å; I72-K85 PolarHBondContact N-O 3.25Å; C73-K85 PolarHBondContact N-O 3.48Å; C73-K85 PolarHBondContact O-N 2.95Å; L75-K85 HydrophobicContact CD1-CB 4.03Å; L75-K85 HydrophobicContact CD2-CB 3.99Å; L75-K85 HydrophobicContact CG-CB 3.94Å; K85-I94 HydrophobicContact CD-CG2 4.32Å; K85-I94 VanDerWaalsContact CE-CG2 3.45Å; K85-I94 HydrophobicContact CG-CG2 3.88Å; K85-H146 WeakPolarHBondContact CD-NE2 3.1Å; K85-H146 WeakPolarHBondContact CE-NE2 3.47Å
86	V	98.3	Very high	91.8	Very high	5 Å²	5	41.1 Å²	41.1	3%	0.03	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	151.4	-177.6	-58.7	0	0	0	0	111	F69 E70 F84 I94 M95 R97	F69-V86 HydrophobicContact CB-CB 4.44Å; F69-V86 HydrophobicContact CD1-CB 4.08Å; F69-V86 HydrophobicContact CD1-CG2 3.52Å; F69-V86 HydrophobicContact CE1-CG2 4Å; F69-V86 HydrophobicContact CG-CG2 4.41Å; E70-V86 CarbonylContact O-C 3.55Å; E70-V86 WeakPolarHBondContact O-CA 3.29Å; E70-V86 WeakPolarHBondContact O-CB 3.37Å; F84-V86 HydrophobicContact CB-CG1 3.98Å; V86-I94 WeakPolarHBondContact O-CA 3.44Å; V86-M95 HydrophobicContact CG2-CB 3.97Å; V86-M95 PolarHBondContact N-O 2.98Å; V86-M95 PolarHBondContact O-N 2.93Å; V86-R97 HydrophobicContact CG1-CB 3.95Å; V86-R97 HydrophobicContact CG2-CB 3.73Å
87	S	98.1	Very high	92.2	Very high	26 Å²	26	40.5 Å²	40.5	18%	0.182	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	125.8	165.1	-174.8	0	0	0	0	109.1	F69 E70 R89	F69-S87 WeakPolarHBondContact CA-O 3.44Å; E70-S87 PolarHBondContact N-O 2.86Å; E70-S87 PolarHBondContact O-N 2.8Å; S87-R89 PolarHBondContact O-N 2.85Å
88	H	98	Very high	92.6	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.019	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	104.8	172	-179.5	-113.5	0	0	0	108.9	F69 S91 G92 L93 M95	F69-H88 HydrophobicContact CD1-CB 4.14Å; F69-H88 HydrophobicContact CE1-CB 3.87Å; F69-H88 AromaticContact CE1-CD2 3.71Å; F69-H88 AromaticContact CZ-CD2 3.81Å; H88-S91 PolarHBondContact ND1-OG 2.99Å; H88-S91 PolarHBondContact O-N 2.96Å; H88-G92 WeakPolarHBondContact O-CA 3.34Å; H88-G92 PolarHBondContact O-N 3.41Å; H88-L93 PolarHBondContact N-O 3.22Å; H88-M95 HydrophobicContact CB-CE 3.84Å; H88-M95 HydrophobicContact CB-SD 4.27Å
89	R	96.8	Very high	93.5	Very high	137 Å²	137	37.1 Å²	37.1	52%	0.517	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-44.5	-170.7	-56.8	173.6	-162.8	-72.1	-4.8	113.4	D68 E70 S87 S91	D68-R89 WeakPolarHBondContact O-CG 3.29Å; D68-R89 PolarHBondContact O-N 3.26Å; E70-R89 IonicContact OE2-CZ 2.86Å; E70-R89 IonicContact OE2-NH1 3.82Å; E70-R89 PolarHBondContact OE2-NH1 3.3Å; E70-R89 IonicContact OE2-NH2 2.75Å; S87-R89 PolarHBondContact O-N 2.85Å; R89-S91 VanDerWaalsContact C-N 3.34Å; R89-S91 PolarHBondContact O-N 3.4Å
90	P	96.9	Very high	94.6	Very high	91 Å²	91	34 Å²	34	59%	0.591	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-34.8	-176.8	-24.1	34.8	0	0	0	114.2	D68	D68-P90 HydrophobicContact CB-CG 4Å
91	S	96.1	Very high	95.4	Very high	36 Å²	36	38.5 Å²	38.5	25%	0.252	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-12.3	-177.9	70.6	0	0	0	0	114.2	H88 R89 L93	H88-S91 PolarHBondContact ND1-OG 2.99Å; H88-S91 PolarHBondContact O-N 2.96Å; R89-S91 VanDerWaalsContact C-N 3.34Å; R89-S91 PolarHBondContact O-N 3.4Å; S91-L93 PolarHBondContact O-N 3.45Å; S91-L93 WeakPolarHBondContact OG-CB 3.35Å; S91-L93 WeakPolarHBondContact OG-CG 3.44Å; S91-L93 PolarHBondContact OG-N 2.92Å
92	G	95	Very high	95.1	Very high	53 Å²	53	38.5 Å²	38.5	55%	0.546	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	7.2	-173.5	0	0	0	0	0	114.5	H88	H88-G92 WeakPolarHBondContact O-CA 3.34Å; H88-G92 PolarHBondContact O-N 3.41Å
93	L	96.5	Very high	94.5	Very high	26 Å²	26	45.2 Å²	45.2	14%	0.136	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	143.5	-177.4	-66.8	175.4	0	0	0	111.6	Q57 V61 H88 S91 M95 Y131	Q57-L93 HydrophobicContact CB-CD1 4.19Å; Q57-L93 HydrophobicContact CB-CD2 4.29Å; Q57-L93 HydrophobicContact CG-CD2 4.25Å; V61-L93 HydrophobicContact CG2-CD1 3.51Å; H88-L93 PolarHBondContact N-O 3.22Å; S91-L93 PolarHBondContact O-N 3.45Å; S91-L93 WeakPolarHBondContact OG-CB 3.35Å; S91-L93 WeakPolarHBondContact OG-CG 3.44Å; S91-L93 PolarHBondContact OG-N 2.92Å; L93-M95 HydrophobicContact CB-CE 3.98Å; L93-M95 HydrophobicContact CD1-CE 4.09Å; L93-Y131 HydrophobicContact CD1-CE1 3.94Å
94	I	97.7	Very high	93.7	Very high	67 Å²	67	45.5 Å²	45.5	34%	0.344	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	128.8	168	-57.9	-56.8	0	0	0	108.8	I72 K85 V86 H146	I72-I94 HydrophobicContact CD1-CD1 3.71Å; K85-I94 HydrophobicContact CD-CG2 4.32Å; K85-I94 VanDerWaalsContact CE-CG2 3.45Å; K85-I94 HydrophobicContact CG-CG2 3.88Å; V86-I94 WeakPolarHBondContact O-CA 3.44Å; I94-H146 HydrophobicContact CG2-CB 4.07Å
95	M	98.1	Very high	93.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	158.7	-179	-56.8	-176.3	-175.5	0	0	110.6	V61 F69 V86 H88 L93 Y131 C143 M144	V61-M95 HydrophobicContact CG1-CE 4.13Å; V61-M95 HydrophobicContact CG2-CE 3.78Å; F69-M95 HydrophobicContact CE1-SD 3.96Å; V86-M95 HydrophobicContact CG2-CB 3.97Å; V86-M95 PolarHBondContact N-O 2.98Å; V86-M95 PolarHBondContact O-N 2.93Å; H88-M95 HydrophobicContact CB-CE 3.84Å; H88-M95 HydrophobicContact CB-SD 4.27Å; L93-M95 HydrophobicContact CB-CE 3.98Å; L93-M95 HydrophobicContact CD1-CE 4.09Å; M95-Y131 HydrophobicContact CB-CD2 4.47Å; M95-Y131 HydrophobicContact CE-CD1 4.12Å; M95-Y131 HydrophobicContact CE-CD2 3.82Å; M95-Y131 HydrophobicContact CE-CE1 4.44Å; M95-Y131 HydrophobicContact CE-CE2 4.14Å; M95-Y131 HydrophobicContact CE-CG 3.81Å; M95-Y131 HydrophobicContact CG-CD2 3.72Å; M95-Y131 HydrophobicContact CG-CE2 3.78Å; M95-Y131 HydrophobicContact SD-CD2 3.61Å; M95-Y131 HydrophobicContact SD-CE2 4.21Å; M95-Y131 HydrophobicContact SD-CG 3.98Å; M95-C143 HydrophobicContact SD-CB 4.01Å; M95-M144 WeakPolarHBondContact CA-O 3.28Å
96	A	98	Very high	92.6	Very high	7 Å²	7	52.8 Å²	52.8	6%	0.058	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	124	158.9	0	0	0	0	0	108.1	L75 V83 F84 C143 M144	L75-A96 HydrophobicContact CD1-CB 3.87Å; V83-A96 HydrophobicContact CG1-CB 4.12Å; F84-A96 CarbonylContact O-C 3.54Å; F84-A96 WeakPolarHBondContact O-CA 3.23Å; A96-C143 WeakPolarHBondContact O-CA 3.1Å; A96-M144 HydrophobicContact CB-CG 3.72Å; A96-M144 PolarHBondContact N-O 3.23Å; A96-M144 WeakPolarHBondContact O-CG 3.12Å; A96-M144 PolarHBondContact O-N 2.69Å
97	R	97.3	Very high	92.1	Very high	15 Å²	15	56.1 Å²	56.1	6%	0.057	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	115	178.5	-176.5	-179.9	171.6	-170.1	-5.9	108.8	D66 V83 F84 V86 L99 S141 I142	D66-R97 IonicContact OD1-CZ 2.71Å; D66-R97 IonicContact OD1-NH1 3.78Å; D66-R97 PolarHBondContact OD1-NH1 3.45Å; D66-R97 IonicContact OD1-NH2 2.82Å; D66-R97 PolarHBondContact OD1-NH2 3.03Å; V83-R97 CarbonylContact C-O 3.59Å; V83-R97 WeakPolarHBondContact CA-O 3.47Å; F84-R97 PolarHBondContact N-O 2.98Å; F84-R97 PolarHBondContact O-N 2.97Å; V86-R97 HydrophobicContact CG1-CB 3.95Å; V86-R97 HydrophobicContact CG2-CB 3.73Å; R97-L99 HydrophobicContact CB-CD1 4.43Å; R97-L99 HydrophobicContact CG-CD1 3.86Å; R97-L99 WeakPolarHBondContact O-CD1 3.4Å; R97-S141 PolarHBondContact NE-OG 2.76Å; R97-S141 VanDerWaalsContact NE-OG 3.11Å; R97-S141 PolarHBondContact NH2-OG 2.81Å; R97-I142 WeakPolarHBondContact CA-O 3.09Å
98	K	94.9	Very high	91.5	Very high	20 Å²	20	57.5 Å²	57.5	9%	0.087	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	125.2	174.7	-178.5	169.6	-178.1	177.1	0	109.7	G80 V82 V83 I100 S141 I142 M144 D209	G80-K98 WeakPolarHBondContact O-CE 3.44Å; V82-K98 CarbonylContact O-C 3.51Å; V82-K98 WeakPolarHBondContact O-CA 3.45Å; V83-K98 HydrophobicContact CG2-CB 4.01Å; V83-K98 HydrophobicContact CG2-CD 4.18Å; V83-K98 HydrophobicContact CG2-CG 3.94Å; K98-I100 HydrophobicContact CG-CG1 4.17Å; K98-S141 CarbonylContact O-C 3.59Å; K98-S141 WeakPolarHBondContact O-CA 3.41Å; K98-I142 HydrophobicContact CB-CB 4.38Å; K98-I142 PolarHBondContact N-O 2.62Å; K98-I142 PolarHBondContact O-N 2.8Å; K98-M144 HydrophobicContact CB-CE 3.93Å; K98-D209 IonicContact NZ-OD1 3.11Å; K98-D209 PolarHBondContact NZ-OD1 2.7Å; K98-D209 IonicContact NZ-OD2 3.06Å; K98-D209 PolarHBondContact NZ-OD2 3.11Å
99	L	93.4	Very high	91	Very high	29 Å²	29	59.9 Å²	59.9	15%	0.152	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	119.9	-179.5	-63.9	76	0	0	0	107.8	G81 V82 F84 R97 E139 I140	G81-L99 VanDerWaalsContact CA-O 3.24Å; G81-L99 WeakPolarHBondContact CA-O 3.43Å; V82-L99 PolarHBondContact N-O 3.42Å; V82-L99 VanDerWaalsContact N-O 3.08Å; V82-L99 PolarHBondContact O-N 2.97Å; F84-L99 HydrophobicContact CD2-CD1 3.54Å; F84-L99 HydrophobicContact CE2-CD1 4.01Å; F84-L99 HydrophobicContact CE2-CD2 4.43Å; R97-L99 HydrophobicContact CB-CD1 4.43Å; R97-L99 HydrophobicContact CG-CD1 3.86Å; R97-L99 WeakPolarHBondContact O-CD1 3.4Å; L99-E139 VanDerWaalsContact CD2-OE2 3.3Å; L99-E139 WeakPolarHBondContact CD2-OE2 3.39Å; L99-I140 WeakPolarHBondContact CA-O 3.33Å
100	I	90.1	Very high	90.5	Very high	7 Å²	7	57 Å²	57	4%	0.036	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	108.9	-179.6	-40.9	-170.7	0	0	0	107.9	G80 K98 L102 E139 I140 I142 L216	G80-I100 VanDerWaalsContact O-CG1 3.28Å; G80-I100 WeakPolarHBondContact O-CG1 3.5Å; K98-I100 HydrophobicContact CG-CG1 4.17Å; I100-L102 HydrophobicContact CG2-CD1 3.93Å; I100-L102 HydrophobicContact CG2-CG 3.94Å; I100-L102 PolarHBondContact O-N 3.37Å; I100-E139 WeakPolarHBondContact O-CA 3.48Å; I100-I140 HydrophobicContact CB-CB 4.42Å; I100-I140 PolarHBondContact N-O 2.86Å; I100-I140 PolarHBondContact O-N 2.89Å; I100-I142 HydrophobicContact CD1-CD1 3.97Å; I100-L216 HydrophobicContact CD1-CD1 4.43Å; I100-L216 HydrophobicContact CD1-CD2 4.33Å
101	H	87.4	Confident	90.1	Very high	110 Å²	110	55.8 Å²	55.8	51%	0.509	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	118.2	175.5	-170.6	81.6	0	0	0	109.9	E139	H101-E139 HydrophobicContact CB-CG 4.45Å; H101-E139 IonicContact ND1-OE1 3.87Å
102	L	79.6	Confident	89.7	Confident	20 Å²	20	54 Å²	54	11%	0.105	29%	0.289	C	S	.	.			trans	-141.2	114	-178.9	-73.5	170.6	0	0	0	110.6	I100 I104 G138 I140 L216	I100-L102 HydrophobicContact CG2-CD1 3.93Å; I100-L102 HydrophobicContact CG2-CG 3.94Å; I100-L102 PolarHBondContact O-N 3.37Å; L102-I104 VanDerWaalsContact C-N 3.34Å; L102-I104 HydrophobicContact CB-CD1 4.3Å; L102-I104 HydrophobicContact CB-CG1 4.11Å; L102-I104 HydrophobicContact CB-CG2 4.29Å; L102-I104 HydrophobicContact CD1-CD1 4.49Å; L102-I104 PolarHBondContact O-N 3.35Å; L102-G138 PolarHBondContact N-O 3.07Å; L102-I140 HydrophobicContact CD1-CD1 4.03Å; L102-L216 HydrophobicContact CD1-CD1 3.5Å
103	E	79.4	Confident	89.3	Confident	186 Å²	186	53.2 Å²	53.2	87%	0.869	27%	0.272	S	S	*	.			trans	-80	81.9	169.1	-66.5	-170.6	168.8	0	0	110.2
104	I	79.3	Confident	88.9	Confident	36 Å²	36	58.8 Å²	58.8	19%	0.185	29%	0.291	C	S	.	.			trans	-125.6	153.3	-178.4	56.2	170.5	0	0	0	112.3	L102 I108 R109 I112	L102-I104 VanDerWaalsContact C-N 3.34Å; L102-I104 HydrophobicContact CB-CD1 4.3Å; L102-I104 HydrophobicContact CB-CG1 4.11Å; L102-I104 HydrophobicContact CB-CG2 4.29Å; L102-I104 HydrophobicContact CD1-CD1 4.49Å; L102-I104 PolarHBondContact O-N 3.35Å; I104-I108 HydrophobicContact CD1-CB 4.48Å; I104-I108 HydrophobicContact CD1-CG2 4.12Å; I104-R109 HydrophobicContact CD1-CB 3.92Å; I104-R109 HydrophobicContact CG1-CB 4.14Å; I104-I112 HydrophobicContact CD1-CD1 3.52Å
105	K	86.5	Confident	88.4	Confident	158 Å²	158	58 Å²	58	69%	0.687	29%	0.286	S	S	*	.			trans	-59.3	142.8	178.4	-65.9	179.1	-177.9	174.8	0	110.4	A107 I108 R109	K105-A107 PolarHBondContact O-N 3.33Å; K105-I108 HydrophobicContact CB-CD1 4.49Å; K105-I108 PolarHBondContact O-N 2.92Å; K105-R109 PolarHBondContact O-N 2.99Å; K105-R109 VanDerWaalsContact O-N 3.09Å
106	P	86.9	Confident	87.9	Confident	76 Å²	76	58.2 Å²	58.2	49%	0.494	29%	0.287	S	S	.	.	H	α-helix	trans	-51.1	-34.6	-179.5	-31	36	0	0	0	114.9	N110	P106-N110 WeakPolarHBondContact O-CB 3.49Å; P106-N110 PolarHBondContact O-N 3.23Å; P106-N110 PolarHBondContact O-OD1 3.5Å
107	A	88.1	Confident	87.2	Confident	74 Å²	74	63.3 Å²	63.3	61%	0.612	31%	0.31	S	S	*	.	H	α-helix	trans	-63.8	-44.7	177.7	0	0	0	0	0	113	K105 Q111	K105-A107 PolarHBondContact O-N 3.33Å; A107-Q111 PolarHBondContact O-N 2.92Å; A107-Q111 VanDerWaalsContact O-N 3.1Å
108	I	86.2	Confident	86.7	Confident	55 Å²	55	65.2 Å²	65.2	28%	0.282	32%	0.323	S	S	.	.	H	α-helix	trans	-68.6	-43.9	178.6	-58.9	175.3	0	0	0	109.3	I104 K105 N110 Q111 I112 Q215	I104-I108 HydrophobicContact CD1-CB 4.48Å; I104-I108 HydrophobicContact CD1-CG2 4.12Å; K105-I108 HydrophobicContact CB-CD1 4.49Å; K105-I108 PolarHBondContact O-N 2.92Å; I108-N110 PolarHBondContact O-N 2.75Å; I108-Q111 WeakPolarHBondContact O-CA 3.26Å; I108-Q111 WeakPolarHBondContact O-CB 3.45Å; I108-Q111 PolarHBondContact O-N 2.87Å; I108-Q111 VanDerWaalsContact O-N 3.1Å; I108-I112 HydrophobicContact CG2-CD1 4.16Å; I108-I112 WeakPolarHBondContact O-CG1 3.26Å; I108-I112 PolarHBondContact O-N 3.34Å; I108-Q215 HydrophobicContact CG2-CB 4.47Å
109	R	87	Confident	86.4	Confident	54 Å²	54	65.1 Å²	65.1	20%	0.204	32%	0.323	C	S	.	.	H	α-helix	trans	-54.8	-51.3	175.1	177.6	-173.6	66.8	-168.4	6.1	112.2	I104 K105 Q111 I112 I113 Y135	I104-R109 HydrophobicContact CD1-CB 3.92Å; I104-R109 HydrophobicContact CG1-CB 4.14Å; K105-R109 PolarHBondContact O-N 2.99Å; K105-R109 VanDerWaalsContact O-N 3.09Å; R109-Q111 PolarHBondContact O-N 2.85Å; R109-I112 PolarHBondContact O-N 3.06Å; R109-I112 VanDerWaalsContact O-N 3.15Å; R109-I113 WeakPolarHBondContact O-CG1 3.45Å; R109-I113 PolarHBondContact O-N 2.8Å; R109-Y135 VanDerWaalsContact CD-CE2 3.42Å; R109-Y135 VanDerWaalsContact CD-CG 3.42Å; R109-Y135 VanDerWaalsContact CD-CZ 3.48Å; R109-Y135 HydrophobicContact CG-CD2 3.91Å; R109-Y135 HydrophobicContact CG-CE2 4.18Å; R109-Y135 HydrophobicContact CG-CG 4.13Å; R109-Y135 PolarHBondContact NH1-OH 2.85Å
110	N	86.7	Confident	86.1	Confident	76 Å²	76	67.4 Å²	67.4	41%	0.406	33%	0.333	S	S	.	.	H	α-helix	trans	-64.8	-30.3	-180	-67	-2.3	0	0	0	111.5	P106 I108 R114	P106-N110 WeakPolarHBondContact O-CB 3.49Å; P106-N110 PolarHBondContact O-N 3.23Å; P106-N110 PolarHBondContact O-OD1 3.5Å; I108-N110 PolarHBondContact O-N 2.75Å; N110-R114 WeakPolarHBondContact O-CG 3.35Å; N110-R114 PolarHBondContact O-N 3.48Å; N110-R114 VanDerWaalsContact O-N 3.15Å
111	Q	88.6	Confident	86	Confident	66 Å²	66	72.1 Å²	72.1	31%	0.308	36%	0.355	S	S	.	.	H	α-helix	trans	-67.1	-46.1	171.6	179.2	174.1	-9	0	0	111.9	A107 I108 R109 I113 R114 E115 Q215	A107-Q111 PolarHBondContact O-N 2.92Å; A107-Q111 VanDerWaalsContact O-N 3.1Å; I108-Q111 WeakPolarHBondContact O-CA 3.26Å; I108-Q111 WeakPolarHBondContact O-CB 3.45Å; I108-Q111 PolarHBondContact O-N 2.87Å; I108-Q111 VanDerWaalsContact O-N 3.1Å; R109-Q111 PolarHBondContact O-N 2.85Å; Q111-I113 PolarHBondContact O-N 2.91Å; Q111-R114 PolarHBondContact O-N 3.35Å; Q111-E115 HydrophobicContact CG-CG 4.44Å; Q111-E115 VanDerWaalsContact CG-OE1 3.29Å; Q111-E115 WeakPolarHBondContact CG-OE1 3.23Å; Q111-E115 PolarHBondContact NE2-OE1 3.23Å; Q111-E115 WeakPolarHBondContact O-CG 3.11Å; Q111-E115 PolarHBondContact O-N 2.82Å; Q111-Q215 HydrophobicContact CG-CG 4.17Å
112	I	87.3	Confident	86.2	Confident	0 Å²	0	67 Å²	67	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-58.2	-48.6	176.2	-67.8	170.5	0	0	0	110.6	I104 I108 R109 R114 E115 L116 I140 Q215 L216	I104-I112 HydrophobicContact CD1-CD1 3.52Å; I108-I112 HydrophobicContact CG2-CD1 4.16Å; I108-I112 WeakPolarHBondContact O-CG1 3.26Å; I108-I112 PolarHBondContact O-N 3.34Å; R109-I112 PolarHBondContact O-N 3.06Å; R109-I112 VanDerWaalsContact O-N 3.15Å; I112-R114 VanDerWaalsContact C-N 3.3Å; I112-R114 PolarHBondContact O-N 3.11Å; I112-E115 PolarHBondContact O-N 2.76Å; I112-E115 VanDerWaalsContact O-N 3.15Å; I112-L116 HydrophobicContact CG2-CD1 3.89Å; I112-L116 HydrophobicContact CG2-CG 4.22Å; I112-L116 WeakPolarHBondContact O-CG 3.38Å; I112-L116 PolarHBondContact O-N 2.76Å; I112-I140 HydrophobicContact CB-CD1 4.32Å; I112-I140 HydrophobicContact CD1-CD1 4.29Å; I112-I140 HydrophobicContact CG2-CD1 3.73Å; I112-Q215 HydrophobicContact CD1-CB 4.41Å; I112-Q215 HydrophobicContact CG1-CB 3.78Å; I112-L216 HydrophobicContact CD1-CB 4.25Å; I112-L216 HydrophobicContact CD1-CD1 4.25Å; I112-L216 HydrophobicContact CG1-CB 4.28Å; I112-L216 HydrophobicContact CG2-CB 4.04Å; I112-L216 HydrophobicContact CG2-CD1 4.26Å; I112-L216 HydrophobicContact CG2-CD2 4.38Å; I112-L216 HydrophobicContact CG2-CG 4.46Å
113	I	87.1	Confident	86.8	Confident	35 Å²	35	66.9 Å²	66.9	18%	0.179	33%	0.331	C	S	.	.	H	α-helix	trans	-59.3	-41.2	179.2	-64.2	-64	0	0	0	111.3	R109 Q111 L116 Q117 I140	R109-I113 WeakPolarHBondContact O-CG1 3.45Å; R109-I113 PolarHBondContact O-N 2.8Å; Q111-I113 PolarHBondContact O-N 2.91Å; I113-L116 PolarHBondContact O-N 3.5Å; I113-Q117 PolarHBondContact O-N 2.97Å; I113-I140 HydrophobicContact CD1-CG2 4.03Å
114	R	86.4	Confident	87.6	Confident	143 Å²	143	58.3 Å²	58.3	54%	0.54	29%	0.291	S	S	.	.	H	α-helix	trans	-64.1	-44	174.3	-75.4	-172.4	-56.5	-101.2	1.1	112.5	N110 Q111 I112 L116 Q117	N110-R114 WeakPolarHBondContact O-CG 3.35Å; N110-R114 PolarHBondContact O-N 3.48Å; N110-R114 VanDerWaalsContact O-N 3.15Å; Q111-R114 PolarHBondContact O-N 3.35Å; I112-R114 VanDerWaalsContact C-N 3.3Å; I112-R114 PolarHBondContact O-N 3.11Å; R114-L116 VanDerWaalsContact C-N 3.3Å; R114-L116 PolarHBondContact O-N 3.12Å; R114-Q117 VanDerWaalsContact O-CB 3.29Å; R114-Q117 WeakPolarHBondContact O-CB 3.08Å; R114-Q117 PolarHBondContact O-N 3.35Å; R114-Q117 VanDerWaalsContact O-N 3.11Å
115	E	87.8	Confident	88.4	Confident	50 Å²	50	57.1 Å²	57.1	23%	0.234	29%	0.286	C	S	.	.	H	α-helix	trans	-63.7	-37.7	178	-72.6	173.8	-167.1	0	0	111.3	Q111 I112 Q117 V118 V212 S213 G214	Q111-E115 HydrophobicContact CG-CG 4.44Å; Q111-E115 VanDerWaalsContact CG-OE1 3.29Å; Q111-E115 WeakPolarHBondContact CG-OE1 3.23Å; Q111-E115 PolarHBondContact NE2-OE1 3.23Å; Q111-E115 WeakPolarHBondContact O-CG 3.11Å; Q111-E115 PolarHBondContact O-N 2.82Å; I112-E115 PolarHBondContact O-N 2.76Å; I112-E115 VanDerWaalsContact O-N 3.15Å; E115-Q117 PolarHBondContact O-N 3.23Å; E115-V118 WeakPolarHBondContact O-CB 3.08Å; E115-V118 WeakPolarHBondContact O-CG2 3.34Å; E115-V118 PolarHBondContact O-N 3.4Å; E115-V212 VanDerWaalsContact O-CG1 3.3Å; E115-V212 WeakPolarHBondContact O-CG1 3.33Å; E115-S213 WeakPolarHBondContact OE2-CA 3.38Å; E115-S213 WeakPolarHBondContact OE2-CB 3.46Å; E115-S213 PolarHBondContact OE2-OG 3.08Å; E115-G214 PolarHBondContact OE2-N 2.79Å
116	L	88.1	Confident	88.9	Confident	6 Å²	6	51.1 Å²	51.1	3%	0.031	26%	0.259	C	S	.	.	H	α-helix	trans	-64.5	-19.7	174.6	-70.5	173.7	0	0	0	113.2	I112 I113 R114 V118 L119 A133 I140 I142 L216	I112-L116 HydrophobicContact CG2-CD1 3.89Å; I112-L116 HydrophobicContact CG2-CG 4.22Å; I112-L116 WeakPolarHBondContact O-CG 3.38Å; I112-L116 PolarHBondContact O-N 2.76Å; I113-L116 PolarHBondContact O-N 3.5Å; R114-L116 VanDerWaalsContact C-N 3.3Å; R114-L116 PolarHBondContact O-N 3.12Å; L116-V118 PolarHBondContact O-N 3.41Å; L116-L119 HydrophobicContact CB-CD1 4.45Å; L116-L119 HydrophobicContact CD2-CD1 3.71Å; L116-L119 WeakPolarHBondContact O-CB 3.39Å; L116-L119 WeakPolarHBondContact O-CG 3.44Å; L116-L119 PolarHBondContact O-N 2.75Å; L116-A133 HydrophobicContact CB-CB 4.26Å; L116-A133 HydrophobicContact CD1-CB 4Å; L116-I140 HydrophobicContact CD1-CG2 4.08Å; L116-I142 HydrophobicContact CD1-CD1 4.16Å; L116-I142 HydrophobicContact CD1-CG1 4.28Å; L116-I142 HydrophobicContact CD2-CD1 4.24Å; L116-L216 HydrophobicContact CD2-CD2 4.4Å
117	Q	83.1	Confident	89.4	Confident	114 Å²	114	47.6 Å²	47.6	53%	0.533	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-62.8	-25.2	176.4	-68.3	177	-33.2	0	0	112.7	I113 R114 E115 L119 H120	I113-Q117 PolarHBondContact O-N 2.97Å; R114-Q117 VanDerWaalsContact O-CB 3.29Å; R114-Q117 WeakPolarHBondContact O-CB 3.08Å; R114-Q117 PolarHBondContact O-N 3.35Å; R114-Q117 VanDerWaalsContact O-N 3.11Å; E115-Q117 PolarHBondContact O-N 3.23Å; Q117-L119 PolarHBondContact O-N 2.93Å; Q117-L119 VanDerWaalsContact O-N 3.14Å; Q117-H120 WeakPolarHBondContact O-CB 3.49Å; Q117-H120 PolarHBondContact O-N 3.44Å
118	V	86.3	Confident	89.9	Confident	55 Å²	55	44.5 Å²	44.5	33%	0.333	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-58.5	-26.7	174.3	177.4	0	0	0	0	111.6	E115 L116 H120 E121 I187 V212	E115-V118 WeakPolarHBondContact O-CB 3.08Å; E115-V118 WeakPolarHBondContact O-CG2 3.34Å; E115-V118 PolarHBondContact O-N 3.4Å; L116-V118 PolarHBondContact O-N 3.41Å; V118-H120 PolarHBondContact O-N 2.9Å; V118-E121 PolarHBondContact O-N 3.08Å; V118-I187 HydrophobicContact CG1-CD1 4.02Å; V118-V212 HydrophobicContact CB-CG1 3.82Å; V118-V212 HydrophobicContact CG1-CG1 4.21Å
119	L	88.6	Confident	90.4	Very high	18 Å²	18	42.1 Å²	42.1	9%	0.094	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-62.1	-23.6	174	-66.2	171.2	0	0	0	112.9	L116 Q117 E121 C122 F130 F210 V212	L116-L119 HydrophobicContact CB-CD1 4.45Å; L116-L119 HydrophobicContact CD2-CD1 3.71Å; L116-L119 WeakPolarHBondContact O-CB 3.39Å; L116-L119 WeakPolarHBondContact O-CG 3.44Å; L116-L119 PolarHBondContact O-N 2.75Å; Q117-L119 PolarHBondContact O-N 2.93Å; Q117-L119 VanDerWaalsContact O-N 3.14Å; L119-E121 PolarHBondContact O-N 2.97Å; L119-C122 PolarHBondContact O-N 3.18Å; L119-F130 VanDerWaalsContact C-CD1 3.47Å; L119-F130 HydrophobicContact CB-CB 4.03Å; L119-F130 HydrophobicContact CB-CD1 3.44Å; L119-F130 VanDerWaalsContact CB-CD1 3.44Å; L119-F130 HydrophobicContact CB-CD2 3.91Å; L119-F130 HydrophobicContact CB-CE1 3.68Å; L119-F130 HydrophobicContact CB-CE2 4.16Å; L119-F130 HydrophobicContact CB-CG 3.52Å; L119-F130 HydrophobicContact CB-CZ 4.02Å; L119-F130 HydrophobicContact CD1-CD2 3.94Å; L119-F130 HydrophobicContact CD1-CE2 3.81Å; L119-F130 HydrophobicContact CD1-CG 4.43Å; L119-F130 HydrophobicContact CD1-CZ 4.14Å; L119-F210 HydrophobicContact CD2-CD2 4.36Å; L119-F210 HydrophobicContact CD2-CE1 4.04Å; L119-F210 HydrophobicContact CD2-CE2 3.41Å; L119-F210 VanDerWaalsContact CD2-CE2 3.41Å; L119-F210 HydrophobicContact CD2-CZ 3.2Å; L119-V212 HydrophobicContact CD2-CB 4.41Å; L119-V212 HydrophobicContact CD2-CG2 3.46Å; L119-V212 VanDerWaalsContact CD2-CG2 3.46Å; L119-V212 HydrophobicContact CG-CB 4.5Å; L119-V212 HydrophobicContact CG-CG2 4.03Å
120	H	87.6	Confident	90.8	Very high	77 Å²	77	39.9 Å²	39.9	36%	0.356	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-63.5	-28.1	174.3	-78.2	-79.4	0	0	0	112.5	K58 Q117 V118 N123 F130 Y131	K58-H120 WeakPolarHBondContact CE-ND1 3.36Å; K58-H120 PolarHBondContact NZ-ND1 2.85Å; K58-H120 PolarHBondContact NZ-O 3.03Å; Q117-H120 WeakPolarHBondContact O-CB 3.49Å; Q117-H120 PolarHBondContact O-N 3.44Å; V118-H120 PolarHBondContact O-N 2.9Å; H120-N123 PolarHBondContact O-ND2 3.05Å; H120-F130 HydrophobicContact CB-CD1 4.5Å; H120-F130 AromaticContact CD2-CE1 3.52Å; H120-F130 AromaticContact CE1-CE1 3.85Å; H120-F130 AromaticContact CG-CD1 3.91Å; H120-F130 AromaticContact CG-CE1 3.87Å; H120-F130 AromaticContact ND1-CD1 3.97Å; H120-F130 AromaticContact NE2-CE1 3.49Å; H120-F130 WeakPolarHBondContact NE2-CE1 3.42Å; H120-Y131 PolarHBondContact CE1-O 2.88Å
121	E	88.1	Confident	91.2	Very high	105 Å²	105	37 Å²	37	49%	0.491	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-88	-14.4	-179.3	-56.3	-170.7	-159.7	0	0	112.8	V118 L119 N123 Y180 H185	V118-E121 PolarHBondContact O-N 3.08Å; L119-E121 PolarHBondContact O-N 2.97Å; E121-N123 VanDerWaalsContact C-ND2 3.33Å; E121-N123 PolarHBondContact O-N 3.38Å; E121-N123 PolarHBondContact O-ND2 3.35Å; E121-Y180 PolarHBondContact O-OH 3.19Å; E121-H185 PolarHBondContact O-CE1 3.24Å; E121-H185 PolarHBondContact O-NE2 3.37Å
122	C	91.3	Very high	91.5	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.014	16%	0.162	C	C	.	.			trans	-79.2	85.3	178	-65.5	0	0	0	0	110.6	L119 I127 Y180 F210	L119-C122 PolarHBondContact O-N 3.18Å; C122-I127 HydrophobicContact CB-CG2 4.35Å; C122-Y180 HydrophobicContact CB-CE1 4.49Å; C122-F210 HydrophobicContact CB-CZ 4.08Å
123	N	92.8	Very high	91.9	Very high	19 Å²	19	35.3 Å²	35.3	10%	0.102	17%	0.172	C	C	.	.			trans	-122.1	106.5	179.5	-54.9	-77	0	0	0	109.2	L51 L55 H120 E121 Y180	L51-N123 HydrophobicContact CD1-CB 4.25Å; L55-N123 HydrophobicContact CD2-CB 4.47Å; L55-N123 WeakPolarHBondContact CD2-OD1 3.36Å; H120-N123 PolarHBondContact O-ND2 3.05Å; E121-N123 VanDerWaalsContact C-ND2 3.33Å; E121-N123 PolarHBondContact O-N 3.38Å; E121-N123 PolarHBondContact O-ND2 3.35Å; N123-Y180 PolarHBondContact N-OH 3.46Å; N123-Y180 PolarHBondContact O-OH 3.43Å; N123-Y180 VanDerWaalsContact O-OH 3.08Å
124	S	95	Very high	92.1	Very high	5 Å²	5	34.8 Å²	34.8	4%	0.035	17%	0.168	C	C	.	.			trans	-153.6	147.5	-178.2	166.4	0	0	0	0	108.9	Y126 I127	S124-Y126 PolarHBondContact O-N 2.76Å; S124-Y126 VanDerWaalsContact O-N 3.09Å; S124-Y126 PolarHBondContact OG-N 3.18Å; S124-I127 PolarHBondContact O-N 2.81Å; S124-I127 VanDerWaalsContact O-O 3.1Å
125	P	96.3	Very high	92.4	Very high	11 Å²	11	31.5 Å²	31.5	7%	0.071	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-12.8	175.5	30.7	-40.4	0	0	0	113.7	L43 Q47 K206	L43-P125 HydrophobicContact CD2-CG 3.54Å; Q47-P125 HydrophobicContact CB-CB 4.25Å; Q47-P125 HydrophobicContact CB-CG 4.5Å; Q47-P125 HydrophobicContact CG-CB 4.06Å; Q47-P125 HydrophobicContact CG-CG 4.42Å; P125-K206 VanDerWaalsContact O-CE 3.26Å; P125-K206 WeakPolarHBondContact O-CE 3.31Å; P125-K206 WeakPolarHBondContact O-CG 3.26Å
126	Y	97.7	Very high	92.6	Very high	33 Å²	33	30.4 Å²	30.4	13%	0.129	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	6.2	-179.9	-49.6	-70.9	0	0	0	113.3	Q47 S124 A173 K176 K206 L207	Q47-Y126 PolarHBondContact NE2-OH 3.4Å; S124-Y126 PolarHBondContact O-N 2.76Å; S124-Y126 VanDerWaalsContact O-N 3.09Å; S124-Y126 PolarHBondContact OG-N 3.18Å; Y126-A173 HydrophobicContact CD1-CB 3.82Å; Y126-A173 HydrophobicContact CE1-CB 4.26Å; Y126-K176 HydrophobicContact CD1-CB 4.32Å; Y126-K176 HydrophobicContact CD2-CB 3.43Å; Y126-K176 VanDerWaalsContact CD2-CB 3.43Å; Y126-K176 HydrophobicContact CD2-CD 4.35Å; Y126-K176 HydrophobicContact CD2-CG 4.47Å; Y126-K176 HydrophobicContact CE1-CB 4.35Å; Y126-K176 HydrophobicContact CE1-CD 4.1Å; Y126-K176 HydrophobicContact CE2-CB 3.49Å; Y126-K176 VanDerWaalsContact CE2-CB 3.49Å; Y126-K176 HydrophobicContact CE2-CD 3.51Å; Y126-K176 HydrophobicContact CE2-CG 4.07Å; Y126-K176 HydrophobicContact CG-CB 3.88Å; Y126-K176 VanDerWaalsContact OH-CD 3.24Å; Y126-K176 WeakPolarHBondContact OH-CD 3.45Å; Y126-K206 WeakPolarHBondContact O-CA 3.47Å; Y126-L207 PolarHBondContact O-N 2.79Å
127	I	97.6	Very high	92.5	Very high	2 Å²	2	37 Å²	37	1%	0.01	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-123.5	131.7	178.1	-57.6	-61.5	0	0	0	108.8	C122 S124 G129 Y180 L181 L207 F210	C122-I127 HydrophobicContact CB-CG2 4.35Å; S124-I127 PolarHBondContact O-N 2.81Å; S124-I127 VanDerWaalsContact O-O 3.1Å; I127-G129 PolarHBondContact O-N 2.91Å; I127-Y180 HydrophobicContact CD1-CD1 4.47Å; I127-Y180 HydrophobicContact CG1-CD1 3.73Å; I127-Y180 HydrophobicContact CG1-CE1 4.13Å; I127-L181 HydrophobicContact CD1-CD1 3.94Å; I127-L181 HydrophobicContact CD1-CD2 3.99Å; I127-L181 HydrophobicContact CD1-CG 3.79Å; I127-L181 HydrophobicContact CG1-CD2 4.47Å; I127-L207 HydrophobicContact CD1-CB 4.11Å; I127-F210 HydrophobicContact CG2-CE1 3.5Å; I127-F210 HydrophobicContact CG2-CZ 3.8Å
128	V	97.7	Very high	92.6	Very high	9 Å²	9	32.5 Å²	32.5	6%	0.055	17%	0.174	C	C	.	.			trans	-60.9	123.8	179.2	174.5	0	0	0	0	109.6	F130 M144 E145 M147 L198 K206 L207 C208	V128-F130 PolarHBondContact O-N 3.45Å; V128-M144 HydrophobicContact CG1-CB 3.98Å; V128-M144 HydrophobicContact CG1-CG 4.13Å; V128-M144 HydrophobicContact CG1-SD 4.23Å; V128-E145 WeakPolarHBondContact CA-OE1 3.36Å; V128-E145 HydrophobicContact CG1-CG 3.64Å; V128-M147 HydrophobicContact CG2-CG 4.33Å; V128-L198 HydrophobicContact CG2-CB 4.28Å; V128-L198 HydrophobicContact CG2-CD1 4.01Å; V128-L198 HydrophobicContact CG2-CG 4.35Å; V128-K206 HydrophobicContact CG2-CB 3.53Å; V128-L207 WeakPolarHBondContact CG2-O 3.32Å; V128-L207 PolarHBondContact N-O 3.23Å; V128-C208 HydrophobicContact CB-CB 4.14Å; V128-C208 HydrophobicContact CG2-CB 3.85Å
129	G	96.6	Very high	92.8	Very high	5 Å²	5	32.8 Å²	32.8	5%	0.052	17%	0.172	C	C	.	.			trans	-58.6	132.6	-178.2	0	0	0	0	0	112.3	F54 I127 M144 E145	F54-G129 VanDerWaalsContact CZ-C 3.45Å; I127-G129 PolarHBondContact O-N 2.91Å; G129-M144 CarbonylContact O-C 3.55Å; G129-M144 VanDerWaalsContact O-CA 3.26Å; G129-M144 WeakPolarHBondContact O-CA 3.48Å; G129-M144 WeakPolarHBondContact O-CB 3.2Å; G129-E145 PolarHBondContact N-OE1 3.04Å; G129-E145 PolarHBondContact O-N 2.97Å
130	F	96.3	Very high	93	Very high	7 Å²	7	32 Å²	32	3%	0.031	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	125.9	-178.4	178.5	-109.1	0	0	0	111.5	K58 L119 H120 V128 G132 A133 I142	K58-F130 WeakPolarHBondContact CD-O 3.5Å; K58-F130 WeakPolarHBondContact CE-O 3.45Å; K58-F130 PolarHBondContact NZ-O 2.82Å; L119-F130 VanDerWaalsContact C-CD1 3.47Å; L119-F130 HydrophobicContact CB-CB 4.03Å; L119-F130 HydrophobicContact CB-CD1 3.44Å; L119-F130 VanDerWaalsContact CB-CD1 3.44Å; L119-F130 HydrophobicContact CB-CD2 3.91Å; L119-F130 HydrophobicContact CB-CE1 3.68Å; L119-F130 HydrophobicContact CB-CE2 4.16Å; L119-F130 HydrophobicContact CB-CG 3.52Å; L119-F130 HydrophobicContact CB-CZ 4.02Å; L119-F130 HydrophobicContact CD1-CD2 3.94Å; L119-F130 HydrophobicContact CD1-CE2 3.81Å; L119-F130 HydrophobicContact CD1-CG 4.43Å; L119-F130 HydrophobicContact CD1-CZ 4.14Å; H120-F130 HydrophobicContact CB-CD1 4.5Å; H120-F130 AromaticContact CD2-CE1 3.52Å; H120-F130 AromaticContact CE1-CE1 3.85Å; H120-F130 AromaticContact CG-CD1 3.91Å; H120-F130 AromaticContact CG-CE1 3.87Å; H120-F130 AromaticContact ND1-CD1 3.97Å; H120-F130 AromaticContact NE2-CE1 3.49Å; H120-F130 WeakPolarHBondContact NE2-CE1 3.42Å; V128-F130 PolarHBondContact O-N 3.45Å; F130-G132 VanDerWaalsContact CE2-C 3.46Å; F130-G132 WeakPolarHBondContact CE2-O 3.33Å; F130-G132 VanDerWaalsContact CZ-CA 3.42Å; F130-A133 HydrophobicContact CE2-CB 4.13Å; F130-A133 HydrophobicContact CZ-CB 3.76Å; F130-I142 HydrophobicContact CD2-CG2 4.2Å; F130-I142 HydrophobicContact CE2-CG2 3.77Å
131	Y	96.1	Very high	93.3	Very high	15 Å²	15	28.3 Å²	28.3	6%	0.059	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-45.1	175.2	-72.5	-65.7	0	0	0	112.2	F54 K58 V61 L93 M95 H120 C143	F54-Y131 HydrophobicContact CD2-CE1 4.45Å; F54-Y131 HydrophobicContact CE2-CD1 4.39Å; F54-Y131 AromaticContact CE2-CE1 3.72Å; F54-Y131 HydrophobicContact CE2-CE1 3.72Å; F54-Y131 AromaticContact CE2-CE2 3.97Å; F54-Y131 HydrophobicContact CE2-CE2 3.97Å; F54-Y131 AromaticContact CE2-CZ 3.48Å; F54-Y131 VanDerWaalsContact CE2-CZ 3.48Å; F54-Y131 HydrophobicContact CZ-CD1 4.37Å; F54-Y131 HydrophobicContact CZ-CE1 4.09Å; K58-Y131 HydrophobicContact CB-CD1 4.1Å; K58-Y131 HydrophobicContact CB-CE1 4.13Å; K58-Y131 HydrophobicContact CG-CD1 4.17Å; V61-Y131 HydrophobicContact CG2-CD1 3.86Å; V61-Y131 HydrophobicContact CG2-CE1 4.15Å; L93-Y131 HydrophobicContact CD1-CE1 3.94Å; M95-Y131 HydrophobicContact CB-CD2 4.47Å; M95-Y131 HydrophobicContact CE-CD1 4.12Å; M95-Y131 HydrophobicContact CE-CD2 3.82Å; M95-Y131 HydrophobicContact CE-CE1 4.44Å; M95-Y131 HydrophobicContact CE-CE2 4.14Å; M95-Y131 HydrophobicContact CE-CG 3.81Å; M95-Y131 HydrophobicContact CG-CD2 3.72Å; M95-Y131 HydrophobicContact CG-CE2 3.78Å; M95-Y131 HydrophobicContact SD-CD2 3.61Å; M95-Y131 HydrophobicContact SD-CE2 4.21Å; M95-Y131 HydrophobicContact SD-CG 3.98Å; H120-Y131 PolarHBondContact CE1-O 2.88Å; Y131-C143 PolarHBondContact N-O 2.89Å
132	G	94.7	Very high	93.6	Very high	6 Å²	6	23.9 Å²	23.9	6%	0.062	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.3	168.7	-179.3	0	0	0	0	0	113	F130 C143	F130-G132 VanDerWaalsContact CE2-C 3.46Å; F130-G132 WeakPolarHBondContact CE2-O 3.33Å; F130-G132 VanDerWaalsContact CZ-CA 3.42Å; G132-C143 PolarHBondContact N-O 2.67Å; G132-C143 PolarHBondContact O-N 3.41Å
133	A	93.9	Very high	93.9	Very high	25 Å²	25	23.8 Å²	23.8	21%	0.207	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	143.8	174.2	0	0	0	0	0	110.6	L116 F130 S141 I142	L116-A133 HydrophobicContact CB-CB 4.26Å; L116-A133 HydrophobicContact CD1-CB 4Å; F130-A133 HydrophobicContact CE2-CB 4.13Å; F130-A133 HydrophobicContact CZ-CB 3.76Å; A133-S141 CarbonylContact C-O 3.48Å; A133-S141 WeakPolarHBondContact CA-O 3.34Å; A133-S141 WeakPolarHBondContact CB-O 3.42Å; A133-I142 HydrophobicContact CB-CG1 4.4Å
134	F	93.2	Very high	94.1	Very high	23 Å²	23	23.7 Å²	23.7	10%	0.101	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	169.7	179.1	65.7	-84.7	0	0	0	110.5	L64 D66 F69 S141	L64-F134 HydrophobicContact CB-CD1 3.7Å; L64-F134 HydrophobicContact CB-CE1 3.9Å; L64-F134 HydrophobicContact CD1-CD1 4.45Å; D66-F134 HydrophobicContact CB-CE2 4.16Å; F69-F134 HydrophobicContact CD2-CZ 4.19Å; F69-F134 AromaticContact CE2-CE1 3.65Å; F69-F134 HydrophobicContact CE2-CE1 3.65Å; F69-F134 AromaticContact CE2-CZ 3.75Å; F69-F134 HydrophobicContact CE2-CZ 3.75Å; F69-F134 HydrophobicContact CZ-CE1 4.3Å; F134-S141 PolarHBondContact N-O 2.81Å; F134-S141 PolarHBondContact O-N 2.97Å
135	Y	91.6	Very high	94.1	Very high	75 Å²	75	24.1 Å²	24.1	29%	0.294	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	133.2	175.2	176.6	-90.6	0	0	0	110.2	R109 G138 E139 I140	R109-Y135 VanDerWaalsContact CD-CE2 3.42Å; R109-Y135 VanDerWaalsContact CD-CG 3.42Å; R109-Y135 VanDerWaalsContact CD-CZ 3.48Å; R109-Y135 HydrophobicContact CG-CD2 3.91Å; R109-Y135 HydrophobicContact CG-CE2 4.18Å; R109-Y135 HydrophobicContact CG-CG 4.13Å; R109-Y135 PolarHBondContact NH1-OH 2.85Å; Y135-G138 VanDerWaalsContact CE2-C 3.43Å; Y135-G138 VanDerWaalsContact OH-CA 3.26Å; Y135-G138 WeakPolarHBondContact OH-CA 3.49Å; Y135-E139 WeakPolarHBondContact CA-O 3.3Å; Y135-E139 WeakPolarHBondContact CD2-O 3.33Å; Y135-I140 HydrophobicContact CD2-CG1 3.88Å
136	S	91.2	Very high	94.2	Very high	27 Å²	27	25.5 Å²	25.5	19%	0.189	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	139.4	177.6	173.1	0	0	0	0	108.4	G138 E139	S136-G138 VanDerWaalsContact C-N 3.3Å; S136-G138 PolarHBondContact O-N 2.9Å; S136-G138 VanDerWaalsContact O-N 3.07Å; S136-E139 PolarHBondContact N-O 3.07Å; S136-E139 VanDerWaalsContact N-O 3.07Å; S136-E139 PolarHBondContact O-N 2.88Å
137	D	87.5	Confident	94.2	Very high	144 Å²	144	24.5 Å²	24.5	77%	0.77	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.2	40.5	170.4	-60.3	-17	0	0	0	116.7	E139	D137-E139 VanDerWaalsContact C-N 3.34Å
138	G	85.6	Confident	94.1	Very high	19 Å²	19	27.3 Å²	27.3	20%	0.196	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	91	-5	178.7	0	0	0	0	0	114.5	L102 Y135 S136	L102-G138 PolarHBondContact N-O 3.07Å; Y135-G138 VanDerWaalsContact CE2-C 3.43Å; Y135-G138 VanDerWaalsContact OH-CA 3.26Å; Y135-G138 WeakPolarHBondContact OH-CA 3.49Å; S136-G138 VanDerWaalsContact C-N 3.3Å; S136-G138 PolarHBondContact O-N 2.9Å; S136-G138 VanDerWaalsContact O-N 3.07Å
139	E	90.4	Very high	94	Very high	62 Å²	62	27.1 Å²	27.1	29%	0.29	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	137.6	-169.8	-56.6	-169.8	147.6	0	0	112.2	L99 I100 H101 Y135 S136 D137	L99-E139 VanDerWaalsContact CD2-OE2 3.3Å; L99-E139 WeakPolarHBondContact CD2-OE2 3.39Å; I100-E139 WeakPolarHBondContact O-CA 3.48Å; H101-E139 HydrophobicContact CB-CG 4.45Å; H101-E139 IonicContact ND1-OE1 3.87Å; Y135-E139 WeakPolarHBondContact CA-O 3.3Å; Y135-E139 WeakPolarHBondContact CD2-O 3.33Å; S136-E139 PolarHBondContact N-O 3.07Å; S136-E139 VanDerWaalsContact N-O 3.07Å; S136-E139 PolarHBondContact O-N 2.88Å; D137-E139 VanDerWaalsContact C-N 3.34Å
140	I	91.3	Very high	94	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	123.3	167.4	-61.6	-179.9	0	0	0	107.8	L99 I100 L102 I112 I113 L116 Y135 I142	L99-I140 WeakPolarHBondContact CA-O 3.33Å; I100-I140 HydrophobicContact CB-CB 4.42Å; I100-I140 PolarHBondContact N-O 2.86Å; I100-I140 PolarHBondContact O-N 2.89Å; L102-I140 HydrophobicContact CD1-CD1 4.03Å; I112-I140 HydrophobicContact CB-CD1 4.32Å; I112-I140 HydrophobicContact CD1-CD1 4.29Å; I112-I140 HydrophobicContact CG2-CD1 3.73Å; I113-I140 HydrophobicContact CD1-CG2 4.03Å; L116-I140 HydrophobicContact CD1-CG2 4.08Å; Y135-I140 HydrophobicContact CD2-CG1 3.88Å; I140-I142 HydrophobicContact CG2-CG1 4.24Å
141	S	94.4	Very high	94	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128.3	175.3	-71.3	0	0	0	0	110.8	R97 K98 A133 F134	R97-S141 PolarHBondContact NE-OG 2.76Å; R97-S141 VanDerWaalsContact NE-OG 3.11Å; R97-S141 PolarHBondContact NH2-OG 2.81Å; K98-S141 CarbonylContact O-C 3.59Å; K98-S141 WeakPolarHBondContact O-CA 3.41Å; A133-S141 CarbonylContact C-O 3.48Å; A133-S141 WeakPolarHBondContact CA-O 3.34Å; A133-S141 WeakPolarHBondContact CB-O 3.42Å; F134-S141 PolarHBondContact N-O 2.81Å; F134-S141 PolarHBondContact O-N 2.97Å
142	I	94.7	Very high	94.1	Very high	12 Å²	12	27 Å²	27	6%	0.062	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	116.3	176.4	-55.7	-180	0	0	0	107.5	R97 K98 I100 L116 F130 A133 I140 M144	R97-I142 WeakPolarHBondContact CA-O 3.09Å; K98-I142 HydrophobicContact CB-CB 4.38Å; K98-I142 PolarHBondContact N-O 2.62Å; K98-I142 PolarHBondContact O-N 2.8Å; I100-I142 HydrophobicContact CD1-CD1 3.97Å; L116-I142 HydrophobicContact CD1-CD1 4.16Å; L116-I142 HydrophobicContact CD1-CG1 4.28Å; L116-I142 HydrophobicContact CD2-CD1 4.24Å; F130-I142 HydrophobicContact CD2-CG2 4.2Å; F130-I142 HydrophobicContact CE2-CG2 3.77Å; A133-I142 HydrophobicContact CB-CG1 4.4Å; I140-I142 HydrophobicContact CG2-CG1 4.24Å; I142-M144 HydrophobicContact CB-CE 4.46Å; I142-M144 HydrophobicContact CG2-CE 3.96Å
143	C	96.9	Very high	94.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	121.8	-178.5	-60.2	0	0	0	0	110.4	L64 F69 M95 A96 Y131 G132	L64-C143 HydrophobicContact CD1-CB 3.8Å; F69-C143 VanDerWaalsContact CZ-SG 3.5Å; M95-C143 HydrophobicContact SD-CB 4.01Å; A96-C143 WeakPolarHBondContact O-CA 3.1Å; Y131-C143 PolarHBondContact N-O 2.89Å; G132-C143 PolarHBondContact N-O 2.67Å; G132-C143 PolarHBondContact O-N 3.41Å
144	M	96.6	Very high	94.2	Very high	17 Å²	17	31 Å²	31	8%	0.084	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	165.7	-174.3	68.6	-167.6	78.8	0	0	111.5	M95 A96 K98 V128 G129 I142	M95-M144 WeakPolarHBondContact CA-O 3.28Å; A96-M144 HydrophobicContact CB-CG 3.72Å; A96-M144 PolarHBondContact N-O 3.23Å; A96-M144 WeakPolarHBondContact O-CG 3.12Å; A96-M144 PolarHBondContact O-N 2.69Å; K98-M144 HydrophobicContact CB-CE 3.93Å; V128-M144 HydrophobicContact CG1-CB 3.98Å; V128-M144 HydrophobicContact CG1-CG 4.13Å; V128-M144 HydrophobicContact CG1-SD 4.23Å; G129-M144 CarbonylContact O-C 3.55Å; G129-M144 VanDerWaalsContact O-CA 3.26Å; G129-M144 WeakPolarHBondContact O-CA 3.48Å; G129-M144 WeakPolarHBondContact O-CB 3.2Å; I142-M144 HydrophobicContact CB-CE 4.46Å; I142-M144 HydrophobicContact CG2-CE 3.96Å
145	E	96.9	Very high	94.3	Very high	14 Å²	14	29.9 Å²	29.9	7%	0.065	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	141.2	174.4	73.4	177.1	142.2	0	0	110.8	F54 V128 G129 M147 K206	F54-E145 HydrophobicContact CD2-CB 4.48Å; F54-E145 HydrophobicContact CE2-CB 3.97Å; V128-E145 WeakPolarHBondContact CA-OE1 3.36Å; V128-E145 HydrophobicContact CG1-CG 3.64Å; G129-E145 PolarHBondContact N-OE1 3.04Å; G129-E145 PolarHBondContact O-N 2.97Å; E145-M147 HydrophobicContact CG-CG 4.46Å; E145-M147 HydrophobicContact CG-SD 4.03Å; E145-M147 PolarHBondContact O-N 3.4Å; E145-K206 VanDerWaalsContact CD-NZ 3.34Å; E145-K206 WeakPolarHBondContact OE1-CD 3.47Å; E145-K206 WeakPolarHBondContact OE1-CE 3.49Å; E145-K206 IonicContact OE1-NZ 2.62Å; E145-K206 PolarHBondContact OE1-NZ 3.03Å; E145-K206 IonicContact OE2-NZ 3.1Å; E145-K206 PolarHBondContact OE2-NZ 2.94Å; E145-K206 VanDerWaalsContact OE2-NZ 3.11Å
146	H	97.6	Very high	94.6	Very high	40 Å²	40	26.9 Å²	26.9	19%	0.185	15%	0.149	C	C	.	.			trans	-83.1	118	177.5	169.4	-91.5	0	0	0	110.4	K85 I94 D148	K85-H146 WeakPolarHBondContact CD-NE2 3.1Å; K85-H146 WeakPolarHBondContact CE-NE2 3.47Å; I94-H146 HydrophobicContact CG2-CB 4.07Å; H146-D148 VanDerWaalsContact CE1-CA 3.42Å; H146-D148 WeakPolarHBondContact CE1-CA 3.26Å
147	M	97.6	Very high	94.8	Very high	11 Å²	11	32.7 Å²	32.7	5%	0.054	17%	0.171	C	C	.	.			trans	-95.7	100.6	175.1	-60	-63.6	-74.6	0	0	108.8	V128 E145 G149 G150 L198 V199 N200 E204 K206	V128-M147 HydrophobicContact CG2-CG 4.33Å; E145-M147 HydrophobicContact CG-CG 4.46Å; E145-M147 HydrophobicContact CG-SD 4.03Å; E145-M147 PolarHBondContact O-N 3.4Å; M147-G149 PolarHBondContact O-N 3.29Å; M147-G150 PolarHBondContact O-N 3.18Å; M147-L198 HydrophobicContact CB-CB 3.82Å; M147-L198 HydrophobicContact CB-CD1 4.12Å; M147-L198 HydrophobicContact CE-CB 4.32Å; M147-L198 HydrophobicContact CG-CB 3.71Å; M147-L198 HydrophobicContact CG-CD1 3.87Å; M147-L198 HydrophobicContact CG-CG 4.46Å; M147-V199 WeakPolarHBondContact CB-O 3.46Å; M147-N200 HydrophobicContact CE-CB 3.92Å; M147-N200 HydrophobicContact SD-CB 4.27Å; M147-E204 HydrophobicContact CE-CB 4.48Å; M147-K206 HydrophobicContact CE-CB 4.12Å; M147-K206 HydrophobicContact CE-CD 4Å; M147-K206 HydrophobicContact CE-CG 3.93Å; M147-K206 HydrophobicContact SD-CD 4.22Å
148	D	95.6	Very high	95.2	Very high	61 Å²	61	31.9 Å²	31.9	33%	0.326	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-14.2	-171.2	65.4	-13.7	0	0	0	114.7	H146 G150 N200 S201	H146-D148 VanDerWaalsContact CE1-CA 3.42Å; H146-D148 WeakPolarHBondContact CE1-CA 3.26Å; D148-G150 VanDerWaalsContact C-N 3.34Å; D148-N200 WeakPolarHBondContact OD1-CA 3.3Å; D148-N200 WeakPolarHBondContact OD1-CB 3.46Å; D148-S201 PolarHBondContact OD1-N 3.29Å; D148-S201 PolarHBondContact OD1-OG 3.09Å; D148-S201 WeakPolarHBondContact OD2-CB 2.94Å; D148-S201 PolarHBondContact OD2-OG 3.24Å
149	G	95.9	Very high	95.6	Very high	5 Å²	5	32.9 Å²	32.9	5%	0.052	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-7.6	171.5	0	0	0	0	0	114.3	M147 V199 I380	M147-G149 PolarHBondContact O-N 3.29Å; G149-V199 CarbonylContact C-O 3.5Å; G149-V199 WeakPolarHBondContact CA-O 3.48Å; G149-V199 PolarHBondContact N-O 2.91Å; G149-I380 VanDerWaalsContact CA-CD1 3.46Å
150	G	96.2	Very high	95.9	Very high	16 Å²	16	31.9 Å²	31.9	17%	0.165	17%	0.173	C	C	.	.			trans	69.2	-151.6	-177.8	0	0	0	0	0	112.5	M147 D148 L198 V199	M147-G150 PolarHBondContact O-N 3.18Å; D148-G150 VanDerWaalsContact C-N 3.34Å; G150-L198 WeakPolarHBondContact O-CA 3.45Å; G150-V199 PolarHBondContact N-O 3.21Å; G150-V199 PolarHBondContact O-N 3.14Å
151	S	96.9	Very high	96.1	Very high	10 Å²	10	35.4 Å²	35.4	7%	0.07	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-94.7	159.9	178.8	68.1	0	0	0	0	112.8	D153 Q154 S155 S195 I197	S151-D153 PolarHBondContact O-N 3.22Å; S151-Q154 VanDerWaalsContact N-OE1 3.12Å; S151-Q154 WeakPolarHBondContact O-CB 3.33Å; S151-Q154 PolarHBondContact O-N 3.11Å; S151-Q154 VanDerWaalsContact O-N 3.14Å; S151-Q154 WeakPolarHBondContact OG-CG 3.34Å; S151-Q154 PolarHBondContact OG-N 3.32Å; S151-S155 PolarHBondContact O-N 3.08Å; S151-S155 PolarHBondContact O-OG 3.05Å; S151-S195 WeakPolarHBondContact CB-O 3.34Å; S151-I197 CarbonylContact C-O 3.45Å; S151-I197 WeakPolarHBondContact CA-O 3.14Å
152	L	97.8	Very high	96.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-65.1	-25.9	173	-72.2	-176.1	0	0	0	112.7	Q154 S155 L156 I162 V170 P194 I197 V199 M257	L152-Q154 VanDerWaalsContact C-N 3.35Å; L152-S155 PolarHBondContact O-N 2.9Å; L152-L156 VanDerWaalsContact O-CB 3.26Å; L152-L156 WeakPolarHBondContact O-CB 3.37Å; L152-L156 PolarHBondContact O-N 3.24Å; L152-I162 HydrophobicContact CD2-CD1 4.38Å; L152-V170 HydrophobicContact CD1-CB 4.36Å; L152-V170 HydrophobicContact CD1-CG1 3.58Å; L152-V170 HydrophobicContact CD1-CG2 3.75Å; L152-P194 HydrophobicContact CB-CB 4.28Å; L152-P194 PolarHBondContact N-O 3.03Å; L152-P194 VanDerWaalsContact N-O 3.14Å; L152-I197 HydrophobicContact CB-CB 4.44Å; L152-I197 HydrophobicContact CD1-CB 3.84Å; L152-I197 HydrophobicContact CD1-CD1 4.19Å; L152-I197 HydrophobicContact CD1-CG2 3.45Å; L152-I197 VanDerWaalsContact CD1-CG2 3.45Å; L152-I197 HydrophobicContact CG-CB 4.12Å; L152-I197 HydrophobicContact CG-CG2 3.93Å; L152-I197 PolarHBondContact N-O 3.04Å; L152-V199 HydrophobicContact CD2-CG1 3.63Å; L152-V199 HydrophobicContact CD2-CG2 4.39Å; L152-V199 HydrophobicContact CG-CG1 4.06Å; L152-M257 HydrophobicContact CB-SD 3.85Å; L152-M257 HydrophobicContact CD1-CE 4.34Å; L152-M257 HydrophobicContact CD1-SD 3.75Å; L152-M257 HydrophobicContact CG-SD 4.4Å
153	D	95.4	Very high	96.5	Very high	37 Å²	37	37.2 Å²	37.2	20%	0.198	20%	0.201	C	C	.	.	H	α-helix	trans	-60.1	-43.7	169.5	168.2	76.6	0	0	0	111.8	S151 L156 K157 P194	S151-D153 PolarHBondContact O-N 3.22Å; D153-L156 PolarHBondContact O-N 3.05Å; D153-K157 WeakPolarHBondContact O-CG 3.45Å; D153-K157 PolarHBondContact O-N 3.41Å; D153-K157 VanDerWaalsContact O-N 3.09Å; D153-K157 WeakPolarHBondContact OD1-CE 3.24Å; D153-K157 IonicContact OD1-NZ 2.7Å; D153-K157 PolarHBondContact OD1-NZ 2.77Å; D153-K157 WeakPolarHBondContact OD2-CE 3.34Å; D153-K157 IonicContact OD2-NZ 3.98Å; D153-K157 PolarHBondContact OD2-NZ 3.4Å; D153-P194 HydrophobicContact CB-CB 4.04Å; D153-P194 PolarHBondContact N-O 3.24Å; D153-P194 VanDerWaalsContact N-O 3.11Å
154	Q	94.9	Very high	96.5	Very high	77 Å²	77	39.4 Å²	39.4	36%	0.36	21%	0.211	S	C	.	.	H	α-helix	trans	-68.2	-38.8	176.5	-67.9	170.6	-24.4	0	0	111.5	L75 S151 L152 K157 K158	L75-Q154 PolarHBondContact O-NE2 3.24Å; S151-Q154 VanDerWaalsContact N-OE1 3.12Å; S151-Q154 WeakPolarHBondContact O-CB 3.33Å; S151-Q154 PolarHBondContact O-N 3.11Å; S151-Q154 VanDerWaalsContact O-N 3.14Å; S151-Q154 WeakPolarHBondContact OG-CG 3.34Å; S151-Q154 PolarHBondContact OG-N 3.32Å; L152-Q154 VanDerWaalsContact C-N 3.35Å; Q154-K157 PolarHBondContact O-N 3.4Å; Q154-K158 PolarHBondContact O-N 3.49Å
155	S	96.1	Very high	96.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.3	-42.7	175.5	-58.8	0	0	0	0	111.4	S151 L152 K157 K158 A159	S151-S155 PolarHBondContact O-N 3.08Å; S151-S155 PolarHBondContact O-OG 3.05Å; L152-S155 PolarHBondContact O-N 2.9Å; S155-K157 PolarHBondContact O-N 3.04Å; S155-K158 PolarHBondContact O-N 2.8Å; S155-K158 VanDerWaalsContact O-N 3.17Å; S155-A159 WeakPolarHBondContact O-CB 3.21Å; S155-A159 PolarHBondContact O-N 3.17Å
156	L	96.6	Very high	96.7	Very high	11 Å²	11	42.9 Å²	42.9	6%	0.058	23%	0.227	C	C	.	.	H	α-helix	trans	-60.4	-45.4	176.8	-177.2	63	0	0	0	111.7	L152 D153 K158 A159 G160 I162 E256 M257	L152-L156 VanDerWaalsContact O-CB 3.26Å; L152-L156 WeakPolarHBondContact O-CB 3.37Å; L152-L156 PolarHBondContact O-N 3.24Å; D153-L156 PolarHBondContact O-N 3.05Å; L156-K158 PolarHBondContact O-N 2.93Å; L156-A159 PolarHBondContact O-N 3.34Å; L156-G160 WeakPolarHBondContact O-CA 3.44Å; L156-G160 PolarHBondContact O-N 2.69Å; L156-I162 HydrophobicContact CB-CD1 4.46Å; L156-I162 HydrophobicContact CD1-CD1 4.45Å; L156-I162 HydrophobicContact CD1-CG1 4.02Å; L156-E256 HydrophobicContact CD2-CG 3.93Å; L156-M257 HydrophobicContact CD1-CB 4.39Å; L156-M257 WeakPolarHBondContact CD1-O 3.43Å; L156-M257 HydrophobicContact CD2-CG 4.21Å
157	K	95.4	Very high	96.7	Very high	149 Å²	149	41 Å²	41	65%	0.648	22%	0.218	S	C	*	.	H	α-helix	trans	-59.2	-30.8	176.9	-74.9	166.5	-178.7	161	0	113.2	D153 Q154 S155	D153-K157 WeakPolarHBondContact O-CG 3.45Å; D153-K157 PolarHBondContact O-N 3.41Å; D153-K157 VanDerWaalsContact O-N 3.09Å; D153-K157 WeakPolarHBondContact OD1-CE 3.24Å; D153-K157 IonicContact OD1-NZ 2.7Å; D153-K157 PolarHBondContact OD1-NZ 2.77Å; D153-K157 WeakPolarHBondContact OD2-CE 3.34Å; D153-K157 IonicContact OD2-NZ 3.98Å; D153-K157 PolarHBondContact OD2-NZ 3.4Å; Q154-K157 PolarHBondContact O-N 3.4Å; S155-K157 PolarHBondContact O-N 3.04Å
158	K	95.4	Very high	96.8	Very high	128 Å²	128	40.5 Å²	40.5	56%	0.557	22%	0.216	S	C	*	.	H	α-helix	trans	-85.2	-41.7	177.2	-70.9	-174.6	175.6	179.7	0	112.8	Q154 S155 L156 T379 I380	Q154-K158 PolarHBondContact O-N 3.49Å; S155-K158 PolarHBondContact O-N 2.8Å; S155-K158 VanDerWaalsContact O-N 3.17Å; L156-K158 PolarHBondContact O-N 2.93Å; K158-T379 HydrophobicContact CB-CG2 4.2Å; K158-I380 HydrophobicContact CD-CB 4.09Å; K158-I380 HydrophobicContact CD-CG2 3.98Å; K158-I380 PolarHBondContact NZ-O 3.22Å
159	A	95.6	Very high	96.9	Very high	40 Å²	40	39.8 Å²	39.8	33%	0.331	21%	0.21	S	C	.	.	H	α-helix	trans	-76.8	-24.6	-178.6	0	0	0	0	0	113.2	S155 L156 K161 T379	S155-A159 WeakPolarHBondContact O-CB 3.21Å; S155-A159 PolarHBondContact O-N 3.17Å; L156-A159 PolarHBondContact O-N 3.34Å; A159-K161 WeakPolarHBondContact CB-O 3.29Å; A159-K161 PolarHBondContact O-N 3.31Å; A159-T379 HydrophobicContact CB-CG2 3.75Å
160	G	95.7	Very high	97.1	Very high	40 Å²	40	39.6 Å²	39.6	41%	0.412	21%	0.207	S	C	.	.	S	Bend	trans	74.8	-51.8	-165.8	0	0	0	0	0	111.7	L156 G260	L156-G160 WeakPolarHBondContact O-CA 3.44Å; L156-G160 PolarHBondContact O-N 2.69Å; G160-G260 WeakPolarHBondContact O-CA 3.48Å
161	K	96.2	Very high	97.2	Very high	76 Å²	76	38.8 Å²	38.8	33%	0.33	20%	0.2	S	C	.	.	S	Bend	trans	-138.5	145.5	177.6	-67.7	176	-70.6	-168.8	0	109.9	A159 I259 I275 F276	A159-K161 WeakPolarHBondContact CB-O 3.29Å; A159-K161 PolarHBondContact O-N 3.31Å; K161-I259 WeakPolarHBondContact CG-O 3.4Å; K161-I275 HydrophobicContact CD-CG2 4.07Å; K161-I275 PolarHBondContact NZ-O 3.32Å; K161-F276 HydrophobicContact CD-CD1 4.44Å; K161-F276 HydrophobicContact CD-CE1 3.85Å; K161-F276 HydrophobicContact CD-CZ 4.49Å
162	I	98.1	Very high	97.3	Very high	3 Å²	3	39 Å²	39	2%	0.015	20%	0.2	C	C	.	.			trans	-98.7	127	175.1	-59.3	-176.1	0	0	0	109.1	L152 L156 I166 L167 M257 W375	L152-I162 HydrophobicContact CD2-CD1 4.38Å; L156-I162 HydrophobicContact CB-CD1 4.46Å; L156-I162 HydrophobicContact CD1-CD1 4.45Å; L156-I162 HydrophobicContact CD1-CG1 4.02Å; I162-I166 HydrophobicContact CG2-CB 3.8Å; I162-I166 HydrophobicContact CG2-CG2 3.48Å; I162-I166 VanDerWaalsContact CG2-CG2 3.48Å; I162-L167 HydrophobicContact CB-CD2 3.95Å; I162-L167 HydrophobicContact CB-CG 4.17Å; I162-L167 HydrophobicContact CG2-CD2 3.65Å; I162-L167 HydrophobicContact CG2-CG 3.8Å; I162-M257 HydrophobicContact CB-CB 4.32Å; I162-M257 HydrophobicContact CD1-CB 4.03Å; I162-M257 HydrophobicContact CD1-CG 4.04Å; I162-M257 HydrophobicContact CD1-SD 3.88Å; I162-M257 HydrophobicContact CG1-CB 4.33Å; I162-M257 PolarHBondContact N-O 2.85Å; I162-W375 HydrophobicContact CB-CZ2 4.43Å; I162-W375 HydrophobicContact CD1-CH2 4.16Å; I162-W375 HydrophobicContact CG1-CH2 4.16Å; I162-W375 HydrophobicContact CG1-CZ2 4.13Å; I162-W375 HydrophobicContact CG2-CH2 3.94Å; I162-W375 HydrophobicContact CG2-CZ2 3.89Å
163	P	98.1	Very high	97.3	Very high	47 Å²	47	39.4 Å²	39.4	31%	0.305	20%	0.203	S	C	.	.			trans	-58	148.7	178.7	-25.4	34.7	0	0	0	113.3	E165 I166 L167	P163-E165 VanDerWaalsContact C-N 3.34Å; P163-E165 HydrophobicContact CB-CG 4.01Å; P163-E165 PolarHBondContact O-N 3.49Å; P163-I166 HydrophobicContact CB-CG1 4.15Å; P163-I166 HydrophobicContact CG-CG1 4.25Å; P163-I166 WeakPolarHBondContact O-CB 3.36Å; P163-I166 PolarHBondContact O-N 3.48Å; P163-I166 VanDerWaalsContact O-N 3.11Å; P163-L167 WeakPolarHBondContact O-CG 3.38Å; P163-L167 PolarHBondContact O-N 3.09Å
164	E	98.4	Very high	97.5	Very high	46 Å²	46	37.7 Å²	37.7	22%	0.215	19%	0.194	C	C	.	.	H	α-helix	trans	-57.4	-44	-179.1	-178	175.9	146.4	0	0	112.8	I166 L167 G168 F331 S332 F335 F361	E164-I166 VanDerWaalsContact C-N 3.26Å; E164-I166 PolarHBondContact O-N 3.14Å; E164-L167 CarbonylContact O-C 3.6Å; E164-L167 WeakPolarHBondContact O-CA 3.38Å; E164-L167 WeakPolarHBondContact O-CB 3.36Å; E164-L167 PolarHBondContact O-N 3.36Å; E164-G168 PolarHBondContact O-N 2.78Å; E164-F331 HydrophobicContact CB-CD1 4.4Å; E164-F331 WeakPolarHBondContact OE2-CD1 3.39Å; E164-S332 WeakPolarHBondContact OE1-CB 3.26Å; E164-S332 PolarHBondContact OE1-OG 3.44Å; E164-S332 PolarHBondContact OE2-N 3.32Å; E164-F335 HydrophobicContact CB-CD1 4.34Å; E164-F335 HydrophobicContact CG-CB 4.16Å; E164-F335 HydrophobicContact CG-CD1 3.53Å; E164-F335 HydrophobicContact CG-CE1 4.1Å; E164-F335 HydrophobicContact CG-CG 3.96Å; E164-F335 WeakPolarHBondContact OE1-CB 3.24Å; E164-F361 HydrophobicContact CG-CE2 3.96Å; E164-F361 HydrophobicContact CG-CZ 4.49Å
165	E	98.1	Very high	97.6	Very high	103 Å²	103	34 Å²	34	48%	0.481	18%	0.177	S	C	.	.	H	α-helix	trans	-57	-38.2	176.9	61.7	-173.4	174.9	0	0	112.6	P163 G168 K169 V370	P163-E165 VanDerWaalsContact C-N 3.34Å; P163-E165 HydrophobicContact CB-CG 4.01Å; P163-E165 PolarHBondContact O-N 3.49Å; E165-G168 PolarHBondContact O-N 3.04Å; E165-K169 PolarHBondContact O-N 3.42Å; E165-V370 HydrophobicContact CB-CG1 4.47Å; E165-V370 HydrophobicContact CB-CG2 4.02Å; E165-V370 HydrophobicContact CG-CG1 4.25Å
166	I	98.6	Very high	97.7	Very high	1 Å²	1	37 Å²	37	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-71.4	-42.1	175.9	-62	-65.9	0	0	0	109.9	I162 P163 E164 G168 K169 V170 V370 F372 W375	I162-I166 HydrophobicContact CG2-CB 3.8Å; I162-I166 HydrophobicContact CG2-CG2 3.48Å; I162-I166 VanDerWaalsContact CG2-CG2 3.48Å; P163-I166 HydrophobicContact CB-CG1 4.15Å; P163-I166 HydrophobicContact CG-CG1 4.25Å; P163-I166 WeakPolarHBondContact O-CB 3.36Å; P163-I166 PolarHBondContact O-N 3.48Å; P163-I166 VanDerWaalsContact O-N 3.11Å; E164-I166 VanDerWaalsContact C-N 3.26Å; E164-I166 PolarHBondContact O-N 3.14Å; I166-G168 VanDerWaalsContact C-N 3.25Å; I166-G168 PolarHBondContact O-N 2.99Å; I166-K169 PolarHBondContact O-N 3.08Å; I166-K169 VanDerWaalsContact O-N 3.17Å; I166-V170 WeakPolarHBondContact O-CG2 3.48Å; I166-V170 PolarHBondContact O-N 3.11Å; I166-V370 HydrophobicContact CD1-CG1 3.54Å; I166-V370 HydrophobicContact CG1-CG1 4.47Å; I166-F372 HydrophobicContact CD1-CD2 4.05Å; I166-F372 HydrophobicContact CG2-CD2 3.77Å; I166-F372 HydrophobicContact CG2-CE2 3.54Å; I166-W375 HydrophobicContact CD1-CB 3.76Å; I166-W375 HydrophobicContact CD1-CD2 3.75Å; I166-W375 HydrophobicContact CD1-CE3 3.95Å; I166-W375 HydrophobicContact CD1-CG 3.64Å; I166-W375 HydrophobicContact CG1-CD2 3.81Å; I166-W375 HydrophobicContact CG1-CE3 4.21Å; I166-W375 HydrophobicContact CG1-CG 3.92Å; I166-W375 HydrophobicContact CG2-CD2 4.07Å; I166-W375 HydrophobicContact CG2-CE3 3.7Å; I166-W375 HydrophobicContact CG2-CH2 3.84Å; I166-W375 HydrophobicContact CG2-CZ2 4.18Å; I166-W375 HydrophobicContact CG2-CZ3 3.58Å
167	L	98.8	Very high	97.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-64.8	-28.6	176	-66.9	178.8	0	0	0	112.8	I162 P163 E164 V170 S171 L254 M257 A258 F335	I162-L167 HydrophobicContact CB-CD2 3.95Å; I162-L167 HydrophobicContact CB-CG 4.17Å; I162-L167 HydrophobicContact CG2-CD2 3.65Å; I162-L167 HydrophobicContact CG2-CG 3.8Å; P163-L167 WeakPolarHBondContact O-CG 3.38Å; P163-L167 PolarHBondContact O-N 3.09Å; E164-L167 CarbonylContact O-C 3.6Å; E164-L167 WeakPolarHBondContact O-CA 3.38Å; E164-L167 WeakPolarHBondContact O-CB 3.36Å; E164-L167 PolarHBondContact O-N 3.36Å; L167-V170 PolarHBondContact O-N 2.99Å; L167-S171 VanDerWaalsContact O-CB 3.31Å; L167-S171 WeakPolarHBondContact O-CB 3.43Å; L167-S171 PolarHBondContact O-N 3.11Å; L167-S171 PolarHBondContact O-OG 3.14Å; L167-L254 HydrophobicContact CB-CD2 4.26Å; L167-L254 HydrophobicContact CD2-CD2 4.14Å; L167-M257 HydrophobicContact CD1-CB 4.44Å; L167-M257 HydrophobicContact CD2-CB 3.75Å; L167-M257 HydrophobicContact CD2-CE 3.9Å; L167-M257 HydrophobicContact CD2-SD 4.22Å; L167-A258 HydrophobicContact CD1-CB 3.64Å; L167-F335 HydrophobicContact CB-CZ 4.19Å; L167-F335 HydrophobicContact CD1-CE1 4.06Å; L167-F335 HydrophobicContact CD1-CZ 3.77Å
168	G	98.7	Very high	97.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-57.7	-51.4	168.8	0	0	0	0	0	111.9	E164 E165 I166 V170 S171 I172 S365	E164-G168 PolarHBondContact O-N 2.78Å; E165-G168 PolarHBondContact O-N 3.04Å; I166-G168 VanDerWaalsContact C-N 3.25Å; I166-G168 PolarHBondContact O-N 2.99Å; G168-V170 PolarHBondContact O-N 2.68Å; G168-S171 PolarHBondContact O-N 3.48Å; G168-I172 WeakPolarHBondContact O-CG1 3.46Å; G168-I172 PolarHBondContact O-N 3.42Å; G168-S365 WeakPolarHBondContact CA-OG 3.4Å
169	K	98.6	Very high	97.9	Very high	46 Å²	46	24.3 Å²	24.3	20%	0.2	14%	0.136	C	C	.	.	H	α-helix	trans	-63.2	-40.6	176.3	-59.1	-55.5	-174.4	-179.7	0	112.6	E165 I166 I172 A173 I205 S365 E368 V370 F372	E165-K169 PolarHBondContact O-N 3.42Å; I166-K169 PolarHBondContact O-N 3.08Å; I166-K169 VanDerWaalsContact O-N 3.17Å; K169-I172 HydrophobicContact CD-CD1 4.37Å; K169-I172 PolarHBondContact O-N 3.36Å; K169-A173 PolarHBondContact O-N 2.89Å; K169-A173 VanDerWaalsContact O-N 3.15Å; K169-I205 HydrophobicContact CB-CD1 4.28Å; K169-S365 WeakPolarHBondContact CE-O 3.36Å; K169-S365 PolarHBondContact NZ-O 2.9Å; K169-E368 WeakPolarHBondContact CE-O 3.5Å; K169-E368 PolarHBondContact NZ-O 3.14Å; K169-V370 HydrophobicContact CG-CB 4.22Å; K169-F372 HydrophobicContact CB-CD2 4.29Å
170	V	98.8	Very high	97.9	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.006	13%	0.125	C	C	.	.	H	α-helix	trans	-60.6	-46.2	173.7	174	0	0	0	0	110.8	L152 I166 L167 G168 I172 A173 V174 I197 I205 M257 F372	L152-V170 HydrophobicContact CD1-CB 4.36Å; L152-V170 HydrophobicContact CD1-CG1 3.58Å; L152-V170 HydrophobicContact CD1-CG2 3.75Å; I166-V170 WeakPolarHBondContact O-CG2 3.48Å; I166-V170 PolarHBondContact O-N 3.11Å; L167-V170 PolarHBondContact O-N 2.99Å; G168-V170 PolarHBondContact O-N 2.68Å; V170-I172 PolarHBondContact O-N 2.75Å; V170-A173 PolarHBondContact O-N 3.37Å; V170-V174 HydrophobicContact CG1-CG2 4.13Å; V170-V174 WeakPolarHBondContact O-CG2 3.28Å; V170-V174 PolarHBondContact O-N 3.04Å; V170-I197 HydrophobicContact CG1-CD1 4.48Å; V170-I205 HydrophobicContact CG2-CD1 3.97Å; V170-M257 HydrophobicContact CG1-CE 4.37Å; V170-F372 HydrophobicContact CG2-CE2 4Å
171	S	98.8	Very high	97.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-60.6	-44.3	-179	-60	0	0	0	0	111.5	L167 G168 A173 V174 I175 L254	L167-S171 VanDerWaalsContact O-CB 3.31Å; L167-S171 WeakPolarHBondContact O-CB 3.43Å; L167-S171 PolarHBondContact O-N 3.11Å; L167-S171 PolarHBondContact O-OG 3.14Å; G168-S171 PolarHBondContact O-N 3.48Å; S171-A173 PolarHBondContact O-N 3.29Å; S171-V174 PolarHBondContact O-N 3.38Å; S171-I175 VanDerWaalsContact O-CG1 3.22Å; S171-I175 WeakPolarHBondContact O-CG1 3.08Å; S171-I175 PolarHBondContact O-N 3.44Å; S171-L254 WeakPolarHBondContact OG-CD1 3.44Å; S171-L254 WeakPolarHBondContact OG-CD2 3.41Å
172	I	98.6	Very high	97.7	Very high	15 Å²	15	23 Å²	23	8%	0.077	11%	0.108	C	C	.	.	H	α-helix	trans	-56.6	-50.6	174.6	-67.6	159.6	0	0	0	110.8	G168 K169 V170 V174 I175 K176 I362 E366	G168-I172 WeakPolarHBondContact O-CG1 3.46Å; G168-I172 PolarHBondContact O-N 3.42Å; K169-I172 HydrophobicContact CD-CD1 4.37Å; K169-I172 PolarHBondContact O-N 3.36Å; V170-I172 PolarHBondContact O-N 2.75Å; I172-V174 PolarHBondContact O-N 2.99Å; I172-I175 PolarHBondContact O-N 3.49Å; I172-K176 HydrophobicContact CG2-CD 3.96Å; I172-K176 HydrophobicContact CG2-CG 4.49Å; I172-K176 WeakPolarHBondContact O-CB 3.25Å; I172-K176 WeakPolarHBondContact O-CG 3.25Å; I172-K176 PolarHBondContact O-N 3.05Å; I172-I362 HydrophobicContact CG1-CD1 4.11Å; I172-I362 HydrophobicContact CG1-CG2 3.98Å; I172-E366 HydrophobicContact CD1-CB 4.38Å; I172-E366 HydrophobicContact CD1-CG 3.61Å; I172-E366 HydrophobicContact CG1-CG 4.12Å
173	A	98.5	Very high	97.4	Very high	7 Å²	7	27.9 Å²	27.9	6%	0.058	13%	0.131	C	C	.	.	H	α-helix	trans	-63.3	-43.1	-177.9	0	0	0	0	0	112.4	Y126 K169 V170 S171 K176 G177 I205	Y126-A173 HydrophobicContact CD1-CB 3.82Å; Y126-A173 HydrophobicContact CE1-CB 4.26Å; K169-A173 PolarHBondContact O-N 2.89Å; K169-A173 VanDerWaalsContact O-N 3.15Å; V170-A173 PolarHBondContact O-N 3.37Å; S171-A173 PolarHBondContact O-N 3.29Å; A173-K176 PolarHBondContact O-N 3.45Å; A173-G177 PolarHBondContact O-N 3.44Å; A173-I205 HydrophobicContact CB-CB 3.62Å; A173-I205 HydrophobicContact CB-CD1 4.26Å; A173-I205 HydrophobicContact CB-CG2 3.73Å
174	V	98.8	Very high	97	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.012	14%	0.137	C	C	.	.	H	α-helix	trans	-65	-46	178.3	176.7	0	0	0	0	110.8	V170 S171 I172 K176 G177 L178 V192 I197 L207 M250	V170-V174 HydrophobicContact CG1-CG2 4.13Å; V170-V174 WeakPolarHBondContact O-CG2 3.28Å; V170-V174 PolarHBondContact O-N 3.04Å; S171-V174 PolarHBondContact O-N 3.38Å; I172-V174 PolarHBondContact O-N 2.99Å; V174-K176 PolarHBondContact O-N 3.45Å; V174-G177 PolarHBondContact O-N 3.07Å; V174-L178 HydrophobicContact CG1-CD1 3.95Å; V174-L178 HydrophobicContact CG1-CG 4.24Å; V174-L178 WeakPolarHBondContact O-CB 3.33Å; V174-L178 VanDerWaalsContact O-CG 3.31Å; V174-L178 WeakPolarHBondContact O-CG 3.41Å; V174-L178 PolarHBondContact O-N 2.86Å; V174-V192 HydrophobicContact CG1-CG1 4.28Å; V174-I197 HydrophobicContact CG2-CD1 3.9Å; V174-I197 HydrophobicContact CG2-CG1 4.25Å; V174-I197 HydrophobicContact CG2-CG2 4.48Å; V174-L207 HydrophobicContact CG1-CD2 4.35Å; V174-L207 HydrophobicContact CG2-CD2 4.19Å; V174-M250 HydrophobicContact CB-CG 4.45Å; V174-M250 HydrophobicContact CB-SD 3.96Å; V174-M250 HydrophobicContact CG1-CB 4.33Å; V174-M250 HydrophobicContact CG1-CG 3.82Å; V174-M250 HydrophobicContact CG1-SD 3.54Å; V174-M250 VanDerWaalsContact CG1-SD 3.54Å
175	I	98.5	Very high	96.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.5	-47.5	177	-62.4	163.9	0	0	0	110	S171 I172 G177 L178 S179 M250 F338 L353 L356 M357 I362	S171-I175 VanDerWaalsContact O-CG1 3.22Å; S171-I175 WeakPolarHBondContact O-CG1 3.08Å; S171-I175 PolarHBondContact O-N 3.44Å; I172-I175 PolarHBondContact O-N 3.49Å; I175-G177 VanDerWaalsContact C-N 3.33Å; I175-G177 PolarHBondContact O-N 3.22Å; I175-L178 PolarHBondContact O-N 3.48Å; I175-S179 WeakPolarHBondContact O-CB 3.4Å; I175-S179 PolarHBondContact O-N 3.17Å; I175-S179 PolarHBondContact O-OG 2.83Å; I175-S179 VanDerWaalsContact O-OG 3.1Å; I175-M250 HydrophobicContact CG1-CE 4.1Å; I175-M250 HydrophobicContact CG1-SD 3.98Å; I175-F338 HydrophobicContact CD1-CE2 4.14Å; I175-F338 HydrophobicContact CD1-CZ 3.94Å; I175-L353 HydrophobicContact CG2-CB 4.44Å; I175-L353 HydrophobicContact CG2-CD2 4.08Å; I175-L356 HydrophobicContact CD1-CB 3.84Å; I175-L356 HydrophobicContact CG1-CB 4.46Å; I175-M357 HydrophobicContact CB-CE 4Å; I175-M357 HydrophobicContact CG2-CB 4.5Å; I175-M357 HydrophobicContact CG2-CE 3.35Å; I175-M357 HydrophobicContact CG2-SD 4.37Å; I175-I362 HydrophobicContact CD1-CD1 3.8Å; I175-I362 HydrophobicContact CD1-CG1 3.99Å
176	K	97.8	Very high	96.2	Very high	61 Å²	61	32.1 Å²	32.1	27%	0.265	14%	0.143	S	C	.	.	H	α-helix	trans	-62.3	-39.3	179	-71.2	-177.4	179.5	176.3	0	112.1	Y126 I172 A173 V174 Y180 M357 E366	Y126-K176 HydrophobicContact CD1-CB 4.32Å; Y126-K176 HydrophobicContact CD2-CB 3.43Å; Y126-K176 VanDerWaalsContact CD2-CB 3.43Å; Y126-K176 HydrophobicContact CD2-CD 4.35Å; Y126-K176 HydrophobicContact CD2-CG 4.47Å; Y126-K176 HydrophobicContact CE1-CB 4.35Å; Y126-K176 HydrophobicContact CE1-CD 4.1Å; Y126-K176 HydrophobicContact CE2-CB 3.49Å; Y126-K176 VanDerWaalsContact CE2-CB 3.49Å; Y126-K176 HydrophobicContact CE2-CD 3.51Å; Y126-K176 HydrophobicContact CE2-CG 4.07Å; Y126-K176 HydrophobicContact CG-CB 3.88Å; Y126-K176 VanDerWaalsContact OH-CD 3.24Å; Y126-K176 WeakPolarHBondContact OH-CD 3.45Å; I172-K176 HydrophobicContact CG2-CD 3.96Å; I172-K176 HydrophobicContact CG2-CG 4.49Å; I172-K176 WeakPolarHBondContact O-CB 3.25Å; I172-K176 WeakPolarHBondContact O-CG 3.25Å; I172-K176 PolarHBondContact O-N 3.05Å; A173-K176 PolarHBondContact O-N 3.45Å; V174-K176 PolarHBondContact O-N 3.45Å; K176-Y180 WeakPolarHBondContact O-CB 3.4Å; K176-Y180 PolarHBondContact O-N 3.49Å; K176-M357 HydrophobicContact CB-CE 4.5Å; K176-M357 HydrophobicContact CG-CE 3.48Å; K176-M357 VanDerWaalsContact CG-CE 3.48Å; K176-M357 HydrophobicContact CG-SD 4.45Å; K176-E366 IonicContact NZ-OE1 3.85Å
177	G	97.8	Very high	95.8	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.3	-47.3	174.1	0	0	0	0	0	113	A173 V174 I175 Y180 L181	A173-G177 PolarHBondContact O-N 3.44Å; V174-G177 PolarHBondContact O-N 3.07Å; I175-G177 VanDerWaalsContact C-N 3.33Å; I175-G177 PolarHBondContact O-N 3.22Å; G177-Y180 PolarHBondContact O-N 3.13Å; G177-L181 WeakPolarHBondContact O-CG 3.4Å; G177-L181 PolarHBondContact O-N 3.07Å
178	L	97.5	Very high	95.3	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.016	16%	0.155	C	C	.	.	H	α-helix	trans	-65.1	-41.6	177.2	-68.1	178.2	0	0	0	112.1	V174 I175 L181 R182 H189 V192 L207 D246 L353	V174-L178 HydrophobicContact CG1-CD1 3.95Å; V174-L178 HydrophobicContact CG1-CG 4.24Å; V174-L178 WeakPolarHBondContact O-CB 3.33Å; V174-L178 VanDerWaalsContact O-CG 3.31Å; V174-L178 WeakPolarHBondContact O-CG 3.41Å; V174-L178 PolarHBondContact O-N 2.86Å; I175-L178 PolarHBondContact O-N 3.48Å; L178-L181 PolarHBondContact O-N 3.47Å; L178-R182 VanDerWaalsContact O-CB 3.3Å; L178-R182 WeakPolarHBondContact O-CB 3.33Å; L178-R182 PolarHBondContact O-N 3.15Å; L178-H189 HydrophobicContact CD2-CB 3.65Å; L178-V192 HydrophobicContact CD2-CG2 3.99Å; L178-L207 HydrophobicContact CD2-CD1 4.06Å; L178-L207 HydrophobicContact CG-CD1 4.12Å; L178-D246 HydrophobicContact CD1-CB 3.97Å; L178-D246 HydrophobicContact CD2-CB 4Å; L178-L353 HydrophobicContact CB-CD1 4.04Å; L178-L353 HydrophobicContact CB-CD2 3.93Å; L178-L353 HydrophobicContact CD1-CD2 4.22Å
179	S	96.4	Very high	95	Very high	19 Å²	19	34.6 Å²	34.6	13%	0.133	16%	0.156	C	C	.	.	H	α-helix	trans	-59.4	-46.4	174.2	-68.6	0	0	0	0	110.9	I175 L181 R182 E183	I175-S179 WeakPolarHBondContact O-CB 3.4Å; I175-S179 PolarHBondContact O-N 3.17Å; I175-S179 PolarHBondContact O-OG 2.83Å; I175-S179 VanDerWaalsContact O-OG 3.1Å; S179-L181 PolarHBondContact O-N 3.06Å; S179-R182 PolarHBondContact O-N 3.23Å; S179-E183 VanDerWaalsContact O-CB 3.29Å; S179-E183 WeakPolarHBondContact O-CB 3.38Å; S179-E183 WeakPolarHBondContact O-CG 3.48Å; S179-E183 PolarHBondContact O-N 2.92Å
180	Y	95.4	Very high	94.6	Very high	24 Å²	24	35.5 Å²	35.5	9%	0.094	16%	0.158	C	C	.	.	H	α-helix	trans	-57.6	-51	176.9	174	-94.1	0	0	0	112.3	L41 E121 C122 N123 I127 K176 G177 R182 K184 H185	L41-Y180 HydrophobicContact CD1-CE2 4.46Å; L41-Y180 HydrophobicContact CD2-CD2 3.94Å; L41-Y180 HydrophobicContact CD2-CE2 3.92Å; E121-Y180 PolarHBondContact O-OH 3.19Å; C122-Y180 HydrophobicContact CB-CE1 4.49Å; N123-Y180 PolarHBondContact N-OH 3.46Å; N123-Y180 PolarHBondContact O-OH 3.43Å; N123-Y180 VanDerWaalsContact O-OH 3.08Å; I127-Y180 HydrophobicContact CD1-CD1 4.47Å; I127-Y180 HydrophobicContact CG1-CD1 3.73Å; I127-Y180 HydrophobicContact CG1-CE1 4.13Å; K176-Y180 WeakPolarHBondContact O-CB 3.4Å; K176-Y180 PolarHBondContact O-N 3.49Å; G177-Y180 PolarHBondContact O-N 3.13Å; Y180-R182 VanDerWaalsContact C-N 3.32Å; Y180-R182 PolarHBondContact O-N 3.41Å; Y180-K184 HydrophobicContact CD2-CB 4.44Å; Y180-K184 HydrophobicContact CD2-CG 4Å; Y180-K184 HydrophobicContact CE2-CB 4.27Å; Y180-K184 HydrophobicContact CE2-CG 4.02Å; Y180-K184 WeakPolarHBondContact O-CB 3.35Å; Y180-K184 PolarHBondContact O-N 3.5Å; Y180-H185 AromaticContact CE1-CD2 3.57Å; Y180-H185 AromaticContact CE1-NE2 3.61Å; Y180-H185 AromaticContact CZ-CD2 3.84Å; Y180-H185 AromaticContact CZ-NE2 3.47Å; Y180-H185 PolarHBondContact OH-NE2 2.88Å
181	L	93.9	Very high	94.2	Very high	1 Å²	1	37 Å²	37	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-59.6	-43.4	178.7	-69.5	174.9	0	0	0	111.6	I127 G177 L178 S179 H185 K186 I187 F210	I127-L181 HydrophobicContact CD1-CD1 3.94Å; I127-L181 HydrophobicContact CD1-CD2 3.99Å; I127-L181 HydrophobicContact CD1-CG 3.79Å; I127-L181 HydrophobicContact CG1-CD2 4.47Å; G177-L181 WeakPolarHBondContact O-CG 3.4Å; G177-L181 PolarHBondContact O-N 3.07Å; L178-L181 PolarHBondContact O-N 3.47Å; S179-L181 PolarHBondContact O-N 3.06Å; L181-H185 CarbonylContact O-C 3.58Å; L181-H185 WeakPolarHBondContact O-CA 3.46Å; L181-H185 WeakPolarHBondContact O-CB 3.3Å; L181-H185 PolarHBondContact O-N 2.86Å; L181-K186 PolarHBondContact O-N 3.15Å; L181-I187 CarbonylContact C-O 3.44Å; L181-I187 HydrophobicContact CB-CB 4.37Å; L181-I187 PolarHBondContact O-N 3.35Å; L181-F210 HydrophobicContact CD1-CB 3.99Å; L181-F210 HydrophobicContact CD1-CD1 4.34Å; L181-F210 HydrophobicContact CD1-CD2 4.11Å; L181-F210 HydrophobicContact CD1-CG 3.91Å; L181-F210 HydrophobicContact CD2-CD2 3.72Å; L181-F210 HydrophobicContact CD2-CE1 4.44Å; L181-F210 HydrophobicContact CD2-CE2 3.53Å; L181-F210 HydrophobicContact CD2-CG 4.22Å; L181-F210 HydrophobicContact CD2-CZ 3.93Å
182	R	92.9	Very high	94.1	Very high	103 Å²	103	37 Å²	37	39%	0.389	17%	0.166	S	C	.	.	H	α-helix	trans	-70.5	-45.7	-178.3	177.6	58	179.3	-171.2	0.2	112.5	L178 S179 Y180 K186	L178-R182 VanDerWaalsContact O-CB 3.3Å; L178-R182 WeakPolarHBondContact O-CB 3.33Å; L178-R182 PolarHBondContact O-N 3.15Å; S179-R182 PolarHBondContact O-N 3.23Å; Y180-R182 VanDerWaalsContact C-N 3.32Å; Y180-R182 PolarHBondContact O-N 3.41Å; R182-K186 WeakPolarHBondContact O-CA 3.42Å; R182-K186 WeakPolarHBondContact O-CD 3.38Å; R182-K186 PolarHBondContact O-N 2.97Å
183	E	91.8	Very high	93.9	Very high	107 Å²	107	37.3 Å²	37.3	50%	0.5	17%	0.167	S	C	.	.	H	α-helix	trans	-81.1	-47.9	-170.5	-68.4	-176.5	169	0	0	111.9	S179 K186	S179-E183 VanDerWaalsContact O-CB 3.29Å; S179-E183 WeakPolarHBondContact O-CB 3.38Å; S179-E183 WeakPolarHBondContact O-CG 3.48Å; S179-E183 PolarHBondContact O-N 2.92Å; E183-K186 PolarHBondContact O-NZ 3.15Å
184	K	90.7	Very high	93.8	Very high	95 Å²	95	37 Å²	37	41%	0.413	16%	0.164	S	C	.	.	H	α-helix	trans	-83.1	-34.7	-175.7	-62.8	-66.4	-171.7	172.9	0	112.8	E40 Y180	E40-K184 IonicContact OE2-NZ 2.76Å; E40-K184 PolarHBondContact OE2-NZ 3.46Å; Y180-K184 HydrophobicContact CD2-CB 4.44Å; Y180-K184 HydrophobicContact CD2-CG 4Å; Y180-K184 HydrophobicContact CE2-CB 4.27Å; Y180-K184 HydrophobicContact CE2-CG 4.02Å; Y180-K184 WeakPolarHBondContact O-CB 3.35Å; Y180-K184 PolarHBondContact O-N 3.5Å
185	H	89	Confident	93.6	Very high	40 Å²	40	39.1 Å²	39.1	19%	0.185	18%	0.179	C	C	.	.	H	α-helix	trans	-116.9	-8.3	-172.8	-63	-71.8	0	0	0	115.2	E121 Y180 L181 I187	E121-H185 PolarHBondContact O-CE1 3.24Å; E121-H185 PolarHBondContact O-NE2 3.37Å; Y180-H185 AromaticContact CE1-CD2 3.57Å; Y180-H185 AromaticContact CE1-NE2 3.61Å; Y180-H185 AromaticContact CZ-CD2 3.84Å; Y180-H185 AromaticContact CZ-NE2 3.47Å; Y180-H185 PolarHBondContact OH-NE2 2.88Å; L181-H185 CarbonylContact O-C 3.58Å; L181-H185 WeakPolarHBondContact O-CA 3.46Å; L181-H185 WeakPolarHBondContact O-CB 3.3Å; L181-H185 PolarHBondContact O-N 2.86Å; H185-I187 HydrophobicContact CB-CB 4.35Å; H185-I187 HydrophobicContact CB-CD1 3.62Å; H185-I187 HydrophobicContact CB-CG1 3.84Å; H185-I187 PolarHBondContact O-N 2.88Å
186	K	90.4	Very high	93.4	Very high	149 Å²	149	39.5 Å²	39.5	65%	0.648	18%	0.181	S	C	*	.			trans	57.7	26.3	-173.2	-49.7	-54.3	178.3	-146.1	0	113.5	L181 R182 E183	L181-K186 PolarHBondContact O-N 3.15Å; R182-K186 WeakPolarHBondContact O-CA 3.42Å; R182-K186 WeakPolarHBondContact O-CD 3.38Å; R182-K186 PolarHBondContact O-N 2.97Å; E183-K186 PolarHBondContact O-NZ 3.15Å
187	I	89.2	Confident	93.5	Very high	21 Å²	21	36.8 Å²	36.8	11%	0.108	17%	0.169	C	C	.	.			trans	-93.2	146.5	-179.9	-65.9	170.7	0	0	0	109.9	V118 L181 H185 F210 V212	V118-I187 HydrophobicContact CG1-CD1 4.02Å; L181-I187 CarbonylContact C-O 3.44Å; L181-I187 HydrophobicContact CB-CB 4.37Å; L181-I187 PolarHBondContact O-N 3.35Å; H185-I187 HydrophobicContact CB-CB 4.35Å; H185-I187 HydrophobicContact CB-CD1 3.62Å; H185-I187 HydrophobicContact CB-CG1 3.84Å; H185-I187 PolarHBondContact O-N 2.88Å; I187-F210 HydrophobicContact CG2-CD2 4.06Å; I187-V212 HydrophobicContact CD1-CG1 4.48Å; I187-V212 HydrophobicContact CD1-CG2 4.17Å
188	M	89.6	Confident	93.5	Very high	30 Å²	30	38 Å²	38	15%	0.148	18%	0.176	C	C	.	.			trans	-108.8	145.8	166.3	-63.6	179.2	-70.9	0	0	108.4	R190 Y241 S242	M188-R190 HydrophobicContact CB-CG 4.08Å; M188-Y241 HydrophobicContact CE-CD2 4.2Å; M188-Y241 HydrophobicContact CE-CE2 3.86Å; M188-Y241 HydrophobicContact SD-CD2 4.35Å; M188-S242 WeakPolarHBondContact SD-CA 3.42Å
189	H	92.8	Very high	93.5	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.009	18%	0.175	C	C	.	.			trans	-72.9	-46.2	-176.2	-170.6	-50	0	0	0	112.1	L178 D191 V192 C208 F210 G211 D246	L178-H189 HydrophobicContact CD2-CB 3.65Å; H189-D191 PolarHBondContact CE1-O 3.43Å; H189-D191 PolarHBondContact ND1-N 3.1Å; H189-D191 PolarHBondContact O-N 3.1Å; H189-V192 HydrophobicContact CB-CG2 3.76Å; H189-C208 PolarHBondContact CE1-O 2.88Å; H189-C208 PolarHBondContact NE2-O 3.05Å; H189-F210 HydrophobicContact CB-CB 4.22Å; H189-G211 PolarHBondContact O-N 3Å; H189-D246 PolarHBondContact N-OD2 2.92Å
190	R	90.5	Very high	93.6	Very high	65 Å²	65	37.1 Å²	37.1	25%	0.245	17%	0.169	C	C	.	.	S	Bend	trans	67.4	1	177.7	-55.6	176	174.4	-179.1	-3.2	116.8	M188 R235 Y241 D246	M188-R190 HydrophobicContact CB-CG 4.08Å; R190-R235 PolarHBondContact O-NH1 3.32Å; R190-Y241 HydrophobicContact CG-CE2 4.47Å; R190-D246 WeakPolarHBondContact CA-OD1 3.38Å; R190-D246 PolarHBondContact N-OD1 2.78Å
191	D	89.6	Confident	93.6	Very high	32 Å²	32	36.7 Å²	36.7	17%	0.171	17%	0.17	C	C	.	.			trans	-155.8	44.2	-177.5	-163.7	24.6	0	0	0	111.3	H189 K193 N196 T227	H189-D191 PolarHBondContact CE1-O 3.43Å; H189-D191 PolarHBondContact ND1-N 3.1Å; H189-D191 PolarHBondContact O-N 3.1Å; D191-K193 PolarHBondContact O-N 2.95Å; D191-K193 IonicContact OD1-NZ 3.81Å; D191-K193 PolarHBondContact OD1-NZ 3.28Å; D191-K193 IonicContact OD2-NZ 3.31Å; D191-K193 PolarHBondContact OD2-NZ 2.95Å; D191-N196 VanDerWaalsContact CG-ND2 3.31Å; D191-N196 PolarHBondContact O-ND2 2.96Å; D191-N196 PolarHBondContact OD2-ND2 3.44Å; D191-T227 WeakPolarHBondContact OD1-CG2 3.27Å
192	V	95.5	Very high	93.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.187	C	C	.	.			trans	-71.7	122.9	175.6	-179.3	0	0	0	0	108.8	V174 L178 H189 D246 S249 M250	V174-V192 HydrophobicContact CG1-CG1 4.28Å; L178-V192 HydrophobicContact CD2-CG2 3.99Å; H189-V192 HydrophobicContact CB-CG2 3.76Å; V192-D246 HydrophobicContact CG2-CB 4.08Å; V192-S249 WeakPolarHBondContact O-CB 3.49Å; V192-M250 HydrophobicContact CG1-CB 4.25Å
193	K	95.2	Very high	93.7	Very high	23 Å²	23	37.4 Å²	37.4	10%	0.1	18%	0.18	C	C	.	.	S	Bend	trans	-164	163.8	178	59.4	-175.1	178.2	-140.4	0	109.9	D191 S195 N196 I197 Y230 S253	D191-K193 PolarHBondContact O-N 2.95Å; D191-K193 IonicContact OD1-NZ 3.81Å; D191-K193 PolarHBondContact OD1-NZ 3.28Å; D191-K193 IonicContact OD2-NZ 3.31Å; D191-K193 PolarHBondContact OD2-NZ 2.95Å; K193-S195 WeakPolarHBondContact CD-OG 3.42Å; K193-S195 WeakPolarHBondContact CE-OG 3.44Å; K193-S195 WeakPolarHBondContact CG-OG 3.33Å; K193-S195 PolarHBondContact O-N 2.81Å; K193-S195 VanDerWaalsContact O-N 3.08Å; K193-N196 WeakPolarHBondContact CE-ND2 3.48Å; K193-N196 HydrophobicContact CG-CB 4.21Å; K193-N196 PolarHBondContact O-N 3.43Å; K193-I197 PolarHBondContact O-N 3.34Å; K193-Y230 HydrophobicContact CB-CD1 4.15Å; K193-Y230 HydrophobicContact CB-CD2 3.87Å; K193-Y230 HydrophobicContact CB-CE1 4.22Å; K193-Y230 HydrophobicContact CB-CE2 3.95Å; K193-Y230 HydrophobicContact CB-CG 3.98Å; K193-Y230 HydrophobicContact CD-CD2 4.21Å; K193-Y230 HydrophobicContact CD-CE2 4.28Å; K193-S253 WeakPolarHBondContact CA-OG 3.47Å
194	P	96.7	Very high	94	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.006	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-56.8	-29.8	-177.5	-27.1	36.5	0	0	0	114.4	L152 D153 N196 I197 M257	L152-P194 HydrophobicContact CB-CB 4.28Å; L152-P194 PolarHBondContact N-O 3.03Å; L152-P194 VanDerWaalsContact N-O 3.14Å; D153-P194 HydrophobicContact CB-CB 4.04Å; D153-P194 PolarHBondContact N-O 3.24Å; D153-P194 VanDerWaalsContact N-O 3.11Å; P194-N196 VanDerWaalsContact C-N 3.29Å; P194-N196 PolarHBondContact O-N 3.29Å; P194-I197 PolarHBondContact O-N 3.48Å; P194-M257 HydrophobicContact CB-CG 4.32Å; P194-M257 HydrophobicContact CB-SD 4.13Å; P194-M257 HydrophobicContact CG-CG 3.98Å; P194-M257 HydrophobicContact CG-SD 4.14Å
195	S	93.7	Very high	94.4	Very high	46 Å²	46	29.3 Å²	29.3	32%	0.322	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-72.4	-17.4	176.4	42	0	0	0	0	114.6	S151 K193	S151-S195 WeakPolarHBondContact CB-O 3.34Å; K193-S195 WeakPolarHBondContact CD-OG 3.42Å; K193-S195 WeakPolarHBondContact CE-OG 3.44Å; K193-S195 WeakPolarHBondContact CG-OG 3.33Å; K193-S195 PolarHBondContact O-N 2.81Å; K193-S195 VanDerWaalsContact O-N 3.08Å
196	N	95.8	Very high	94.8	Very high	8 Å²	8	27.9 Å²	27.9	4%	0.043	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-106	9.2	178.5	-70.7	-7.7	0	0	0	113.1	D191 K193 P194 C208	D191-N196 VanDerWaalsContact CG-ND2 3.31Å; D191-N196 PolarHBondContact O-ND2 2.96Å; D191-N196 PolarHBondContact OD2-ND2 3.44Å; K193-N196 WeakPolarHBondContact CE-ND2 3.48Å; K193-N196 HydrophobicContact CG-CB 4.21Å; K193-N196 PolarHBondContact O-N 3.43Å; P194-N196 VanDerWaalsContact C-N 3.29Å; P194-N196 PolarHBondContact O-N 3.29Å; N196-C208 PolarHBondContact O-N 2.87Å; N196-C208 VanDerWaalsContact O-N 3.07Å; N196-C208 PolarHBondContact O-SG 3.36Å
197	I	98.4	Very high	95.2	Very high	4 Å²	4	20.9 Å²	20.9	2%	0.021	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	109.3	171.7	-54.6	165	0	0	0	106.9	S151 L152 V170 V174 K193 P194 I205 L207	S151-I197 CarbonylContact C-O 3.45Å; S151-I197 WeakPolarHBondContact CA-O 3.14Å; L152-I197 HydrophobicContact CB-CB 4.44Å; L152-I197 HydrophobicContact CD1-CB 3.84Å; L152-I197 HydrophobicContact CD1-CD1 4.19Å; L152-I197 HydrophobicContact CD1-CG2 3.45Å; L152-I197 VanDerWaalsContact CD1-CG2 3.45Å; L152-I197 HydrophobicContact CG-CB 4.12Å; L152-I197 HydrophobicContact CG-CG2 3.93Å; L152-I197 PolarHBondContact N-O 3.04Å; V170-I197 HydrophobicContact CG1-CD1 4.48Å; V174-I197 HydrophobicContact CG2-CD1 3.9Å; V174-I197 HydrophobicContact CG2-CG1 4.25Å; V174-I197 HydrophobicContact CG2-CG2 4.48Å; K193-I197 PolarHBondContact O-N 3.34Å; P194-I197 PolarHBondContact O-N 3.48Å; I197-I205 HydrophobicContact CG2-CG2 3.63Å; I197-L207 HydrophobicContact CG1-CD2 3.93Å
198	L	98.4	Very high	95.5	Very high	26 Å²	26	20.3 Å²	20.3	14%	0.136	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	148.9	-176.5	-56	-168.7	0	0	0	111.7	V128 M147 G150 I205 K206 C208	V128-L198 HydrophobicContact CG2-CB 4.28Å; V128-L198 HydrophobicContact CG2-CD1 4.01Å; V128-L198 HydrophobicContact CG2-CG 4.35Å; M147-L198 HydrophobicContact CB-CB 3.82Å; M147-L198 HydrophobicContact CB-CD1 4.12Å; M147-L198 HydrophobicContact CE-CB 4.32Å; M147-L198 HydrophobicContact CG-CB 3.71Å; M147-L198 HydrophobicContact CG-CD1 3.87Å; M147-L198 HydrophobicContact CG-CG 4.46Å; G150-L198 WeakPolarHBondContact O-CA 3.45Å; L198-I205 WeakPolarHBondContact O-CA 3.41Å; L198-K206 PolarHBondContact N-O 3.4Å; L198-K206 PolarHBondContact O-N 3.05Å; L198-C208 HydrophobicContact CD1-CB 4.09Å; L198-C208 HydrophobicContact CG-CB 4.26Å
199	V	98.4	Very high	95.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	155.5	-176	-63.4	0	0	0	0	111.3	M147 G149 G150 L152 E204 I205 F372 L376	M147-V199 WeakPolarHBondContact CB-O 3.46Å; G149-V199 CarbonylContact C-O 3.5Å; G149-V199 WeakPolarHBondContact CA-O 3.48Å; G149-V199 PolarHBondContact N-O 2.91Å; G150-V199 PolarHBondContact N-O 3.21Å; G150-V199 PolarHBondContact O-N 3.14Å; L152-V199 HydrophobicContact CD2-CG1 3.63Å; L152-V199 HydrophobicContact CD2-CG2 4.39Å; L152-V199 HydrophobicContact CG-CG1 4.06Å; V199-E204 VanDerWaalsContact CA-O 3.3Å; V199-E204 WeakPolarHBondContact CA-O 3.42Å; V199-I205 HydrophobicContact CG1-CG1 4.22Å; V199-I205 HydrophobicContact CG1-CG2 4.35Å; V199-F372 HydrophobicContact CB-CE1 4.24Å; V199-F372 HydrophobicContact CB-CZ 4.4Å; V199-F372 HydrophobicContact CG1-CE1 4.06Å; V199-F372 HydrophobicContact CG1-CZ 3.79Å; V199-L376 HydrophobicContact CB-CD1 4.48Å; V199-L376 HydrophobicContact CB-CD2 3.86Å; V199-L376 HydrophobicContact CG2-CD1 3.63Å; V199-L376 HydrophobicContact CG2-CD2 3.75Å; V199-L376 HydrophobicContact CG2-CG 4.36Å
200	N	97.2	Very high	95	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.016	12%	0.116	C	C	.	.			trans	-137.5	163.9	177.6	73.2	19.5	0	0	0	112.8	M147 D148 R202 G203 E204 L376	M147-N200 HydrophobicContact CE-CB 3.92Å; M147-N200 HydrophobicContact SD-CB 4.27Å; D148-N200 WeakPolarHBondContact OD1-CA 3.3Å; D148-N200 WeakPolarHBondContact OD1-CB 3.46Å; N200-R202 PolarHBondContact O-N 3.26Å; N200-R202 WeakPolarHBondContact OD1-CA 3.37Å; N200-R202 WeakPolarHBondContact OD1-CB 3.43Å; N200-R202 PolarHBondContact OD1-N 3.45Å; N200-R202 VanDerWaalsContact OD1-N 3.09Å; N200-G203 PolarHBondContact O-N 3.15Å; N200-G203 PolarHBondContact OD1-N 2.84Å; N200-E204 PolarHBondContact N-O 3.42Å; N200-E204 PolarHBondContact ND2-OE2 3.29Å; N200-E204 WeakPolarHBondContact OD1-CB 3.47Å; N200-E204 PolarHBondContact OD1-N 2.97Å; N200-L376 VanDerWaalsContact O-CD2 3.23Å; N200-L376 WeakPolarHBondContact O-CD2 3.42Å
201	S	95.6	Very high	94.3	Very high	14 Å²	14	20.2 Å²	20.2	10%	0.098	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-9.8	-179.7	61.3	0	0	0	0	114	D148 G203 P385	D148-S201 PolarHBondContact OD1-N 3.29Å; D148-S201 PolarHBondContact OD1-OG 3.09Å; D148-S201 WeakPolarHBondContact OD2-CB 2.94Å; D148-S201 PolarHBondContact OD2-OG 3.24Å; S201-G203 VanDerWaalsContact C-N 3.33Å; S201-P385 WeakPolarHBondContact O-CB 3.24Å
202	R	94.5	Very high	93.6	Very high	97 Å²	97	19.9 Å²	19.9	37%	0.366	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	3	172.8	-55.3	-173.8	-63.3	-138.9	-1.4	113.4	R50 N200 E204	R50-R202 PolarHBondContact NH1-O 3.42Å; R50-R202 PolarHBondContact NH2-O 3.09Å; N200-R202 PolarHBondContact O-N 3.26Å; N200-R202 WeakPolarHBondContact OD1-CA 3.37Å; N200-R202 WeakPolarHBondContact OD1-CB 3.43Å; N200-R202 PolarHBondContact OD1-N 3.45Å; N200-R202 VanDerWaalsContact OD1-N 3.09Å; R202-E204 IonicContact CZ-OE2 3.84Å; R202-E204 IonicContact NE-OE2 2.67Å; R202-E204 PolarHBondContact NE-OE2 2.89Å; R202-E204 IonicContact NH2-OE2 3.88Å; R202-E204 PolarHBondContact NH2-OE2 3.23Å
203	G	95.6	Very high	92.8	Very high	23 Å²	23	20.1 Å²	20.1	24%	0.237	11%	0.112	C	C	.	.			trans	76.9	16.9	-178.9	0	0	0	0	0	115	N200 S201	N200-G203 PolarHBondContact O-N 3.15Å; N200-G203 PolarHBondContact OD1-N 2.84Å; S201-G203 VanDerWaalsContact C-N 3.33Å
204	E	97.6	Very high	91.8	Very high	17 Å²	17	20.3 Å²	20.3	8%	0.079	12%	0.121	C	C	.	.			trans	-80.6	141.2	175.3	-59.6	169.6	90.1	0	0	110.6	R50 M147 V199 N200 R202 K206	R50-E204 IonicContact NH1-OE2 3.72Å; M147-E204 HydrophobicContact CE-CB 4.48Å; V199-E204 VanDerWaalsContact CA-O 3.3Å; V199-E204 WeakPolarHBondContact CA-O 3.42Å; N200-E204 PolarHBondContact N-O 3.42Å; N200-E204 PolarHBondContact ND2-OE2 3.29Å; N200-E204 WeakPolarHBondContact OD1-CB 3.47Å; N200-E204 PolarHBondContact OD1-N 2.97Å; R202-E204 IonicContact CZ-OE2 3.84Å; R202-E204 IonicContact NE-OE2 2.67Å; R202-E204 PolarHBondContact NE-OE2 2.89Å; R202-E204 IonicContact NH2-OE2 3.88Å; R202-E204 PolarHBondContact NH2-OE2 3.23Å; E204-K206 HydrophobicContact CB-CG 4.48Å; E204-K206 WeakPolarHBondContact OE1-CE 3.15Å; E204-K206 IonicContact OE1-NZ 2.77Å; E204-K206 PolarHBondContact OE1-NZ 3.43Å
205	I	98.6	Very high	90.6	Very high	14 Å²	14	23.1 Å²	23.1	7%	0.072	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	119.9	176.9	-52.5	169.8	0	0	0	107.2	K169 V170 A173 I197 L198 V199 F372	K169-I205 HydrophobicContact CB-CD1 4.28Å; V170-I205 HydrophobicContact CG2-CD1 3.97Å; A173-I205 HydrophobicContact CB-CB 3.62Å; A173-I205 HydrophobicContact CB-CD1 4.26Å; A173-I205 HydrophobicContact CB-CG2 3.73Å; I197-I205 HydrophobicContact CG2-CG2 3.63Å; L198-I205 WeakPolarHBondContact O-CA 3.41Å; V199-I205 HydrophobicContact CG1-CG1 4.22Å; V199-I205 HydrophobicContact CG1-CG2 4.35Å; I205-F372 HydrophobicContact CD1-CD2 3.98Å; I205-F372 HydrophobicContact CD1-CE1 4.15Å; I205-F372 HydrophobicContact CD1-CE2 3.52Å; I205-F372 HydrophobicContact CD1-CG 4.47Å; I205-F372 HydrophobicContact CD1-CZ 3.63Å; I205-F372 HydrophobicContact CG1-CD1 4.44Å; I205-F372 HydrophobicContact CG1-CE1 3.82Å; I205-F372 HydrophobicContact CG1-CE2 4.08Å; I205-F372 HydrophobicContact CG1-CZ 3.62Å
206	K	98.7	Very high	89.7	Confident	11 Å²	11	21.6 Å²	21.6	5%	0.048	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	142	-170.5	-58.2	-169.7	-175.3	-175.3	0	112.5	P125 Y126 V128 E145 M147 L198 E204	P125-K206 VanDerWaalsContact O-CE 3.26Å; P125-K206 WeakPolarHBondContact O-CE 3.31Å; P125-K206 WeakPolarHBondContact O-CG 3.26Å; Y126-K206 WeakPolarHBondContact O-CA 3.47Å; V128-K206 HydrophobicContact CG2-CB 3.53Å; E145-K206 VanDerWaalsContact CD-NZ 3.34Å; E145-K206 WeakPolarHBondContact OE1-CD 3.47Å; E145-K206 WeakPolarHBondContact OE1-CE 3.49Å; E145-K206 IonicContact OE1-NZ 2.62Å; E145-K206 PolarHBondContact OE1-NZ 3.03Å; E145-K206 IonicContact OE2-NZ 3.1Å; E145-K206 PolarHBondContact OE2-NZ 2.94Å; E145-K206 VanDerWaalsContact OE2-NZ 3.11Å; M147-K206 HydrophobicContact CE-CB 4.12Å; M147-K206 HydrophobicContact CE-CD 4Å; M147-K206 HydrophobicContact CE-CG 3.93Å; M147-K206 HydrophobicContact SD-CD 4.22Å; L198-K206 PolarHBondContact N-O 3.4Å; L198-K206 PolarHBondContact O-N 3.05Å; E204-K206 HydrophobicContact CB-CG 4.48Å; E204-K206 WeakPolarHBondContact OE1-CE 3.15Å; E204-K206 IonicContact OE1-NZ 2.77Å; E204-K206 PolarHBondContact OE1-NZ 3.43Å
207	L	98.2	Very high	88.7	Confident	2 Å²	2	23 Å²	23	1%	0.01	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	139.3	173.7	-63.5	172.3	0	0	0	111	Y126 I127 V128 V174 L178 I197	Y126-L207 PolarHBondContact O-N 2.79Å; I127-L207 HydrophobicContact CD1-CB 4.11Å; V128-L207 WeakPolarHBondContact CG2-O 3.32Å; V128-L207 PolarHBondContact N-O 3.23Å; V174-L207 HydrophobicContact CG1-CD2 4.35Å; V174-L207 HydrophobicContact CG2-CD2 4.19Å; L178-L207 HydrophobicContact CD2-CD1 4.06Å; L178-L207 HydrophobicContact CG-CD1 4.12Å; I197-L207 HydrophobicContact CG1-CD2 3.93Å
208	C	94.6	Very high	87.4	Confident	8 Å²	8	27.1 Å²	27.1	5%	0.054	15%	0.152	C	C	.	.			trans	-127.1	174.7	171.4	69.8	0	0	0	0	111.3	V128 H189 N196 L198 F210	V128-C208 HydrophobicContact CB-CB 4.14Å; V128-C208 HydrophobicContact CG2-CB 3.85Å; H189-C208 PolarHBondContact CE1-O 2.88Å; H189-C208 PolarHBondContact NE2-O 3.05Å; N196-C208 PolarHBondContact O-N 2.87Å; N196-C208 VanDerWaalsContact O-N 3.07Å; N196-C208 PolarHBondContact O-SG 3.36Å; L198-C208 HydrophobicContact CD1-CB 4.09Å; L198-C208 HydrophobicContact CG-CB 4.26Å; C208-F210 PolarHBondContact O-N 3.04Å; C208-F210 VanDerWaalsContact O-N 3.13Å
209	D	86.4	Confident	86	Confident	60 Å²	60	27.2 Å²	27.2	32%	0.321	15%	0.154	S	C	.	.	S	Bend	trans	55.4	34	171.7	-74.6	-24.2	0	0	0	114.7	K98	K98-D209 IonicContact NZ-OD1 3.11Å; K98-D209 PolarHBondContact NZ-OD1 2.7Å; K98-D209 IonicContact NZ-OD2 3.06Å; K98-D209 PolarHBondContact NZ-OD2 3.11Å
210	F	85.1	Confident	84.5	Confident	20 Å²	20	29.5 Å²	29.5	9%	0.088	17%	0.166	C	C	.	.			trans	-79	149.8	174.5	55	-86.3	0	0	0	112.2	L119 C122 I127 L181 I187 H189 C208 V212	L119-F210 HydrophobicContact CD2-CD2 4.36Å; L119-F210 HydrophobicContact CD2-CE1 4.04Å; L119-F210 HydrophobicContact CD2-CE2 3.41Å; L119-F210 VanDerWaalsContact CD2-CE2 3.41Å; L119-F210 HydrophobicContact CD2-CZ 3.2Å; C122-F210 HydrophobicContact CB-CZ 4.08Å; I127-F210 HydrophobicContact CG2-CE1 3.5Å; I127-F210 HydrophobicContact CG2-CZ 3.8Å; L181-F210 HydrophobicContact CD1-CB 3.99Å; L181-F210 HydrophobicContact CD1-CD1 4.34Å; L181-F210 HydrophobicContact CD1-CD2 4.11Å; L181-F210 HydrophobicContact CD1-CG 3.91Å; L181-F210 HydrophobicContact CD2-CD2 3.72Å; L181-F210 HydrophobicContact CD2-CE1 4.44Å; L181-F210 HydrophobicContact CD2-CE2 3.53Å; L181-F210 HydrophobicContact CD2-CG 4.22Å; L181-F210 HydrophobicContact CD2-CZ 3.93Å; I187-F210 HydrophobicContact CG2-CD2 4.06Å; H189-F210 HydrophobicContact CB-CB 4.22Å; C208-F210 PolarHBondContact O-N 3.04Å; C208-F210 VanDerWaalsContact O-N 3.13Å; F210-V212 HydrophobicContact CD2-CG2 3.33Å; F210-V212 HydrophobicContact CE2-CG2 3.25Å; F210-V212 HydrophobicContact CG-CG2 4.45Å; F210-V212 HydrophobicContact CZ-CG2 4.3Å; F210-V212 PolarHBondContact O-N 2.93Å
211	G	77.5	Confident	82.7	Confident	16 Å²	16	31.5 Å²	31.5	17%	0.165	18%	0.183	C	C	.	.			trans	-73.8	70.4	-168.4	0	0	0	0	0	116.4	H189	H189-G211 PolarHBondContact O-N 3Å
212	V	75	Confident	80.6	Confident	25 Å²	25	38 Å²	38	15%	0.152	22%	0.216	C	C	.	.			trans	-77.9	-40.2	178.9	-174.9	0	0	0	0	113	E115 V118 L119 I187 F210	E115-V212 VanDerWaalsContact O-CG1 3.3Å; E115-V212 WeakPolarHBondContact O-CG1 3.33Å; V118-V212 HydrophobicContact CB-CG1 3.82Å; V118-V212 HydrophobicContact CG1-CG1 4.21Å; L119-V212 HydrophobicContact CD2-CB 4.41Å; L119-V212 HydrophobicContact CD2-CG2 3.46Å; L119-V212 VanDerWaalsContact CD2-CG2 3.46Å; L119-V212 HydrophobicContact CG-CB 4.5Å; L119-V212 HydrophobicContact CG-CG2 4.03Å; I187-V212 HydrophobicContact CD1-CG1 4.48Å; I187-V212 HydrophobicContact CD1-CG2 4.17Å; F210-V212 HydrophobicContact CD2-CG2 3.33Å; F210-V212 HydrophobicContact CE2-CG2 3.25Å; F210-V212 HydrophobicContact CG-CG2 4.45Å; F210-V212 HydrophobicContact CZ-CG2 4.3Å; F210-V212 PolarHBondContact O-N 2.93Å
213	S	77.2	Confident	78.5	Confident	4 Å²	4	36.5 Å²	36.5	3%	0.028	22%	0.221	C	C	.	.			trans	-103.5	111.8	180	175.4	0	0	0	0	111.2	E115 Q215 L216 I217	E115-S213 WeakPolarHBondContact OE2-CA 3.38Å; E115-S213 WeakPolarHBondContact OE2-CB 3.46Å; E115-S213 PolarHBondContact OE2-OG 3.08Å; S213-Q215 VanDerWaalsContact C-N 3.28Å; S213-Q215 PolarHBondContact O-N 3.45Å; S213-L216 PolarHBondContact O-N 3.4Å; S213-L216 WeakPolarHBondContact OG-CB 3.12Å; S213-L216 PolarHBondContact OG-N 3.02Å; S213-I217 WeakPolarHBondContact O-CD1 3.01Å; S213-I217 VanDerWaalsContact O-CG1 3.27Å; S213-I217 WeakPolarHBondContact O-CG1 3.29Å; S213-I217 PolarHBondContact O-N 2.82Å
214	G	74.6	Confident	76.6	Confident	27 Å²	27	38.9 Å²	38.9	28%	0.278	23%	0.225	S	C	.	.	H	α-helix	trans	-61.4	-39.8	173.5	0	0	0	0	0	111.5	E115 L216 I217 D218	E115-G214 PolarHBondContact OE2-N 2.79Å; G214-L216 PolarHBondContact O-N 2.5Å; G214-I217 WeakPolarHBondContact O-CB 3.38Å; G214-I217 PolarHBondContact O-N 3.43Å; G214-D218 WeakPolarHBondContact O-CB 3.45Å; G214-D218 VanDerWaalsContact O-CG 3.22Å; G214-D218 PolarHBondContact O-N 2.96Å
215	Q	71.6	Confident	74.2	Confident	61 Å²	61	41.6 Å²	41.6	29%	0.285	24%	0.242	S	C	.	.	H	α-helix	trans	-64.8	-39.7	177	-69	-62.2	-28.8	0	0	112.7	I108 Q111 I112 S213 D218 S219	I108-Q215 HydrophobicContact CG2-CB 4.47Å; Q111-Q215 HydrophobicContact CG-CG 4.17Å; I112-Q215 HydrophobicContact CD1-CB 4.41Å; I112-Q215 HydrophobicContact CG1-CB 3.78Å; S213-Q215 VanDerWaalsContact C-N 3.28Å; S213-Q215 PolarHBondContact O-N 3.45Å; Q215-D218 PolarHBondContact O-N 3.35Å; Q215-S219 VanDerWaalsContact O-CB 3.26Å; Q215-S219 WeakPolarHBondContact O-CB 3.37Å; Q215-S219 PolarHBondContact O-N 3.35Å; Q215-S219 PolarHBondContact O-OG 2.72Å
216	L	75.4	Confident	71.9	Confident	13 Å²	13	43.1 Å²	43.1	7%	0.068	26%	0.261	C	S	.	.	H	α-helix	trans	-65.4	-44	174.6	-176	60.7	0	0	0	110.4	I100 L102 I112 L116 S213 G214 S219 M220	I100-L216 HydrophobicContact CD1-CD1 4.43Å; I100-L216 HydrophobicContact CD1-CD2 4.33Å; L102-L216 HydrophobicContact CD1-CD1 3.5Å; I112-L216 HydrophobicContact CD1-CB 4.25Å; I112-L216 HydrophobicContact CD1-CD1 4.25Å; I112-L216 HydrophobicContact CG1-CB 4.28Å; I112-L216 HydrophobicContact CG2-CB 4.04Å; I112-L216 HydrophobicContact CG2-CD1 4.26Å; I112-L216 HydrophobicContact CG2-CD2 4.38Å; I112-L216 HydrophobicContact CG2-CG 4.46Å; L116-L216 HydrophobicContact CD2-CD2 4.4Å; S213-L216 PolarHBondContact O-N 3.4Å; S213-L216 WeakPolarHBondContact OG-CB 3.12Å; S213-L216 PolarHBondContact OG-N 3.02Å; G214-L216 PolarHBondContact O-N 2.5Å; L216-S219 PolarHBondContact O-N 2.82Å; L216-M220 HydrophobicContact CD1-CG 4.39Å; L216-M220 HydrophobicContact CD1-SD 4.35Å; L216-M220 HydrophobicContact CG-CE 4.03Å; L216-M220 HydrophobicContact CG-SD 4.29Å; L216-M220 WeakPolarHBondContact O-CB 3.31Å; L216-M220 VanDerWaalsContact O-CG 3.29Å; L216-M220 WeakPolarHBondContact O-CG 3.38Å; L216-M220 PolarHBondContact O-N 2.7Å
217	I	73.6	Confident	70	Confident	38 Å²	38	44.6 Å²	44.6	20%	0.195	27%	0.271	C	S	.	.	H	α-helix	trans	-58.4	-49.8	175.4	-68.2	162.3	0	0	0	110.5	S213 G214 S219 M220 A221	S213-I217 WeakPolarHBondContact O-CD1 3.01Å; S213-I217 VanDerWaalsContact O-CG1 3.27Å; S213-I217 WeakPolarHBondContact O-CG1 3.29Å; S213-I217 PolarHBondContact O-N 2.82Å; G214-I217 WeakPolarHBondContact O-CB 3.38Å; G214-I217 PolarHBondContact O-N 3.43Å; I217-S219 VanDerWaalsContact C-N 3.31Å; I217-S219 PolarHBondContact O-N 3.37Å; I217-M220 CarbonylContact O-C 3.3Å; I217-M220 PolarHBondContact O-N 2.75Å; I217-A221 WeakPolarHBondContact O-CB 3.45Å; I217-A221 PolarHBondContact O-N 2.94Å
218	D	71	Confident	68.5	Low	91 Å²	91	48.3 Å²	48.3	49%	0.487	29%	0.285	S	S	.	.	H	α-helix	trans	-64.4	-38.4	-178.3	-67.6	-19.8	0	0	0	111.4	G214 Q215 M220 A221 N222	G214-D218 WeakPolarHBondContact O-CB 3.45Å; G214-D218 VanDerWaalsContact O-CG 3.22Å; G214-D218 PolarHBondContact O-N 2.96Å; Q215-D218 PolarHBondContact O-N 3.35Å; D218-M220 VanDerWaalsContact C-N 3.33Å; D218-M220 PolarHBondContact O-N 2.98Å; D218-A221 PolarHBondContact O-N 2.96Å; D218-N222 PolarHBondContact O-N 2.93Å; D218-N222 PolarHBondContact O-ND2 2.95Å
219	S	69	Low	68	Low	28 Å²	28	48.9 Å²	48.9	20%	0.196	29%	0.289	C	S	.	.	H	α-helix	trans	-65.4	-34.8	176.1	-59.1	0	0	0	0	112.3	Q215 L216 I217	Q215-S219 VanDerWaalsContact O-CB 3.26Å; Q215-S219 WeakPolarHBondContact O-CB 3.37Å; Q215-S219 PolarHBondContact O-N 3.35Å; Q215-S219 PolarHBondContact O-OG 2.72Å; L216-S219 PolarHBondContact O-N 2.82Å; I217-S219 VanDerWaalsContact C-N 3.31Å; I217-S219 PolarHBondContact O-N 3.37Å
220	M	68.4	Low	68.3	Low	48 Å²	48	47.4 Å²	47.4	24%	0.236	28%	0.279	C	S	.	.	H	α-helix	trans	-83.7	-30.1	174.8	-65.8	-173.5	-52.2	0	0	113	L216 I217 D218 N222 S223 F224	L216-M220 HydrophobicContact CD1-CG 4.39Å; L216-M220 HydrophobicContact CD1-SD 4.35Å; L216-M220 HydrophobicContact CG-CE 4.03Å; L216-M220 HydrophobicContact CG-SD 4.29Å; L216-M220 WeakPolarHBondContact O-CB 3.31Å; L216-M220 VanDerWaalsContact O-CG 3.29Å; L216-M220 WeakPolarHBondContact O-CG 3.38Å; L216-M220 PolarHBondContact O-N 2.7Å; I217-M220 CarbonylContact O-C 3.3Å; I217-M220 PolarHBondContact O-N 2.75Å; D218-M220 VanDerWaalsContact C-N 3.33Å; D218-M220 PolarHBondContact O-N 2.98Å; M220-N222 VanDerWaalsContact C-N 3.28Å; M220-N222 PolarHBondContact O-N 3.02Å; M220-S223 PolarHBondContact O-N 3.09Å; M220-S223 PolarHBondContact O-OG 2.74Å; M220-F224 HydrophobicContact CB-CD2 4.45Å; M220-F224 WeakPolarHBondContact O-CD2 3.2Å
221	A	59	Low	68.6	Low	45 Å²	45	48 Å²	48	37%	0.372	28%	0.283	S	S	.	.	H	α-helix	trans	-69.7	-27.5	-174.3	0	0	0	0	0	112.6	I217 D218 S223 R228	I217-A221 WeakPolarHBondContact O-CB 3.45Å; I217-A221 PolarHBondContact O-N 2.94Å; D218-A221 PolarHBondContact O-N 2.96Å; A221-S223 PolarHBondContact O-N 2.85Å; A221-R228 PolarHBondContact O-NH2 3.05Å
222	N	50.8	Low	69.4	Low	150 Å²	150	47.2 Å²	47.2	80%	0.802	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-12	176	-74	-28.5	0	0	0	113.7	D218 M220	D218-N222 PolarHBondContact O-N 2.93Å; D218-N222 PolarHBondContact O-ND2 2.95Å; M220-N222 VanDerWaalsContact C-N 3.28Å; M220-N222 PolarHBondContact O-N 3.02Å
223	S	50.6	Low	70.3	Confident	66 Å²	66	46.2 Å²	46.2	46%	0.462	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116	-11.9	-172.7	34.2	0	0	0	0	115.5	M220 A221	M220-S223 PolarHBondContact O-N 3.09Å; M220-S223 PolarHBondContact O-OG 2.74Å; A221-S223 PolarHBondContact O-N 2.85Å
224	F	54.9	Low	71.1	Confident	73 Å²	73	46.3 Å²	46.3	32%	0.32	27%	0.269	S	S	.	.			trans	-135.5	134.1	-166.5	-52.9	-64.1	0	0	0	117	N79 M220 R228	N79-F224 HydrophobicContact CB-CB 4.11Å; N79-F224 HydrophobicContact CB-CD1 4.09Å; N79-F224 HydrophobicContact CB-CD2 4.08Å; N79-F224 HydrophobicContact CB-CG 3.81Å; N79-F224 WeakPolarHBondContact O-CE2 3.22Å; N79-F224 VanDerWaalsContact O-CZ 3.26Å; N79-F224 WeakPolarHBondContact O-CZ 3.22Å; M220-F224 HydrophobicContact CB-CD2 4.45Å; M220-F224 WeakPolarHBondContact O-CD2 3.2Å; F224-R228 PolarHBondContact O-NH2 3.49Å
225	V	47.8	Very low	71.8	Confident	74 Å²	74	47.2 Å²	47.2	45%	0.448	26%	0.264	S	S	.	.	S	Bend	trans	-101	-29.3	-174.5	174.7	0	0	0	0	112.7	R228 I312	V225-R228 WeakPolarHBondContact O-CG 3.49Å; V225-I312 HydrophobicContact CG1-CB 3.92Å; V225-I312 HydrophobicContact CG1-CD1 4.4Å; V225-I312 HydrophobicContact CG1-CG1 3.56Å; V225-I312 HydrophobicContact CG1-CG2 3.7Å
226	G	50.3	Low	72.6	Confident	46 Å²	46	46.5 Å²	46.5	47%	0.474	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-77.1	-18.9	-172.9	0	0	0	0	0	116.2	R228	G226-R228 PolarHBondContact O-N 3.47Å
227	T	58.6	Low	73.1	Confident	41 Å²	41	51.6 Å²	51.6	25%	0.252	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-75.5	-4.7	177.7	-51.2	0	0	0	0	112.6	N79 D191	N79-T227 PolarHBondContact ND2-OG1 3.26Å; N79-T227 VanDerWaalsContact ND2-OG1 3.08Å; D191-T227 WeakPolarHBondContact OD1-CG2 3.27Å
228	R	67.8	Low	73.6	Confident	80 Å²	80	53 Å²	53	30%	0.302	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-86.8	-16.4	-172.1	-51.3	-157.8	175.7	116.8	2.4	114.3	A221 F224 V225 G226 Y230 M231 L316	A221-R228 PolarHBondContact O-NH2 3.05Å; F224-R228 PolarHBondContact O-NH2 3.49Å; V225-R228 WeakPolarHBondContact O-CG 3.49Å; G226-R228 PolarHBondContact O-N 3.47Å; R228-Y230 PolarHBondContact O-N 3.37Å; R228-M231 HydrophobicContact CB-CE 3.52Å; R228-M231 HydrophobicContact CG-CE 3.28Å; R228-M231 WeakPolarHBondContact O-CB 3.17Å; R228-M231 PolarHBondContact O-N 3.33Å; R228-L316 HydrophobicContact CB-CD2 3.88Å
229	S	82.8	Confident	74.1	Confident	20 Å²	20	51.7 Å²	51.7	14%	0.14	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-25.6	-172.8	-52.2	0	0	0	0	114.7	L252 L315 I319	S229-L252 WeakPolarHBondContact O-CD2 3.13Å; S229-L315 WeakPolarHBondContact OG-CD2 3.33Å; S229-I319 WeakPolarHBondContact O-CD1 3.42Å
230	Y	92.7	Very high	74.6	Confident	30 Å²	30	59.1 Å²	59.1	12%	0.118	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-1.8	178	-58	-93.9	0	0	0	113	K193 R228 S249 L252 E256 F262	K193-Y230 HydrophobicContact CB-CD1 4.15Å; K193-Y230 HydrophobicContact CB-CD2 3.87Å; K193-Y230 HydrophobicContact CB-CE1 4.22Å; K193-Y230 HydrophobicContact CB-CE2 3.95Å; K193-Y230 HydrophobicContact CB-CG 3.98Å; K193-Y230 HydrophobicContact CD-CD2 4.21Å; K193-Y230 HydrophobicContact CD-CE2 4.28Å; R228-Y230 PolarHBondContact O-N 3.37Å; Y230-S249 PolarHBondContact O-OG 3.08Å; Y230-L252 HydrophobicContact CD1-CB 4.37Å; Y230-L252 HydrophobicContact CD1-CD2 3.9Å; Y230-L252 HydrophobicContact CD1-CG 4.36Å; Y230-L252 HydrophobicContact CG-CD2 4.41Å; Y230-E256 WeakPolarHBondContact CE1-OE2 3.49Å; Y230-E256 VanDerWaalsContact OH-CD 3.26Å; Y230-E256 PolarHBondContact OH-OE1 3.48Å; Y230-E256 PolarHBondContact OH-OE2 3.02Å; Y230-F262 HydrophobicContact CD1-CE2 4.31Å; Y230-F262 HydrophobicContact CE1-CD2 4.15Å; Y230-F262 AromaticContact CE1-CE2 3.86Å; Y230-F262 HydrophobicContact CE1-CE2 3.86Å; Y230-F262 HydrophobicContact CE2-CE2 4.31Å; Y230-F262 AromaticContact CZ-CD2 3.97Å; Y230-F262 AromaticContact CZ-CE2 3.86Å
231	M	91.8	Very high	75.2	Confident	32 Å²	32	60.1 Å²	60.1	16%	0.158	34%	0.337	C	S	.	.			trans	-65.5	141.9	179.8	-77.4	-159.1	-108.2	0	0	111.1	R228 R235 L236 W248	R228-M231 HydrophobicContact CB-CE 3.52Å; R228-M231 HydrophobicContact CG-CE 3.28Å; R228-M231 WeakPolarHBondContact O-CB 3.17Å; R228-M231 PolarHBondContact O-N 3.33Å; M231-R235 HydrophobicContact SD-CB 4.37Å; M231-L236 HydrophobicContact CB-CD2 3.84Å; M231-L236 HydrophobicContact CB-CG 4.05Å; M231-L236 HydrophobicContact CE-CD2 4.46Å; M231-L236 HydrophobicContact SD-CD2 4.34Å; M231-W248 PolarHBondContact O-NE1 2.97Å
232	S	94.1	Very high	76.7	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.332	C	S	.	.			trans	-71.1	154.7	176.2	63.7	0	0	0	0	112.2	E234 R235 L236 S245 W248	S232-E234 VanDerWaalsContact C-N 3.25Å; S232-E234 VanDerWaalsContact CB-CD 3.42Å; S232-E234 WeakPolarHBondContact CB-OE1 3.21Å; S232-E234 VanDerWaalsContact CB-OE2 3.28Å; S232-E234 WeakPolarHBondContact CB-OE2 3.46Å; S232-E234 PolarHBondContact O-N 2.57Å; S232-E234 PolarHBondContact OG-OE1 3.47Å; S232-E234 PolarHBondContact OG-OE2 2.95Å; S232-R235 PolarHBondContact O-N 3.48Å; S232-R235 VanDerWaalsContact O-N 3.11Å; S232-L236 PolarHBondContact O-N 2.85Å; S232-L236 VanDerWaalsContact O-N 3.16Å; S232-S245 WeakPolarHBondContact OG-CB 3.38Å; S232-S245 PolarHBondContact OG-OG 3.05Å; S232-S245 VanDerWaalsContact OG-OG 3.09Å; S232-W248 VanDerWaalsContact CA-CD1 3.44Å
233	P	94.5	Very high	78.6	Confident	4 Å²	4	53.3 Å²	53.3	3%	0.026	30%	0.298	C	S	.	.	H	α-helix	trans	-55.1	-41.6	-178.8	-24.5	33.1	0	0	0	112.5	R235 L236 Q237 W248 I319 K345	P233-R235 VanDerWaalsContact C-N 3.31Å; P233-R235 PolarHBondContact O-N 3.29Å; P233-L236 PolarHBondContact O-N 2.88Å; P233-Q237 WeakPolarHBondContact O-CG 3.48Å; P233-Q237 PolarHBondContact O-N 3.12Å; P233-W248 HydrophobicContact CG-CE3 4.32Å; P233-W248 HydrophobicContact CG-CH2 3.71Å; P233-W248 HydrophobicContact CG-CZ2 3.97Å; P233-W248 HydrophobicContact CG-CZ3 3.88Å; P233-I319 HydrophobicContact CB-CG2 4.46Å; P233-I319 HydrophobicContact CG-CG2 3.9Å; P233-K345 HydrophobicContact CG-CB 4.41Å; P233-K345 HydrophobicContact CG-CG 4.34Å
234	E	93.5	Very high	80.8	Confident	6 Å²	6	51.2 Å²	51.2	3%	0.028	28%	0.281	C	S	.	.	H	α-helix	trans	-67.2	-29.4	-177.5	73.9	-83.2	176.9	0	0	113.2	S232 G238 T239 S245 P347 R350	S232-E234 VanDerWaalsContact C-N 3.25Å; S232-E234 VanDerWaalsContact CB-CD 3.42Å; S232-E234 WeakPolarHBondContact CB-OE1 3.21Å; S232-E234 VanDerWaalsContact CB-OE2 3.28Å; S232-E234 WeakPolarHBondContact CB-OE2 3.46Å; S232-E234 PolarHBondContact O-N 2.57Å; S232-E234 PolarHBondContact OG-OE1 3.47Å; S232-E234 PolarHBondContact OG-OE2 2.95Å; E234-G238 PolarHBondContact O-N 2.96Å; E234-T239 WeakPolarHBondContact CB-OG1 3.36Å; E234-T239 PolarHBondContact O-N 3.28Å; E234-T239 VanDerWaalsContact O-N 3.08Å; E234-T239 PolarHBondContact O-OG1 2.96Å; E234-S245 WeakPolarHBondContact OE1-CA 3.48Å; E234-S245 WeakPolarHBondContact OE1-CB 3.29Å; E234-S245 PolarHBondContact OE1-OG 3.25Å; E234-P347 HydrophobicContact CB-CG 4.09Å; E234-P347 HydrophobicContact CG-CB 4.17Å; E234-P347 HydrophobicContact CG-CG 4Å; E234-R350 IonicContact OE1-CZ 3.66Å; E234-R350 IonicContact OE1-NH1 3.98Å; E234-R350 PolarHBondContact OE1-NH1 3.08Å; E234-R350 IonicContact OE1-NH2 2.79Å; E234-R350 IonicContact OE2-CZ 2.84Å; E234-R350 IonicContact OE2-NH1 2.72Å; E234-R350 PolarHBondContact OE2-NH1 3.3Å; E234-R350 IonicContact OE2-NH2 2.94Å; E234-R350 PolarHBondContact OE2-NH2 3.19Å
235	R	90.1	Very high	82.7	Confident	45 Å²	45	47.8 Å²	47.8	17%	0.17	27%	0.266	C	S	.	.	H	α-helix	trans	-73.4	-40.5	172.5	-89.7	-177.3	84.4	-165.7	5.4	111.5	R190 M231 S232 P233 Q237 G238 Y241	R190-R235 PolarHBondContact O-NH1 3.32Å; M231-R235 HydrophobicContact SD-CB 4.37Å; S232-R235 PolarHBondContact O-N 3.48Å; S232-R235 VanDerWaalsContact O-N 3.11Å; P233-R235 VanDerWaalsContact C-N 3.31Å; P233-R235 PolarHBondContact O-N 3.29Å; R235-Q237 VanDerWaalsContact C-N 3.26Å; R235-Q237 PolarHBondContact O-N 3.4Å; R235-G238 PolarHBondContact O-N 3.31Å; R235-G238 VanDerWaalsContact O-N 3.1Å; R235-Y241 HydrophobicContact CG-CD1 3.76Å; R235-Y241 HydrophobicContact CG-CD2 3.9Å; R235-Y241 HydrophobicContact CG-CE1 4.4Å; R235-Y241 HydrophobicContact CG-CG 3.48Å; R235-Y241 VanDerWaalsContact CG-CG 3.48Å
236	L	88.4	Confident	85	Confident	47 Å²	47	44.4 Å²	44.4	25%	0.246	25%	0.245	C	C	.	.	H	α-helix	trans	-65.2	-32.8	178.9	-65.8	177.2	0	0	0	112.1	M231 S232 P233 G238 L316 I319 V320	M231-L236 HydrophobicContact CB-CD2 3.84Å; M231-L236 HydrophobicContact CB-CG 4.05Å; M231-L236 HydrophobicContact CE-CD2 4.46Å; M231-L236 HydrophobicContact SD-CD2 4.34Å; S232-L236 PolarHBondContact O-N 2.85Å; S232-L236 VanDerWaalsContact O-N 3.16Å; P233-L236 PolarHBondContact O-N 2.88Å; L236-G238 VanDerWaalsContact C-N 3.29Å; L236-L316 HydrophobicContact CD1-CB 4.35Å; L236-L316 HydrophobicContact CD1-CD2 3.94Å; L236-L316 HydrophobicContact CD2-CD1 4.44Å; L236-L316 HydrophobicContact CD2-CD2 3.82Å; L236-I319 HydrophobicContact CD1-CB 3.98Å; L236-I319 HydrophobicContact CD1-CD1 4.26Å; L236-I319 HydrophobicContact CD1-CG2 3.66Å; L236-V320 HydrophobicContact CB-CG2 3.87Å; L236-V320 HydrophobicContact CD1-CG2 3.99Å
237	Q	86	Confident	87.3	Confident	119 Å²	119	42.2 Å²	42.2	56%	0.556	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-5.2	174.8	-67.3	176.3	-26.6	0	0	113.9	P233 R235 T239 V320	P233-Q237 WeakPolarHBondContact O-CG 3.48Å; P233-Q237 PolarHBondContact O-N 3.12Å; R235-Q237 VanDerWaalsContact C-N 3.26Å; R235-Q237 PolarHBondContact O-N 3.4Å; Q237-T239 VanDerWaalsContact C-N 3.32Å; Q237-T239 HydrophobicContact CB-CG2 4.22Å; Q237-T239 PolarHBondContact O-N 3.1Å; Q237-V320 HydrophobicContact CG-CG1 3.95Å; Q237-V320 HydrophobicContact CG-CG2 4.37Å
238	G	82.8	Confident	89.2	Confident	67 Å²	67	40.3 Å²	40.3	69%	0.691	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.6	17.9	178.8	0	0	0	0	0	115.1	E234 R235 L236	E234-G238 PolarHBondContact O-N 2.96Å; R235-G238 PolarHBondContact O-N 3.31Å; R235-G238 VanDerWaalsContact O-N 3.1Å; L236-G238 VanDerWaalsContact C-N 3.29Å
239	T	81.3	Confident	90.6	Very high	65 Å²	65	36.6 Å²	36.6	40%	0.399	20%	0.197	S	C	.	.			trans	-76.9	170.2	175.6	66.9	0	0	0	0	111.8	E234 Q237 Y241	E234-T239 WeakPolarHBondContact CB-OG1 3.36Å; E234-T239 PolarHBondContact O-N 3.28Å; E234-T239 VanDerWaalsContact O-N 3.08Å; E234-T239 PolarHBondContact O-OG1 2.96Å; Q237-T239 VanDerWaalsContact C-N 3.32Å; Q237-T239 HydrophobicContact CB-CG2 4.22Å; Q237-T239 PolarHBondContact O-N 3.1Å; T239-Y241 PolarHBondContact O-N 2.84Å
240	H	79.6	Confident	91.4	Very high	183 Å²	183	35.9 Å²	35.9	85%	0.847	19%	0.192	S	C	*	.			trans	-62.6	123.2	174.5	-169.4	75.8	0	0	0	110.3
241	Y	82.8	Confident	91.7	Very high	69 Å²	69	34.4 Å²	34.4	27%	0.271	19%	0.186	S	C	.	.			trans	-117.2	154.3	-177.5	65.5	-91.7	0	0	0	111.2	M188 R190 R235 T239 S245	M188-Y241 HydrophobicContact CE-CD2 4.2Å; M188-Y241 HydrophobicContact CE-CE2 3.86Å; M188-Y241 HydrophobicContact SD-CD2 4.35Å; R190-Y241 HydrophobicContact CG-CE2 4.47Å; R235-Y241 HydrophobicContact CG-CD1 3.76Å; R235-Y241 HydrophobicContact CG-CD2 3.9Å; R235-Y241 HydrophobicContact CG-CE1 4.4Å; R235-Y241 HydrophobicContact CG-CG 3.48Å; R235-Y241 VanDerWaalsContact CG-CG 3.48Å; T239-Y241 PolarHBondContact O-N 2.84Å; Y241-S245 WeakPolarHBondContact CB-OG 3.34Å
242	S	89.4	Confident	92	Very high	37 Å²	37	32.9 Å²	32.9	26%	0.259	18%	0.179	S	C	.	.			trans	-138	-166.5	-176.3	73.7	0	0	0	0	110.1	M188 Q244 S245	M188-S242 WeakPolarHBondContact SD-CA 3.42Å; S242-Q244 PolarHBondContact O-N 2.86Å; S242-Q244 VanDerWaalsContact OG-CG 3.3Å; S242-Q244 WeakPolarHBondContact OG-CG 3.31Å; S242-Q244 PolarHBondContact OG-N 3.41Å; S242-S245 WeakPolarHBondContact O-CB 3.45Å; S242-S245 PolarHBondContact O-N 3.27Å; S242-S245 PolarHBondContact O-OG 3.24Å
243	V	91.7	Very high	92.2	Very high	16 Å²	16	33 Å²	33	10%	0.097	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-20.8	172.3	71.3	0	0	0	0	112.7	S245 D246 I247 L353	V243-S245 PolarHBondContact O-N 2.98Å; V243-S245 VanDerWaalsContact O-N 3.16Å; V243-D246 WeakPolarHBondContact O-CB 3.29Å; V243-D246 PolarHBondContact O-N 2.81Å; V243-I247 PolarHBondContact O-N 3.16Å; V243-L353 HydrophobicContact CG2-CD1 3.73Å; V243-L353 HydrophobicContact CG2-CG 4.24Å
244	Q	96.3	Very high	92.4	Very high	21 Å²	21	32.9 Å²	32.9	10%	0.098	18%	0.178	C	C	.	.	H	α-helix	trans	-55.1	-33.4	173.5	-60.7	-58.8	94.2	0	0	112.1	S242 D246 I247 W248 P347 R350 A351	S242-Q244 PolarHBondContact O-N 2.86Å; S242-Q244 VanDerWaalsContact OG-CG 3.3Å; S242-Q244 WeakPolarHBondContact OG-CG 3.31Å; S242-Q244 PolarHBondContact OG-N 3.41Å; Q244-D246 VanDerWaalsContact C-N 3.33Å; Q244-I247 WeakPolarHBondContact O-CB 3.27Å; Q244-I247 PolarHBondContact O-N 2.89Å; Q244-W248 PolarHBondContact O-N 2.81Å; Q244-W248 VanDerWaalsContact O-N 3.15Å; Q244-P347 HydrophobicContact CB-CB 4.03Å; Q244-P347 HydrophobicContact CG-CB 4.49Å; Q244-P347 WeakPolarHBondContact CG-O 3.3Å; Q244-P347 PolarHBondContact NE2-O 3.3Å; Q244-R350 VanDerWaalsContact C-NH1 3.29Å; Q244-R350 PolarHBondContact NE2-O 3.48Å; Q244-R350 WeakPolarHBondContact O-CD 3.45Å; Q244-R350 PolarHBondContact O-NH1 2.81Å; Q244-A351 PolarHBondContact NE2-O 2.98Å
245	S	95.2	Very high	92.6	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.007	18%	0.177	C	C	.	.	H	α-helix	trans	-69.5	-31.4	177.6	-53.6	0	0	0	0	112.9	S232 E234 Y241 S242 V243 I247 S249	S232-S245 WeakPolarHBondContact OG-CB 3.38Å; S232-S245 PolarHBondContact OG-OG 3.05Å; S232-S245 VanDerWaalsContact OG-OG 3.09Å; E234-S245 WeakPolarHBondContact OE1-CA 3.48Å; E234-S245 WeakPolarHBondContact OE1-CB 3.29Å; E234-S245 PolarHBondContact OE1-OG 3.25Å; Y241-S245 WeakPolarHBondContact CB-OG 3.34Å; S242-S245 WeakPolarHBondContact O-CB 3.45Å; S242-S245 PolarHBondContact O-N 3.27Å; S242-S245 PolarHBondContact O-OG 3.24Å; V243-S245 PolarHBondContact O-N 2.98Å; V243-S245 VanDerWaalsContact O-N 3.16Å; S245-I247 VanDerWaalsContact C-N 3.34Å; S245-S249 PolarHBondContact O-N 3.22Å; S245-S249 PolarHBondContact O-OG 3.3Å
246	D	96.2	Very high	93	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.016	17%	0.173	C	C	.	.	H	α-helix	trans	-69.9	-35.2	173.9	-63.2	-31.1	0	0	0	110.5	L178 H189 R190 V192 V243 Q244 S249 M250	L178-D246 HydrophobicContact CD1-CB 3.97Å; L178-D246 HydrophobicContact CD2-CB 4Å; H189-D246 PolarHBondContact N-OD2 2.92Å; R190-D246 WeakPolarHBondContact CA-OD1 3.38Å; R190-D246 PolarHBondContact N-OD1 2.78Å; V192-D246 HydrophobicContact CG2-CB 4.08Å; V243-D246 WeakPolarHBondContact O-CB 3.29Å; V243-D246 PolarHBondContact O-N 2.81Å; Q244-D246 VanDerWaalsContact C-N 3.33Å; D246-S249 WeakPolarHBondContact O-CB 3.24Å; D246-S249 PolarHBondContact O-N 3.27Å; D246-M250 PolarHBondContact O-N 3.16Å
247	I	98.4	Very high	93.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.5	-43	176	-65.4	175	0	0	0	111.7	V243 Q244 S245 S249 M250 G251 C342 R350 A351 L353 L356	V243-I247 PolarHBondContact O-N 3.16Å; Q244-I247 WeakPolarHBondContact O-CB 3.27Å; Q244-I247 PolarHBondContact O-N 2.89Å; S245-I247 VanDerWaalsContact C-N 3.34Å; I247-S249 VanDerWaalsContact C-N 3.32Å; I247-S249 PolarHBondContact O-N 3.26Å; I247-M250 WeakPolarHBondContact O-CB 3.44Å; I247-M250 PolarHBondContact O-N 3.4Å; I247-G251 PolarHBondContact O-N 3.49Å; I247-C342 HydrophobicContact CG2-CB 4Å; I247-R350 HydrophobicContact CG2-CG 4.17Å; I247-A351 WeakPolarHBondContact CD1-O 3.33Å; I247-L353 HydrophobicContact CD1-CD2 4.04Å; I247-L353 HydrophobicContact CD1-CG 4.15Å; I247-L353 HydrophobicContact CG1-CD2 3.99Å; I247-L356 HydrophobicContact CD1-CD1 4.09Å; I247-L356 HydrophobicContact CG1-CD1 4.21Å; I247-L356 HydrophobicContact CG2-CD1 3.68Å
248	W	98.2	Very high	94	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.008	14%	0.136	C	C	.	.	H	α-helix	trans	-57.7	-48.4	171.9	170.8	-80.9	0	0	0	111.6	M231 S232 P233 Q244 M250 G251 L252 I319 P324 C342 L343 K345	M231-W248 PolarHBondContact O-NE1 2.97Å; S232-W248 VanDerWaalsContact CA-CD1 3.44Å; P233-W248 HydrophobicContact CG-CE3 4.32Å; P233-W248 HydrophobicContact CG-CH2 3.71Å; P233-W248 HydrophobicContact CG-CZ2 3.97Å; P233-W248 HydrophobicContact CG-CZ3 3.88Å; Q244-W248 PolarHBondContact O-N 2.81Å; Q244-W248 VanDerWaalsContact O-N 3.15Å; W248-M250 VanDerWaalsContact C-N 3.28Å; W248-M250 PolarHBondContact O-N 3.42Å; W248-G251 PolarHBondContact O-N 2.52Å; W248-G251 VanDerWaalsContact O-N 3.11Å; W248-L252 PolarHBondContact O-N 2.71Å; W248-I319 HydrophobicContact CZ2-CG2 3.96Å; W248-P324 HydrophobicContact CH2-CB 4.07Å; W248-P324 HydrophobicContact CZ3-CB 4.34Å; W248-C342 WeakPolarHBondContact CA-O 3.46Å; W248-L343 HydrophobicContact CD2-CD2 3.9Å; W248-L343 HydrophobicContact CE3-CD2 4.02Å; W248-L343 HydrophobicContact CG-CD2 4.35Å; W248-L343 HydrophobicContact CZ2-CD2 4.42Å; W248-L343 HydrophobicContact CZ3-CB 4.39Å; W248-L343 HydrophobicContact CZ3-CD2 4.35Å; W248-L343 WeakPolarHBondContact CZ3-O 3.45Å; W248-K345 HydrophobicContact CH2-CG 4.1Å; W248-K345 HydrophobicContact CZ3-CG 3.91Å
249	S	97.6	Very high	94.7	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.014	10%	0.104	C	C	.	.	H	α-helix	trans	-61.2	-39.4	-178.4	-52.2	0	0	0	0	111	V192 Y230 S245 D246 I247 S253	V192-S249 WeakPolarHBondContact O-CB 3.49Å; Y230-S249 PolarHBondContact O-OG 3.08Å; S245-S249 PolarHBondContact O-N 3.22Å; S245-S249 PolarHBondContact O-OG 3.3Å; D246-S249 WeakPolarHBondContact O-CB 3.24Å; D246-S249 PolarHBondContact O-N 3.27Å; I247-S249 VanDerWaalsContact C-N 3.32Å; I247-S249 PolarHBondContact O-N 3.26Å; S249-S253 WeakPolarHBondContact O-CB 3.31Å; S249-S253 PolarHBondContact O-N 3.36Å; S249-S253 PolarHBondContact O-OG 3.3Å
250	M	98.6	Very high	95.4	Very high	4 Å²	4	19 Å²	19	2%	0.02	10%	0.101	C	C	.	.	H	α-helix	trans	-61.4	-50.2	171.1	-177.9	-176	76.5	0	0	111.8	V174 I175 V192 D246 I247 W248 L252 S253 L254 F338 L356	V174-M250 HydrophobicContact CB-CG 4.45Å; V174-M250 HydrophobicContact CB-SD 3.96Å; V174-M250 HydrophobicContact CG1-CB 4.33Å; V174-M250 HydrophobicContact CG1-CG 3.82Å; V174-M250 HydrophobicContact CG1-SD 3.54Å; V174-M250 VanDerWaalsContact CG1-SD 3.54Å; I175-M250 HydrophobicContact CG1-CE 4.1Å; I175-M250 HydrophobicContact CG1-SD 3.98Å; V192-M250 HydrophobicContact CG1-CB 4.25Å; D246-M250 PolarHBondContact O-N 3.16Å; I247-M250 WeakPolarHBondContact O-CB 3.44Å; I247-M250 PolarHBondContact O-N 3.4Å; W248-M250 VanDerWaalsContact C-N 3.28Å; W248-M250 PolarHBondContact O-N 3.42Å; M250-L252 VanDerWaalsContact C-N 3.3Å; M250-L252 PolarHBondContact O-N 3.05Å; M250-S253 WeakPolarHBondContact O-CB 3.4Å; M250-S253 PolarHBondContact O-N 2.95Å; M250-S253 VanDerWaalsContact O-N 3.16Å; M250-L254 HydrophobicContact CG-CD1 4.11Å; M250-L254 HydrophobicContact CG-CG 4.5Å; M250-L254 WeakPolarHBondContact O-CG 3.4Å; M250-L254 PolarHBondContact O-N 2.99Å; M250-F338 HydrophobicContact CE-CE1 4.19Å; M250-F338 HydrophobicContact CE-CZ 3.87Å; M250-L356 HydrophobicContact CE-CD1 3.89Å
251	G	98.6	Very high	96	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-55.9	-44.6	178.4	0	0	0	0	0	112.4	I247 W248 S253 L254 V255	I247-G251 PolarHBondContact O-N 3.49Å; W248-G251 PolarHBondContact O-N 2.52Å; W248-G251 VanDerWaalsContact O-N 3.11Å; G251-S253 VanDerWaalsContact C-N 3.35Å; G251-S253 PolarHBondContact O-N 3.22Å; G251-L254 PolarHBondContact O-N 3.33Å; G251-V255 WeakPolarHBondContact O-CG2 3.44Å; G251-V255 PolarHBondContact O-N 3.03Å; G251-V255 VanDerWaalsContact O-N 3.16Å
252	L	98	Very high	96.5	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-65.9	-39.9	179.1	-161	71.6	0	0	0	111.9	S229 Y230 W248 M250 L254 V255 E256 F262 P263 I264 P325 L343	S229-L252 WeakPolarHBondContact O-CD2 3.13Å; Y230-L252 HydrophobicContact CD1-CB 4.37Å; Y230-L252 HydrophobicContact CD1-CD2 3.9Å; Y230-L252 HydrophobicContact CD1-CG 4.36Å; Y230-L252 HydrophobicContact CG-CD2 4.41Å; W248-L252 PolarHBondContact O-N 2.71Å; M250-L252 VanDerWaalsContact C-N 3.3Å; M250-L252 PolarHBondContact O-N 3.05Å; L252-L254 VanDerWaalsContact C-N 3.33Å; L252-L254 PolarHBondContact O-N 3.39Å; L252-V255 PolarHBondContact O-N 3.28Å; L252-E256 PolarHBondContact O-N 2.81Å; L252-F262 HydrophobicContact CD2-CE2 3.92Å; L252-F262 HydrophobicContact CD2-CZ 4.06Å; L252-F262 HydrophobicContact CG-CE2 4.5Å; L252-P263 HydrophobicContact CD1-CG 3.52Å; L252-P263 HydrophobicContact CG-CG 3.94Å; L252-I264 HydrophobicContact CD1-CD1 3.95Å; L252-I264 HydrophobicContact CD1-CG1 4.31Å; L252-I264 HydrophobicContact CD2-CD1 4.49Å; L252-P325 HydrophobicContact CD1-CG 3.51Å; L252-L343 HydrophobicContact CB-CD2 4.24Å; L252-L343 HydrophobicContact CD1-CD2 4.45Å
253	S	98.3	Very high	96.7	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.007	6%	0.058	C	C	.	.	H	α-helix	trans	-62.8	-39.1	175.9	-56.3	0	0	0	0	112.1	K193 S249 M250 G251 E256 M257	K193-S253 WeakPolarHBondContact CA-OG 3.47Å; S249-S253 WeakPolarHBondContact O-CB 3.31Å; S249-S253 PolarHBondContact O-N 3.36Å; S249-S253 PolarHBondContact O-OG 3.3Å; M250-S253 WeakPolarHBondContact O-CB 3.4Å; M250-S253 PolarHBondContact O-N 2.95Å; M250-S253 VanDerWaalsContact O-N 3.16Å; G251-S253 VanDerWaalsContact C-N 3.35Å; G251-S253 PolarHBondContact O-N 3.22Å; S253-E256 PolarHBondContact O-N 3.32Å; S253-M257 WeakPolarHBondContact O-CB 3.23Å; S253-M257 VanDerWaalsContact O-CE 3.31Å; S253-M257 WeakPolarHBondContact O-CE 3.25Å; S253-M257 VanDerWaalsContact O-CG 3.31Å; S253-M257 WeakPolarHBondContact O-CG 3.31Å; S253-M257 PolarHBondContact O-N 3.28Å
254	L	98.8	Very high	96.7	Very high	2 Å²	2	10.4 Å²	10.4	1%	0.01	6%	0.056	C	C	.	.	H	α-helix	trans	-66.5	-42.2	178.1	-69.8	169	0	0	0	111.7	L167 S171 M250 G251 L252 E256 M257 A258 F335 F338 V339	L167-L254 HydrophobicContact CB-CD2 4.26Å; L167-L254 HydrophobicContact CD2-CD2 4.14Å; S171-L254 WeakPolarHBondContact OG-CD1 3.44Å; S171-L254 WeakPolarHBondContact OG-CD2 3.41Å; M250-L254 HydrophobicContact CG-CD1 4.11Å; M250-L254 HydrophobicContact CG-CG 4.5Å; M250-L254 WeakPolarHBondContact O-CG 3.4Å; M250-L254 PolarHBondContact O-N 2.99Å; G251-L254 PolarHBondContact O-N 3.33Å; L252-L254 VanDerWaalsContact C-N 3.33Å; L252-L254 PolarHBondContact O-N 3.39Å; L254-E256 VanDerWaalsContact C-N 3.35Å; L254-M257 HydrophobicContact CD2-CE 4.08Å; L254-M257 PolarHBondContact O-N 2.95Å; L254-A258 VanDerWaalsContact O-CB 3.23Å; L254-A258 WeakPolarHBondContact O-CB 3.16Å; L254-A258 PolarHBondContact O-N 3.16Å; L254-F335 HydrophobicContact CB-CE2 4.41Å; L254-F335 HydrophobicContact CB-CZ 4.38Å; L254-F338 HydrophobicContact CD1-CD1 4.23Å; L254-F338 HydrophobicContact CD1-CE1 3.61Å; L254-V339 HydrophobicContact CB-CG2 4.22Å; L254-V339 HydrophobicContact CD1-CG2 4.49Å
255	V	98.4	Very high	96.5	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-61.4	-45.7	174.6	-176.3	0	0	0	0	110.8	G251 L252 M257 A258 I259 P263 L327 V339 L343	G251-V255 WeakPolarHBondContact O-CG2 3.44Å; G251-V255 PolarHBondContact O-N 3.03Å; G251-V255 VanDerWaalsContact O-N 3.16Å; L252-V255 PolarHBondContact O-N 3.28Å; V255-M257 PolarHBondContact O-N 3.48Å; V255-A258 PolarHBondContact O-N 3.06Å; V255-I259 HydrophobicContact CG1-CD1 3.55Å; V255-I259 HydrophobicContact CG1-CG1 4.24Å; V255-I259 WeakPolarHBondContact O-CB 3.2Å; V255-I259 WeakPolarHBondContact O-CG1 3.08Å; V255-I259 PolarHBondContact O-N 2.93Å; V255-P263 HydrophobicContact CB-CB 4.1Å; V255-P263 HydrophobicContact CB-CG 4.13Å; V255-P263 HydrophobicContact CG1-CB 3.46Å; V255-P263 VanDerWaalsContact CG1-CB 3.46Å; V255-P263 HydrophobicContact CG1-CG 4.05Å; V255-L327 HydrophobicContact CB-CD2 4.44Å; V255-L327 HydrophobicContact CG1-CD2 4.23Å; V255-L327 HydrophobicContact CG2-CD2 4.33Å; V255-L327 HydrophobicContact CG2-CG 4.35Å; V255-V339 HydrophobicContact CG2-CG1 3.35Å; V255-L343 HydrophobicContact CG2-CD1 3.99Å
256	E	97.8	Very high	96.3	Very high	18 Å²	18	13 Å²	13	8%	0.084	7%	0.074	C	C	.	.	H	α-helix	trans	-57.1	-49.2	177.8	176	174.7	-164.8	0	0	112	L156 Y230 L252 S253 L254 G260 R261	L156-E256 HydrophobicContact CD2-CG 3.93Å; Y230-E256 WeakPolarHBondContact CE1-OE2 3.49Å; Y230-E256 VanDerWaalsContact OH-CD 3.26Å; Y230-E256 PolarHBondContact OH-OE1 3.48Å; Y230-E256 PolarHBondContact OH-OE2 3.02Å; L252-E256 PolarHBondContact O-N 2.81Å; S253-E256 PolarHBondContact O-N 3.32Å; L254-E256 VanDerWaalsContact C-N 3.35Å; E256-G260 WeakPolarHBondContact O-CA 3.3Å; E256-G260 PolarHBondContact O-N 3.11Å; E256-R261 WeakPolarHBondContact CA-O 3.33Å; E256-R261 PolarHBondContact O-N 3.35Å
257	M	98.5	Very high	96	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-69.1	-34.7	-177.5	-70.1	-176.7	-68.1	0	0	112.6	L152 L156 I162 L167 V170 P194 S253 L254 V255	L152-M257 HydrophobicContact CB-SD 3.85Å; L152-M257 HydrophobicContact CD1-CE 4.34Å; L152-M257 HydrophobicContact CD1-SD 3.75Å; L152-M257 HydrophobicContact CG-SD 4.4Å; L156-M257 HydrophobicContact CD1-CB 4.39Å; L156-M257 WeakPolarHBondContact CD1-O 3.43Å; L156-M257 HydrophobicContact CD2-CG 4.21Å; I162-M257 HydrophobicContact CB-CB 4.32Å; I162-M257 HydrophobicContact CD1-CB 4.03Å; I162-M257 HydrophobicContact CD1-CG 4.04Å; I162-M257 HydrophobicContact CD1-SD 3.88Å; I162-M257 HydrophobicContact CG1-CB 4.33Å; I162-M257 PolarHBondContact N-O 2.85Å; L167-M257 HydrophobicContact CD1-CB 4.44Å; L167-M257 HydrophobicContact CD2-CB 3.75Å; L167-M257 HydrophobicContact CD2-CE 3.9Å; L167-M257 HydrophobicContact CD2-SD 4.22Å; V170-M257 HydrophobicContact CG1-CE 4.37Å; P194-M257 HydrophobicContact CB-CG 4.32Å; P194-M257 HydrophobicContact CB-SD 4.13Å; P194-M257 HydrophobicContact CG-CG 3.98Å; P194-M257 HydrophobicContact CG-SD 4.14Å; S253-M257 WeakPolarHBondContact O-CB 3.23Å; S253-M257 VanDerWaalsContact O-CE 3.31Å; S253-M257 WeakPolarHBondContact O-CE 3.25Å; S253-M257 VanDerWaalsContact O-CG 3.31Å; S253-M257 WeakPolarHBondContact O-CG 3.31Å; S253-M257 PolarHBondContact O-N 3.28Å; L254-M257 HydrophobicContact CD2-CE 4.08Å; L254-M257 PolarHBondContact O-N 2.95Å; V255-M257 PolarHBondContact O-N 3.48Å
258	A	98.1	Very high	95.5	Very high	2 Å²	2	16.9 Å²	16.9	2%	0.017	10%	0.096	C	C	.	.	H	α-helix	trans	-69.3	-43.8	177.5	0	0	0	0	0	112.1	L167 L254 V255 L327 F331 F335	L167-A258 HydrophobicContact CD1-CB 3.64Å; L254-A258 VanDerWaalsContact O-CB 3.23Å; L254-A258 WeakPolarHBondContact O-CB 3.16Å; L254-A258 PolarHBondContact O-N 3.16Å; V255-A258 PolarHBondContact O-N 3.06Å; A258-L327 HydrophobicContact CB-CD2 3.65Å; A258-F331 HydrophobicContact CB-CE1 3.94Å; A258-F331 HydrophobicContact CB-CE2 4.29Å; A258-F331 HydrophobicContact CB-CZ 3.68Å; A258-F335 HydrophobicContact CB-CE1 4.02Å; A258-F335 HydrophobicContact CB-CZ 4.34Å
259	I	96.4	Very high	95	Very high	4 Å²	4	19.4 Å²	19.4	2%	0.021	11%	0.114	C	C	.	.	H	α-helix	trans	-82.9	-26.5	-177.9	-61.5	-179.7	0	0	0	111.7	K161 V255 R261 I275 L327	K161-I259 WeakPolarHBondContact CG-O 3.4Å; V255-I259 HydrophobicContact CG1-CD1 3.55Å; V255-I259 HydrophobicContact CG1-CG1 4.24Å; V255-I259 WeakPolarHBondContact O-CB 3.2Å; V255-I259 WeakPolarHBondContact O-CG1 3.08Å; V255-I259 PolarHBondContact O-N 2.93Å; I259-R261 HydrophobicContact CG2-CB 4.21Å; I259-I275 HydrophobicContact CG2-CD1 3.99Å; I259-I275 HydrophobicContact CG2-CG2 4.41Å; I259-I275 WeakPolarHBondContact O-CG2 3.4Å; I259-L327 HydrophobicContact CG1-CD2 4.45Å
260	G	95.8	Very high	94.6	Very high	34 Å²	34	25.1 Å²	25.1	35%	0.351	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	11.6	-173.4	0	0	0	0	0	114.4	G160 E256	G160-G260 WeakPolarHBondContact O-CA 3.48Å; E256-G260 WeakPolarHBondContact O-CA 3.3Å; E256-G260 PolarHBondContact O-N 3.11Å
261	R	92.9	Very high	94.2	Very high	68 Å²	68	27.3 Å²	27.3	26%	0.257	15%	0.149	S	C	.	.	S	Bend	trans	-151.1	138.4	-173	-175.9	-161.6	158.1	-148.3	-18.3	109.6	E256 I259 P265 P267 E271	E256-R261 WeakPolarHBondContact CA-O 3.33Å; E256-R261 PolarHBondContact O-N 3.35Å; I259-R261 HydrophobicContact CG2-CB 4.21Å; R261-P265 PolarHBondContact NH2-O 2.69Å; R261-P267 VanDerWaalsContact NH1-CA 3.29Å; R261-E271 WeakPolarHBondContact CD-OE1 3.47Å; R261-E271 IonicContact CZ-OE1 3.78Å; R261-E271 VanDerWaalsContact CZ-OE1 3.25Å; R261-E271 IonicContact CZ-OE2 3.65Å; R261-E271 IonicContact NE-OE1 2.88Å; R261-E271 PolarHBondContact NE-OE1 3.33Å; R261-E271 IonicContact NH1-OE1 3.6Å; R261-E271 PolarHBondContact NH1-OE1 3.19Å; R261-E271 IonicContact NH1-OE2 3.98Å; R261-E271 PolarHBondContact NH1-OE2 2.75Å
262	F	93.4	Very high	93.8	Very high	44 Å²	44	27.7 Å²	27.7	19%	0.193	15%	0.151	C	C	.	.			trans	-54.2	127	170.6	-175	-101.7	0	0	0	110.9	Y230 L252 I264 L315	Y230-F262 HydrophobicContact CD1-CE2 4.31Å; Y230-F262 HydrophobicContact CE1-CD2 4.15Å; Y230-F262 AromaticContact CE1-CE2 3.86Å; Y230-F262 HydrophobicContact CE1-CE2 3.86Å; Y230-F262 HydrophobicContact CE2-CE2 4.31Å; Y230-F262 AromaticContact CZ-CD2 3.97Å; Y230-F262 AromaticContact CZ-CE2 3.86Å; L252-F262 HydrophobicContact CD2-CE2 3.92Å; L252-F262 HydrophobicContact CD2-CZ 4.06Å; L252-F262 HydrophobicContact CG-CE2 4.5Å; F262-I264 VanDerWaalsContact C-N 3.31Å; F262-I264 HydrophobicContact CD1-CB 4.43Å; F262-I264 WeakPolarHBondContact CD1-O 3.49Å; F262-I264 HydrophobicContact CE1-CB 3.79Å; F262-I264 HydrophobicContact CE1-CG1 4.48Å; F262-I264 HydrophobicContact CZ-CB 4.44Å; F262-I264 PolarHBondContact O-N 3.37Å; F262-L315 HydrophobicContact CE1-CD1 3.74Å; F262-L315 HydrophobicContact CE1-CD2 4.02Å; F262-L315 HydrophobicContact CZ-CD1 4.27Å; F262-L315 HydrophobicContact CZ-CD2 4.36Å
263	P	93.5	Very high	93.4	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.013	17%	0.17	C	C	.	.			trans	-86.2	4.9	-158.7	34.6	-40.2	0	0	0	114.9	L252 V255 P265 P266 P325	L252-P263 HydrophobicContact CD1-CG 3.52Å; L252-P263 HydrophobicContact CG-CG 3.94Å; V255-P263 HydrophobicContact CB-CB 4.1Å; V255-P263 HydrophobicContact CB-CG 4.13Å; V255-P263 HydrophobicContact CG1-CB 3.46Å; V255-P263 VanDerWaalsContact CG1-CB 3.46Å; V255-P263 HydrophobicContact CG1-CG 4.05Å; P263-P265 CarbonylContact O-C 3.59Å; P263-P265 VanDerWaalsContact O-C 3.3Å; P263-P266 WeakPolarHBondContact O-CA 3.48Å; P263-P325 HydrophobicContact CB-CB 3.88Å; P263-P325 HydrophobicContact CB-CG 4.15Å; P263-P325 HydrophobicContact CG-CB 4.4Å; P263-P325 HydrophobicContact CG-CG 4.11Å
264	I	92.3	Very high	93.1	Very high	10 Å²	10	38.6 Å²	38.6	5%	0.051	20%	0.201	C	C	.	.	S	Bend	trans	-122.8	124.1	179.6	-55.5	176.3	0	0	0	110	L252 F262 L315 Y318 I319 P325	L252-I264 HydrophobicContact CD1-CD1 3.95Å; L252-I264 HydrophobicContact CD1-CG1 4.31Å; L252-I264 HydrophobicContact CD2-CD1 4.49Å; F262-I264 VanDerWaalsContact C-N 3.31Å; F262-I264 HydrophobicContact CD1-CB 4.43Å; F262-I264 WeakPolarHBondContact CD1-O 3.49Å; F262-I264 HydrophobicContact CE1-CB 3.79Å; F262-I264 HydrophobicContact CE1-CG1 4.48Å; F262-I264 HydrophobicContact CZ-CB 4.44Å; F262-I264 PolarHBondContact O-N 3.37Å; I264-L315 HydrophobicContact CB-CD1 3.62Å; I264-L315 HydrophobicContact CD1-CD1 4.42Å; I264-L315 HydrophobicContact CG2-CD1 3.33Å; I264-Y318 HydrophobicContact CG2-CD1 3.29Å; I264-Y318 HydrophobicContact CG2-CD2 4.37Å; I264-Y318 HydrophobicContact CG2-CE1 3.88Å; I264-Y318 HydrophobicContact CG2-CG 3.61Å; I264-I319 HydrophobicContact CD1-CD1 4.31Å; I264-I319 HydrophobicContact CD1-CG1 3.56Å; I264-P325 HydrophobicContact CD1-CG 4.45Å; I264-P325 HydrophobicContact CG1-CG 4.14Å
265	P	91.6	Very high	92.8	Very high	33 Å²	33	40.5 Å²	40.5	21%	0.214	21%	0.211	C	C	.	.	S	Bend	cis	-67.1	153.7	-7.2	29.7	-34.6	0	0	0	111.7	R261 P263 M310 Y318	R261-P265 PolarHBondContact NH2-O 2.69Å; P263-P265 CarbonylContact O-C 3.59Å; P263-P265 VanDerWaalsContact O-C 3.3Å; P265-M310 HydrophobicContact CB-CE 3.88Å; P265-M310 HydrophobicContact CG-CE 3.83Å; P265-Y318 HydrophobicContact CB-CE2 4.31Å
266	P	91.3	Very high	92.4	Very high	42 Å²	42	41.9 Å²	41.9	27%	0.273	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-55.1	143.7	177.7	-26.4	34.9	0	0	0	112.5	P263 Y318	P263-P266 WeakPolarHBondContact O-CA 3.48Å; P266-Y318 VanDerWaalsContact CD-CZ 3.49Å; P266-Y318 WeakPolarHBondContact CD-OH 3.39Å; P266-Y318 WeakPolarHBondContact CG-OH 3.36Å
267	P	89.8	Confident	92	Very high	21 Å²	21	44.2 Å²	44.2	14%	0.136	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-63.6	141.1	172.9	28.4	-35	0	0	0	110.6	R261 E271 L272 I275	R261-P267 VanDerWaalsContact NH1-CA 3.29Å; P267-E271 WeakPolarHBondContact CA-OE2 3.16Å; P267-E271 HydrophobicContact CB-CB 4.08Å; P267-E271 HydrophobicContact CB-CG 4.1Å; P267-L272 HydrophobicContact CB-CD2 4.07Å; P267-L272 HydrophobicContact CB-CG 4.01Å; P267-L272 HydrophobicContact CG-CD2 3.53Å; P267-L272 HydrophobicContact CG-CG 3.88Å; P267-I275 HydrophobicContact CB-CD1 4.44Å
268	D	88.8	Confident	91.4	Very high	65 Å²	65	48.9 Å²	48.9	35%	0.348	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-78.7	170.8	170.2	65.1	42.7	0	0	0	111.3	K270 E271 L272 R307	D268-K270 PolarHBondContact O-N 3.34Å; D268-K270 WeakPolarHBondContact OD1-CB 3.33Å; D268-K270 PolarHBondContact OD1-N 2.88Å; D268-K270 VanDerWaalsContact OD1-N 3.08Å; D268-E271 PolarHBondContact O-N 3.01Å; D268-E271 VanDerWaalsContact O-N 3.14Å; D268-E271 PolarHBondContact OD1-N 2.77Å; D268-L272 WeakPolarHBondContact O-CG 3.44Å; D268-L272 PolarHBondContact O-N 3.19Å; D268-R307 IonicContact OD2-CZ 3.81Å; D268-R307 IonicContact OD2-NH1 2.83Å; D268-R307 IonicContact OD2-NH2 3.37Å
269	S	87.1	Confident	90.6	Very high	54 Å²	54	53.6 Å²	53.6	38%	0.378	30%	0.297	S	S	.	.	H	α-helix	trans	-58.2	-32.9	-176.6	-48.9	0	0	0	0	113.3	E273	S269-E273 WeakPolarHBondContact O-CB 3.48Å; S269-E273 PolarHBondContact O-N 3.42Å
270	K	88.9	Confident	89.8	Confident	122 Å²	122	53.9 Å²	53.9	53%	0.53	30%	0.299	S	S	.	.	H	α-helix	trans	-73.7	-39.1	179.9	-171.2	-178.8	-178.1	-178.6	0	110.8	D268 Q274	D268-K270 PolarHBondContact O-N 3.34Å; D268-K270 WeakPolarHBondContact OD1-CB 3.33Å; D268-K270 PolarHBondContact OD1-N 2.88Å; D268-K270 VanDerWaalsContact OD1-N 3.08Å; K270-Q274 WeakPolarHBondContact O-CG 3.48Å; K270-Q274 PolarHBondContact O-N 3.36Å; K270-Q274 VanDerWaalsContact O-N 3.1Å
271	E	90.1	Very high	88.4	Confident	50 Å²	50	61 Å²	61	23%	0.234	32%	0.323	C	S	.	.	H	α-helix	trans	-67.5	-41.5	174	-166.8	-178.8	170.5	0	0	111.5	R261 P267 D268 E273 Q274 I275	R261-E271 WeakPolarHBondContact CD-OE1 3.47Å; R261-E271 IonicContact CZ-OE1 3.78Å; R261-E271 VanDerWaalsContact CZ-OE1 3.25Å; R261-E271 IonicContact CZ-OE2 3.65Å; R261-E271 IonicContact NE-OE1 2.88Å; R261-E271 PolarHBondContact NE-OE1 3.33Å; R261-E271 IonicContact NH1-OE1 3.6Å; R261-E271 PolarHBondContact NH1-OE1 3.19Å; R261-E271 IonicContact NH1-OE2 3.98Å; R261-E271 PolarHBondContact NH1-OE2 2.75Å; P267-E271 WeakPolarHBondContact CA-OE2 3.16Å; P267-E271 HydrophobicContact CB-CB 4.08Å; P267-E271 HydrophobicContact CB-CG 4.1Å; D268-E271 PolarHBondContact O-N 3.01Å; D268-E271 VanDerWaalsContact O-N 3.14Å; D268-E271 PolarHBondContact OD1-N 2.77Å; E271-E273 VanDerWaalsContact C-N 3.35Å; E271-E273 PolarHBondContact O-N 3.47Å; E271-Q274 WeakPolarHBondContact O-CB 3.28Å; E271-Q274 PolarHBondContact O-N 3.49Å; E271-Q274 VanDerWaalsContact O-N 3.15Å; E271-I275 HydrophobicContact CG-CD1 4.04Å; E271-I275 VanDerWaalsContact O-CG1 3.25Å; E271-I275 WeakPolarHBondContact O-CG1 3.38Å; E271-I275 PolarHBondContact O-N 3.25Å
272	L	90.4	Very high	86.7	Confident	9 Å²	9	59 Å²	59	5%	0.047	32%	0.324	C	S	.	.	H	α-helix	trans	-59.5	-44.6	173.3	-74.2	173.1	0	0	0	111.7	P267 D268 Q274 I275 F276 V280 P328	P267-L272 HydrophobicContact CB-CD2 4.07Å; P267-L272 HydrophobicContact CB-CG 4.01Å; P267-L272 HydrophobicContact CG-CD2 3.53Å; P267-L272 HydrophobicContact CG-CG 3.88Å; D268-L272 WeakPolarHBondContact O-CG 3.44Å; D268-L272 PolarHBondContact O-N 3.19Å; L272-Q274 VanDerWaalsContact C-N 3.28Å; L272-Q274 PolarHBondContact O-N 2.83Å; L272-I275 PolarHBondContact O-N 2.97Å; L272-I275 VanDerWaalsContact O-N 3.16Å; L272-F276 HydrophobicContact CD2-CD2 4.24Å; L272-F276 HydrophobicContact CD2-CE2 3.78Å; L272-F276 VanDerWaalsContact O-CD2 3.26Å; L272-F276 WeakPolarHBondContact O-CD2 3.26Å; L272-F276 PolarHBondContact O-N 2.72Å; L272-V280 HydrophobicContact CB-CB 4.22Å; L272-V280 HydrophobicContact CD1-CG1 4.46Å; L272-P328 HydrophobicContact CD2-CB 4.39Å; L272-P328 HydrophobicContact CD2-CG 4.28Å
273	E	90.3	Very high	84.6	Confident	87 Å²	87	64.5 Å²	64.5	41%	0.407	35%	0.35	S	S	.	.	H	α-helix	trans	-59.9	-38.5	175.2	-179.4	175.9	-162.8	0	0	111.9	S269 E271 G277 F278	S269-E273 WeakPolarHBondContact O-CB 3.48Å; S269-E273 PolarHBondContact O-N 3.42Å; E271-E273 VanDerWaalsContact C-N 3.35Å; E271-E273 PolarHBondContact O-N 3.47Å; E273-G277 VanDerWaalsContact O-CA 3.24Å; E273-G277 WeakPolarHBondContact O-CA 3.49Å; E273-G277 PolarHBondContact O-N 2.92Å; E273-F278 WeakPolarHBondContact CA-O 3.19Å
274	Q	91.4	Very high	82.1	Confident	142 Å²	142	68.1 Å²	68.1	66%	0.664	38%	0.38	S	S	*	.	H	α-helix	trans	-67.9	-38.9	174.4	-71.4	172.3	7.3	0	0	112.8	K270 E271 L272	K270-Q274 WeakPolarHBondContact O-CG 3.48Å; K270-Q274 PolarHBondContact O-N 3.36Å; K270-Q274 VanDerWaalsContact O-N 3.1Å; E271-Q274 WeakPolarHBondContact O-CB 3.28Å; E271-Q274 PolarHBondContact O-N 3.49Å; E271-Q274 VanDerWaalsContact O-N 3.15Å; L272-Q274 VanDerWaalsContact C-N 3.28Å; L272-Q274 PolarHBondContact O-N 2.83Å
275	I	91.4	Very high	79.9	Confident	42 Å²	42	71.2 Å²	71.2	22%	0.215	41%	0.408	C	S	.	.	H	α-helix	trans	-69	-39.4	-179.7	-70.2	165.3	0	0	0	111.4	K161 I259 P267 E271 L272	K161-I275 HydrophobicContact CD-CG2 4.07Å; K161-I275 PolarHBondContact NZ-O 3.32Å; I259-I275 HydrophobicContact CG2-CD1 3.99Å; I259-I275 HydrophobicContact CG2-CG2 4.41Å; I259-I275 WeakPolarHBondContact O-CG2 3.4Å; P267-I275 HydrophobicContact CB-CD1 4.44Å; E271-I275 HydrophobicContact CG-CD1 4.04Å; E271-I275 VanDerWaalsContact O-CG1 3.25Å; E271-I275 WeakPolarHBondContact O-CG1 3.38Å; E271-I275 PolarHBondContact O-N 3.25Å; L272-I275 PolarHBondContact O-N 2.97Å; L272-I275 VanDerWaalsContact O-N 3.16Å
276	F	91.3	Very high	77.3	Confident	29 Å²	29	74.6 Å²	74.6	13%	0.127	43%	0.432	C	S	.	.	H	α-helix	trans	-101.9	-16.8	-173.4	-65.5	-69.4	0	0	0	114.2	K161 L272 F278 V280 P328 I330 F331	K161-F276 HydrophobicContact CD-CD1 4.44Å; K161-F276 HydrophobicContact CD-CE1 3.85Å; K161-F276 HydrophobicContact CD-CZ 4.49Å; L272-F276 HydrophobicContact CD2-CD2 4.24Å; L272-F276 HydrophobicContact CD2-CE2 3.78Å; L272-F276 VanDerWaalsContact O-CD2 3.26Å; L272-F276 WeakPolarHBondContact O-CD2 3.26Å; L272-F276 PolarHBondContact O-N 2.72Å; F276-F278 VanDerWaalsContact C-N 3.32Å; F276-F278 HydrophobicContact CB-CD1 4.22Å; F276-F278 HydrophobicContact CB-CE1 3.82Å; F276-F278 HydrophobicContact CB-CZ 4Å; F276-F278 WeakPolarHBondContact O-CD1 3.32Å; F276-F278 VanDerWaalsContact O-CE1 3.31Å; F276-F278 WeakPolarHBondContact O-CE1 3.48Å; F276-V280 HydrophobicContact CB-CG2 4.13Å; F276-V280 HydrophobicContact CD2-CG2 4.09Å; F276-V280 HydrophobicContact CG-CG2 4.39Å; F276-P328 HydrophobicContact CE2-CG 3.94Å; F276-P328 HydrophobicContact CZ-CG 4.17Å; F276-I330 HydrophobicContact CD1-CD1 3.25Å; F276-I330 HydrophobicContact CD2-CD1 3.82Å; F276-I330 HydrophobicContact CE1-CD1 3.13Å; F276-I330 HydrophobicContact CE2-CD1 3.71Å; F276-I330 HydrophobicContact CG-CD1 3.62Å; F276-I330 HydrophobicContact CZ-CD1 3.38Å; F276-F331 HydrophobicContact CE1-CZ 4.4Å; F276-F331 HydrophobicContact CZ-CE2 4.25Å; F276-F331 HydrophobicContact CZ-CZ 4.35Å
277	G	88.8	Confident	74.7	Confident	68 Å²	68	78.4 Å²	78.4	70%	0.701	46%	0.46	S	S	*	.	S	Bend	trans	80.7	9.9	178.2	0	0	0	0	0	114.4	E273	E273-G277 VanDerWaalsContact O-CA 3.24Å; E273-G277 WeakPolarHBondContact O-CA 3.49Å; E273-G277 PolarHBondContact O-N 2.92Å
278	F	85.6	Confident	72.1	Confident	98 Å²	98	85.8 Å²	85.8	43%	0.43	49%	0.492	S	S	.	.	S	Bend	trans	-152.3	156.3	176.9	56.3	-91.3	0	0	0	110.5	E273 F276 V280 I330	E273-F278 WeakPolarHBondContact CA-O 3.19Å; F276-F278 VanDerWaalsContact C-N 3.32Å; F276-F278 HydrophobicContact CB-CD1 4.22Å; F276-F278 HydrophobicContact CB-CE1 3.82Å; F276-F278 HydrophobicContact CB-CZ 4Å; F276-F278 WeakPolarHBondContact O-CD1 3.32Å; F276-F278 VanDerWaalsContact O-CE1 3.31Å; F276-F278 WeakPolarHBondContact O-CE1 3.48Å; F278-V280 HydrophobicContact CD2-CG2 4.03Å; F278-V280 HydrophobicContact CE2-CG2 3.78Å; F278-V280 HydrophobicContact CZ-CG2 4.49Å; F278-V280 PolarHBondContact O-N 2.93Å; F278-I330 HydrophobicContact CE2-CG2 3.65Å; F278-I330 HydrophobicContact CZ-CG2 3.84Å
279	P	81.9	Confident	69.5	Low	101 Å²	101	88 Å²	88	66%	0.656	51%	0.513	S	S	*	.			trans	-58.9	123.7	178.1	-23.9	33.5	0	0	0	111.4
280	V	80.1	Confident	67.4	Low	10 Å²	10	91.3 Å²	91.3	6%	0.061	53%	0.533	C	S	.	.			trans	-112.7	124.8	173.8	-179.2	0	0	0	0	107.6	L272 F276 F278 G282 P328 I330	L272-V280 HydrophobicContact CB-CB 4.22Å; L272-V280 HydrophobicContact CD1-CG1 4.46Å; F276-V280 HydrophobicContact CB-CG2 4.13Å; F276-V280 HydrophobicContact CD2-CG2 4.09Å; F276-V280 HydrophobicContact CG-CG2 4.39Å; F278-V280 HydrophobicContact CD2-CG2 4.03Å; F278-V280 HydrophobicContact CE2-CG2 3.78Å; F278-V280 HydrophobicContact CZ-CG2 4.49Å; F278-V280 PolarHBondContact O-N 2.93Å; V280-G282 PolarHBondContact O-N 3.43Å; V280-P328 HydrophobicContact CG1-CB 3.74Å; V280-I330 HydrophobicContact CG1-CG2 3.98Å; V280-I330 HydrophobicContact CG2-CG2 3.85Å
281	E	66.1	Low	65	Low	183 Å²	183	95 Å²	95	86%	0.855	55%	0.549	S	S	*	.			trans	-62.7	101.7	169.6	-73	-173	172.4	0	0	108.6
282	G	55.8	Low	62.3	Low	26 Å²	26	98.4 Å²	98.4	27%	0.268	58%	0.576	S	S	.	*			trans	-83.8	130	167.6	0	0	0	0	0	108.7	V280 A284	V280-G282 PolarHBondContact O-N 3.43Å; G282-A284 PolarHBondContact O-N 3.22Å
283	E	50.3	Low	60	Low	161 Å²	161	103.6 Å²	103.6	75%	0.752	61%	0.611	S	S	*	*			trans	-62.3	92.6	153.7	-74.9	-170.8	160.1	0	0	106	A285 K326	E283-A285 PolarHBondContact O-N 2.74Å; E283-K326 IonicContact OE2-NZ 2.77Å; E283-K326 PolarHBondContact OE2-NZ 3.28Å
284	A	41.9	Very low	57.5	Low	77 Å²	77	105 Å²	105	64%	0.636	63%	0.628	S	S	*	*			trans	-53.6	119.2	169.9	0	0	0	0	0	106.4	G282 S286	G282-A284 PolarHBondContact O-N 3.22Å; A284-S286 PolarHBondContact O-N 3.2Å
285	A	45.5	Very low	54.8	Low	76 Å²	76	104.8 Å²	104.8	63%	0.628	64%	0.639	S	S	*	*			trans	-46	119.4	160.1	0	0	0	0	0	105.3	E283 S287	E283-A285 PolarHBondContact O-N 2.74Å; A285-S287 PolarHBondContact O-N 3.29Å
286	S	37.6	Very low	52.5	Low	103 Å²	103	106.3 Å²	106.3	72%	0.72	67%	0.665	S	S	*	*			trans	-36.5	126.7	-172.3	46.2	0	0	0	0	109.9	A284 E288	A284-S286 PolarHBondContact O-N 3.2Å; S286-E288 PolarHBondContact O-N 3.26Å
287	S	36	Very low	50.1	Low	123 Å²	123	116.2 Å²	116.2	86%	0.86	70%	0.701	S	S	*	*			trans	-61.5	72.7	176.6	57.3	0	0	0	0	111.1	A285	A285-S287 PolarHBondContact O-N 3.29Å
288	E	35.3	Very low	47.6	Very low	175 Å²	175	119.8 Å²	119.8	82%	0.818	71%	0.71	S	S	*	*			trans	-95.9	118.5	152.8	-72.6	-159.5	163.1	0	0	106.7	S286	S286-E288 PolarHBondContact O-N 3.26Å
289	S	33.1	Very low	45.3	Very low	112 Å²	112	119.1 Å²	119.1	78%	0.783	73%	0.731	S	S	*	*			trans	-45.7	135.3	176.1	-56.9	0	0	0	0	110.3	K291	S289-K291 PolarHBondContact O-N 3.4Å
290	P	42.9	Very low	43.2	Very low	124 Å²	124	118.7 Å²	118.7	81%	0.805	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-56.7	132.6	171.4	-18	29.1	0	0	0	109
291	K	38.8	Very low	41.2	Very low	199 Å²	199	123.7 Å²	123.7	87%	0.865	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-50.8	137.2	170.9	-74.4	174	179.9	165.7	0	109.1	S289 C293	S289-K291 PolarHBondContact O-N 3.4Å; K291-C293 PolarHBondContact O-N 3.2Å
292	P	33.4	Very low	39.8	Very low	122 Å²	122	122.1 Å²	122.1	79%	0.792	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-59	139.7	-176.2	21.7	-31.5	0	0	0	111.5
293	C	42.4	Very low	38.9	Very low	117 Å²	117	123 Å²	123	79%	0.791	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-52.3	145.2	173.3	-77.9	0	0	0	0	111.5	K291	K291-C293 PolarHBondContact O-N 3.2Å
294	P	37.1	Very low	38.4	Very low	116 Å²	116	121.8 Å²	121.8	75%	0.753	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-61.9	138.9	165.7	10.9	-6	0	0	0	109.7	G296	P294-G296 PolarHBondContact O-N 3.05Å
295	P	35.3	Very low	38.4	Very low	139 Å²	139	124.9 Å²	124.9	90%	0.903	77%	0.774	S	S	*	*	S	Bend	trans	-67.2	118.5	-179.7	25.3	-31	0	0	0	110.1
296	G	43.2	Very low	38.6	Very low	74 Å²	74	124.8 Å²	124.8	76%	0.763	77%	0.769	S	S	*	*			trans	162.3	10.7	172.5	0	0	0	0	0	120.7	P294	P294-G296 PolarHBondContact O-N 3.05Å
297	R	41.6	Very low	39.5	Very low	236 Å²	236	128.1 Å²	128.1	89%	0.891	77%	0.766	S	S	*	*			trans	-119.9	116.9	174.5	-83	-177.3	175.2	172.4	-0.6	112.8
298	T	36.6	Very low	40.7	Very low	143 Å²	143	127 Å²	127	88%	0.877	76%	0.756	S	S	*	*			trans	-62.9	140.9	169.8	41	0	0	0	0	110.5
299	G	37.3	Very low	42.4	Very low	85 Å²	85	123.9 Å²	123.9	88%	0.876	75%	0.75	S	S	*	*			trans	-58.7	141.6	-165.2	0	0	0	0	0	115.5
300	S	37.6	Very low	44.6	Very low	91 Å²	91	121.7 Å²	121.7	64%	0.636	73%	0.728	S	S	*	*			trans	-107.8	134.1	167.1	-172	0	0	0	0	109.1	Y302	S300-Y302 PolarHBondContact O-N 2.82Å; S300-Y302 WeakPolarHBondContact OG-CE2 3.13Å
301	S	38.3	Very low	46.7	Very low	115 Å²	115	117.8 Å²	117.8	80%	0.804	71%	0.707	S	S	*	*			trans	-71.4	91	-178.5	59.6	0	0	0	0	111.2
302	Y	36.8	Very low	48.9	Very low	150 Å²	150	110.5 Å²	110.5	59%	0.588	68%	0.677	S	S	*	*			trans	-123.4	140.1	161.1	-69.9	-78.7	0	0	0	108.6	S300	S300-Y302 PolarHBondContact O-N 2.82Å; S300-Y302 WeakPolarHBondContact OG-CE2 3.13Å
303	G	35.4	Very low	51.5	Low	44 Å²	44	112.9 Å²	112.9	45%	0.454	68%	0.675	S	S	.	*			trans	-56.9	160.2	-179.4	0	0	0	0	0	112	N305 S306	G303-N305 PolarHBondContact O-N 3.42Å; G303-S306 PolarHBondContact O-N 3.28Å
304	P	40.4	Very low	53.7	Low	137 Å²	137	112.3 Å²	112.3	89%	0.89	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	0.7	-166.6	22.4	-32.4	0	0	0	116.3
305	N	42.7	Very low	56.2	Low	142 Å²	142	107.6 Å²	107.6	76%	0.759	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.6	6.3	-173.6	-72.4	-26.6	0	0	0	114.9	G303	G303-N305 PolarHBondContact O-N 3.42Å
306	S	48.9	Very low	58.9	Low	74 Å²	74	102.3 Å²	102.3	52%	0.517	59%	0.593	S	S	.	*			trans	-109.5	114.8	-180	-38.5	0	0	0	0	110.1	G303	G303-S306 PolarHBondContact O-N 3.28Å
307	R	57.3	Low	61.1	Low	173 Å²	173	103 Å²	103	65%	0.653	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-58.5	134.5	168.5	-86.8	179.9	176.2	156.4	0.1	108.9	D268	D268-R307 IonicContact OD2-CZ 3.81Å; D268-R307 IonicContact OD2-NH1 2.83Å; D268-R307 IonicContact OD2-NH2 3.37Å
308	P	60.2	Low	63.6	Low	100 Å²	100	93.5 Å²	93.5	65%	0.649	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-62	147.3	177.8	22.5	-29.7	0	0	0	110.6	M310	P308-M310 PolarHBondContact O-N 3.48Å
309	P	70.9	Confident	66.3	Low	108 Å²	108	86.9 Å²	86.9	70%	0.701	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-61.8	127.3	179	24.6	-32.2	0	0	0	110.2
310	M	79.8	Confident	69	Low	66 Å²	66	84.1 Å²	84.1	33%	0.325	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-60.7	135.1	178.9	-178.5	176.7	-82.6	0	0	110.6	P265 P308 E314 L315 Y318	P265-M310 HydrophobicContact CB-CE 3.88Å; P265-M310 HydrophobicContact CG-CE 3.83Å; P308-M310 PolarHBondContact O-N 3.48Å; M310-E314 HydrophobicContact CG-CB 3.53Å; M310-E314 HydrophobicContact SD-CB 4.2Å; M310-L315 HydrophobicContact CG-CB 4.32Å; M310-L315 VanDerWaalsContact SD-CA 3.53Å; M310-L315 HydrophobicContact SD-CB 3.93Å; M310-L315 HydrophobicContact SD-CD1 4.43Å; M310-Y318 HydrophobicContact CE-CD2 4.16Å
311	A	87.6	Confident	71.7	Confident	43 Å²	43	84.3 Å²	84.3	36%	0.355	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-71.4	154.9	175.7	0	0	0	0	0	111	F313 E314 L315	A311-F313 VanDerWaalsContact C-N 3.31Å; A311-F313 PolarHBondContact O-N 3.07Å; A311-E314 HydrophobicContact CB-CG 4.23Å; A311-E314 PolarHBondContact N-OE2 3.39Å; A311-E314 WeakPolarHBondContact O-CB 3.37Å; A311-E314 PolarHBondContact O-N 2.94Å; A311-E314 VanDerWaalsContact O-N 3.09Å; A311-L315 PolarHBondContact O-N 2.82Å
312	I	85	Confident	74.4	Confident	46 Å²	46	83.1 Å²	83.1	24%	0.236	45%	0.445	C	S	.	.	H	α-helix	trans	-57.3	-41.4	-177.8	-174.1	62.9	0	0	0	113.2	V225 E314 L315 L316	V225-I312 HydrophobicContact CG1-CB 3.92Å; V225-I312 HydrophobicContact CG1-CD1 4.4Å; V225-I312 HydrophobicContact CG1-CG1 3.56Å; V225-I312 HydrophobicContact CG1-CG2 3.7Å; I312-E314 VanDerWaalsContact C-N 3.3Å; I312-E314 PolarHBondContact O-N 3.22Å; I312-L315 HydrophobicContact CD1-CD2 4.1Å; I312-L315 WeakPolarHBondContact O-CB 3.42Å; I312-L315 PolarHBondContact O-N 3.37Å; I312-L316 HydrophobicContact CD1-CD2 4.29Å; I312-L316 HydrophobicContact CD1-CG 4.28Å; I312-L316 HydrophobicContact CG1-CD1 4.33Å; I312-L316 HydrophobicContact CG1-CG 4.24Å; I312-L316 WeakPolarHBondContact O-CG 3.41Å; I312-L316 PolarHBondContact O-N 3.14Å
313	F	86.3	Confident	77.2	Confident	171 Å²	171	79.7 Å²	79.7	75%	0.75	44%	0.441	S	S	*	.	H	α-helix	trans	-65.6	-36.4	179.8	-73.5	-70.2	0	0	0	112.1	A311 L315 L316 D317	A311-F313 VanDerWaalsContact C-N 3.31Å; A311-F313 PolarHBondContact O-N 3.07Å; F313-L315 VanDerWaalsContact C-N 3.33Å; F313-L316 PolarHBondContact O-N 3.23Å; F313-D317 VanDerWaalsContact O-CB 3.29Å; F313-D317 WeakPolarHBondContact O-CB 3.26Å; F313-D317 PolarHBondContact O-N 3.19Å
314	E	90	Very high	80.1	Confident	106 Å²	106	79.6 Å²	79.6	50%	0.495	43%	0.432	S	S	.	.	H	α-helix	trans	-65.7	-39	174.2	-64.3	165.3	-165.3	0	0	110.7	M310 A311 I312 D317 Y318	M310-E314 HydrophobicContact CG-CB 3.53Å; M310-E314 HydrophobicContact SD-CB 4.2Å; A311-E314 HydrophobicContact CB-CG 4.23Å; A311-E314 PolarHBondContact N-OE2 3.39Å; A311-E314 WeakPolarHBondContact O-CB 3.37Å; A311-E314 PolarHBondContact O-N 2.94Å; A311-E314 VanDerWaalsContact O-N 3.09Å; I312-E314 VanDerWaalsContact C-N 3.3Å; I312-E314 PolarHBondContact O-N 3.22Å; E314-D317 PolarHBondContact O-N 2.9Å; E314-Y318 WeakPolarHBondContact O-CB 3.17Å; E314-Y318 PolarHBondContact O-N 3.1Å
315	L	89.9	Confident	82.7	Confident	17 Å²	17	73.2 Å²	73.2	9%	0.089	39%	0.391	C	S	.	.	H	α-helix	trans	-63.6	-46.9	174.8	172.3	60	0	0	0	112	S229 F262 I264 M310 A311 I312 F313 D317 Y318 I319	S229-L315 WeakPolarHBondContact OG-CD2 3.33Å; F262-L315 HydrophobicContact CE1-CD1 3.74Å; F262-L315 HydrophobicContact CE1-CD2 4.02Å; F262-L315 HydrophobicContact CZ-CD1 4.27Å; F262-L315 HydrophobicContact CZ-CD2 4.36Å; I264-L315 HydrophobicContact CB-CD1 3.62Å; I264-L315 HydrophobicContact CD1-CD1 4.42Å; I264-L315 HydrophobicContact CG2-CD1 3.33Å; M310-L315 HydrophobicContact CG-CB 4.32Å; M310-L315 VanDerWaalsContact SD-CA 3.53Å; M310-L315 HydrophobicContact SD-CB 3.93Å; M310-L315 HydrophobicContact SD-CD1 4.43Å; A311-L315 PolarHBondContact O-N 2.82Å; I312-L315 HydrophobicContact CD1-CD2 4.1Å; I312-L315 WeakPolarHBondContact O-CB 3.42Å; I312-L315 PolarHBondContact O-N 3.37Å; F313-L315 VanDerWaalsContact C-N 3.33Å; L315-D317 VanDerWaalsContact C-N 3.32Å; L315-D317 PolarHBondContact O-N 3.15Å; L315-Y318 WeakPolarHBondContact O-CB 3.34Å; L315-Y318 PolarHBondContact O-N 2.91Å; L315-I319 HydrophobicContact CD1-CD1 4.19Å; L315-I319 HydrophobicContact CD1-CG1 4.41Å; L315-I319 HydrophobicContact CG-CD1 4.27Å; L315-I319 WeakPolarHBondContact O-CG1 3.35Å; L315-I319 PolarHBondContact O-N 2.88Å
316	L	90.3	Very high	85.2	Confident	27 Å²	27	71.6 Å²	71.6	14%	0.141	38%	0.377	C	S	.	.	H	α-helix	trans	-64.7	-39.2	178.2	-61.7	-174.6	0	0	0	111.4	R228 L236 I312 F313 I319 V320	R228-L316 HydrophobicContact CB-CD2 3.88Å; L236-L316 HydrophobicContact CD1-CB 4.35Å; L236-L316 HydrophobicContact CD1-CD2 3.94Å; L236-L316 HydrophobicContact CD2-CD1 4.44Å; L236-L316 HydrophobicContact CD2-CD2 3.82Å; I312-L316 HydrophobicContact CD1-CD2 4.29Å; I312-L316 HydrophobicContact CD1-CG 4.28Å; I312-L316 HydrophobicContact CG1-CD1 4.33Å; I312-L316 HydrophobicContact CG1-CG 4.24Å; I312-L316 WeakPolarHBondContact O-CG 3.41Å; I312-L316 PolarHBondContact O-N 3.14Å; F313-L316 PolarHBondContact O-N 3.23Å; L316-I319 HydrophobicContact CD2-CD1 4.47Å; L316-I319 PolarHBondContact O-N 2.86Å; L316-V320 VanDerWaalsContact O-CG2 3.32Å; L316-V320 WeakPolarHBondContact O-CG2 3.41Å; L316-V320 PolarHBondContact O-N 3.28Å
317	D	91.2	Very high	87.4	Confident	90 Å²	90	68.5 Å²	68.5	48%	0.481	35%	0.354	S	S	.	.	H	α-helix	trans	-63.7	-43.6	174.8	-165.7	81.2	0	0	0	111.4	F313 E314 L315 I319 V320 N321	F313-D317 VanDerWaalsContact O-CB 3.29Å; F313-D317 WeakPolarHBondContact O-CB 3.26Å; F313-D317 PolarHBondContact O-N 3.19Å; E314-D317 PolarHBondContact O-N 2.9Å; L315-D317 VanDerWaalsContact C-N 3.32Å; L315-D317 PolarHBondContact O-N 3.15Å; D317-I319 PolarHBondContact O-N 2.75Å; D317-V320 PolarHBondContact O-N 2.72Å; D317-V320 VanDerWaalsContact O-N 3.09Å; D317-N321 WeakPolarHBondContact O-CB 3.4Å; D317-N321 PolarHBondContact O-N 2.89Å; D317-N321 PolarHBondContact O-ND2 3.47Å; D317-N321 PolarHBondContact OD1-ND2 3.03Å; D317-N321 PolarHBondContact OD2-ND2 2.98Å
318	Y	93.4	Very high	89.1	Confident	36 Å²	36	60.9 Å²	60.9	14%	0.141	33%	0.327	C	S	.	.	H	α-helix	trans	-56.9	-49.8	175.3	-165.2	-73.3	0	0	0	111.3	I264 P265 P266 M310 E314 L315 V320 N321 E322	I264-Y318 HydrophobicContact CG2-CD1 3.29Å; I264-Y318 HydrophobicContact CG2-CD2 4.37Å; I264-Y318 HydrophobicContact CG2-CE1 3.88Å; I264-Y318 HydrophobicContact CG2-CG 3.61Å; P265-Y318 HydrophobicContact CB-CE2 4.31Å; P266-Y318 VanDerWaalsContact CD-CZ 3.49Å; P266-Y318 WeakPolarHBondContact CD-OH 3.39Å; P266-Y318 WeakPolarHBondContact CG-OH 3.36Å; M310-Y318 HydrophobicContact CE-CD2 4.16Å; E314-Y318 WeakPolarHBondContact O-CB 3.17Å; E314-Y318 PolarHBondContact O-N 3.1Å; L315-Y318 WeakPolarHBondContact O-CB 3.34Å; L315-Y318 PolarHBondContact O-N 2.91Å; Y318-V320 PolarHBondContact O-N 3.24Å; Y318-N321 PolarHBondContact O-N 3.19Å; Y318-E322 HydrophobicContact CD1-CB 3.63Å; Y318-E322 HydrophobicContact CD1-CG 4.2Å; Y318-E322 HydrophobicContact CD2-CB 3.92Å; Y318-E322 HydrophobicContact CD2-CG 3.59Å; Y318-E322 HydrophobicContact CE1-CB 3.52Å; Y318-E322 HydrophobicContact CE1-CG 4.29Å; Y318-E322 HydrophobicContact CE2-CB 3.79Å; Y318-E322 HydrophobicContact CE2-CG 3.67Å; Y318-E322 HydrophobicContact CG-CB 3.82Å; Y318-E322 HydrophobicContact CG-CG 3.84Å; Y318-E322 WeakPolarHBondContact O-CB 3.46Å; Y318-E322 PolarHBondContact O-N 3.26Å
319	I	93.8	Very high	90.6	Very high	3 Å²	3	59.4 Å²	59.4	2%	0.015	32%	0.324	C	S	.	.	H	α-helix	trans	-54.8	-41.2	177.7	-69.8	165.5	0	0	0	110.7	S229 P233 L236 W248 I264 L315 L316 D317 K345	S229-I319 WeakPolarHBondContact O-CD1 3.42Å; P233-I319 HydrophobicContact CB-CG2 4.46Å; P233-I319 HydrophobicContact CG-CG2 3.9Å; L236-I319 HydrophobicContact CD1-CB 3.98Å; L236-I319 HydrophobicContact CD1-CD1 4.26Å; L236-I319 HydrophobicContact CD1-CG2 3.66Å; W248-I319 HydrophobicContact CZ2-CG2 3.96Å; I264-I319 HydrophobicContact CD1-CD1 4.31Å; I264-I319 HydrophobicContact CD1-CG1 3.56Å; L315-I319 HydrophobicContact CD1-CD1 4.19Å; L315-I319 HydrophobicContact CD1-CG1 4.41Å; L315-I319 HydrophobicContact CG-CD1 4.27Å; L315-I319 WeakPolarHBondContact O-CG1 3.35Å; L315-I319 PolarHBondContact O-N 2.88Å; L316-I319 HydrophobicContact CD2-CD1 4.47Å; L316-I319 PolarHBondContact O-N 2.86Å; D317-I319 PolarHBondContact O-N 2.75Å; I319-K345 WeakPolarHBondContact O-CE 3.21Å; I319-K345 PolarHBondContact O-NZ 2.83Å
320	V	93.8	Very high	91.6	Very high	28 Å²	28	57.4 Å²	57.4	17%	0.17	31%	0.306	C	S	.	.	H	α-helix	trans	-80.2	-35.8	-175.4	176.8	0	0	0	0	113.2	L236 Q237 L316 D317 Y318 K345	L236-V320 HydrophobicContact CB-CG2 3.87Å; L236-V320 HydrophobicContact CD1-CG2 3.99Å; Q237-V320 HydrophobicContact CG-CG1 3.95Å; Q237-V320 HydrophobicContact CG-CG2 4.37Å; L316-V320 VanDerWaalsContact O-CG2 3.32Å; L316-V320 WeakPolarHBondContact O-CG2 3.41Å; L316-V320 PolarHBondContact O-N 3.28Å; D317-V320 PolarHBondContact O-N 2.72Å; D317-V320 VanDerWaalsContact O-N 3.09Å; Y318-V320 PolarHBondContact O-N 3.24Å; V320-K345 VanDerWaalsContact O-CE 3.29Å; V320-K345 WeakPolarHBondContact O-CE 3.46Å; V320-K345 PolarHBondContact O-NZ 3.3Å
321	N	93.9	Very high	92.5	Very high	94 Å²	94	55.5 Å²	55.5	50%	0.503	30%	0.296	S	S	.	.	H	α-helix	trans	-111.9	-27.7	-168.2	-62.7	-41.8	0	0	0	114.7	D317 Y318	D317-N321 WeakPolarHBondContact O-CB 3.4Å; D317-N321 PolarHBondContact O-N 2.89Å; D317-N321 PolarHBondContact O-ND2 3.47Å; D317-N321 PolarHBondContact OD1-ND2 3.03Å; D317-N321 PolarHBondContact OD2-ND2 2.98Å; Y318-N321 PolarHBondContact O-N 3.19Å
322	E	95.4	Very high	92.9	Very high	91 Å²	91	54.9 Å²	54.9	43%	0.425	29%	0.29	S	S	.	.	S	Bend	trans	-94.5	163.2	-175.5	-63.5	-64.9	156.5	0	0	112.3	Y318 K345	Y318-E322 HydrophobicContact CD1-CB 3.63Å; Y318-E322 HydrophobicContact CD1-CG 4.2Å; Y318-E322 HydrophobicContact CD2-CB 3.92Å; Y318-E322 HydrophobicContact CD2-CG 3.59Å; Y318-E322 HydrophobicContact CE1-CB 3.52Å; Y318-E322 HydrophobicContact CE1-CG 4.29Å; Y318-E322 HydrophobicContact CE2-CB 3.79Å; Y318-E322 HydrophobicContact CE2-CG 3.67Å; Y318-E322 HydrophobicContact CG-CB 3.82Å; Y318-E322 HydrophobicContact CG-CG 3.84Å; Y318-E322 WeakPolarHBondContact O-CB 3.46Å; Y318-E322 PolarHBondContact O-N 3.26Å; E322-K345 PolarHBondContact O-NZ 3.43Å
323	P	95.3	Very high	93.6	Very high	78 Å²	78	55.8 Å²	55.8	51%	0.506	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-57	145.4	174.3	-24.8	35.1	0	0	0	112.2
324	P	95.9	Very high	94.1	Very high	41 Å²	41	51.2 Å²	51.2	27%	0.266	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-64.1	150.4	175.3	28.3	-33.6	0	0	0	110.8	W248 L343	W248-P324 HydrophobicContact CH2-CB 4.07Å; W248-P324 HydrophobicContact CZ3-CB 4.34Å; P324-L343 HydrophobicContact CB-CB 3.94Å; P324-L343 VanDerWaalsContact CB-O 3.28Å; P324-L343 WeakPolarHBondContact CB-O 3.42Å; P324-L343 WeakPolarHBondContact CG-O 3.45Å
325	P	95.4	Very high	94.6	Very high	4 Å²	4	46.1 Å²	46.1	3%	0.026	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-64.8	151.5	174.7	27.6	-31.9	0	0	0	110.7	L252 P263 I264 L343	L252-P325 HydrophobicContact CD1-CG 3.51Å; P263-P325 HydrophobicContact CB-CB 3.88Å; P263-P325 HydrophobicContact CB-CG 4.15Å; P263-P325 HydrophobicContact CG-CB 4.4Å; P263-P325 HydrophobicContact CG-CG 4.11Å; I264-P325 HydrophobicContact CD1-CG 4.45Å; I264-P325 HydrophobicContact CG1-CG 4.14Å; P325-L343 HydrophobicContact CG-CD1 4.03Å; P325-L343 VanDerWaalsContact O-CD1 3.23Å; P325-L343 WeakPolarHBondContact O-CD1 3.2Å
326	K	94	Very high	95	Very high	107 Å²	107	47.6 Å²	47.6	47%	0.465	27%	0.268	S	S	.	.			trans	-125.2	158.9	176.2	-58	-176.9	-170.9	171.1	0	109.9	E283	E283-K326 IonicContact OE2-NZ 2.77Å; E283-K326 PolarHBondContact OE2-NZ 3.28Å
327	L	95.3	Very high	95.4	Very high	9 Å²	9	50.4 Å²	50.4	5%	0.047	28%	0.28	C	S	.	.			trans	-74	145.4	167.9	-74.1	172.1	0	0	0	110.4	V255 A258 I259 F331 F335 Q336 V339	V255-L327 HydrophobicContact CB-CD2 4.44Å; V255-L327 HydrophobicContact CG1-CD2 4.23Å; V255-L327 HydrophobicContact CG2-CD2 4.33Å; V255-L327 HydrophobicContact CG2-CG 4.35Å; A258-L327 HydrophobicContact CB-CD2 3.65Å; I259-L327 HydrophobicContact CG1-CD2 4.45Å; L327-F331 HydrophobicContact CB-CD2 3.95Å; L327-F331 HydrophobicContact CD1-CB 4.48Å; L327-F331 HydrophobicContact CD1-CD2 4.49Å; L327-F331 HydrophobicContact CD1-CG 4.44Å; L327-F331 HydrophobicContact CD2-CD2 3.9Å; L327-F331 HydrophobicContact CD2-CE2 3.89Å; L327-F331 HydrophobicContact CD2-CZ 4.5Å; L327-F331 HydrophobicContact CG-CD2 4.34Å; L327-F335 HydrophobicContact CD1-CD1 3.41Å; L327-F335 VanDerWaalsContact CD1-CD1 3.41Å; L327-F335 HydrophobicContact CD1-CD2 4.11Å; L327-F335 HydrophobicContact CD1-CE1 3.43Å; L327-F335 VanDerWaalsContact CD1-CE1 3.43Å; L327-F335 HydrophobicContact CD1-CE2 4.12Å; L327-F335 HydrophobicContact CD1-CG 3.76Å; L327-F335 HydrophobicContact CD1-CZ 3.79Å; L327-F335 HydrophobicContact CD2-CE1 4.36Å; L327-Q336 HydrophobicContact CB-CG 3.97Å; L327-V339 HydrophobicContact CD1-CB 4.13Å; L327-V339 HydrophobicContact CD1-CG2 3.72Å; L327-V339 HydrophobicContact CG-CG1 4.46Å; L327-V339 HydrophobicContact CG-CG2 4.39Å
328	P	93.9	Very high	95.7	Very high	13 Å²	13	46.1 Å²	46.1	8%	0.084	26%	0.257	C	S	.	.			trans	-67.1	158.3	171.2	23.7	-29.8	0	0	0	112.3	L272 F276 V280 I330 F331	L272-P328 HydrophobicContact CD2-CB 4.39Å; L272-P328 HydrophobicContact CD2-CG 4.28Å; F276-P328 HydrophobicContact CE2-CG 3.94Å; F276-P328 HydrophobicContact CZ-CG 4.17Å; V280-P328 HydrophobicContact CG1-CB 3.74Å; P328-I330 HydrophobicContact CB-CG1 4.29Å; P328-I330 HydrophobicContact CG-CD1 4.04Å; P328-I330 HydrophobicContact CG-CG1 3.97Å; P328-I330 PolarHBondContact O-N 3.46Å; P328-F331 HydrophobicContact CG-CD2 3.84Å; P328-F331 HydrophobicContact CG-CE2 3.62Å; P328-F331 WeakPolarHBondContact O-CD2 3.45Å; P328-F331 PolarHBondContact O-N 3.12Å
329	A	91.1	Very high	96	Very high	70 Å²	70	44.4 Å²	44.4	58%	0.579	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	2.8	-174.6	0	0	0	0	0	115.9
330	I	93.3	Very high	96.2	Very high	65 Å²	65	47.2 Å²	47.2	33%	0.333	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-19.8	176.1	65.7	177.9	0	0	0	113	F276 F278 V280 P328	F276-I330 HydrophobicContact CD1-CD1 3.25Å; F276-I330 HydrophobicContact CD2-CD1 3.82Å; F276-I330 HydrophobicContact CE1-CD1 3.13Å; F276-I330 HydrophobicContact CE2-CD1 3.71Å; F276-I330 HydrophobicContact CG-CD1 3.62Å; F276-I330 HydrophobicContact CZ-CD1 3.38Å; F278-I330 HydrophobicContact CE2-CG2 3.65Å; F278-I330 HydrophobicContact CZ-CG2 3.84Å; V280-I330 HydrophobicContact CG1-CG2 3.98Å; V280-I330 HydrophobicContact CG2-CG2 3.85Å; P328-I330 HydrophobicContact CB-CG1 4.29Å; P328-I330 HydrophobicContact CG-CD1 4.04Å; P328-I330 HydrophobicContact CG-CG1 3.97Å; P328-I330 PolarHBondContact O-N 3.46Å
331	F	96.8	Very high	96.4	Very high	26 Å²	26	49.1 Å²	49.1	11%	0.114	27%	0.271	C	S	.	.	S	Bend	trans	-86.3	160.9	178.1	-67	-75.4	0	0	0	110.2	E164 A258 F276 L327 P328 F335 Q336	E164-F331 HydrophobicContact CB-CD1 4.4Å; E164-F331 WeakPolarHBondContact OE2-CD1 3.39Å; A258-F331 HydrophobicContact CB-CE1 3.94Å; A258-F331 HydrophobicContact CB-CE2 4.29Å; A258-F331 HydrophobicContact CB-CZ 3.68Å; F276-F331 HydrophobicContact CE1-CZ 4.4Å; F276-F331 HydrophobicContact CZ-CE2 4.25Å; F276-F331 HydrophobicContact CZ-CZ 4.35Å; L327-F331 HydrophobicContact CB-CD2 3.95Å; L327-F331 HydrophobicContact CD1-CB 4.48Å; L327-F331 HydrophobicContact CD1-CD2 4.49Å; L327-F331 HydrophobicContact CD1-CG 4.44Å; L327-F331 HydrophobicContact CD2-CD2 3.9Å; L327-F331 HydrophobicContact CD2-CE2 3.89Å; L327-F331 HydrophobicContact CD2-CZ 4.5Å; L327-F331 HydrophobicContact CG-CD2 4.34Å; P328-F331 HydrophobicContact CG-CD2 3.84Å; P328-F331 HydrophobicContact CG-CE2 3.62Å; P328-F331 WeakPolarHBondContact O-CD2 3.45Å; P328-F331 PolarHBondContact O-N 3.12Å; F331-F335 HydrophobicContact CB-CD1 4.05Å; F331-F335 AromaticContact CD1-CD1 3.9Å; F331-F335 HydrophobicContact CD1-CD1 3.9Å; F331-F335 HydrophobicContact CD1-CE1 4.05Å; F331-F335 HydrophobicContact CE1-CE1 4.44Å; F331-F335 HydrophobicContact CG-CD1 4.13Å; F331-F335 HydrophobicContact CG-CE1 4.48Å; F331-Q336 HydrophobicContact CB-CG 4.27Å; F331-Q336 PolarHBondContact O-NE2 3.49Å
332	S	98	Very high	96.6	Very high	31 Å²	31	44.7 Å²	44.7	22%	0.217	25%	0.248	C	C	.	.			trans	-57.9	152	177.4	73.8	0	0	0	0	111.9	E164 E334 F335 Q336	E164-S332 WeakPolarHBondContact OE1-CB 3.26Å; E164-S332 PolarHBondContact OE1-OG 3.44Å; E164-S332 PolarHBondContact OE2-N 3.32Å; S332-E334 WeakPolarHBondContact CB-OE2 3.42Å; S332-E334 PolarHBondContact O-N 2.93Å; S332-F335 PolarHBondContact O-N 3.46Å; S332-F335 VanDerWaalsContact OG-CB 3.3Å; S332-F335 WeakPolarHBondContact OG-CB 3.38Å; S332-F335 PolarHBondContact OG-N 2.94Å; S332-Q336 WeakPolarHBondContact O-CG 3.4Å; S332-Q336 PolarHBondContact O-N 3.48Å
333	A	98	Very high	96.8	Very high	65 Å²	65	40.4 Å²	40.4	54%	0.537	23%	0.228	S	C	.	.	H	α-helix	trans	-61.8	-35	176.8	0	0	0	0	0	110.7	Q336 E337	A333-Q336 PolarHBondContact O-N 3.29Å; A333-E337 WeakPolarHBondContact O-CB 3.33Å; A333-E337 PolarHBondContact O-N 3.19Å
334	E	98.4	Very high	96.9	Very high	74 Å²	74	39.1 Å²	39.1	35%	0.346	22%	0.216	S	C	.	.	H	α-helix	trans	-64.6	-43	178.2	-64.6	71.7	-160.2	0	0	111.5	S332 F338 H359 P360 F361	S332-E334 WeakPolarHBondContact CB-OE2 3.42Å; S332-E334 PolarHBondContact O-N 2.93Å; E334-F338 VanDerWaalsContact O-CB 3.28Å; E334-F338 WeakPolarHBondContact O-CB 3.33Å; E334-F338 PolarHBondContact O-N 3.26Å; E334-H359 PolarHBondContact O-CE1 3.47Å; E334-P360 HydrophobicContact CG-CB 4.23Å; E334-F361 HydrophobicContact CB-CB 4.1Å
335	F	98.7	Very high	97	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-70.9	-41.6	177.7	-174.4	-147.9	0	0	0	111.9	E164 L167 L254 A258 L327 F331 S332 E337 F338 V339 F361	E164-F335 HydrophobicContact CB-CD1 4.34Å; E164-F335 HydrophobicContact CG-CB 4.16Å; E164-F335 HydrophobicContact CG-CD1 3.53Å; E164-F335 HydrophobicContact CG-CE1 4.1Å; E164-F335 HydrophobicContact CG-CG 3.96Å; E164-F335 WeakPolarHBondContact OE1-CB 3.24Å; L167-F335 HydrophobicContact CB-CZ 4.19Å; L167-F335 HydrophobicContact CD1-CE1 4.06Å; L167-F335 HydrophobicContact CD1-CZ 3.77Å; L254-F335 HydrophobicContact CB-CE2 4.41Å; L254-F335 HydrophobicContact CB-CZ 4.38Å; A258-F335 HydrophobicContact CB-CE1 4.02Å; A258-F335 HydrophobicContact CB-CZ 4.34Å; L327-F335 HydrophobicContact CD1-CD1 3.41Å; L327-F335 VanDerWaalsContact CD1-CD1 3.41Å; L327-F335 HydrophobicContact CD1-CD2 4.11Å; L327-F335 HydrophobicContact CD1-CE1 3.43Å; L327-F335 VanDerWaalsContact CD1-CE1 3.43Å; L327-F335 HydrophobicContact CD1-CE2 4.12Å; L327-F335 HydrophobicContact CD1-CG 3.76Å; L327-F335 HydrophobicContact CD1-CZ 3.79Å; L327-F335 HydrophobicContact CD2-CE1 4.36Å; F331-F335 HydrophobicContact CB-CD1 4.05Å; F331-F335 AromaticContact CD1-CD1 3.9Å; F331-F335 HydrophobicContact CD1-CD1 3.9Å; F331-F335 HydrophobicContact CD1-CE1 4.05Å; F331-F335 HydrophobicContact CE1-CE1 4.44Å; F331-F335 HydrophobicContact CG-CD1 4.13Å; F331-F335 HydrophobicContact CG-CE1 4.48Å; S332-F335 PolarHBondContact O-N 3.46Å; S332-F335 VanDerWaalsContact OG-CB 3.3Å; S332-F335 WeakPolarHBondContact OG-CB 3.38Å; S332-F335 PolarHBondContact OG-N 2.94Å; F335-E337 PolarHBondContact O-N 3.44Å; F335-F338 HydrophobicContact CD2-CD1 4.46Å; F335-F338 PolarHBondContact O-N 2.88Å; F335-V339 HydrophobicContact CD2-CG2 3.99Å; F335-V339 HydrophobicContact CE2-CG2 3.62Å; F335-V339 HydrophobicContact CZ-CG2 4.22Å; F335-V339 PolarHBondContact O-N 2.95Å; F335-F361 HydrophobicContact CB-CD2 3.69Å; F335-F361 HydrophobicContact CB-CE2 3.58Å; F335-F361 HydrophobicContact CB-CG 4.44Å; F335-F361 HydrophobicContact CB-CZ 4.25Å; F335-F361 HydrophobicContact CD2-CD1 4.15Å; F335-F361 HydrophobicContact CD2-CD2 4.11Å; F335-F361 AromaticContact CD2-CE1 3.62Å; F335-F361 HydrophobicContact CD2-CE1 3.62Å; F335-F361 AromaticContact CD2-CE2 3.59Å; F335-F361 HydrophobicContact CD2-CE2 3.59Å; F335-F361 HydrophobicContact CD2-CG 4.37Å; F335-F361 AromaticContact CD2-CZ 3.31Å; F335-F361 HydrophobicContact CD2-CZ 3.31Å; F335-F361 AromaticContact CE2-CE1 3.99Å; F335-F361 HydrophobicContact CE2-CE1 3.99Å; F335-F361 HydrophobicContact CE2-CE2 4.43Å; F335-F361 AromaticContact CE2-CZ 3.76Å; F335-F361 HydrophobicContact CE2-CZ 3.76Å; F335-F361 HydrophobicContact CG-CD2 4.22Å; F335-F361 AromaticContact CG-CE2 3.69Å; F335-F361 HydrophobicContact CG-CE2 3.69Å; F335-F361 AromaticContact CG-CZ 3.87Å; F335-F361 HydrophobicContact CG-CZ 3.87Å
336	Q	98.6	Very high	97	Very high	47 Å²	47	42.7 Å²	42.7	22%	0.22	23%	0.23	C	C	.	.	H	α-helix	trans	-57.4	-48.6	172.6	-69.6	178.7	64.7	0	0	111.1	L327 F331 S332 A333 F338 V339 N340	L327-Q336 HydrophobicContact CB-CG 3.97Å; F331-Q336 HydrophobicContact CB-CG 4.27Å; F331-Q336 PolarHBondContact O-NE2 3.49Å; S332-Q336 WeakPolarHBondContact O-CG 3.4Å; S332-Q336 PolarHBondContact O-N 3.48Å; A333-Q336 PolarHBondContact O-N 3.29Å; Q336-F338 PolarHBondContact O-N 3.48Å; Q336-V339 PolarHBondContact O-N 3.03Å; Q336-N340 WeakPolarHBondContact O-CB 3.23Å; Q336-N340 PolarHBondContact O-N 3.18Å; Q336-N340 PolarHBondContact O-ND2 3.45Å; Q336-N340 VanDerWaalsContact O-ND2 3.12Å
337	E	98.4	Very high	97.1	Very high	87 Å²	87	39.4 Å²	39.4	41%	0.407	22%	0.22	S	C	.	.	H	α-helix	trans	-62.5	-42.9	178	-169	-170.5	178.1	0	0	112.1	A333 F335 V339 N340 K341 H359	A333-E337 WeakPolarHBondContact O-CB 3.33Å; A333-E337 PolarHBondContact O-N 3.19Å; F335-E337 PolarHBondContact O-N 3.44Å; E337-V339 PolarHBondContact O-N 3.35Å; E337-N340 PolarHBondContact O-N 3.39Å; E337-K341 PolarHBondContact O-N 2.97Å; E337-K341 WeakPolarHBondContact OE1-CE 3.16Å; E337-K341 IonicContact OE1-NZ 2.75Å; E337-K341 PolarHBondContact OE1-NZ 2.97Å; E337-H359 IonicContact OE2-CE1 2.69Å; E337-H359 IonicContact OE2-NE2 2.68Å
338	F	98.8	Very high	97.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-58.3	-49.2	178.5	177.9	-99.1	0	0	0	111.8	I175 M250 L254 E334 F335 Q336 K341 C342 L356 H359 F361 I362	I175-F338 HydrophobicContact CD1-CE2 4.14Å; I175-F338 HydrophobicContact CD1-CZ 3.94Å; M250-F338 HydrophobicContact CE-CE1 4.19Å; M250-F338 HydrophobicContact CE-CZ 3.87Å; L254-F338 HydrophobicContact CD1-CD1 4.23Å; L254-F338 HydrophobicContact CD1-CE1 3.61Å; E334-F338 VanDerWaalsContact O-CB 3.28Å; E334-F338 WeakPolarHBondContact O-CB 3.33Å; E334-F338 PolarHBondContact O-N 3.26Å; F335-F338 HydrophobicContact CD2-CD1 4.46Å; F335-F338 PolarHBondContact O-N 2.88Å; Q336-F338 PolarHBondContact O-N 3.48Å; F338-K341 PolarHBondContact O-N 3.23Å; F338-C342 PolarHBondContact O-N 2.65Å; F338-C342 PolarHBondContact O-SG 3.16Å; F338-L356 HydrophobicContact CD2-CD2 3.99Å; F338-L356 HydrophobicContact CE2-CB 4.1Å; F338-L356 HydrophobicContact CE2-CD2 3.65Å; F338-L356 HydrophobicContact CE2-CG 4.36Å; F338-L356 HydrophobicContact CZ-CD2 4.32Å; F338-H359 HydrophobicContact CD2-CB 3.95Å; F338-H359 AromaticContact CD2-CG 3.73Å; F338-H359 AromaticContact CD2-ND1 3.73Å; F338-H359 HydrophobicContact CE2-CB 4.4Å; F338-F361 HydrophobicContact CB-CB 3.88Å; F338-F361 HydrophobicContact CB-CD1 3.92Å; F338-F361 HydrophobicContact CB-CG 4.08Å; F338-F361 AromaticContact CD1-CD1 3.66Å; F338-F361 HydrophobicContact CD1-CD1 3.66Å; F338-F361 AromaticContact CD1-CE1 3.98Å; F338-F361 HydrophobicContact CD1-CE1 3.98Å; F338-F361 HydrophobicContact CD2-CB 4.38Å; F338-F361 AromaticContact CD2-CD1 3.99Å; F338-F361 HydrophobicContact CD2-CD1 3.99Å; F338-F361 HydrophobicContact CE1-CD1 4.14Å; F338-F361 HydrophobicContact CE1-CE1 4.26Å; F338-F361 HydrophobicContact CE2-CD1 4.43Å; F338-F361 HydrophobicContact CG-CB 4.23Å; F338-F361 AromaticContact CG-CD1 3.58Å; F338-F361 HydrophobicContact CG-CD1 3.58Å; F338-F361 HydrophobicContact CG-CE1 4.36Å; F338-F361 HydrophobicContact CG-CG 4.21Å; F338-I362 HydrophobicContact CD2-CG1 4.13Å; F338-I362 HydrophobicContact CE2-CD1 3.8Å; F338-I362 HydrophobicContact CE2-CG1 3.53Å; F338-I362 HydrophobicContact CZ-CD1 3.87Å; F338-I362 HydrophobicContact CZ-CG1 4.14Å
339	V	98.6	Very high	97.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-65.7	-41.8	177.4	168.6	0	0	0	0	111.4	L254 V255 L327 F335 Q336 E337 K341 C342 L343	L254-V339 HydrophobicContact CB-CG2 4.22Å; L254-V339 HydrophobicContact CD1-CG2 4.49Å; V255-V339 HydrophobicContact CG2-CG1 3.35Å; L327-V339 HydrophobicContact CD1-CB 4.13Å; L327-V339 HydrophobicContact CD1-CG2 3.72Å; L327-V339 HydrophobicContact CG-CG1 4.46Å; L327-V339 HydrophobicContact CG-CG2 4.39Å; F335-V339 HydrophobicContact CD2-CG2 3.99Å; F335-V339 HydrophobicContact CE2-CG2 3.62Å; F335-V339 HydrophobicContact CZ-CG2 4.22Å; F335-V339 PolarHBondContact O-N 2.95Å; Q336-V339 PolarHBondContact O-N 3.03Å; E337-V339 PolarHBondContact O-N 3.35Å; V339-K341 VanDerWaalsContact C-N 3.29Å; V339-K341 PolarHBondContact O-N 3.15Å; V339-C342 WeakPolarHBondContact O-CA 3.39Å; V339-C342 WeakPolarHBondContact O-CB 3.49Å; V339-C342 PolarHBondContact O-N 3.09Å; V339-L343 HydrophobicContact CG1-CD1 3.69Å; V339-L343 HydrophobicContact CG1-CG 4.31Å; V339-L343 PolarHBondContact O-N 3.25Å
340	N	98.5	Very high	97.6	Very high	61 Å²	61	45.7 Å²	45.7	33%	0.326	25%	0.251	S	S	.	.	H	α-helix	trans	-58.3	-42	177.4	-72.3	-23	0	0	0	111.5	Q336 E337 C342 L343 I344	Q336-N340 WeakPolarHBondContact O-CB 3.23Å; Q336-N340 PolarHBondContact O-N 3.18Å; Q336-N340 PolarHBondContact O-ND2 3.45Å; Q336-N340 VanDerWaalsContact O-ND2 3.12Å; E337-N340 PolarHBondContact O-N 3.39Å; N340-C342 VanDerWaalsContact C-N 3.31Å; N340-C342 PolarHBondContact O-N 3.43Å; N340-L343 PolarHBondContact O-N 3.08Å; N340-I344 WeakPolarHBondContact O-CG1 3.48Å; N340-I344 PolarHBondContact O-N 3.41Å
341	K	98.6	Very high	97.9	Very high	69 Å²	69	42.9 Å²	42.9	30%	0.3	24%	0.237	S	C	.	.	H	α-helix	trans	-65.4	-31.4	175	-77.8	178.7	-175	155	0	113.3	E337 F338 V339 R350 A351 H359	E337-K341 PolarHBondContact O-N 2.97Å; E337-K341 WeakPolarHBondContact OE1-CE 3.16Å; E337-K341 IonicContact OE1-NZ 2.75Å; E337-K341 PolarHBondContact OE1-NZ 2.97Å; F338-K341 PolarHBondContact O-N 3.23Å; V339-K341 VanDerWaalsContact C-N 3.29Å; V339-K341 PolarHBondContact O-N 3.15Å; K341-R350 WeakPolarHBondContact O-CG 3.38Å; K341-A351 HydrophobicContact CB-CB 3.96Å; K341-A351 PolarHBondContact O-N 2.74Å; K341-H359 PolarHBondContact NZ-CD2 3.27Å; K341-H359 PolarHBondContact NZ-NE2 3.11Å
342	C	98.7	Very high	97.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-72.6	-33.2	174.6	-64.1	0	0	0	0	112.3	I247 W248 F338 V339 N340 R350	I247-C342 HydrophobicContact CG2-CB 4Å; W248-C342 WeakPolarHBondContact CA-O 3.46Å; F338-C342 PolarHBondContact O-N 2.65Å; F338-C342 PolarHBondContact O-SG 3.16Å; V339-C342 WeakPolarHBondContact O-CA 3.39Å; V339-C342 WeakPolarHBondContact O-CB 3.49Å; V339-C342 PolarHBondContact O-N 3.09Å; N340-C342 VanDerWaalsContact C-N 3.31Å; N340-C342 PolarHBondContact O-N 3.43Å; C342-R350 WeakPolarHBondContact O-CD 3.36Å; C342-R350 WeakPolarHBondContact O-CG 3.4Å; C342-R350 PolarHBondContact O-NE 3Å
343	L	98.6	Very high	97.9	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	17.3	-173.3	-65.8	178.6	0	0	0	114.2	W248 L252 V255 P324 P325 V339 N340 K345	W248-L343 HydrophobicContact CD2-CD2 3.9Å; W248-L343 HydrophobicContact CE3-CD2 4.02Å; W248-L343 HydrophobicContact CG-CD2 4.35Å; W248-L343 HydrophobicContact CZ2-CD2 4.42Å; W248-L343 HydrophobicContact CZ3-CB 4.39Å; W248-L343 HydrophobicContact CZ3-CD2 4.35Å; W248-L343 WeakPolarHBondContact CZ3-O 3.45Å; L252-L343 HydrophobicContact CB-CD2 4.24Å; L252-L343 HydrophobicContact CD1-CD2 4.45Å; V255-L343 HydrophobicContact CG2-CD1 3.99Å; P324-L343 HydrophobicContact CB-CB 3.94Å; P324-L343 VanDerWaalsContact CB-O 3.28Å; P324-L343 WeakPolarHBondContact CB-O 3.42Å; P324-L343 WeakPolarHBondContact CG-O 3.45Å; P325-L343 HydrophobicContact CG-CD1 4.03Å; P325-L343 VanDerWaalsContact O-CD1 3.23Å; P325-L343 WeakPolarHBondContact O-CD1 3.2Å; V339-L343 HydrophobicContact CG1-CD1 3.69Å; V339-L343 HydrophobicContact CG1-CG 4.31Å; V339-L343 PolarHBondContact O-N 3.25Å; N340-L343 PolarHBondContact O-N 3.08Å; L343-K345 PolarHBondContact O-N 2.65Å
344	I	98.4	Very high	97.9	Very high	51 Å²	51	47.6 Å²	47.6	26%	0.262	25%	0.245	S	C	.	.			trans	-63	124.7	168.9	-61.8	177.1	0	0	0	108.9	N340 N346 E349 R350	N340-I344 WeakPolarHBondContact O-CG1 3.48Å; N340-I344 PolarHBondContact O-N 3.41Å; I344-N346 HydrophobicContact CG2-CB 4.41Å; I344-N346 WeakPolarHBondContact CG2-O 3.39Å; I344-E349 WeakPolarHBondContact CD1-O 3.13Å; I344-E349 HydrophobicContact CG2-CB 3.79Å; I344-R350 HydrophobicContact CB-CB 4.07Å; I344-R350 HydrophobicContact CB-CG 4.44Å; I344-R350 VanDerWaalsContact O-CZ 3.28Å; I344-R350 PolarHBondContact O-NE 3.5Å; I344-R350 PolarHBondContact O-NH2 2.92Å
345	K	96.2	Very high	97.8	Very high	53 Å²	53	49.3 Å²	49.3	23%	0.23	25%	0.253	C	S	.	.	S	Bend	trans	-66.8	-40.2	-176.2	-63.8	-174	70.1	154.9	0	112.3	P233 W248 I319 V320 E322 L343 P347 R350	P233-K345 HydrophobicContact CG-CB 4.41Å; P233-K345 HydrophobicContact CG-CG 4.34Å; W248-K345 HydrophobicContact CH2-CG 4.1Å; W248-K345 HydrophobicContact CZ3-CG 3.91Å; I319-K345 WeakPolarHBondContact O-CE 3.21Å; I319-K345 PolarHBondContact O-NZ 2.83Å; V320-K345 VanDerWaalsContact O-CE 3.29Å; V320-K345 WeakPolarHBondContact O-CE 3.46Å; V320-K345 PolarHBondContact O-NZ 3.3Å; E322-K345 PolarHBondContact O-NZ 3.43Å; L343-K345 PolarHBondContact O-N 2.65Å; K345-P347 VanDerWaalsContact O-CD 3.24Å; K345-P347 WeakPolarHBondContact O-CD 3.28Å; K345-R350 PolarHBondContact O-NH2 3.09Å
346	N	96.3	Very high	97.8	Very high	68 Å²	68	49.3 Å²	49.3	36%	0.364	25%	0.253	S	S	.	.	S	Bend	trans	-70.6	111.1	173.4	-177.1	-4.6	0	0	0	109.8	I344 A348 E349 R350	I344-N346 HydrophobicContact CG2-CB 4.41Å; I344-N346 WeakPolarHBondContact CG2-O 3.39Å; N346-A348 PolarHBondContact O-N 3.03Å; N346-A348 VanDerWaalsContact O-N 3.14Å; N346-A348 WeakPolarHBondContact OD1-CB 3.3Å; N346-A348 PolarHBondContact OD1-N 3.47Å; N346-A348 VanDerWaalsContact OD1-N 3.11Å; N346-E349 HydrophobicContact CB-CB 4.28Å; N346-E349 HydrophobicContact CB-CG 4.4Å; N346-E349 VanDerWaalsContact ND2-CD 3.33Å; N346-E349 PolarHBondContact ND2-OE1 3.34Å; N346-E349 PolarHBondContact O-N 2.8Å; N346-E349 VanDerWaalsContact O-N 3.11Å; N346-R350 PolarHBondContact O-N 3.05Å
347	P	96.3	Very high	97.8	Very high	37 Å²	37	49 Å²	49	24%	0.24	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-20	-176	27.9	-36.5	0	0	0	113.6	E234 Q244 K345	E234-P347 HydrophobicContact CB-CG 4.09Å; E234-P347 HydrophobicContact CG-CB 4.17Å; E234-P347 HydrophobicContact CG-CG 4Å; Q244-P347 HydrophobicContact CB-CB 4.03Å; Q244-P347 HydrophobicContact CG-CB 4.49Å; Q244-P347 WeakPolarHBondContact CG-O 3.3Å; Q244-P347 PolarHBondContact NE2-O 3.3Å; K345-P347 VanDerWaalsContact O-CD 3.24Å; K345-P347 WeakPolarHBondContact O-CD 3.28Å
348	A	95.8	Very high	97.8	Very high	90 Å²	90	49.5 Å²	49.5	74%	0.744	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-25.5	177	0	0	0	0	0	113.3	N346	N346-A348 PolarHBondContact O-N 3.03Å; N346-A348 VanDerWaalsContact O-N 3.14Å; N346-A348 WeakPolarHBondContact OD1-CB 3.3Å; N346-A348 PolarHBondContact OD1-N 3.47Å; N346-A348 VanDerWaalsContact OD1-N 3.11Å
349	E	97.3	Very high	97.7	Very high	131 Å²	131	49.8 Å²	49.8	61%	0.612	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-21.1	176.7	-71.2	167	-153.7	0	0	112.2	I344 N346	I344-E349 WeakPolarHBondContact CD1-O 3.13Å; I344-E349 HydrophobicContact CG2-CB 3.79Å; N346-E349 HydrophobicContact CB-CB 4.28Å; N346-E349 HydrophobicContact CB-CG 4.4Å; N346-E349 VanDerWaalsContact ND2-CD 3.33Å; N346-E349 PolarHBondContact ND2-OE1 3.34Å; N346-E349 PolarHBondContact O-N 2.8Å; N346-E349 VanDerWaalsContact O-N 3.11Å
350	R	98.3	Very high	97.7	Very high	3 Å²	3	53 Å²	53	1%	0.011	28%	0.284	C	S	.	.	S	Bend	trans	-57.2	136.9	173	-168.1	-176.6	-61.3	150.6	9.3	110	E234 Q244 I247 K341 C342 I344 K345 N346	E234-R350 IonicContact OE1-CZ 3.66Å; E234-R350 IonicContact OE1-NH1 3.98Å; E234-R350 PolarHBondContact OE1-NH1 3.08Å; E234-R350 IonicContact OE1-NH2 2.79Å; E234-R350 IonicContact OE2-CZ 2.84Å; E234-R350 IonicContact OE2-NH1 2.72Å; E234-R350 PolarHBondContact OE2-NH1 3.3Å; E234-R350 IonicContact OE2-NH2 2.94Å; E234-R350 PolarHBondContact OE2-NH2 3.19Å; Q244-R350 VanDerWaalsContact C-NH1 3.29Å; Q244-R350 PolarHBondContact NE2-O 3.48Å; Q244-R350 WeakPolarHBondContact O-CD 3.45Å; Q244-R350 PolarHBondContact O-NH1 2.81Å; I247-R350 HydrophobicContact CG2-CG 4.17Å; K341-R350 WeakPolarHBondContact O-CG 3.38Å; C342-R350 WeakPolarHBondContact O-CD 3.36Å; C342-R350 WeakPolarHBondContact O-CG 3.4Å; C342-R350 PolarHBondContact O-NE 3Å; I344-R350 HydrophobicContact CB-CB 4.07Å; I344-R350 HydrophobicContact CB-CG 4.44Å; I344-R350 VanDerWaalsContact O-CZ 3.28Å; I344-R350 PolarHBondContact O-NE 3.5Å; I344-R350 PolarHBondContact O-NH2 2.92Å; K345-R350 PolarHBondContact O-NH2 3.09Å; N346-R350 PolarHBondContact O-N 3.05Å
351	A	98.1	Very high	97.8	Very high	6 Å²	6	50.4 Å²	50.4	5%	0.05	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-59	142.2	179	0	0	0	0	0	111.1	Q244 I247 K341 Q355 L356	Q244-A351 PolarHBondContact NE2-O 2.98Å; I247-A351 WeakPolarHBondContact CD1-O 3.33Å; K341-A351 HydrophobicContact CB-CB 3.96Å; K341-A351 PolarHBondContact O-N 2.74Å; A351-Q355 VanDerWaalsContact CA-OE1 3.27Å; A351-Q355 HydrophobicContact CB-CB 4.28Å; A351-L356 HydrophobicContact CB-CD2 3.67Å; A351-L356 HydrophobicContact CB-CG 3.92Å
352	D	97.8	Very high	97.7	Very high	60 Å²	60	47.1 Å²	47.1	32%	0.321	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-88.5	170.1	172.1	75.3	26.2	0	0	0	112	K354 Q355 L356	D352-K354 PolarHBondContact O-N 3.24Å; D352-K354 WeakPolarHBondContact OD1-CA 3.35Å; D352-K354 WeakPolarHBondContact OD1-CB 3.41Å; D352-K354 PolarHBondContact OD1-N 3.19Å; D352-Q355 PolarHBondContact O-N 2.91Å; D352-Q355 WeakPolarHBondContact OD1-CG 3.38Å; D352-Q355 PolarHBondContact OD1-N 2.91Å; D352-L356 WeakPolarHBondContact O-CG 3.44Å; D352-L356 PolarHBondContact O-N 3.43Å
353	L	97.6	Very high	97.7	Very high	14 Å²	14	51.7 Å²	51.7	7%	0.073	28%	0.275	C	S	.	.	H	α-helix	trans	-58.4	-31.5	-178.7	-66	175.6	0	0	0	113.4	I175 L178 V243 I247 M357	I175-L353 HydrophobicContact CG2-CB 4.44Å; I175-L353 HydrophobicContact CG2-CD2 4.08Å; L178-L353 HydrophobicContact CB-CD1 4.04Å; L178-L353 HydrophobicContact CB-CD2 3.93Å; L178-L353 HydrophobicContact CD1-CD2 4.22Å; V243-L353 HydrophobicContact CG2-CD1 3.73Å; V243-L353 HydrophobicContact CG2-CG 4.24Å; I247-L353 HydrophobicContact CD1-CD2 4.04Å; I247-L353 HydrophobicContact CD1-CG 4.15Å; I247-L353 HydrophobicContact CG1-CD2 3.99Å; L353-M357 WeakPolarHBondContact O-CB 3.47Å; L353-M357 PolarHBondContact O-N 3.01Å; L353-M357 VanDerWaalsContact O-N 3.07Å
354	K	97.1	Very high	97.7	Very high	148 Å²	148	55.8 Å²	55.8	64%	0.643	29%	0.294	S	S	*	.	H	α-helix	trans	-73.5	-43.8	-179.8	-64	-178.6	177.1	-176.6	0	110.4	D352 L356 M357 V358	D352-K354 PolarHBondContact O-N 3.24Å; D352-K354 WeakPolarHBondContact OD1-CA 3.35Å; D352-K354 WeakPolarHBondContact OD1-CB 3.41Å; D352-K354 PolarHBondContact OD1-N 3.19Å; K354-L356 VanDerWaalsContact C-N 3.33Å; K354-M357 PolarHBondContact O-N 3.43Å; K354-V358 PolarHBondContact O-N 3.45Å
355	Q	98.1	Very high	97.6	Very high	110 Å²	110	53.4 Å²	53.4	51%	0.514	28%	0.282	S	S	.	.	H	α-helix	trans	-62.5	-41.1	175.1	-68.9	173.1	-38.3	0	0	111.4	A351 D352 V358 H359	A351-Q355 VanDerWaalsContact CA-OE1 3.27Å; A351-Q355 HydrophobicContact CB-CB 4.28Å; D352-Q355 PolarHBondContact O-N 2.91Å; D352-Q355 WeakPolarHBondContact OD1-CG 3.38Å; D352-Q355 PolarHBondContact OD1-N 2.91Å; Q355-V358 WeakPolarHBondContact O-CG2 3.41Å; Q355-V358 PolarHBondContact O-N 3.31Å; Q355-H359 PolarHBondContact O-N 3.49Å
356	L	98.4	Very high	97.5	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-66.7	-39.5	177.7	-67.3	177	0	0	0	112.3	I175 I247 M250 F338 A351 D352 K354 V358 H359 I362	I175-L356 HydrophobicContact CD1-CB 3.84Å; I175-L356 HydrophobicContact CG1-CB 4.46Å; I247-L356 HydrophobicContact CD1-CD1 4.09Å; I247-L356 HydrophobicContact CG1-CD1 4.21Å; I247-L356 HydrophobicContact CG2-CD1 3.68Å; M250-L356 HydrophobicContact CE-CD1 3.89Å; F338-L356 HydrophobicContact CD2-CD2 3.99Å; F338-L356 HydrophobicContact CE2-CB 4.1Å; F338-L356 HydrophobicContact CE2-CD2 3.65Å; F338-L356 HydrophobicContact CE2-CG 4.36Å; F338-L356 HydrophobicContact CZ-CD2 4.32Å; A351-L356 HydrophobicContact CB-CD2 3.67Å; A351-L356 HydrophobicContact CB-CG 3.92Å; D352-L356 WeakPolarHBondContact O-CG 3.44Å; D352-L356 PolarHBondContact O-N 3.43Å; K354-L356 VanDerWaalsContact C-N 3.33Å; L356-V358 PolarHBondContact O-N 3.18Å; L356-H359 WeakPolarHBondContact O-CB 3.45Å; L356-H359 PolarHBondContact O-N 3.43Å; L356-I362 VanDerWaalsContact O-CG1 3.27Å; L356-I362 WeakPolarHBondContact O-CG1 3.42Å
357	M	97.7	Very high	97.5	Very high	39 Å²	39	55.1 Å²	55.1	19%	0.192	30%	0.303	C	S	.	.	H	α-helix	trans	-63.5	-23.8	179.5	-166.1	61.5	77.7	0	0	113.8	I175 K176 L353 K354 I362 K363	I175-M357 HydrophobicContact CB-CE 4Å; I175-M357 HydrophobicContact CG2-CB 4.5Å; I175-M357 HydrophobicContact CG2-CE 3.35Å; I175-M357 HydrophobicContact CG2-SD 4.37Å; K176-M357 HydrophobicContact CB-CE 4.5Å; K176-M357 HydrophobicContact CG-CE 3.48Å; K176-M357 VanDerWaalsContact CG-CE 3.48Å; K176-M357 HydrophobicContact CG-SD 4.45Å; L353-M357 WeakPolarHBondContact O-CB 3.47Å; L353-M357 PolarHBondContact O-N 3.01Å; L353-M357 VanDerWaalsContact O-N 3.07Å; K354-M357 PolarHBondContact O-N 3.43Å; M357-I362 HydrophobicContact SD-CG2 4.34Å; M357-K363 PolarHBondContact O-NZ 2.8Å
358	V	97.9	Very high	97.4	Very high	98 Å²	98	56.4 Å²	56.4	59%	0.594	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	6.6	176.7	-57.5	0	0	0	0	113.2	K354 Q355 L356	K354-V358 PolarHBondContact O-N 3.45Å; Q355-V358 WeakPolarHBondContact O-CG2 3.41Å; Q355-V358 PolarHBondContact O-N 3.31Å; L356-V358 PolarHBondContact O-N 3.18Å
359	H	98.6	Very high	97.3	Very high	6 Å²	6	60.6 Å²	60.6	3%	0.028	31%	0.31	C	S	.	.	S	Bend	trans	-65.1	142.4	179.2	-164.7	-88.4	0	0	0	111.3	E334 E337 F338 K341 Q355 L356 F361 I362 K363	E334-H359 PolarHBondContact O-CE1 3.47Å; E337-H359 IonicContact OE2-CE1 2.69Å; E337-H359 IonicContact OE2-NE2 2.68Å; F338-H359 HydrophobicContact CD2-CB 3.95Å; F338-H359 AromaticContact CD2-CG 3.73Å; F338-H359 AromaticContact CD2-ND1 3.73Å; F338-H359 HydrophobicContact CE2-CB 4.4Å; K341-H359 PolarHBondContact NZ-CD2 3.27Å; K341-H359 PolarHBondContact NZ-NE2 3.11Å; Q355-H359 PolarHBondContact O-N 3.49Å; L356-H359 WeakPolarHBondContact O-CB 3.45Å; L356-H359 PolarHBondContact O-N 3.43Å; H359-F361 VanDerWaalsContact C-N 3.32Å; H359-F361 WeakPolarHBondContact ND1-CB 3.05Å; H359-F361 PolarHBondContact ND1-N 3.16Å; H359-F361 PolarHBondContact O-N 3.24Å; H359-I362 HydrophobicContact CB-CG1 4.38Å; H359-I362 PolarHBondContact O-N 3.42Å; H359-K363 PolarHBondContact O-N 3.31Å
360	P	98.5	Very high	97.2	Very high	69 Å²	69	55.8 Å²	55.8	45%	0.448	29%	0.289	S	S	.	.	H	α-helix	trans	-49.5	-47.5	178.2	-31.3	36.3	0	0	0	114.1	E334 I362 K363 Q364	E334-P360 HydrophobicContact CG-CB 4.23Å; P360-I362 VanDerWaalsContact C-N 3.29Å; P360-I362 PolarHBondContact O-N 3.1Å; P360-K363 PolarHBondContact O-N 2.93Å; P360-K363 VanDerWaalsContact O-N 3.12Å; P360-Q364 WeakPolarHBondContact O-CB 3.32Å; P360-Q364 PolarHBondContact O-N 2.88Å
361	F	98.7	Very high	97.1	Very high	5 Å²	5	59.1 Å²	59.1	2%	0.022	31%	0.308	C	S	.	.	H	α-helix	trans	-51.4	-45.1	174.2	178.7	-112.8	0	0	0	113.4	E164 E334 F335 F338 H359 S365	E164-F361 HydrophobicContact CG-CE2 3.96Å; E164-F361 HydrophobicContact CG-CZ 4.49Å; E334-F361 HydrophobicContact CB-CB 4.1Å; F335-F361 HydrophobicContact CB-CD2 3.69Å; F335-F361 HydrophobicContact CB-CE2 3.58Å; F335-F361 HydrophobicContact CB-CG 4.44Å; F335-F361 HydrophobicContact CB-CZ 4.25Å; F335-F361 HydrophobicContact CD2-CD1 4.15Å; F335-F361 HydrophobicContact CD2-CD2 4.11Å; F335-F361 AromaticContact CD2-CE1 3.62Å; F335-F361 HydrophobicContact CD2-CE1 3.62Å; F335-F361 AromaticContact CD2-CE2 3.59Å; F335-F361 HydrophobicContact CD2-CE2 3.59Å; F335-F361 HydrophobicContact CD2-CG 4.37Å; F335-F361 AromaticContact CD2-CZ 3.31Å; F335-F361 HydrophobicContact CD2-CZ 3.31Å; F335-F361 AromaticContact CE2-CE1 3.99Å; F335-F361 HydrophobicContact CE2-CE1 3.99Å; F335-F361 HydrophobicContact CE2-CE2 4.43Å; F335-F361 AromaticContact CE2-CZ 3.76Å; F335-F361 HydrophobicContact CE2-CZ 3.76Å; F335-F361 HydrophobicContact CG-CD2 4.22Å; F335-F361 AromaticContact CG-CE2 3.69Å; F335-F361 HydrophobicContact CG-CE2 3.69Å; F335-F361 AromaticContact CG-CZ 3.87Å; F335-F361 HydrophobicContact CG-CZ 3.87Å; F338-F361 HydrophobicContact CB-CB 3.88Å; F338-F361 HydrophobicContact CB-CD1 3.92Å; F338-F361 HydrophobicContact CB-CG 4.08Å; F338-F361 AromaticContact CD1-CD1 3.66Å; F338-F361 HydrophobicContact CD1-CD1 3.66Å; F338-F361 AromaticContact CD1-CE1 3.98Å; F338-F361 HydrophobicContact CD1-CE1 3.98Å; F338-F361 HydrophobicContact CD2-CB 4.38Å; F338-F361 AromaticContact CD2-CD1 3.99Å; F338-F361 HydrophobicContact CD2-CD1 3.99Å; F338-F361 HydrophobicContact CE1-CD1 4.14Å; F338-F361 HydrophobicContact CE1-CE1 4.26Å; F338-F361 HydrophobicContact CE2-CD1 4.43Å; F338-F361 HydrophobicContact CG-CB 4.23Å; F338-F361 AromaticContact CG-CD1 3.58Å; F338-F361 HydrophobicContact CG-CD1 3.58Å; F338-F361 HydrophobicContact CG-CE1 4.36Å; F338-F361 HydrophobicContact CG-CG 4.21Å; H359-F361 VanDerWaalsContact C-N 3.32Å; H359-F361 WeakPolarHBondContact ND1-CB 3.05Å; H359-F361 PolarHBondContact ND1-N 3.16Å; H359-F361 PolarHBondContact O-N 3.24Å; F361-S365 VanDerWaalsContact O-CB 3.25Å; F361-S365 WeakPolarHBondContact O-CB 3.36Å; F361-S365 PolarHBondContact O-N 3.19Å; F361-S365 PolarHBondContact O-OG 2.63Å
362	I	98.5	Very high	97	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-70.5	-42.4	179	-65.8	-59.3	0	0	0	110.7	I172 I175 F338 L356 M357 H359 P360 Q364 S365 E366	I172-I362 HydrophobicContact CG1-CD1 4.11Å; I172-I362 HydrophobicContact CG1-CG2 3.98Å; I175-I362 HydrophobicContact CD1-CD1 3.8Å; I175-I362 HydrophobicContact CD1-CG1 3.99Å; F338-I362 HydrophobicContact CD2-CG1 4.13Å; F338-I362 HydrophobicContact CE2-CD1 3.8Å; F338-I362 HydrophobicContact CE2-CG1 3.53Å; F338-I362 HydrophobicContact CZ-CD1 3.87Å; F338-I362 HydrophobicContact CZ-CG1 4.14Å; L356-I362 VanDerWaalsContact O-CG1 3.27Å; L356-I362 WeakPolarHBondContact O-CG1 3.42Å; M357-I362 HydrophobicContact SD-CG2 4.34Å; H359-I362 HydrophobicContact CB-CG1 4.38Å; H359-I362 PolarHBondContact O-N 3.42Å; P360-I362 VanDerWaalsContact C-N 3.29Å; P360-I362 PolarHBondContact O-N 3.1Å; I362-Q364 PolarHBondContact O-N 3.18Å; I362-S365 CarbonylContact O-C 3.55Å; I362-S365 PolarHBondContact O-N 3.32Å; I362-E366 HydrophobicContact CG2-CG 4.39Å; I362-E366 WeakPolarHBondContact O-CB 3.28Å; I362-E366 WeakPolarHBondContact O-CG 3.14Å; I362-E366 PolarHBondContact O-N 3.08Å
363	K	97.9	Very high	96.9	Very high	96 Å²	96	56.7 Å²	56.7	42%	0.417	29%	0.294	S	S	.	.	H	α-helix	trans	-63.8	-40.1	178.1	-69.1	-46.3	-168.4	-162.9	0	113.1	M357 H359 P360 E366 A367	M357-K363 PolarHBondContact O-NZ 2.8Å; H359-K363 PolarHBondContact O-N 3.31Å; P360-K363 PolarHBondContact O-N 2.93Å; P360-K363 VanDerWaalsContact O-N 3.12Å; K363-E366 WeakPolarHBondContact CD-OE2 3.39Å; K363-E366 IonicContact NZ-OE2 2.65Å; K363-E366 PolarHBondContact NZ-OE2 2.75Å; K363-E366 PolarHBondContact O-N 3.43Å; K363-A367 PolarHBondContact O-N 3.04Å
364	Q	97.4	Very high	96.8	Very high	87 Å²	87	57 Å²	57	41%	0.407	30%	0.299	S	S	.	.	H	α-helix	trans	-65	-49.3	172.9	-179	176.7	-11.4	0	0	110.7	P360 I362 E366 A367 E368	P360-Q364 WeakPolarHBondContact O-CB 3.32Å; P360-Q364 PolarHBondContact O-N 2.88Å; I362-Q364 PolarHBondContact O-N 3.18Å; Q364-E366 PolarHBondContact O-N 3.37Å; Q364-A367 PolarHBondContact O-N 2.83Å; Q364-E368 HydrophobicContact CG-CG 4.33Å; Q364-E368 VanDerWaalsContact CG-OE1 3.25Å; Q364-E368 WeakPolarHBondContact CG-OE1 3.41Å; Q364-E368 PolarHBondContact NE2-OE1 3.11Å; Q364-E368 WeakPolarHBondContact O-CG 3.35Å; Q364-E368 PolarHBondContact O-N 3.11Å
365	S	97.6	Very high	96.8	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.014	28%	0.277	C	S	.	.	H	α-helix	trans	-61.2	-29.8	177.7	-61	0	0	0	0	113.2	G168 K169 F361 I362	G168-S365 WeakPolarHBondContact CA-OG 3.4Å; K169-S365 WeakPolarHBondContact CE-O 3.36Å; K169-S365 PolarHBondContact NZ-O 2.9Å; F361-S365 VanDerWaalsContact O-CB 3.25Å; F361-S365 WeakPolarHBondContact O-CB 3.36Å; F361-S365 PolarHBondContact O-N 3.19Å; F361-S365 PolarHBondContact O-OG 2.63Å; I362-S365 CarbonylContact O-C 3.55Å; I362-S365 PolarHBondContact O-N 3.32Å
366	E	94.2	Very high	96.8	Very high	73 Å²	73	46.9 Å²	46.9	34%	0.341	25%	0.253	S	S	.	.	H	α-helix	trans	-68.8	-38.2	174.3	-80	-172.5	138.3	0	0	111.4	I172 K176 I362 K363 Q364	I172-E366 HydrophobicContact CD1-CB 4.38Å; I172-E366 HydrophobicContact CD1-CG 3.61Å; I172-E366 HydrophobicContact CG1-CG 4.12Å; K176-E366 IonicContact NZ-OE1 3.85Å; I362-E366 HydrophobicContact CG2-CG 4.39Å; I362-E366 WeakPolarHBondContact O-CB 3.28Å; I362-E366 WeakPolarHBondContact O-CG 3.14Å; I362-E366 PolarHBondContact O-N 3.08Å; K363-E366 WeakPolarHBondContact CD-OE2 3.39Å; K363-E366 IonicContact NZ-OE2 2.65Å; K363-E366 PolarHBondContact NZ-OE2 2.75Å; K363-E366 PolarHBondContact O-N 3.43Å; Q364-E366 PolarHBondContact O-N 3.37Å
367	A	95.1	Very high	96.6	Very high	84 Å²	84	47 Å²	47	69%	0.694	25%	0.254	S	S	*	.	H	α-helix	trans	-80.9	-25.8	-179	0	0	0	0	0	113.7	K363 Q364	K363-A367 PolarHBondContact O-N 3.04Å; Q364-A367 PolarHBondContact O-N 2.83Å
368	E	94.6	Very high	96.5	Very high	63 Å²	63	50.1 Å²	50.1	29%	0.294	28%	0.279	S	S	.	.	S	Bend	trans	-68.6	131.5	178.9	-77.2	173.2	-179.5	0	0	111.9	K169 Q364 V370	K169-E368 WeakPolarHBondContact CE-O 3.5Å; K169-E368 PolarHBondContact NZ-O 3.14Å; Q364-E368 HydrophobicContact CG-CG 4.33Å; Q364-E368 VanDerWaalsContact CG-OE1 3.25Å; Q364-E368 WeakPolarHBondContact CG-OE1 3.41Å; Q364-E368 PolarHBondContact NE2-OE1 3.11Å; Q364-E368 WeakPolarHBondContact O-CG 3.35Å; Q364-E368 PolarHBondContact O-N 3.11Å; E368-V370 HydrophobicContact CB-CG2 4.09Å; E368-V370 PolarHBondContact O-N 3.24Å
369	E	94.1	Very high	96.3	Very high	178 Å²	178	47.1 Å²	47.1	83%	0.832	26%	0.261	S	S	*	.			trans	-87.2	104.2	171.9	-66.4	-167.7	151.4	0	0	109.5
370	V	94.9	Very high	95.9	Very high	30 Å²	30	47.9 Å²	47.9	18%	0.182	27%	0.265	C	S	.	.			trans	-118.5	121.7	-178	-176.4	0	0	0	0	109.1	E165 I166 K169 E368 F372	E165-V370 HydrophobicContact CB-CG1 4.47Å; E165-V370 HydrophobicContact CB-CG2 4.02Å; E165-V370 HydrophobicContact CG-CG1 4.25Å; I166-V370 HydrophobicContact CD1-CG1 3.54Å; I166-V370 HydrophobicContact CG1-CG1 4.47Å; K169-V370 HydrophobicContact CG-CB 4.22Å; E368-V370 HydrophobicContact CB-CG2 4.09Å; E368-V370 PolarHBondContact O-N 3.24Å; V370-F372 PolarHBondContact O-N 3.44Å
371	D	95.9	Very high	95.5	Very high	74 Å²	74	47.8 Å²	47.8	40%	0.396	28%	0.276	S	S	.	.			trans	-77	73.9	173.9	-175.8	18	0	0	0	111.2	A373 G374 W375 T389	D371-A373 VanDerWaalsContact C-N 3.26Å; D371-A373 PolarHBondContact O-N 2.83Å; D371-G374 PolarHBondContact O-N 3.03Å; D371-G374 PolarHBondContact OD1-N 2.96Å; D371-G374 WeakPolarHBondContact OD2-CA 3.46Å; D371-W375 PolarHBondContact O-N 2.85Å; D371-T389 PolarHBondContact OD1-OG1 2.68Å
372	F	96.8	Very high	94.9	Very high	13 Å²	13	50.5 Å²	50.5	6%	0.057	29%	0.291	C	S	.	.	H	α-helix	trans	-59	-38.7	178.9	-175.4	-83.1	0	0	0	112	I166 K169 V170 V199 I205 V370 W375 L376	I166-F372 HydrophobicContact CD1-CD2 4.05Å; I166-F372 HydrophobicContact CG2-CD2 3.77Å; I166-F372 HydrophobicContact CG2-CE2 3.54Å; K169-F372 HydrophobicContact CB-CD2 4.29Å; V170-F372 HydrophobicContact CG2-CE2 4Å; V199-F372 HydrophobicContact CB-CE1 4.24Å; V199-F372 HydrophobicContact CB-CZ 4.4Å; V199-F372 HydrophobicContact CG1-CE1 4.06Å; V199-F372 HydrophobicContact CG1-CZ 3.79Å; I205-F372 HydrophobicContact CD1-CD2 3.98Å; I205-F372 HydrophobicContact CD1-CE1 4.15Å; I205-F372 HydrophobicContact CD1-CE2 3.52Å; I205-F372 HydrophobicContact CD1-CG 4.47Å; I205-F372 HydrophobicContact CD1-CZ 3.63Å; I205-F372 HydrophobicContact CG1-CD1 4.44Å; I205-F372 HydrophobicContact CG1-CE1 3.82Å; I205-F372 HydrophobicContact CG1-CE2 4.08Å; I205-F372 HydrophobicContact CG1-CZ 3.62Å; V370-F372 PolarHBondContact O-N 3.44Å; F372-W375 HydrophobicContact CD2-CE3 4.47Å; F372-W375 HydrophobicContact CE2-CE3 4.31Å; F372-W375 HydrophobicContact CE2-CZ3 4.13Å; F372-W375 HydrophobicContact CZ-CE3 4.5Å; F372-W375 HydrophobicContact CZ-CZ3 4.16Å; F372-L376 HydrophobicContact CE1-CB 4.43Å; F372-L376 HydrophobicContact CE1-CD2 4.26Å; F372-L376 VanDerWaalsContact O-CB 3.28Å; F372-L376 WeakPolarHBondContact O-CB 3.33Å; F372-L376 PolarHBondContact O-N 2.91Å
373	A	95.6	Very high	94	Very high	2 Å²	2	55.7 Å²	55.7	2%	0.017	33%	0.327	C	S	.	.	H	α-helix	trans	-67.1	-44.6	-178.7	0	0	0	0	0	111.4	D371 L376 C377 P385 T389	D371-A373 VanDerWaalsContact C-N 3.26Å; D371-A373 PolarHBondContact O-N 2.83Å; A373-L376 PolarHBondContact O-N 2.77Å; A373-C377 WeakPolarHBondContact O-CB 3.32Å; A373-C377 PolarHBondContact O-N 2.88Å; A373-C377 PolarHBondContact O-SG 3.2Å; A373-P385 HydrophobicContact CB-CB 4.21Å; A373-P385 HydrophobicContact CB-CG 4.43Å; A373-T389 HydrophobicContact CB-CG2 4.43Å
374	G	95.9	Very high	92.2	Very high	19 Å²	19	59.8 Å²	59.8	20%	0.196	35%	0.348	C	S	.	.	H	α-helix	trans	-62.4	-47.7	174.4	0	0	0	0	0	112.6	D371 L376 C377 S378	D371-G374 PolarHBondContact O-N 3.03Å; D371-G374 PolarHBondContact OD1-N 2.96Å; D371-G374 WeakPolarHBondContact OD2-CA 3.46Å; G374-L376 VanDerWaalsContact C-N 3.33Å; G374-L376 PolarHBondContact O-N 2.7Å; G374-C377 PolarHBondContact O-N 3.35Å; G374-S378 WeakPolarHBondContact O-CB 3.18Å; G374-S378 PolarHBondContact O-N 3.09Å
375	W	96.9	Very high	90.3	Very high	46 Å²	46	57.1 Å²	57.1	17%	0.174	34%	0.338	C	S	.	.	H	α-helix	trans	-55.8	-48.3	175.2	168.9	81.1	0	0	0	111.7	I162 I166 D371 F372 S378 T379	I162-W375 HydrophobicContact CB-CZ2 4.43Å; I162-W375 HydrophobicContact CD1-CH2 4.16Å; I162-W375 HydrophobicContact CG1-CH2 4.16Å; I162-W375 HydrophobicContact CG1-CZ2 4.13Å; I162-W375 HydrophobicContact CG2-CH2 3.94Å; I162-W375 HydrophobicContact CG2-CZ2 3.89Å; I166-W375 HydrophobicContact CD1-CB 3.76Å; I166-W375 HydrophobicContact CD1-CD2 3.75Å; I166-W375 HydrophobicContact CD1-CE3 3.95Å; I166-W375 HydrophobicContact CD1-CG 3.64Å; I166-W375 HydrophobicContact CG1-CD2 3.81Å; I166-W375 HydrophobicContact CG1-CE3 4.21Å; I166-W375 HydrophobicContact CG1-CG 3.92Å; I166-W375 HydrophobicContact CG2-CD2 4.07Å; I166-W375 HydrophobicContact CG2-CE3 3.7Å; I166-W375 HydrophobicContact CG2-CH2 3.84Å; I166-W375 HydrophobicContact CG2-CZ2 4.18Å; I166-W375 HydrophobicContact CG2-CZ3 3.58Å; D371-W375 PolarHBondContact O-N 2.85Å; F372-W375 HydrophobicContact CD2-CE3 4.47Å; F372-W375 HydrophobicContact CE2-CE3 4.31Å; F372-W375 HydrophobicContact CE2-CZ3 4.13Å; F372-W375 HydrophobicContact CZ-CE3 4.5Å; F372-W375 HydrophobicContact CZ-CZ3 4.16Å; W375-S378 PolarHBondContact O-N 3.2Å; W375-T379 WeakPolarHBondContact O-CB 3.41Å; W375-T379 PolarHBondContact O-N 2.7Å; W375-T379 PolarHBondContact O-OG1 3.35Å
376	L	96.6	Very high	88.1	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-60.7	-56	180	177.9	65.1	0	0	0	110.2	V199 N200 F372 A373 G374 S378 T379 I380	V199-L376 HydrophobicContact CB-CD1 4.48Å; V199-L376 HydrophobicContact CB-CD2 3.86Å; V199-L376 HydrophobicContact CG2-CD1 3.63Å; V199-L376 HydrophobicContact CG2-CD2 3.75Å; V199-L376 HydrophobicContact CG2-CG 4.36Å; N200-L376 VanDerWaalsContact O-CD2 3.23Å; N200-L376 WeakPolarHBondContact O-CD2 3.42Å; F372-L376 HydrophobicContact CE1-CB 4.43Å; F372-L376 HydrophobicContact CE1-CD2 4.26Å; F372-L376 VanDerWaalsContact O-CB 3.28Å; F372-L376 WeakPolarHBondContact O-CB 3.33Å; F372-L376 PolarHBondContact O-N 2.91Å; A373-L376 PolarHBondContact O-N 2.77Å; G374-L376 VanDerWaalsContact C-N 3.33Å; G374-L376 PolarHBondContact O-N 2.7Å; L376-S378 VanDerWaalsContact C-N 3.27Å; L376-S378 PolarHBondContact O-N 3.4Å; L376-T379 WeakPolarHBondContact O-CB 3.29Å; L376-T379 PolarHBondContact O-N 2.87Å; L376-I380 HydrophobicContact CD1-CD1 4.09Å; L376-I380 HydrophobicContact CD1-CG1 4.35Å; L376-I380 HydrophobicContact CD1-CG2 4.06Å; L376-I380 HydrophobicContact CG-CD1 4.15Å; L376-I380 HydrophobicContact CG-CG1 4.42Å; L376-I380 VanDerWaalsContact O-CG1 3.29Å; L376-I380 WeakPolarHBondContact O-CG1 3.32Å; L376-I380 PolarHBondContact O-N 3.04Å
377	C	95	Very high	85.8	Confident	4 Å²	4	60.6 Å²	60.6	3%	0.027	37%	0.374	C	S	.	.	H	α-helix	trans	-56.4	-42.3	-177	-66.6	0	0	0	0	111.8	A373 G374 G381 L382	A373-C377 WeakPolarHBondContact O-CB 3.32Å; A373-C377 PolarHBondContact O-N 2.88Å; A373-C377 PolarHBondContact O-SG 3.2Å; G374-C377 PolarHBondContact O-N 3.35Å; C377-G381 WeakPolarHBondContact O-CA 3.29Å; C377-G381 PolarHBondContact O-N 2.81Å; C377-L382 HydrophobicContact CB-CB 4.26Å; C377-L382 PolarHBondContact O-N 3.44Å
378	S	94.8	Very high	83.1	Confident	104 Å²	104	61.4 Å²	61.4	73%	0.727	37%	0.371	S	S	*	.	H	α-helix	trans	-62.5	-42.9	174.8	-174.1	0	0	0	0	112.4	G374 W375 L376	G374-S378 WeakPolarHBondContact O-CB 3.18Å; G374-S378 PolarHBondContact O-N 3.09Å; W375-S378 PolarHBondContact O-N 3.2Å; L376-S378 VanDerWaalsContact C-N 3.27Å; L376-S378 PolarHBondContact O-N 3.4Å
379	T	94.6	Very high	80.9	Confident	34 Å²	34	61.5 Å²	61.5	21%	0.209	38%	0.377	C	S	.	.	H	α-helix	trans	-67.2	-42	-177.7	-62.5	0	0	0	0	112	K158 A159 W375 L376	K158-T379 HydrophobicContact CB-CG2 4.2Å; A159-T379 HydrophobicContact CB-CG2 3.75Å; W375-T379 WeakPolarHBondContact O-CB 3.41Å; W375-T379 PolarHBondContact O-N 2.7Å; W375-T379 PolarHBondContact O-OG1 3.35Å; L376-T379 WeakPolarHBondContact O-CB 3.29Å; L376-T379 PolarHBondContact O-N 2.87Å
380	I	91.3	Very high	78.8	Confident	23 Å²	23	58.4 Å²	58.4	12%	0.118	36%	0.362	C	S	.	.	H	α-helix	trans	-98.6	-6.7	-173.1	67.6	167.5	0	0	0	114.3	G149 K158 L376 L382	G149-I380 VanDerWaalsContact CA-CD1 3.46Å; K158-I380 HydrophobicContact CD-CB 4.09Å; K158-I380 HydrophobicContact CD-CG2 3.98Å; K158-I380 PolarHBondContact NZ-O 3.22Å; L376-I380 HydrophobicContact CD1-CD1 4.09Å; L376-I380 HydrophobicContact CD1-CG1 4.35Å; L376-I380 HydrophobicContact CD1-CG2 4.06Å; L376-I380 HydrophobicContact CG-CD1 4.15Å; L376-I380 HydrophobicContact CG-CG1 4.42Å; L376-I380 VanDerWaalsContact O-CG1 3.29Å; L376-I380 WeakPolarHBondContact O-CG1 3.32Å; L376-I380 PolarHBondContact O-N 3.04Å; I380-L382 HydrophobicContact CD1-CD1 3.43Å; I380-L382 VanDerWaalsContact CD1-CD1 3.43Å; I380-L382 HydrophobicContact CD1-CG 3.67Å; I380-L382 HydrophobicContact CG1-CB 4.47Å; I380-L382 HydrophobicContact CG1-CD1 4.09Å; I380-L382 HydrophobicContact CG1-CG 3.84Å
381	G	88.9	Confident	76	Confident	66 Å²	66	60.5 Å²	60.5	68%	0.68	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.4	29.9	177.6	0	0	0	0	0	114	C377	C377-G381 WeakPolarHBondContact O-CA 3.29Å; C377-G381 PolarHBondContact O-N 2.81Å
382	L	86	Confident	72.8	Confident	62 Å²	62	63.7 Å²	63.7	33%	0.325	41%	0.412	S	S	.	.			trans	-84.3	144.6	171	-67.4	-179.5	0	0	0	109.9	C377 I380	C377-L382 HydrophobicContact CB-CB 4.26Å; C377-L382 PolarHBondContact O-N 3.44Å; I380-L382 HydrophobicContact CD1-CD1 3.43Å; I380-L382 VanDerWaalsContact CD1-CD1 3.43Å; I380-L382 HydrophobicContact CD1-CG 3.67Å; I380-L382 HydrophobicContact CG1-CB 4.47Å; I380-L382 HydrophobicContact CG1-CD1 4.09Å; I380-L382 HydrophobicContact CG1-CG 3.84Å
383	S	78.9	Confident	69.7	Low	110 Å²	110	68.9 Å²	68.9	77%	0.769	45%	0.449	S	S	*	.			trans	-57.4	146.1	168.3	35	0	0	0	0	110.5
384	Q	62.1	Low	66.6	Low	182 Å²	182	81 Å²	81	85%	0.85	51%	0.509	S	S	*	.	S	Bend	trans	-42.1	146.3	-173.4	-80.7	-169.8	-6.7	0	0	113.5	A386	Q384-A386 PolarHBondContact O-N 2.9Å
385	P	56.3	Low	65.2	Low	30 Å²	30	84.1 Å²	84.1	20%	0.195	52%	0.524	C	S	.	.			trans	-53.5	136	-167	21.4	-34.1	0	0	0	112.1	S201 A373 T387	S201-P385 WeakPolarHBondContact O-CB 3.24Å; A373-P385 HydrophobicContact CB-CB 4.21Å; A373-P385 HydrophobicContact CB-CG 4.43Å; P385-T387 PolarHBondContact O-N 3.22Å
386	A	52.3	Low	63.5	Low	89 Å²	89	86.1 Å²	86.1	74%	0.736	54%	0.543	S	S	*	.	S	Bend	trans	-62.6	-1.8	179.3	0	0	0	0	0	113.6	Q384	Q384-A386 PolarHBondContact O-N 2.9Å
387	T	44.8	Very low	61.6	Low	60 Å²	60	90.8 Å²	90.8	37%	0.368	57%	0.573	S	S	.	*	S	Bend	trans	-144.3	122.3	173	-41	0	0	0	0	107.4	P385 T389	P385-T387 PolarHBondContact O-N 3.22Å; T387-T389 PolarHBondContact O-N 3.48Å
388	P	39.8	Very low	59.7	Low	100 Å²	100	95.9 Å²	95.9	65%	0.649	61%	0.605	S	S	*	*			trans	-56.3	124.6	168	-19.1	30.8	0	0	0	108.1	H390	P388-H390 VanDerWaalsContact CB-O 3.23Å; P388-H390 WeakPolarHBondContact CB-O 3.49Å; P388-H390 PolarHBondContact O-N 3.2Å; P388-H390 VanDerWaalsContact O-N 3.16Å
389	T	47.8	Very low	57.5	Low	66 Å²	66	95.4 Å²	95.4	41%	0.405	60%	0.597	S	S	.	*	S	Bend	trans	-63.3	-9.6	168.2	15.3	0	0	0	0	111.8	D371 A373 T387	D371-T389 PolarHBondContact OD1-OG1 2.68Å; A373-T389 HydrophobicContact CB-CG2 4.43Å; T387-T389 PolarHBondContact O-N 3.48Å
390	H	48.8	Very low	55	Low	113 Å²	113	99.5 Å²	99.5	52%	0.523	62%	0.623	S	S	.	*	S	Bend	trans	-131.8	130	175.6	-61.1	-74.4	0	0	0	111.7	P388 T392	P388-H390 VanDerWaalsContact CB-O 3.23Å; P388-H390 WeakPolarHBondContact CB-O 3.49Å; P388-H390 PolarHBondContact O-N 3.2Å; P388-H390 VanDerWaalsContact O-N 3.16Å; H390-T392 PolarHBondContact O-N 3.06Å
391	G	36.8	Very low	52.4	Low	73 Å²	73	105 Å²	105	75%	0.753	66%	0.659	S	S	*	*			trans	-59.5	123	153.9	0	0	0	0	0	107.8	S393	G391-S393 PolarHBondContact O-N 2.85Å
392	T	28.4	Very low	49.6	Very low	142 Å²	142	108 Å²	108	87%	0.871	66%	0.658	S	S	*	*			trans	-52.8	101	165.3	12.3	0	0	0	0	108.7	H390 M394	H390-T392 PolarHBondContact O-N 3.06Å; T392-M394 PolarHBondContact O-N 3.28Å
393	S	31.6	Very low	46.6	Very low	121 Å²	121	111.8 Å²	111.8	85%	0.846	69%	0.686	S	S	*	*			trans	-74.7	113.3	154	-81.8	0	0	0	0	106.6	G391	G391-S393 PolarHBondContact O-N 2.85Å
394	M	31.4	Very low	43.6	Very low	256 Å²	256	112 Å²	112	100%	1.261	68%	0.678	S	S	*	*			trans	-68.4	0	159.1	-72.1	-171.7	-165.5	0	0	110.4	T392	T392-M394 PolarHBondContact O-N 3.28Å

Retrieved 394 of 394 residues in 399.4 ms (Link to these results)

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