A0A087YFA3_POEFO Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A087YFA3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 376 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.5	Very low	31.5	Very low	232 Å²	232	162.7 Å²	162.7	100%	1.143	87%	0.868	S	S	*	*				0	105.9	0	-60.1	-168.4	-163.6	0	0	105.7
2	L	28.5	Very low	31.7	Very low	168 Å²	168	159.3 Å²	159.3	88%	0.88	86%	0.861	S	S	*	*				48.5	124.8	92.7	-65.3	170.9	0	0	0	110.3
3	S	28.7	Very low	31.8	Very low	94 Å²	94	159.2 Å²	159.2	66%	0.657	86%	0.86	S	S	*	*			cis	-179.1	167	18.4	47	0	0	0	0	109.1
4	N	30.4	Very low	32	Very low	160 Å²	160	156.1 Å²	156.1	86%	0.856	85%	0.852	S	S	*	*			trans	97.9	109.1	153.3	-66.8	-8.4	0	0	0	120.9
5	A	30.6	Very low	31.9	Very low	88 Å²	88	152 Å²	152	73%	0.727	85%	0.847	S	S	*	*				-163.9	110.5	120	0	0	0	0	0	107.9
6	Q	33	Very low	32.4	Very low	200 Å²	200	147.5 Å²	147.5	94%	0.935	85%	0.846	S	S	*	*				95.7	137.5	98.1	-82.8	-176	-14.6	0	0	115.5
7	N	30.8	Very low	32.3	Very low	165 Å²	165	149.8 Å²	149.8	88%	0.882	85%	0.847	S	S	*	*			trans	-69.5	141	-163.3	-82.5	-25	0	0	0	117
8	Q	32.5	Very low	32.1	Very low	183 Å²	183	151.9 Å²	151.9	86%	0.855	85%	0.849	S	S	*	*			trans	-139.1	136	137.9	-81.3	-173.1	-6.1	0	0	109.1
9	P	31.1	Very low	32	Very low	128 Å²	128	151.6 Å²	151.6	83%	0.831	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-81.2	126.9	177.3	29.8	-29.6	0	0	0	111.8
10	L	32.9	Very low	32	Very low	171 Å²	171	150.3 Å²	150.3	90%	0.895	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-75.6	133.1	171.7	-83.4	143.5	0	0	0	110.8
11	F	33	Very low	32.1	Very low	201 Å²	201	148.4 Å²	148.4	88%	0.882	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-63.1	134.5	168.5	-72.5	-87.3	0	0	0	111
12	P	34.2	Very low	31.9	Very low	121 Å²	121	140.2 Å²	140.2	79%	0.786	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-78.7	128.1	168.7	4.3	10.5	0	0	0	110.8
13	N	33.3	Very low	31.9	Very low	159 Å²	159	139.2 Å²	139.2	85%	0.85	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-69.3	122.5	171.6	-145.1	10	0	0	0	109.4	A15	N13-A15 PolarHBondContact O-N 3.37Å
14	P	34.4	Very low	32.1	Very low	116 Å²	116	144.6 Å²	144.6	75%	0.753	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-80.9	117.6	176.7	-2.8	19.6	0	0	0	111
15	A	31.3	Very low	32.4	Very low	94 Å²	94	144.3 Å²	144.3	78%	0.777	81%	0.807	S	S	*	*			trans	23	128.3	139.6	0	0	0	0	0	119.4	N13	N13-A15 PolarHBondContact O-N 3.37Å
16	G	38.9	Very low	32.9	Very low	80 Å²	80	145 Å²	145	83%	0.825	81%	0.813	S	S	*	*			trans	-56.6	133.7	177.8	0	0	0	0	0	114.7
17	Q	30.8	Very low	33.9	Very low	187 Å²	187	144.1 Å²	144.1	87%	0.874	80%	0.801	S	S	*	*			trans	-99.4	113.9	155.3	-81.8	174.3	-9.5	0	0	107.9	N19	Q17-N19 PolarHBondContact O-N 3.29Å
18	Q	29.7	Very low	35.2	Very low	188 Å²	188	140.8 Å²	140.8	88%	0.879	79%	0.788	S	S	*	*			trans	-56	121.5	168.7	-67.9	170.5	-7.2	0	0	108.5	P20	Q18-P20 WeakPolarHBondContact O-CD 3.34Å
19	N	29.8	Very low	37.3	Very low	146 Å²	146	139.2 Å²	139.2	78%	0.781	78%	0.78	S	S	*	*			trans	-56.5	121.5	164.9	-81.9	-28.9	0	0	0	108.6	Q17 T21	Q17-N19 PolarHBondContact O-N 3.29Å; N19-T21 VanDerWaalsContact C-N 3.31Å; N19-T21 PolarHBondContact O-N 3Å
20	P	32.4	Very low	40.1	Very low	124 Å²	124	133.9 Å²	133.9	81%	0.805	75%	0.745	S	S	*	*			trans	-73.7	98	161	27.1	-21.8	0	0	0	106.2	Q18 G22	Q18-P20 WeakPolarHBondContact O-CD 3.34Å; P20-G22 PolarHBondContact O-N 2.8Å
21	T	33.6	Very low	43	Very low	111 Å²	111	133.5 Å²	133.5	68%	0.681	74%	0.738	S	S	*	*			trans	-58.3	91.5	161.1	46.7	0	0	0	0	107.4	N19 H23	N19-T21 VanDerWaalsContact C-N 3.31Å; N19-T21 PolarHBondContact O-N 3Å; T21-H23 PolarHBondContact O-N 3.23Å; T21-H23 PolarHBondContact O-ND1 2.92Å
22	G	29.6	Very low	46	Very low	61 Å²	61	126 Å²	126	63%	0.629	71%	0.707	S	S	*	*			trans	-53.1	107.6	172.6	0	0	0	0	0	108.1	P20 F24	P20-G22 PolarHBondContact O-N 2.8Å; G22-F24 PolarHBondContact O-N 2.93Å
23	H	29.2	Very low	49	Very low	147 Å²	147	123 Å²	123	68%	0.681	68%	0.681	S	S	*	*			trans	-59.5	103.3	167.9	-76.9	23.1	0	0	0	106.7	T21 H25	T21-H23 PolarHBondContact O-N 3.23Å; T21-H23 PolarHBondContact O-ND1 2.92Å; H23-H25 PolarHBondContact O-N 2.91Å
24	F	33	Very low	52	Low	207 Å²	207	121.3 Å²	121.3	91%	0.908	67%	0.667	S	S	*	*			trans	-63.2	87	158.8	-84.4	-90	0	0	0	106.2	G22 A26	G22-F24 PolarHBondContact O-N 2.93Å; F24-A26 VanDerWaalsContact C-N 3.33Å; F24-A26 PolarHBondContact O-N 2.8Å
25	H	35.3	Very low	54.9	Low	154 Å²	154	118.9 Å²	118.9	71%	0.713	65%	0.648	S	S	*	*			trans	-57.8	105.7	162.9	-75.9	-66.5	0	0	0	106.1	H23 R27	H23-H25 PolarHBondContact O-N 2.91Å; H25-R27 PolarHBondContact O-N 2.87Å
26	A	41.2	Very low	58	Low	102 Å²	102	116.2 Å²	116.2	84%	0.843	63%	0.626	S	S	*	*			trans	-52.4	105.4	166.1	0	0	0	0	0	106.7	F24	F24-A26 VanDerWaalsContact C-N 3.33Å; F24-A26 PolarHBondContact O-N 2.8Å
27	R	55.7	Low	60.8	Low	182 Å²	182	112.7 Å²	112.7	69%	0.687	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-68.7	146.5	179.9	-74.6	-171.5	-178.1	-162	4	108.6	H25 H29 P91	H25-R27 PolarHBondContact O-N 2.87Å; R27-H29 PolarHBondContact O-N 3.23Å; R27-P91 VanDerWaalsContact NH1-CB 3.28Å; R27-P91 VanDerWaalsContact NH1-CG 3.29Å
28	P	57.3	Low	64	Low	95 Å²	95	107 Å²	107	62%	0.617	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-58.7	128.8	-175.1	22.5	-31.5	0	0	0	109.7
29	H	77.3	Confident	67.2	Low	150 Å²	150	103 Å²	103	69%	0.694	55%	0.55	S	S	*	*	P	Polyproline II helix	trans	-48.4	142.2	167	-171.8	-71.9	0	0	0	109.2	R27 Q31	R27-H29 PolarHBondContact O-N 3.23Å; H29-Q31 PolarHBondContact O-N 3.42Å
30	L	89.1	Confident	70.4	Confident	16 Å²	16	98.2 Å²	98.2	8%	0.084	52%	0.523	C	S	.	.	P	Polyproline II helix	trans	-51	117.4	174	172.6	64.1	0	0	0	109.2	I32 V83 W87 V101	L30-I32 HydrophobicContact CD2-CG1 4.29Å; L30-I32 HydrophobicContact CG-CG1 4.2Å; L30-V83 HydrophobicContact CD2-CG1 3.68Å; L30-W87 HydrophobicContact CB-CD2 4.19Å; L30-W87 HydrophobicContact CB-CG 3.96Å; L30-W87 HydrophobicContact CD1-CB 4.48Å; L30-W87 HydrophobicContact CD1-CD2 3.64Å; L30-W87 HydrophobicContact CD1-CE3 3.65Å; L30-W87 HydrophobicContact CD1-CG 4.01Å; L30-W87 HydrophobicContact CD1-CZ3 4.11Å; L30-W87 HydrophobicContact CG-CD2 4.45Å; L30-W87 HydrophobicContact CG-CG 4.4Å; L30-V101 HydrophobicContact CD1-CB 4.13Å; L30-V101 HydrophobicContact CD1-CG2 3.7Å
31	Q	93.5	Very high	73.5	Confident	162 Å²	162	92.3 Å²	92.3	76%	0.757	49%	0.485	S	S	*	.			trans	-103.9	108.9	174.9	-70.3	-170.2	-3.5	0	0	109	H29 K33	H29-Q31 PolarHBondContact O-N 3.42Å; Q31-K33 PolarHBondContact O-N 2.73Å
32	I	95.9	Very high	76.6	Confident	45 Å²	45	93.1 Å²	93.1	23%	0.231	48%	0.479	C	S	.	.			trans	-81	113.5	177.2	-58.9	177	0	0	0	108.8	L30 V101 E103	L30-I32 HydrophobicContact CD2-CG1 4.29Å; L30-I32 HydrophobicContact CG-CG1 4.2Å; I32-V101 WeakPolarHBondContact CA-O 3.16Å; I32-V101 HydrophobicContact CG1-CG1 4.18Å; I32-V101 HydrophobicContact CG2-CG1 4.32Å; I32-E103 HydrophobicContact CG2-CB 3.69Å
33	K	97.5	Very high	79.7	Confident	56 Å²	56	93.6 Å²	93.6	24%	0.243	47%	0.466	C	S	.	.	B	Isolated β-bridge	trans	-68.7	143.2	178	-68.4	178.9	175.2	178.8	0	110.9	Q31 E40 D100 V101 Y102 E103	Q31-K33 PolarHBondContact O-N 2.73Å; K33-E40 IonicContact NZ-OE1 3.6Å; K33-E40 IonicContact NZ-OE2 2.94Å; K33-E40 PolarHBondContact NZ-OE2 3.24Å; K33-D100 WeakPolarHBondContact CE-OD1 3.46Å; K33-D100 VanDerWaalsContact NZ-CG 3.29Å; K33-D100 IonicContact NZ-OD1 2.73Å; K33-D100 PolarHBondContact NZ-OD1 2.94Å; K33-D100 IonicContact NZ-OD2 3.42Å; K33-D100 PolarHBondContact NZ-OD2 3.21Å; K33-V101 PolarHBondContact N-O 2.95Å; K33-Y102 HydrophobicContact CB-CD1 3.42Å; K33-Y102 VanDerWaalsContact CB-CD1 3.42Å; K33-Y102 HydrophobicContact CB-CE1 3.58Å; K33-Y102 HydrophobicContact CB-CG 4Å; K33-Y102 HydrophobicContact CD-CD1 4.15Å; K33-Y102 HydrophobicContact CD-CE1 3.44Å; K33-Y102 VanDerWaalsContact CD-CE1 3.44Å; K33-Y102 HydrophobicContact CD-CE2 4.08Å; K33-Y102 WeakPolarHBondContact CD-OH 3.34Å; K33-Y102 HydrophobicContact CG-CD1 4.43Å; K33-Y102 HydrophobicContact CG-CE1 4.16Å; K33-Y102 PolarHBondContact NZ-OH 2.66Å; K33-Y102 CarbonylContact O-C 3.49Å; K33-Y102 VanDerWaalsContact O-CA 3.31Å; K33-Y102 WeakPolarHBondContact O-CA 3.28Å; K33-E103 PolarHBondContact O-N 2.99Å
34	K	96.3	Very high	82.9	Confident	125 Å²	125	88.2 Å²	88.2	54%	0.543	44%	0.444	S	S	.	.			trans	-112.2	-16.4	-178.2	-58.3	-62.2	-173.1	171.6	0	113.7	E103	K34-E103 HydrophobicContact CD-CB 4.11Å; K34-E103 IonicContact NZ-OE1 3.91Å; K34-E103 PolarHBondContact NZ-OE1 3.44Å; K34-E103 IonicContact NZ-OE2 2.75Å; K34-E103 PolarHBondContact NZ-OE2 3.46Å
35	N	96.4	Very high	85.6	Confident	65 Å²	65	81.8 Å²	81.8	35%	0.348	44%	0.436	S	S	.	.	S	Bend	trans	-63.7	162.8	171.5	59.8	-64.3	0	0	0	110.4	I37 E40 Y102 N104	N35-I37 PolarHBondContact O-N 3.02Å; N35-E40 PolarHBondContact ND2-OE1 3.37Å; N35-Y102 WeakPolarHBondContact O-CD1 3.35Å; N35-N104 PolarHBondContact O-ND2 3.29Å
36	A	96.4	Very high	88.4	Confident	38 Å²	38	79.5 Å²	79.5	31%	0.314	43%	0.426	S	S	.	.			trans	-67.6	130.3	179.2	0	0	0	0	0	109.1	T38 D39 N104	A36-T38 PolarHBondContact O-N 2.91Å; A36-D39 PolarHBondContact N-OD2 2.98Å; A36-D39 VanDerWaalsContact O-CB 3.24Å; A36-D39 WeakPolarHBondContact O-CB 3.48Å; A36-D39 VanDerWaalsContact O-CG 3.25Å; A36-D39 PolarHBondContact O-N 3.14Å; A36-N104 WeakPolarHBondContact CA-OD1 3.44Å
37	I	97.1	Very high	90.8	Very high	5 Å²	5	77.9 Å²	77.9	3%	0.026	41%	0.405	C	S	.	.	H	α-helix	trans	-54.4	-30.2	175.5	-171.6	167	0	0	0	111.4	N35 D39 E40 Y41 I43 L70 Y102 N104 L113 V115	N35-I37 PolarHBondContact O-N 3.02Å; I37-D39 PolarHBondContact O-N 3.15Å; I37-E40 PolarHBondContact O-N 2.76Å; I37-E40 VanDerWaalsContact O-N 3.14Å; I37-Y41 HydrophobicContact CG1-CD2 4.03Å; I37-Y41 HydrophobicContact CG1-CG 4.49Å; I37-Y41 PolarHBondContact O-N 3.44Å; I37-I43 HydrophobicContact CG2-CD1 3.89Å; I37-L70 HydrophobicContact CD1-CD1 3.83Å; I37-L70 HydrophobicContact CD1-CD2 4.09Å; I37-Y102 HydrophobicContact CB-CD1 4.17Å; I37-Y102 HydrophobicContact CB-CD2 4.18Å; I37-Y102 HydrophobicContact CB-CE1 4.48Å; I37-Y102 HydrophobicContact CB-CE2 4.49Å; I37-Y102 HydrophobicContact CB-CG 4.03Å; I37-Y102 HydrophobicContact CD1-CD2 3.87Å; I37-Y102 HydrophobicContact CD1-CE2 4.21Å; I37-Y102 HydrophobicContact CD1-CG 4.47Å; I37-Y102 HydrophobicContact CG1-CD2 3.87Å; I37-Y102 HydrophobicContact CG1-CE2 3.92Å; I37-Y102 HydrophobicContact CG1-CG 4.26Å; I37-N104 PolarHBondContact N-OD1 3.38Å; I37-L113 HydrophobicContact CB-CD1 3.93Å; I37-L113 HydrophobicContact CD1-CB 3.97Å; I37-L113 HydrophobicContact CD1-CD1 4.06Å; I37-L113 HydrophobicContact CG2-CD1 3.53Å; I37-V115 HydrophobicContact CD1-CG2 3.96Å
38	T	96.7	Very high	92.4	Very high	69 Å²	69	72.4 Å²	72.4	42%	0.423	39%	0.389	S	S	.	.	H	α-helix	trans	-65.9	-16.2	179.9	49.6	0	0	0	0	113.9	A36 E40 Y41 I43 R62	A36-T38 PolarHBondContact O-N 2.91Å; T38-E40 VanDerWaalsContact C-N 3.35Å; T38-Y41 CarbonylContact C-O 3.54Å; T38-Y41 WeakPolarHBondContact CA-O 3.16Å; T38-I43 HydrophobicContact CG2-CD1 4.41Å; T38-R62 PolarHBondContact O-NE 3.27Å; T38-R62 PolarHBondContact O-NH2 2.84Å; T38-R62 VanDerWaalsContact O-NH2 3.11Å
39	D	97.1	Very high	93.6	Very high	103 Å²	103	69.2 Å²	69.2	55%	0.551	37%	0.374	S	S	*	.	H	α-helix	trans	-72.2	-32.4	175.7	-57.7	-21.4	0	0	0	110.9	A36 I37 R62	A36-D39 PolarHBondContact N-OD2 2.98Å; A36-D39 VanDerWaalsContact O-CB 3.24Å; A36-D39 WeakPolarHBondContact O-CB 3.48Å; A36-D39 VanDerWaalsContact O-CG 3.25Å; A36-D39 PolarHBondContact O-N 3.14Å; I37-D39 PolarHBondContact O-N 3.15Å; D39-R62 WeakPolarHBondContact O-CD 3.4Å
40	E	97.9	Very high	93.4	Very high	45 Å²	45	69.1 Å²	69.1	21%	0.21	38%	0.378	C	S	.	.	H	α-helix	trans	-108.7	-27.9	-176.3	-70.8	176.4	-98.9	0	0	113	K33 N35 I37 T38 R62 Y102	K33-E40 IonicContact NZ-OE1 3.6Å; K33-E40 IonicContact NZ-OE2 2.94Å; K33-E40 PolarHBondContact NZ-OE2 3.24Å; N35-E40 PolarHBondContact ND2-OE1 3.37Å; I37-E40 PolarHBondContact O-N 2.76Å; I37-E40 VanDerWaalsContact O-N 3.14Å; T38-E40 VanDerWaalsContact C-N 3.35Å; E40-R62 WeakPolarHBondContact O-CB 3.2Å; E40-R62 WeakPolarHBondContact O-CG 3.2Å; E40-R62 PolarHBondContact O-N 3.42Å; E40-Y102 WeakPolarHBondContact OE1-CE1 3.34Å; E40-Y102 PolarHBondContact OE1-OH 3.4Å; E40-Y102 PolarHBondContact OE2-OH 2.82Å
41	Y	98.3	Very high	92.2	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	146.3	-175.5	-63.8	-91.3	0	0	0	112.2	I37 T38 I59 F60 Q61 Y68 D100 Y102 V115	I37-Y41 HydrophobicContact CG1-CD2 4.03Å; I37-Y41 HydrophobicContact CG1-CG 4.49Å; I37-Y41 PolarHBondContact O-N 3.44Å; T38-Y41 CarbonylContact C-O 3.54Å; T38-Y41 WeakPolarHBondContact CA-O 3.16Å; Y41-I59 HydrophobicContact CD1-CD1 3.47Å; Y41-I59 VanDerWaalsContact CD1-CD1 3.47Å; Y41-I59 HydrophobicContact CD1-CG1 4Å; Y41-I59 HydrophobicContact CE1-CD1 4.08Å; Y41-I59 HydrophobicContact CG-CD1 3.76Å; Y41-F60 CarbonylContact C-O 3.55Å; Y41-F60 VanDerWaalsContact CA-O 3.31Å; Y41-F60 WeakPolarHBondContact CA-O 3.43Å; Y41-Q61 HydrophobicContact CD1-CB 3.86Å; Y41-Q61 HydrophobicContact CD1-CG 4.36Å; Y41-Q61 HydrophobicContact CE1-CB 3.61Å; Y41-Q61 HydrophobicContact CE1-CG 3.95Å; Y41-Q61 PolarHBondContact OH-NE2 2.85Å; Y41-Y68 HydrophobicContact CD1-CD2 4.3Å; Y41-Y68 AromaticContact CE1-CD2 3.7Å; Y41-Y68 HydrophobicContact CE1-CD2 3.7Å; Y41-Y68 AromaticContact CE1-CE2 4Å; Y41-Y68 HydrophobicContact CE1-CE2 4Å; Y41-Y68 HydrophobicContact CE1-CG 4.4Å; Y41-D100 PolarHBondContact OH-OD2 3.47Å; Y41-Y102 HydrophobicContact CD2-CE2 4.29Å; Y41-Y102 HydrophobicContact CE2-CE2 4.03Å; Y41-Y102 WeakPolarHBondContact CE2-OH 3.02Å; Y41-V115 HydrophobicContact CE1-CG1 3.97Å; Y41-V115 HydrophobicContact CE2-CG2 4.23Å
42	K	97.9	Very high	90.6	Very high	128 Å²	128	66.7 Å²	66.7	56%	0.557	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.4	114.3	166.7	179.7	-176.4	176.3	-174.9	0	108.3	I59 F60	K42-I59 CarbonylContact O-C 3.55Å; K42-I59 VanDerWaalsContact O-CA 3.29Å; K42-I59 WeakPolarHBondContact O-CA 3.13Å; K42-F60 PolarHBondContact N-O 3.35Å; K42-F60 PolarHBondContact O-N 2.82Å
43	I	95.8	Very high	89.2	Confident	71 Å²	71	66.9 Å²	66.9	36%	0.364	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	132.7	174.6	-55.5	174.3	0	0	0	109.1	I37 T38 V57 I59 L70	I37-I43 HydrophobicContact CG2-CD1 3.89Å; T38-I43 HydrophobicContact CG2-CD1 4.41Å; I43-V57 HydrophobicContact CG2-CG2 4.05Å; I43-I59 HydrophobicContact CB-CG2 4.31Å; I43-I59 HydrophobicContact CG1-CG2 4.07Å; I43-I59 HydrophobicContact CG2-CG2 4.26Å; I43-L70 HydrophobicContact CD1-CD2 3.9Å; I43-L70 HydrophobicContact CG1-CD2 4.08Å; I43-L70 HydrophobicContact CG2-CD2 4.45Å
44	T	95.2	Very high	87.9	Confident	35 Å²	35	65.1 Å²	65.1	22%	0.215	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	170.8	176.3	77.9	0	0	0	0	111.7	Q46 E58 F60	T44-Q46 VanDerWaalsContact C-N 3.31Å; T44-Q46 PolarHBondContact OG1-N 2.86Å; T44-E58 WeakPolarHBondContact CB-O 3.47Å; T44-E58 WeakPolarHBondContact CG2-O 3.47Å; T44-E58 PolarHBondContact N-O 3.38Å; T44-E58 WeakPolarHBondContact OG1-CB 3.44Å; T44-E58 PolarHBondContact OG1-O 2.87Å; T44-F60 HydrophobicContact CG2-CD2 3.77Å; T44-F60 HydrophobicContact CG2-CE2 3.76Å
45	G	89.8	Confident	87.3	Confident	72 Å²	72	63.5 Å²	63.5	74%	0.742	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.1	-9	170.3	0	0	0	0	0	114	V47	G45-V47 PolarHBondContact O-N 3.11Å
46	Q	93.6	Very high	87.1	Confident	106 Å²	106	61.7 Å²	61.7	50%	0.495	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	122.7	-173.4	-179.4	169.6	-16.4	0	0	110.8	T44 L48 V57 E58	T44-Q46 VanDerWaalsContact C-N 3.31Å; T44-Q46 PolarHBondContact OG1-N 2.86Å; Q46-L48 HydrophobicContact CG-CD2 4.45Å; Q46-V57 WeakPolarHBondContact O-CA 3.35Å; Q46-E58 HydrophobicContact CB-CB 4.22Å; Q46-E58 PolarHBondContact O-N 2.78Å; Q46-E58 PolarHBondContact OE1-OE1 2.85Å
47	V	93.2	Very high	87.1	Confident	68 Å²	68	60.3 Å²	60.3	41%	0.412	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	125.1	175.6	-165.1	0	0	0	0	108.1	G45 L50 K55	G45-V47 PolarHBondContact O-N 3.11Å; V47-L50 HydrophobicContact CG1-CD2 4.2Å; V47-K55 HydrophobicContact CG1-CD 4.39Å; V47-K55 HydrophobicContact CG1-CG 3.89Å
48	L	89.2	Confident	87.1	Confident	66 Å²	66	60.8 Å²	60.8	35%	0.346	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	-28.3	175.2	-62.8	179.4	0	0	0	111.6	Q46 V56 E58 A69	Q46-L48 HydrophobicContact CG-CD2 4.45Å; L48-V56 HydrophobicContact CB-CG1 4.27Å; L48-V56 PolarHBondContact N-O 2.96Å; L48-E58 HydrophobicContact CD1-CB 3.94Å; L48-E58 HydrophobicContact CD2-CB 4.03Å; L48-E58 HydrophobicContact CG-CB 3.96Å; L48-A69 HydrophobicContact CD1-CB 3.92Å
49	G	81.1	Confident	87.1	Confident	28 Å²	28	57.5 Å²	57.5	29%	0.289	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-173	164.2	177	0	0	0	0	0	112.8	V56	G49-V56 PolarHBondContact N-O 3.05Å; G49-V56 PolarHBondContact O-N 3.31Å
50	L	74.7	Confident	87.2	Confident	149 Å²	149	55.7 Å²	55.7	78%	0.78	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.2	103.1	173.3	-64.4	172.9	0	0	0	107.7	V47 K55	V47-L50 HydrophobicContact CG1-CD2 4.2Å; L50-K55 HydrophobicContact CD2-CB 4.41Å; L50-K55 HydrophobicContact CD2-CG 4.11Å
51	G	63.5	Low	87.2	Confident	28 Å²	28	55.3 Å²	55.3	29%	0.289	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	163.8	174.6	0	0	0	0	0	111.6	N53 G54	G51-N53 PolarHBondContact O-N 2.61Å; G51-G54 WeakPolarHBondContact CA-O 3.26Å; G51-G54 PolarHBondContact N-O 3.2Å; G51-G54 PolarHBondContact O-N 3.14Å
52	I	59.3	Low	87.2	Confident	99 Å²	99	62.5 Å²	62.5	51%	0.508	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-35.3	178.3	-66.3	164.8	0	0	0	111.4	F188	I52-F188 HydrophobicContact CD1-CE2 3.76Å; I52-F188 HydrophobicContact CD1-CZ 4.23Å; I52-F188 HydrophobicContact CG2-CZ 4.41Å
53	N	66	Low	87.1	Confident	48 Å²	48	65.2 Å²	65.2	26%	0.257	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-2.7	-176.6	-66.2	-16.5	0	0	0	114.1	G51 L73 E82 G187	G51-N53 PolarHBondContact O-N 2.61Å; N53-L73 HydrophobicContact CB-CD2 3.52Å; N53-L73 WeakPolarHBondContact O-CD2 3.38Å; N53-E82 PolarHBondContact ND2-OE2 3.25Å; N53-G187 WeakPolarHBondContact ND2-CA 3.43Å
54	G	70.1	Confident	87.2	Confident	19 Å²	19	65.6 Å²	65.6	20%	0.196	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.1	164.3	179.5	0	0	0	0	0	115.3	G51	G51-G54 WeakPolarHBondContact CA-O 3.26Å; G51-G54 PolarHBondContact N-O 3.2Å; G51-G54 PolarHBondContact O-N 3.14Å
55	K	84.6	Confident	87.3	Confident	92 Å²	92	66.2 Å²	66.2	40%	0.4	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	137.1	174.2	-172.9	-175.2	-175.6	-173.8	0	110.2	V47 L50 V57	V47-K55 HydrophobicContact CG1-CD 4.39Å; V47-K55 HydrophobicContact CG1-CG 3.89Å; L50-K55 HydrophobicContact CD2-CB 4.41Å; L50-K55 HydrophobicContact CD2-CG 4.11Å; K55-V57 HydrophobicContact CD-CG1 3.77Å; K55-V57 HydrophobicContact CG-CG1 3.89Å
56	V	92.1	Very high	87.6	Confident	27 Å²	27	66.7 Å²	66.7	16%	0.164	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	126.6	169.9	-173.2	0	0	0	0	108.8	L48 G49 A69 L70 K71	L48-V56 HydrophobicContact CB-CG1 4.27Å; L48-V56 PolarHBondContact N-O 2.96Å; G49-V56 PolarHBondContact N-O 3.05Å; G49-V56 PolarHBondContact O-N 3.31Å; V56-A69 HydrophobicContact CG1-CB 3.93Å; V56-L70 CarbonylContact C-O 3.42Å; V56-L70 VanDerWaalsContact CA-O 3.28Å; V56-L70 WeakPolarHBondContact CA-O 3.46Å; V56-K71 HydrophobicContact CG2-CB 4.26Å; V56-K71 HydrophobicContact CG2-CG 4.26Å
57	V	95.1	Very high	87.8	Confident	8 Å²	8	64.6 Å²	64.6	5%	0.048	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	155.1	-178	-61.1	0	0	0	0	111.9	I43 Q46 K55 I59 L70	I43-V57 HydrophobicContact CG2-CG2 4.05Å; Q46-V57 WeakPolarHBondContact O-CA 3.35Å; K55-V57 HydrophobicContact CD-CG1 3.77Å; K55-V57 HydrophobicContact CG-CG1 3.89Å; V57-I59 HydrophobicContact CG2-CG2 4.33Å; V57-L70 HydrophobicContact CG2-CB 3.84Å; V57-L70 HydrophobicContact CG2-CD2 3.97Å; V57-L70 HydrophobicContact CG2-CG 4.11Å; V57-L70 PolarHBondContact N-O 3.44Å; V57-L70 PolarHBondContact O-N 3.42Å
58	E	97.4	Very high	88.1	Confident	16 Å²	16	63.1 Å²	63.1	8%	0.075	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	136.7	175.3	-174.2	-178.4	78.5	0	0	110.9	T44 Q46 L48 F60 K67	T44-E58 WeakPolarHBondContact CB-O 3.47Å; T44-E58 WeakPolarHBondContact CG2-O 3.47Å; T44-E58 PolarHBondContact N-O 3.38Å; T44-E58 WeakPolarHBondContact OG1-CB 3.44Å; T44-E58 PolarHBondContact OG1-O 2.87Å; Q46-E58 HydrophobicContact CB-CB 4.22Å; Q46-E58 PolarHBondContact O-N 2.78Å; Q46-E58 PolarHBondContact OE1-OE1 2.85Å; L48-E58 HydrophobicContact CD1-CB 3.94Å; L48-E58 HydrophobicContact CD2-CB 4.03Å; L48-E58 HydrophobicContact CG-CB 3.96Å; E58-F60 HydrophobicContact CG-CE2 3.91Å; E58-F60 HydrophobicContact CG-CZ 4.23Å; E58-F60 WeakPolarHBondContact OE1-CE2 3.36Å; E58-F60 WeakPolarHBondContact OE1-CZ 3.24Å; E58-K67 HydrophobicContact CG-CD 4.26Å; E58-K67 HydrophobicContact CG-CG 4.14Å; E58-K67 VanDerWaalsContact OE2-CD 3.31Å; E58-K67 WeakPolarHBondContact OE2-CD 3.42Å; E58-K67 WeakPolarHBondContact OE2-CE 3.45Å; E58-K67 IonicContact OE2-NZ 3.72Å; E58-K67 PolarHBondContact OE2-NZ 2.71Å
59	I	98.1	Very high	88.5	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	158.6	174.1	75.1	173.6	0	0	0	110.8	Y41 K42 I43 V57 Y68 L70 V115	Y41-I59 HydrophobicContact CD1-CD1 3.47Å; Y41-I59 VanDerWaalsContact CD1-CD1 3.47Å; Y41-I59 HydrophobicContact CD1-CG1 4Å; Y41-I59 HydrophobicContact CE1-CD1 4.08Å; Y41-I59 HydrophobicContact CG-CD1 3.76Å; K42-I59 CarbonylContact O-C 3.55Å; K42-I59 VanDerWaalsContact O-CA 3.29Å; K42-I59 WeakPolarHBondContact O-CA 3.13Å; I43-I59 HydrophobicContact CB-CG2 4.31Å; I43-I59 HydrophobicContact CG1-CG2 4.07Å; I43-I59 HydrophobicContact CG2-CG2 4.26Å; V57-I59 HydrophobicContact CG2-CG2 4.33Å; I59-Y68 PolarHBondContact N-O 3.15Å; I59-Y68 PolarHBondContact O-N 3.43Å; I59-L70 HydrophobicContact CD1-CB 4.12Å; I59-L70 HydrophobicContact CG1-CB 4.44Å; I59-L70 HydrophobicContact CG2-CB 3.44Å; I59-L70 VanDerWaalsContact CG2-CB 3.44Å; I59-L70 HydrophobicContact CG2-CD2 3.8Å; I59-L70 HydrophobicContact CG2-CG 4.25Å; I59-V115 HydrophobicContact CD1-CB 4.31Å; I59-V115 HydrophobicContact CD1-CG1 3.72Å; I59-V115 HydrophobicContact CD1-CG2 3.77Å
60	F	98.4	Very high	89.2	Confident	65 Å²	65	59 Å²	59	29%	0.285	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	132	175.3	-67.4	-89.9	0	0	0	110.9	Y41 K42 T44 E58 R62 G65 D66 K67	Y41-F60 CarbonylContact C-O 3.55Å; Y41-F60 VanDerWaalsContact CA-O 3.31Å; Y41-F60 WeakPolarHBondContact CA-O 3.43Å; K42-F60 PolarHBondContact N-O 3.35Å; K42-F60 PolarHBondContact O-N 2.82Å; T44-F60 HydrophobicContact CG2-CD2 3.77Å; T44-F60 HydrophobicContact CG2-CE2 3.76Å; E58-F60 HydrophobicContact CG-CE2 3.91Å; E58-F60 HydrophobicContact CG-CZ 4.23Å; E58-F60 WeakPolarHBondContact OE1-CE2 3.36Å; E58-F60 WeakPolarHBondContact OE1-CZ 3.24Å; F60-R62 PolarHBondContact O-N 3.02Å; F60-G65 WeakPolarHBondContact CD1-O 3.39Å; F60-D66 CarbonylContact C-O 3.6Å; F60-D66 VanDerWaalsContact CA-O 3.29Å; F60-D66 WeakPolarHBondContact CA-O 3.45Å; F60-K67 HydrophobicContact CD1-CB 4.05Å; F60-K67 HydrophobicContact CE1-CB 3.7Å; F60-K67 HydrophobicContact CE1-CD 4.33Å; F60-K67 HydrophobicContact CE1-CG 4.06Å; F60-K67 HydrophobicContact CZ-CB 4.41Å; F60-K67 HydrophobicContact CZ-CD 4.31Å; F60-K67 HydrophobicContact CZ-CG 4.28Å
61	Q	98.2	Very high	90.2	Very high	37 Å²	37	52.4 Å²	52.4	17%	0.173	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	129.2	173.2	-172.4	175.1	63.9	0	0	109.7	Y41 K63 T64 G65 D66 Y68	Y41-Q61 HydrophobicContact CD1-CB 3.86Å; Y41-Q61 HydrophobicContact CD1-CG 4.36Å; Y41-Q61 HydrophobicContact CE1-CB 3.61Å; Y41-Q61 HydrophobicContact CE1-CG 3.95Å; Y41-Q61 PolarHBondContact OH-NE2 2.85Å; Q61-K63 VanDerWaalsContact C-N 3.33Å; Q61-K63 PolarHBondContact O-N 2.86Å; Q61-T64 PolarHBondContact OE1-OG1 2.83Å; Q61-G65 VanDerWaalsContact O-CA 3.26Å; Q61-G65 WeakPolarHBondContact O-CA 3.39Å; Q61-G65 PolarHBondContact O-N 2.68Å; Q61-D66 PolarHBondContact N-O 2.67Å; Q61-Y68 HydrophobicContact CB-CD2 4.23Å; Q61-Y68 HydrophobicContact CB-CE2 3.72Å
62	R	97.8	Very high	91.6	Very high	151 Å²	151	53 Å²	53	57%	0.57	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-33.6	-173.2	-69.9	179.2	176.1	-82.9	5.6	113.5	T38 D39 E40 F60	T38-R62 PolarHBondContact O-NE 3.27Å; T38-R62 PolarHBondContact O-NH2 2.84Å; T38-R62 VanDerWaalsContact O-NH2 3.11Å; D39-R62 WeakPolarHBondContact O-CD 3.4Å; E40-R62 WeakPolarHBondContact O-CB 3.2Å; E40-R62 WeakPolarHBondContact O-CG 3.2Å; E40-R62 PolarHBondContact O-N 3.42Å; F60-R62 PolarHBondContact O-N 3.02Å
63	K	96.6	Very high	93.1	Very high	184 Å²	184	48.5 Å²	48.5	80%	0.8	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-43.6	-175.9	-69	-176.9	179.3	176.4	0	112.6	Q61	Q61-K63 VanDerWaalsContact C-N 3.33Å; Q61-K63 PolarHBondContact O-N 2.86Å
64	T	97.2	Very high	94.4	Very high	79 Å²	79	52.2 Å²	52.2	49%	0.485	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-23.6	-173.1	61.7	0	0	0	0	113.1	Q61 D66	Q61-T64 PolarHBondContact OE1-OG1 2.83Å; T64-D66 WeakPolarHBondContact CB-OD2 3.32Å; T64-D66 WeakPolarHBondContact OG1-CB 3.48Å; T64-D66 PolarHBondContact OG1-N 2.86Å; T64-D66 VanDerWaalsContact OG1-N 3.14Å; T64-D66 PolarHBondContact OG1-OD2 2.7Å
65	G	96.9	Very high	95.6	Very high	48 Å²	48	52.8 Å²	52.8	50%	0.495	26%	0.259	S	S	.	.			trans	78.6	6.2	-169	0	0	0	0	0	113.6	F60 Q61	F60-G65 WeakPolarHBondContact CD1-O 3.39Å; Q61-G65 VanDerWaalsContact O-CA 3.26Å; Q61-G65 WeakPolarHBondContact O-CA 3.39Å; Q61-G65 PolarHBondContact O-N 2.68Å
66	D	97.6	Very high	96	Very high	82 Å²	82	50.8 Å²	50.8	44%	0.439	26%	0.256	S	S	.	.			trans	-68.7	142.7	-178.4	-66.5	-39.1	0	0	0	111.8	F60 Q61 T64 Y68	F60-D66 CarbonylContact C-O 3.6Å; F60-D66 VanDerWaalsContact CA-O 3.29Å; F60-D66 WeakPolarHBondContact CA-O 3.45Å; Q61-D66 PolarHBondContact N-O 2.67Å; T64-D66 WeakPolarHBondContact CB-OD2 3.32Å; T64-D66 WeakPolarHBondContact OG1-CB 3.48Å; T64-D66 PolarHBondContact OG1-N 2.86Å; T64-D66 VanDerWaalsContact OG1-N 3.14Å; T64-D66 PolarHBondContact OG1-OD2 2.7Å; D66-Y68 HydrophobicContact CB-CD2 4.47Å; D66-Y68 HydrophobicContact CB-CE2 3.58Å; D66-Y68 VanDerWaalsContact O-CD2 3.32Å; D66-Y68 WeakPolarHBondContact O-CD2 3.31Å; D66-Y68 WeakPolarHBondContact O-CE2 3.5Å
67	K	97.8	Very high	96	Very high	63 Å²	63	54 Å²	54	27%	0.274	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	136	-178.2	178.3	174.6	145.4	161	0	111.6	E58 F60 C118 D120	E58-K67 HydrophobicContact CG-CD 4.26Å; E58-K67 HydrophobicContact CG-CG 4.14Å; E58-K67 VanDerWaalsContact OE2-CD 3.31Å; E58-K67 WeakPolarHBondContact OE2-CD 3.42Å; E58-K67 WeakPolarHBondContact OE2-CE 3.45Å; E58-K67 IonicContact OE2-NZ 3.72Å; E58-K67 PolarHBondContact OE2-NZ 2.71Å; F60-K67 HydrophobicContact CD1-CB 4.05Å; F60-K67 HydrophobicContact CE1-CB 3.7Å; F60-K67 HydrophobicContact CE1-CD 4.33Å; F60-K67 HydrophobicContact CE1-CG 4.06Å; F60-K67 HydrophobicContact CZ-CB 4.41Å; F60-K67 HydrophobicContact CZ-CD 4.31Å; F60-K67 HydrophobicContact CZ-CG 4.28Å; K67-C118 WeakPolarHBondContact CE-SG 3.42Å; K67-C118 HydrophobicContact CG-CB 4.25Å; K67-D120 WeakPolarHBondContact CE-OD1 3.45Å; K67-D120 WeakPolarHBondContact CE-OD2 3.29Å; K67-D120 IonicContact NZ-OD1 2.67Å; K67-D120 PolarHBondContact NZ-OD1 3.21Å; K67-D120 IonicContact NZ-OD2 3.8Å
68	Y	98.2	Very high	95.7	Very high	36 Å²	36	57.6 Å²	57.6	14%	0.141	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	167	178.1	-60.7	-80.9	0	0	0	111.8	Y41 I59 Q61 D66 I99 V115 M116	Y41-Y68 HydrophobicContact CD1-CD2 4.3Å; Y41-Y68 AromaticContact CE1-CD2 3.7Å; Y41-Y68 HydrophobicContact CE1-CD2 3.7Å; Y41-Y68 AromaticContact CE1-CE2 4Å; Y41-Y68 HydrophobicContact CE1-CE2 4Å; Y41-Y68 HydrophobicContact CE1-CG 4.4Å; I59-Y68 PolarHBondContact N-O 3.15Å; I59-Y68 PolarHBondContact O-N 3.43Å; Q61-Y68 HydrophobicContact CB-CD2 4.23Å; Q61-Y68 HydrophobicContact CB-CE2 3.72Å; D66-Y68 HydrophobicContact CB-CD2 4.47Å; D66-Y68 HydrophobicContact CB-CE2 3.58Å; D66-Y68 VanDerWaalsContact O-CD2 3.32Å; D66-Y68 WeakPolarHBondContact O-CD2 3.31Å; D66-Y68 WeakPolarHBondContact O-CE2 3.5Å; Y68-I99 HydrophobicContact CD1-CG1 3.84Å; Y68-I99 HydrophobicContact CE1-CD1 4.29Å; Y68-I99 HydrophobicContact CE1-CG1 3.81Å; Y68-I99 HydrophobicContact CE1-CG2 4.24Å; Y68-V115 HydrophobicContact CD1-CG1 4.27Å; Y68-V115 HydrophobicContact CG-CG1 3.97Å; Y68-M116 WeakPolarHBondContact CB-O 3.32Å
69	A	97.3	Very high	95.4	Very high	8 Å²	8	57.1 Å²	57.1	7%	0.066	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	139.2	170.7	0	0	0	0	0	110.3	L48 V56 V115 M116	L48-A69 HydrophobicContact CD1-CB 3.92Å; V56-A69 HydrophobicContact CG1-CB 3.93Å; A69-V115 CarbonylContact O-C 3.58Å; A69-V115 WeakPolarHBondContact O-CA 3.31Å; A69-M116 HydrophobicContact CB-CE 4.44Å; A69-M116 PolarHBondContact N-O 3.26Å; A69-M116 PolarHBondContact O-N 3.31Å
70	L	96.8	Very high	95.3	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	115.9	176.5	172.2	59.8	0	0	0	110.3	I37 I43 V56 V57 I59 M72 L113 I114	I37-L70 HydrophobicContact CD1-CD1 3.83Å; I37-L70 HydrophobicContact CD1-CD2 4.09Å; I43-L70 HydrophobicContact CD1-CD2 3.9Å; I43-L70 HydrophobicContact CG1-CD2 4.08Å; I43-L70 HydrophobicContact CG2-CD2 4.45Å; V56-L70 CarbonylContact C-O 3.42Å; V56-L70 VanDerWaalsContact CA-O 3.28Å; V56-L70 WeakPolarHBondContact CA-O 3.46Å; V57-L70 HydrophobicContact CG2-CB 3.84Å; V57-L70 HydrophobicContact CG2-CD2 3.97Å; V57-L70 HydrophobicContact CG2-CG 4.11Å; V57-L70 PolarHBondContact N-O 3.44Å; V57-L70 PolarHBondContact O-N 3.42Å; I59-L70 HydrophobicContact CD1-CB 4.12Å; I59-L70 HydrophobicContact CG1-CB 4.44Å; I59-L70 HydrophobicContact CG2-CB 3.44Å; I59-L70 VanDerWaalsContact CG2-CB 3.44Å; I59-L70 HydrophobicContact CG2-CD2 3.8Å; I59-L70 HydrophobicContact CG2-CG 4.25Å; L70-M72 HydrophobicContact CD2-CG 4.4Å; L70-M72 HydrophobicContact CG-CG 4.17Å; L70-L113 HydrophobicContact CD1-CB 3.82Å; L70-I114 WeakPolarHBondContact CA-O 3.29Å
71	K	94.8	Very high	95	Very high	11 Å²	11	64.4 Å²	64.4	5%	0.048	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	131.6	168.3	-172.8	178.4	-166.6	-178.7	0	109.5	V56 L73 E82 I114 M116 D185	V56-K71 HydrophobicContact CG2-CB 4.26Å; V56-K71 HydrophobicContact CG2-CG 4.26Å; K71-L73 HydrophobicContact CD-CD2 4.39Å; K71-L73 HydrophobicContact CG-CD2 4.28Å; K71-E82 IonicContact NZ-OE1 3.53Å; K71-E82 PolarHBondContact NZ-OE1 2.89Å; K71-I114 HydrophobicContact CB-CB 4.36Å; K71-I114 HydrophobicContact CB-CD1 4.43Å; K71-I114 HydrophobicContact CD-CD1 4.38Å; K71-I114 PolarHBondContact N-O 3.5Å; K71-I114 PolarHBondContact O-N 2.77Å; K71-M116 HydrophobicContact CB-CE 3.65Å; K71-D185 IonicContact NZ-OD1 3.7Å; K71-D185 PolarHBondContact NZ-OD1 3.06Å; K71-D185 IonicContact NZ-OD2 3.9Å
72	M	92.6	Very high	94.8	Very high	40 Å²	40	63 Å²	63	20%	0.197	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	121.9	178.7	-59.4	-178.4	58.4	0	0	110.2	L70 Y106 L113	L70-M72 HydrophobicContact CD2-CG 4.4Å; L70-M72 HydrophobicContact CG-CG 4.17Å; M72-Y106 HydrophobicContact CE-CD1 3.71Å; M72-Y106 HydrophobicContact CE-CD2 3.78Å; M72-Y106 HydrophobicContact CE-CE1 4Å; M72-Y106 HydrophobicContact CE-CE2 4.06Å; M72-Y106 HydrophobicContact CE-CG 3.59Å; M72-L113 HydrophobicContact CB-CD2 4.22Å; M72-L113 HydrophobicContact CE-CD2 3.86Å; M72-L113 HydrophobicContact CG-CD2 3.75Å; M72-L113 HydrophobicContact SD-CD2 4.4Å
73	L	92.3	Very high	94.7	Very high	5 Å²	5	56 Å²	56	3%	0.026	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	143.7	175.6	-59.2	-176.3	0	0	0	110	N53 K71 D75 A79 E82 C111 L112 I114	N53-L73 HydrophobicContact CB-CD2 3.52Å; N53-L73 WeakPolarHBondContact O-CD2 3.38Å; K71-L73 HydrophobicContact CD-CD2 4.39Å; K71-L73 HydrophobicContact CG-CD2 4.28Å; L73-D75 PolarHBondContact O-N 2.87Å; L73-A79 HydrophobicContact CB-CB 3.92Å; L73-A79 HydrophobicContact CD1-CB 3.85Å; L73-E82 HydrophobicContact CD1-CG 4.4Å; L73-C111 CarbonylContact O-C 3.49Å; L73-C111 WeakPolarHBondContact O-CA 3.15Å; L73-C111 WeakPolarHBondContact O-CB 3.14Å; L73-L112 HydrophobicContact CB-CB 4.46Å; L73-L112 PolarHBondContact N-O 3.04Å; L73-L112 PolarHBondContact O-N 3.48Å; L73-I114 HydrophobicContact CD1-CD1 3.65Å; L73-I114 HydrophobicContact CG-CD1 4Å
74	Q	93.3	Very high	94.7	Very high	125 Å²	125	50.1 Å²	50.1	58%	0.584	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.3	130.8	164.5	-177	174.2	-10.1	0	0	108.7	C76 A79	Q74-C76 PolarHBondContact O-N 2.88Å; Q74-C76 VanDerWaalsContact O-N 3.1Å; Q74-A79 WeakPolarHBondContact O-CB 3.32Å
75	D	94.7	Very high	94.6	Very high	31 Å²	31	46.8 Å²	46.8	17%	0.166	24%	0.239	C	C	.	.			trans	-68.6	111.6	-178.8	-178	14.4	0	0	0	110.4	L73 R80 K110 L112	L73-D75 PolarHBondContact O-N 2.87Å; D75-R80 VanDerWaalsContact CG-NH2 3.31Å; D75-R80 IonicContact OD1-CZ 2.68Å; D75-R80 IonicContact OD1-NE 2.87Å; D75-R80 PolarHBondContact OD1-NE 2.77Å; D75-R80 IonicContact OD1-NH2 2.7Å; D75-R80 PolarHBondContact OD1-NH2 2.75Å; D75-R80 IonicContact OD2-CZ 3.72Å; D75-R80 IonicContact OD2-NE 3.73Å; D75-R80 IonicContact OD2-NH2 2.67Å; D75-R80 PolarHBondContact OD2-NH2 3.05Å; D75-K110 HydrophobicContact CB-CB 3.85Å; D75-K110 WeakPolarHBondContact CB-O 3.31Å; D75-K110 PolarHBondContact N-O 2.81Å; D75-L112 HydrophobicContact CB-CG 4.12Å
76	C	92.5	Very high	94.6	Very high	51 Å²	51	44.8 Å²	44.8	35%	0.345	22%	0.216	S	C	.	.	S	Bend	trans	-151.6	166.3	176.3	72.8	0	0	0	0	109.5	Q74 K78 A79 R80	Q74-C76 PolarHBondContact O-N 2.88Å; Q74-C76 VanDerWaalsContact O-N 3.1Å; C76-K78 PolarHBondContact O-N 2.94Å; C76-A79 PolarHBondContact O-N 3.33Å; C76-A79 VanDerWaalsContact O-N 3.12Å; C76-A79 PolarHBondContact SG-N 3.4Å; C76-R80 PolarHBondContact O-N 3.33Å
77	P	91.8	Very high	94.6	Very high	95 Å²	95	44 Å²	44	62%	0.617	21%	0.208	S	C	*	.	H	α-helix	trans	-54.9	-37.2	-179.9	-28.1	36.1	0	0	0	113.7	R80 R81	P77-R80 PolarHBondContact O-N 3.47Å; P77-R81 WeakPolarHBondContact O-CG 3.34Å; P77-R81 PolarHBondContact O-N 2.94Å
78	K	89.4	Confident	94.5	Very high	83 Å²	83	44.7 Å²	44.7	36%	0.361	21%	0.208	S	C	.	.	H	α-helix	trans	-64.7	-46.9	177.5	-174.9	176.5	177.5	177	0	111.9	C76 R80 R81 E82	C76-K78 PolarHBondContact O-N 2.94Å; K78-R80 PolarHBondContact O-N 3.25Å; K78-R81 PolarHBondContact O-N 2.8Å; K78-E82 PolarHBondContact O-N 3.05Å
79	A	92.3	Very high	94.5	Very high	6 Å²	6	43 Å²	43	5%	0.05	20%	0.202	C	C	.	.	H	α-helix	trans	-64.1	-39.4	177.3	0	0	0	0	0	112	L73 Q74 C76 R81 E82 V83 L112	L73-A79 HydrophobicContact CB-CB 3.92Å; L73-A79 HydrophobicContact CD1-CB 3.85Å; Q74-A79 WeakPolarHBondContact O-CB 3.32Å; C76-A79 PolarHBondContact O-N 3.33Å; C76-A79 VanDerWaalsContact O-N 3.12Å; C76-A79 PolarHBondContact SG-N 3.4Å; A79-R81 PolarHBondContact O-N 2.78Å; A79-E82 WeakPolarHBondContact O-CB 3.07Å; A79-E82 PolarHBondContact O-N 2.67Å; A79-V83 WeakPolarHBondContact O-CG2 3.3Å; A79-V83 PolarHBondContact O-N 3.05Å; A79-L112 HydrophobicContact CB-CD1 4.03Å
80	R	94.7	Very high	94.4	Very high	91 Å²	91	43.1 Å²	43.1	34%	0.343	20%	0.202	S	C	.	.	H	α-helix	trans	-63.3	-40.2	175.2	-71.6	-176.6	177.9	-96.6	-1.8	112.6	D75 C76 P77 K78 V83 E84 E103 L112	D75-R80 VanDerWaalsContact CG-NH2 3.31Å; D75-R80 IonicContact OD1-CZ 2.68Å; D75-R80 IonicContact OD1-NE 2.87Å; D75-R80 PolarHBondContact OD1-NE 2.77Å; D75-R80 IonicContact OD1-NH2 2.7Å; D75-R80 PolarHBondContact OD1-NH2 2.75Å; D75-R80 IonicContact OD2-CZ 3.72Å; D75-R80 IonicContact OD2-NE 3.73Å; D75-R80 IonicContact OD2-NH2 2.67Å; D75-R80 PolarHBondContact OD2-NH2 3.05Å; C76-R80 PolarHBondContact O-N 3.33Å; P77-R80 PolarHBondContact O-N 3.47Å; K78-R80 PolarHBondContact O-N 3.25Å; R80-V83 PolarHBondContact O-N 2.72Å; R80-E84 WeakPolarHBondContact O-CB 3.46Å; R80-E84 PolarHBondContact O-N 2.84Å; R80-E103 IonicContact CZ-OE2 2.81Å; R80-E103 IonicContact NH1-OE2 3.91Å; R80-E103 IonicContact NH2-OE2 2.95Å; R80-E103 PolarHBondContact NH2-OE2 3.01Å; R80-L112 HydrophobicContact CG-CD1 3.69Å
81	R	93	Very high	94.4	Very high	127 Å²	127	45.9 Å²	45.9	48%	0.479	22%	0.22	S	C	.	.	H	α-helix	trans	-63.4	-45.2	173.7	-72.7	-174.6	-54.3	-125.4	7.4	111.7	P77 K78 A79 V83 E84 L85 E346	P77-R81 WeakPolarHBondContact O-CG 3.34Å; P77-R81 PolarHBondContact O-N 2.94Å; K78-R81 PolarHBondContact O-N 2.8Å; A79-R81 PolarHBondContact O-N 2.78Å; R81-V83 VanDerWaalsContact C-N 3.33Å; R81-V83 PolarHBondContact O-N 2.86Å; R81-E84 PolarHBondContact O-N 2.88Å; R81-L85 WeakPolarHBondContact O-CB 3.43Å; R81-L85 VanDerWaalsContact O-CG 3.22Å; R81-L85 WeakPolarHBondContact O-CG 3.44Å; R81-L85 PolarHBondContact O-N 3.11Å; R81-E346 IonicContact NH2-OE1 2.81Å; R81-E346 PolarHBondContact NH2-OE1 3.07Å
82	E	93.6	Very high	94.5	Very high	8 Å²	8	46 Å²	46	4%	0.037	22%	0.222	C	C	.	.	H	α-helix	trans	-53.9	-50.4	175.1	168.8	178.4	169.4	0	0	111.1	N53 K71 L73 K78 A79 L85 H86 F186 G187	N53-E82 PolarHBondContact ND2-OE2 3.25Å; K71-E82 IonicContact NZ-OE1 3.53Å; K71-E82 PolarHBondContact NZ-OE1 2.89Å; L73-E82 HydrophobicContact CD1-CG 4.4Å; K78-E82 PolarHBondContact O-N 3.05Å; A79-E82 WeakPolarHBondContact O-CB 3.07Å; A79-E82 PolarHBondContact O-N 2.67Å; E82-L85 PolarHBondContact O-N 2.97Å; E82-H86 WeakPolarHBondContact O-CB 3.5Å; E82-H86 PolarHBondContact O-N 3.45Å; E82-F186 HydrophobicContact CG-CB 4.06Å; E82-G187 VanDerWaalsContact CD-CA 3.46Å; E82-G187 WeakPolarHBondContact OE2-CA 3.47Å
83	V	95.6	Very high	94.8	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.012	23%	0.234	C	C	.	.	H	α-helix	trans	-62.4	-45.4	179.5	175.7	0	0	0	0	112.1	L30 A79 R80 R81 H86 W87 V101 L112 I114	L30-V83 HydrophobicContact CD2-CG1 3.68Å; A79-V83 WeakPolarHBondContact O-CG2 3.3Å; A79-V83 PolarHBondContact O-N 3.05Å; R80-V83 PolarHBondContact O-N 2.72Å; R81-V83 VanDerWaalsContact C-N 3.33Å; R81-V83 PolarHBondContact O-N 2.86Å; V83-H86 PolarHBondContact O-N 3.28Å; V83-W87 WeakPolarHBondContact O-CB 3.39Å; V83-W87 PolarHBondContact O-N 3.25Å; V83-V101 HydrophobicContact CG1-CB 4.49Å; V83-V101 HydrophobicContact CG1-CG1 4.01Å; V83-V101 HydrophobicContact CG1-CG2 3.73Å; V83-L112 HydrophobicContact CG2-CD1 4.21Å; V83-I114 HydrophobicContact CG2-CD1 3.48Å; V83-I114 VanDerWaalsContact CG2-CD1 3.48Å; V83-I114 HydrophobicContact CG2-CG1 3.77Å
84	E	95.9	Very high	95.1	Very high	62 Å²	62	47 Å²	47	29%	0.29	24%	0.236	S	C	.	.	H	α-helix	trans	-63.7	-44.6	-179.5	179	55.4	-146.4	0	0	111.9	R80 R81 H86 W87 R88	R80-E84 WeakPolarHBondContact O-CB 3.46Å; R80-E84 PolarHBondContact O-N 2.84Å; R81-E84 PolarHBondContact O-N 2.88Å; E84-H86 PolarHBondContact O-N 3.08Å; E84-W87 PolarHBondContact O-N 3.47Å; E84-R88 WeakPolarHBondContact O-CG 3.34Å; E84-R88 PolarHBondContact O-N 3.45Å; E84-R88 IonicContact OE1-NE 3.93Å
85	L	95.8	Very high	95.3	Very high	8 Å²	8	41 Å²	41	4%	0.042	21%	0.208	C	C	.	.	H	α-helix	trans	-62.9	-43.3	177.3	-68.4	169	0	0	0	111.3	R81 E82 R88 A89 I160 F186 A189 E191	R81-L85 WeakPolarHBondContact O-CB 3.43Å; R81-L85 VanDerWaalsContact O-CG 3.22Å; R81-L85 WeakPolarHBondContact O-CG 3.44Å; R81-L85 PolarHBondContact O-N 3.11Å; E82-L85 PolarHBondContact O-N 2.97Å; L85-R88 PolarHBondContact O-N 3.37Å; L85-A89 WeakPolarHBondContact O-CB 3.33Å; L85-A89 PolarHBondContact O-N 3.35Å; L85-A89 VanDerWaalsContact O-N 3.07Å; L85-I160 HydrophobicContact CB-CD1 4.21Å; L85-I160 HydrophobicContact CD2-CD1 3.59Å; L85-I160 HydrophobicContact CD2-CG1 3.73Å; L85-I160 HydrophobicContact CD2-CG2 4.28Å; L85-F186 HydrophobicContact CB-CD1 4.31Å; L85-A189 HydrophobicContact CB-CB 4.49Å; L85-A189 HydrophobicContact CD1-CB 4.08Å; L85-A189 WeakPolarHBondContact CD1-O 3.4Å; L85-E191 HydrophobicContact CD2-CB 4.26Å
86	H	97.2	Very high	95.5	Very high	6 Å²	6	39.7 Å²	39.7	3%	0.028	20%	0.2	C	C	.	.	H	α-helix	trans	-68.8	-35.6	178	-167.1	-179.2	0	0	0	112.2	E82 V83 E84 A89 S90 V96 I98 F186	E82-H86 WeakPolarHBondContact O-CB 3.5Å; E82-H86 PolarHBondContact O-N 3.45Å; V83-H86 PolarHBondContact O-N 3.28Å; E84-H86 PolarHBondContact O-N 3.08Å; H86-A89 CarbonylContact O-C 3.45Å; H86-A89 PolarHBondContact O-N 2.83Å; H86-S90 PolarHBondContact O-N 3.5Å; H86-S90 PolarHBondContact O-OG 2.83Å; H86-V96 PolarHBondContact NE2-O 3.23Å; H86-I98 HydrophobicContact CB-CD1 3.68Å; H86-F186 HydrophobicContact CB-CB 3.84Å; H86-F186 HydrophobicContact CB-CD1 3.88Å; H86-F186 HydrophobicContact CB-CD2 3.83Å; H86-F186 HydrophobicContact CB-CE1 4.43Å; H86-F186 HydrophobicContact CB-CE2 4.4Å; H86-F186 HydrophobicContact CB-CG 3.56Å; H86-F186 AromaticContact CD2-CD2 3.5Å; H86-F186 VanDerWaalsContact CD2-CD2 3.5Å; H86-F186 WeakPolarHBondContact CD2-CD2 3.25Å; H86-F186 AromaticContact CD2-CE2 3.4Å; H86-F186 WeakPolarHBondContact CD2-CE2 3.48Å; H86-F186 AromaticContact CD2-CZ 3.93Å; H86-F186 AromaticContact CG-CD2 3.42Å; H86-F186 VanDerWaalsContact CG-CD2 3.42Å; H86-F186 AromaticContact CG-CE2 3.83Å; H86-F186 AromaticContact CG-CG 3.73Å; H86-F186 AromaticContact ND1-CD2 3.75Å; H86-F186 AromaticContact NE2-CD2 3.87Å; H86-F186 AromaticContact NE2-CE2 3.75Å
87	W	96.9	Very high	95.7	Very high	67 Å²	67	43.4 Å²	43.4	25%	0.254	21%	0.207	S	C	.	.	H	α-helix	trans	-62.1	-47.1	173.6	-177.4	-99.6	0	0	0	111.4	L30 V83 E84 A89 S90 I98	L30-W87 HydrophobicContact CB-CD2 4.19Å; L30-W87 HydrophobicContact CB-CG 3.96Å; L30-W87 HydrophobicContact CD1-CB 4.48Å; L30-W87 HydrophobicContact CD1-CD2 3.64Å; L30-W87 HydrophobicContact CD1-CE3 3.65Å; L30-W87 HydrophobicContact CD1-CG 4.01Å; L30-W87 HydrophobicContact CD1-CZ3 4.11Å; L30-W87 HydrophobicContact CG-CD2 4.45Å; L30-W87 HydrophobicContact CG-CG 4.4Å; V83-W87 WeakPolarHBondContact O-CB 3.39Å; V83-W87 PolarHBondContact O-N 3.25Å; E84-W87 PolarHBondContact O-N 3.47Å; W87-A89 PolarHBondContact O-N 3.32Å; W87-S90 WeakPolarHBondContact O-CB 3.37Å; W87-S90 PolarHBondContact O-N 3.01Å; W87-I98 HydrophobicContact CE3-CB 3.85Å; W87-I98 HydrophobicContact CE3-CG2 3.66Å; W87-I98 HydrophobicContact CZ3-CB 4.21Å; W87-I98 HydrophobicContact CZ3-CG2 3.81Å
88	R	96.2	Very high	96	Very high	77 Å²	77	39.1 Å²	39.1	29%	0.291	18%	0.179	S	C	.	.	H	α-helix	trans	-59.5	-31.5	173.9	-71.4	-169.4	-76.7	174.3	-12	112.7	E84 L85 P91 I158 I160 E191	E84-R88 WeakPolarHBondContact O-CG 3.34Å; E84-R88 PolarHBondContact O-N 3.45Å; E84-R88 IonicContact OE1-NE 3.93Å; L85-R88 PolarHBondContact O-N 3.37Å; R88-P91 WeakPolarHBondContact O-CD 3.36Å; R88-I158 HydrophobicContact CB-CD1 4.23Å; R88-I160 HydrophobicContact CB-CD1 4.32Å; R88-E191 IonicContact CZ-OE1 3.72Å; R88-E191 IonicContact CZ-OE2 3.67Å; R88-E191 IonicContact NH1-OE1 2.83Å; R88-E191 PolarHBondContact NH1-OE1 3.17Å; R88-E191 IonicContact NH1-OE2 3.5Å; R88-E191 IonicContact NH2-OE1 3.62Å; R88-E191 IonicContact NH2-OE2 2.86Å; R88-E191 PolarHBondContact NH2-OE2 3.07Å
89	A	97.3	Very high	96.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-82.5	-23.7	179.8	0	0	0	0	0	115	L85 H86 W87 P91 C92 I95 L155 F186	L85-A89 WeakPolarHBondContact O-CB 3.33Å; L85-A89 PolarHBondContact O-N 3.35Å; L85-A89 VanDerWaalsContact O-N 3.07Å; H86-A89 CarbonylContact O-C 3.45Å; H86-A89 PolarHBondContact O-N 2.83Å; W87-A89 PolarHBondContact O-N 3.32Å; A89-P91 VanDerWaalsContact C-N 3.28Å; A89-P91 WeakPolarHBondContact O-CD 3.28Å; A89-P91 VanDerWaalsContact O-N 3.11Å; A89-C92 WeakPolarHBondContact O-CB 3.47Å; A89-C92 PolarHBondContact O-N 2.84Å; A89-I95 HydrophobicContact CB-CD1 3.89Å; A89-I95 HydrophobicContact CB-CG2 4.09Å; A89-L155 HydrophobicContact CB-CD2 3.54Å; A89-F186 HydrophobicContact CB-CE1 3.44Å; A89-F186 VanDerWaalsContact CB-CE1 3.44Å; A89-F186 HydrophobicContact CB-CZ 3.46Å; A89-F186 VanDerWaalsContact CB-CZ 3.46Å
90	S	96.6	Very high	96.6	Very high	11 Å²	11	38.5 Å²	38.5	8%	0.077	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-21.2	-177.1	-70.3	0	0	0	0	117	H86 W87 C92 I98	H86-S90 PolarHBondContact O-N 3.5Å; H86-S90 PolarHBondContact O-OG 2.83Å; W87-S90 WeakPolarHBondContact O-CB 3.37Å; W87-S90 PolarHBondContact O-N 3.01Å; S90-C92 VanDerWaalsContact C-N 3.27Å; S90-C92 PolarHBondContact O-N 3.39Å; S90-I98 PolarHBondContact OG-N 3.14Å
91	P	96	Very high	96.8	Very high	58 Å²	58	34.2 Å²	34.2	38%	0.377	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-25.1	170.2	-29	39.6	0	0	0	115.4	R27 R88 A89 F154	R27-P91 VanDerWaalsContact NH1-CB 3.28Å; R27-P91 VanDerWaalsContact NH1-CG 3.29Å; R88-P91 WeakPolarHBondContact O-CD 3.36Å; A89-P91 VanDerWaalsContact C-N 3.28Å; A89-P91 WeakPolarHBondContact O-CD 3.28Å; A89-P91 VanDerWaalsContact O-N 3.11Å; P91-F154 HydrophobicContact CB-CZ 4.04Å; P91-F154 HydrophobicContact CG-CZ 4.47Å
92	C	97.5	Very high	97	Very high	12 Å²	12	28.2 Å²	28.2	8%	0.081	14%	0.14	C	C	.	.	S	Bend	trans	-71.7	133.5	-179.2	-177.9	0	0	0	0	110.8	A89 S90 N94 I95 F154	A89-C92 WeakPolarHBondContact O-CB 3.47Å; A89-C92 PolarHBondContact O-N 2.84Å; S90-C92 VanDerWaalsContact C-N 3.27Å; S90-C92 PolarHBondContact O-N 3.39Å; C92-N94 VanDerWaalsContact C-N 3.25Å; C92-N94 PolarHBondContact O-N 3.34Å; C92-I95 HydrophobicContact CB-CB 4.05Å; C92-I95 HydrophobicContact CB-CD1 3.71Å; C92-I95 HydrophobicContact CB-CG1 3.83Å; C92-I95 PolarHBondContact O-N 3.09Å; C92-F154 HydrophobicContact CB-CB 4.1Å; C92-F154 HydrophobicContact CB-CD1 3.73Å; C92-F154 HydrophobicContact CB-CD2 3.99Å; C92-F154 HydrophobicContact CB-CE1 4.16Å; C92-F154 HydrophobicContact CB-CE2 4.38Å; C92-F154 HydrophobicContact CB-CG 3.64Å; C92-F154 HydrophobicContact CB-CZ 4.46Å
93	A	97.5	Very high	97.2	Very high	54 Å²	54	29.4 Å²	29.4	45%	0.446	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-32.3	-179.2	0	0	0	0	0	112.8	I95 K182	A93-I95 VanDerWaalsContact C-N 3.29Å; A93-I95 PolarHBondContact O-N 2.88Å; A93-K182 WeakPolarHBondContact O-CE 3.34Å; A93-K182 PolarHBondContact O-NZ 3.44Å
94	N	98.4	Very high	97.2	Very high	13 Å²	13	30.6 Å²	30.6	7%	0.07	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	17.2	-178.6	-54.5	82.6	0	0	0	112.7	C92 S147 E150 A151 L181 K182 L183	C92-N94 VanDerWaalsContact C-N 3.25Å; C92-N94 PolarHBondContact O-N 3.34Å; N94-S147 WeakPolarHBondContact CB-O 3.22Å; N94-S147 PolarHBondContact ND2-O 3.34Å; N94-E150 PolarHBondContact OD1-OE2 2.92Å; N94-A151 HydrophobicContact CB-CB 3.87Å; N94-L181 PolarHBondContact ND2-O 3.44Å; N94-K182 CarbonylContact O-C 3.59Å; N94-K182 VanDerWaalsContact O-CA 3.23Å; N94-K182 WeakPolarHBondContact O-CA 3.27Å; N94-L183 PolarHBondContact O-N 2.99Å
95	I	98.6	Very high	97.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-124.6	137.6	174.3	-62.9	179.6	0	0	0	108.1	A89 C92 A93 R97 A151 F154 L155 F186	A89-I95 HydrophobicContact CB-CD1 3.89Å; A89-I95 HydrophobicContact CB-CG2 4.09Å; C92-I95 HydrophobicContact CB-CB 4.05Å; C92-I95 HydrophobicContact CB-CD1 3.71Å; C92-I95 HydrophobicContact CB-CG1 3.83Å; C92-I95 PolarHBondContact O-N 3.09Å; A93-I95 VanDerWaalsContact C-N 3.29Å; A93-I95 PolarHBondContact O-N 2.88Å; I95-R97 PolarHBondContact O-N 2.84Å; I95-A151 HydrophobicContact CD1-CB 4.42Å; I95-A151 HydrophobicContact CG1-CB 3.95Å; I95-F154 HydrophobicContact CD1-CD1 4.31Å; I95-L155 HydrophobicContact CD1-CD1 4.29Å; I95-L155 HydrophobicContact CD1-CD2 3.76Å; I95-L155 HydrophobicContact CD1-CG 3.81Å; I95-F186 HydrophobicContact CD1-CZ 4.31Å; I95-F186 HydrophobicContact CG2-CE2 3.76Å; I95-F186 HydrophobicContact CG2-CZ 3.68Å
96	V	97.9	Very high	96.8	Very high	2 Å²	2	39 Å²	39	1%	0.012	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-59.7	128.6	176.4	172.8	0	0	0	0	109.3	H86 M116 E117 M119 K182 L183	H86-V96 PolarHBondContact NE2-O 3.23Å; V96-M116 HydrophobicContact CG1-CB 3.99Å; V96-M116 HydrophobicContact CG1-SD 4.38Å; V96-E117 WeakPolarHBondContact CA-OE1 3.49Å; V96-E117 HydrophobicContact CG1-CG 3.92Å; V96-M119 HydrophobicContact CG2-CE 4.27Å; V96-M119 HydrophobicContact CG2-CG 3.87Å; V96-M119 HydrophobicContact CG2-SD 3.89Å; V96-K182 HydrophobicContact CG2-CB 3.98Å; V96-L183 PolarHBondContact N-O 2.96Å
97	R	97.9	Very high	96.3	Very high	129 Å²	129	46.6 Å²	46.6	49%	0.487	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-82.9	131.2	-177.1	-171.3	-177.9	-59.5	158.3	5.2	111.5	I95 I99 M116 E117	I95-R97 PolarHBondContact O-N 2.84Å; R97-I99 HydrophobicContact CB-CD1 4.48Å; R97-I99 HydrophobicContact CG-CD1 4.13Å; R97-M116 VanDerWaalsContact O-CA 3.3Å; R97-M116 WeakPolarHBondContact O-CA 3.42Å; R97-E117 HydrophobicContact CB-CG 4.32Å; R97-E117 WeakPolarHBondContact CB-OE1 3.21Å; R97-E117 PolarHBondContact N-OE1 3.4Å; R97-E117 PolarHBondContact O-N 3.21Å
98	I	97.8	Very high	96	Very high	6 Å²	6	46.9 Å²	46.9	3%	0.031	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	129	161.9	-62.4	-179.1	0	0	0	109.1	H86 W87 S90 V101 I114 M116	H86-I98 HydrophobicContact CB-CD1 3.68Å; W87-I98 HydrophobicContact CE3-CB 3.85Å; W87-I98 HydrophobicContact CE3-CG2 3.66Å; W87-I98 HydrophobicContact CZ3-CB 4.21Å; W87-I98 HydrophobicContact CZ3-CG2 3.81Å; S90-I98 PolarHBondContact OG-N 3.14Å; I98-V101 HydrophobicContact CG2-CG2 3.66Å; I98-I114 HydrophobicContact CD1-CG2 3.83Å; I98-I114 HydrophobicContact CG1-CG2 3.9Å; I98-I114 HydrophobicContact CG2-CG2 4.03Å; I98-M116 HydrophobicContact CG1-CG 4.37Å
99	I	97.6	Very high	95.8	Very high	49 Å²	49	49.1 Å²	49.1	25%	0.251	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-50.3	178.9	-51.2	-57.6	0	0	0	110.2	Y68 R97 V115	Y68-I99 HydrophobicContact CD1-CG1 3.84Å; Y68-I99 HydrophobicContact CE1-CD1 4.29Å; Y68-I99 HydrophobicContact CE1-CG1 3.81Å; Y68-I99 HydrophobicContact CE1-CG2 4.24Å; R97-I99 HydrophobicContact CB-CD1 4.48Å; R97-I99 HydrophobicContact CG-CD1 4.13Å; I99-V115 HydrophobicContact CB-CB 4.42Å; I99-V115 HydrophobicContact CB-CG1 4.1Å; I99-V115 PolarHBondContact N-O 2.91Å
100	D	97.6	Very high	95.7	Very high	27 Å²	27	55.1 Å²	55.1	14%	0.144	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	154.9	-178.5	-75.5	-60	0	0	0	110.5	K33 Y41 Y102 V115	K33-D100 WeakPolarHBondContact CE-OD1 3.46Å; K33-D100 VanDerWaalsContact NZ-CG 3.29Å; K33-D100 IonicContact NZ-OD1 2.73Å; K33-D100 PolarHBondContact NZ-OD1 2.94Å; K33-D100 IonicContact NZ-OD2 3.42Å; K33-D100 PolarHBondContact NZ-OD2 3.21Å; Y41-D100 PolarHBondContact OH-OD2 3.47Å; D100-Y102 HydrophobicContact CB-CD2 4.34Å; D100-Y102 HydrophobicContact CB-CE2 3.65Å; D100-V115 HydrophobicContact CB-CB 4.04Å; D100-V115 HydrophobicContact CB-CG2 4.1Å; D100-V115 PolarHBondContact N-O 3.45Å; D100-V115 PolarHBondContact O-N 3.18Å
101	V	97.9	Very high	95.7	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.006	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	128.6	170.7	-175.4	0	0	0	0	109.2	L30 I32 K33 V83 I98 L113	L30-V101 HydrophobicContact CD1-CB 4.13Å; L30-V101 HydrophobicContact CD1-CG2 3.7Å; I32-V101 WeakPolarHBondContact CA-O 3.16Å; I32-V101 HydrophobicContact CG1-CG1 4.18Å; I32-V101 HydrophobicContact CG2-CG1 4.32Å; K33-V101 PolarHBondContact N-O 2.95Å; V83-V101 HydrophobicContact CG1-CB 4.49Å; V83-V101 HydrophobicContact CG1-CG1 4.01Å; V83-V101 HydrophobicContact CG1-CG2 3.73Å; I98-V101 HydrophobicContact CG2-CG2 3.66Å; V101-L113 CarbonylContact C-O 3.58Å; V101-L113 WeakPolarHBondContact CA-O 3.43Å
102	Y	97.9	Very high	95.7	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	147.7	174.4	-58.8	-105.9	0	0	0	111.2	K33 N35 I37 E40 Y41 D100 L112 L113 V115	K33-Y102 HydrophobicContact CB-CD1 3.42Å; K33-Y102 VanDerWaalsContact CB-CD1 3.42Å; K33-Y102 HydrophobicContact CB-CE1 3.58Å; K33-Y102 HydrophobicContact CB-CG 4Å; K33-Y102 HydrophobicContact CD-CD1 4.15Å; K33-Y102 HydrophobicContact CD-CE1 3.44Å; K33-Y102 VanDerWaalsContact CD-CE1 3.44Å; K33-Y102 HydrophobicContact CD-CE2 4.08Å; K33-Y102 WeakPolarHBondContact CD-OH 3.34Å; K33-Y102 HydrophobicContact CG-CD1 4.43Å; K33-Y102 HydrophobicContact CG-CE1 4.16Å; K33-Y102 PolarHBondContact NZ-OH 2.66Å; K33-Y102 CarbonylContact O-C 3.49Å; K33-Y102 VanDerWaalsContact O-CA 3.31Å; K33-Y102 WeakPolarHBondContact O-CA 3.28Å; N35-Y102 WeakPolarHBondContact O-CD1 3.35Å; I37-Y102 HydrophobicContact CB-CD1 4.17Å; I37-Y102 HydrophobicContact CB-CD2 4.18Å; I37-Y102 HydrophobicContact CB-CE1 4.48Å; I37-Y102 HydrophobicContact CB-CE2 4.49Å; I37-Y102 HydrophobicContact CB-CG 4.03Å; I37-Y102 HydrophobicContact CD1-CD2 3.87Å; I37-Y102 HydrophobicContact CD1-CE2 4.21Å; I37-Y102 HydrophobicContact CD1-CG 4.47Å; I37-Y102 HydrophobicContact CG1-CD2 3.87Å; I37-Y102 HydrophobicContact CG1-CE2 3.92Å; I37-Y102 HydrophobicContact CG1-CG 4.26Å; E40-Y102 WeakPolarHBondContact OE1-CE1 3.34Å; E40-Y102 PolarHBondContact OE1-OH 3.4Å; E40-Y102 PolarHBondContact OE2-OH 2.82Å; Y41-Y102 HydrophobicContact CD2-CE2 4.29Å; Y41-Y102 HydrophobicContact CE2-CE2 4.03Å; Y41-Y102 WeakPolarHBondContact CE2-OH 3.02Å; D100-Y102 HydrophobicContact CB-CD2 4.34Å; D100-Y102 HydrophobicContact CB-CE2 3.65Å; Y102-L112 CarbonylContact O-C 3.14Å; Y102-L112 WeakPolarHBondContact O-CA 3.14Å; Y102-L113 PolarHBondContact N-O 3.33Å; Y102-L113 PolarHBondContact O-N 3.31Å; Y102-V115 HydrophobicContact CD2-CG2 4.36Å; Y102-V115 HydrophobicContact CE2-CG2 4.11Å
103	E	97.4	Very high	95.6	Very high	33 Å²	33	52.2 Å²	52.2	15%	0.154	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	109.7	163.3	-179.5	-169.5	105.8	0	0	108.3	I32 K33 K34 R80 C111 L112	I32-E103 HydrophobicContact CG2-CB 3.69Å; K33-E103 PolarHBondContact O-N 2.99Å; K34-E103 HydrophobicContact CD-CB 4.11Å; K34-E103 IonicContact NZ-OE1 3.91Å; K34-E103 PolarHBondContact NZ-OE1 3.44Å; K34-E103 IonicContact NZ-OE2 2.75Å; K34-E103 PolarHBondContact NZ-OE2 3.46Å; R80-E103 IonicContact CZ-OE2 2.81Å; R80-E103 IonicContact NH1-OE2 3.91Å; R80-E103 IonicContact NH2-OE2 2.95Å; R80-E103 PolarHBondContact NH2-OE2 3.01Å; E103-C111 WeakPolarHBondContact CA-O 3.37Å; E103-L112 HydrophobicContact CB-CD2 4.31Å
104	N	96.2	Very high	95.6	Very high	27 Å²	27	49.8 Å²	49.8	14%	0.144	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	167.7	-178.8	-73	176.3	0	0	0	110.5	N35 A36 I37 C111 L113	N35-N104 PolarHBondContact O-ND2 3.29Å; A36-N104 WeakPolarHBondContact CA-OD1 3.44Å; I37-N104 PolarHBondContact N-OD1 3.38Å; N104-C111 PolarHBondContact N-O 2.74Å; N104-C111 VanDerWaalsContact N-O 3.09Å; N104-C111 PolarHBondContact O-N 3.49Å; N104-L113 HydrophobicContact CB-CD1 3.84Å
105	L	94.8	Very high	95.5	Very high	126 Å²	126	49.1 Å²	49.1	66%	0.66	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	126.7	169.4	-68.9	172.4	0	0	0	109.8	K109 K110	L105-K109 CarbonylContact C-O 3.59Å; L105-K109 WeakPolarHBondContact CA-O 3.48Å; L105-K110 HydrophobicContact CD2-CG 3.79Å
106	Y	86.9	Confident	95.5	Very high	120 Å²	120	49.6 Å²	49.6	47%	0.471	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	119.4	171.5	-176.7	-102.8	0	0	0	108.9	M72 G108 K109	M72-Y106 HydrophobicContact CE-CD1 3.71Å; M72-Y106 HydrophobicContact CE-CD2 3.78Å; M72-Y106 HydrophobicContact CE-CE1 4Å; M72-Y106 HydrophobicContact CE-CE2 4.06Å; M72-Y106 HydrophobicContact CE-CG 3.59Å; Y106-G108 PolarHBondContact O-N 3.32Å; Y106-K109 PolarHBondContact N-O 3.03Å; Y106-K109 PolarHBondContact O-N 2.97Å
107	Q	87.9	Confident	95.5	Very high	167 Å²	167	51.3 Å²	51.3	78%	0.78	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	41.2	-176.3	-59.5	179.6	-14.5	0	0	113.1	K109	Q107-K109 VanDerWaalsContact C-N 3.26Å; Q107-K109 PolarHBondContact O-N 3.49Å
108	G	89.9	Confident	95.4	Very high	72 Å²	72	46 Å²	46	74%	0.742	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.4	0.3	-180	0	0	0	0	0	115.6	Y106	Y106-G108 PolarHBondContact O-N 3.32Å
109	K	92.6	Very high	95.3	Very high	125 Å²	125	47.1 Å²	47.1	54%	0.543	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	142.5	176.6	-63.5	-178.4	-179.2	178.2	0	110.9	L105 Y106 Q107 C111	L105-K109 CarbonylContact C-O 3.59Å; L105-K109 WeakPolarHBondContact CA-O 3.48Å; Y106-K109 PolarHBondContact N-O 3.03Å; Y106-K109 PolarHBondContact O-N 2.97Å; Q107-K109 VanDerWaalsContact C-N 3.26Å; Q107-K109 PolarHBondContact O-N 3.49Å; K109-C111 PolarHBondContact O-N 3.46Å
110	K	95.4	Very high	95.2	Very high	125 Å²	125	48.2 Å²	48.2	54%	0.543	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	128.5	170.3	-68.9	-173	177.9	-172.7	0	109.5	D75 L105	D75-K110 HydrophobicContact CB-CB 3.85Å; D75-K110 WeakPolarHBondContact CB-O 3.31Å; D75-K110 PolarHBondContact N-O 2.81Å; L105-K110 HydrophobicContact CD2-CG 3.79Å
111	C	95.1	Very high	95	Very high	12 Å²	12	47.4 Å²	47.4	8%	0.081	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	143.1	-179.5	-69.8	0	0	0	0	110.7	L73 E103 N104 K109 L113	L73-C111 CarbonylContact O-C 3.49Å; L73-C111 WeakPolarHBondContact O-CA 3.15Å; L73-C111 WeakPolarHBondContact O-CB 3.14Å; E103-C111 WeakPolarHBondContact CA-O 3.37Å; N104-C111 PolarHBondContact N-O 2.74Å; N104-C111 VanDerWaalsContact N-O 3.09Å; N104-C111 PolarHBondContact O-N 3.49Å; K109-C111 PolarHBondContact O-N 3.46Å; C111-L113 HydrophobicContact CB-CD2 4.13Å
112	L	95.9	Very high	94.8	Very high	1 Å²	1	49 Å²	49	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	126.1	163.8	-61.8	174.1	0	0	0	108.2	L73 D75 A79 R80 V83 Y102 E103	L73-L112 HydrophobicContact CB-CB 4.46Å; L73-L112 PolarHBondContact N-O 3.04Å; L73-L112 PolarHBondContact O-N 3.48Å; D75-L112 HydrophobicContact CB-CG 4.12Å; A79-L112 HydrophobicContact CB-CD1 4.03Å; R80-L112 HydrophobicContact CG-CD1 3.69Å; V83-L112 HydrophobicContact CG2-CD1 4.21Å; Y102-L112 CarbonylContact O-C 3.14Å; Y102-L112 WeakPolarHBondContact O-CA 3.14Å; E103-L112 HydrophobicContact CB-CD2 4.31Å
113	L	96.3	Very high	94.7	Very high	8 Å²	8	51.5 Å²	51.5	4%	0.042	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	109.1	-178.8	-54.3	-176.6	0	0	0	107.8	I37 L70 M72 V101 Y102 N104 C111	I37-L113 HydrophobicContact CB-CD1 3.93Å; I37-L113 HydrophobicContact CD1-CB 3.97Å; I37-L113 HydrophobicContact CD1-CD1 4.06Å; I37-L113 HydrophobicContact CG2-CD1 3.53Å; L70-L113 HydrophobicContact CD1-CB 3.82Å; M72-L113 HydrophobicContact CB-CD2 4.22Å; M72-L113 HydrophobicContact CE-CD2 3.86Å; M72-L113 HydrophobicContact CG-CD2 3.75Å; M72-L113 HydrophobicContact SD-CD2 4.4Å; V101-L113 CarbonylContact C-O 3.58Å; V101-L113 WeakPolarHBondContact CA-O 3.43Å; Y102-L113 PolarHBondContact N-O 3.33Å; Y102-L113 PolarHBondContact O-N 3.31Å; N104-L113 HydrophobicContact CB-CD1 3.84Å; C111-L113 HydrophobicContact CB-CD2 4.13Å
114	I	96.9	Very high	94.6	Very high	2 Å²	2	50 Å²	50	1%	0.01	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	109.8	-170.6	-49.3	158.7	0	0	0	107.7	L70 K71 L73 V83 I98 M116	L70-I114 WeakPolarHBondContact CA-O 3.29Å; K71-I114 HydrophobicContact CB-CB 4.36Å; K71-I114 HydrophobicContact CB-CD1 4.43Å; K71-I114 HydrophobicContact CD-CD1 4.38Å; K71-I114 PolarHBondContact N-O 3.5Å; K71-I114 PolarHBondContact O-N 2.77Å; L73-I114 HydrophobicContact CD1-CD1 3.65Å; L73-I114 HydrophobicContact CG-CD1 4Å; V83-I114 HydrophobicContact CG2-CD1 3.48Å; V83-I114 VanDerWaalsContact CG2-CD1 3.48Å; V83-I114 HydrophobicContact CG2-CG1 3.77Å; I98-I114 HydrophobicContact CD1-CG2 3.83Å; I98-I114 HydrophobicContact CG1-CG2 3.9Å; I98-I114 HydrophobicContact CG2-CG2 4.03Å; I114-M116 HydrophobicContact CG2-CG 3.89Å; I114-M116 HydrophobicContact CG2-SD 4.3Å
115	V	97.9	Very high	94.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	125.7	174.4	-175.6	0	0	0	0	108.3	I37 Y41 I59 Y68 A69 I99 D100 Y102	I37-V115 HydrophobicContact CD1-CG2 3.96Å; Y41-V115 HydrophobicContact CE1-CG1 3.97Å; Y41-V115 HydrophobicContact CE2-CG2 4.23Å; I59-V115 HydrophobicContact CD1-CB 4.31Å; I59-V115 HydrophobicContact CD1-CG1 3.72Å; I59-V115 HydrophobicContact CD1-CG2 3.77Å; Y68-V115 HydrophobicContact CD1-CG1 4.27Å; Y68-V115 HydrophobicContact CG-CG1 3.97Å; A69-V115 CarbonylContact O-C 3.58Å; A69-V115 WeakPolarHBondContact O-CA 3.31Å; I99-V115 HydrophobicContact CB-CB 4.42Å; I99-V115 HydrophobicContact CB-CG1 4.1Å; I99-V115 PolarHBondContact N-O 2.91Å; D100-V115 HydrophobicContact CB-CB 4.04Å; D100-V115 HydrophobicContact CB-CG2 4.1Å; D100-V115 PolarHBondContact N-O 3.45Å; D100-V115 PolarHBondContact O-N 3.18Å; Y102-V115 HydrophobicContact CD2-CG2 4.36Å; Y102-V115 HydrophobicContact CE2-CG2 4.11Å
116	M	97.8	Very high	94.3	Very high	10 Å²	10	44.6 Å²	44.6	5%	0.049	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	157.4	-176.5	-59.5	176.4	-64.3	0	0	110.3	Y68 A69 K71 V96 R97 I98 I114	Y68-M116 WeakPolarHBondContact CB-O 3.32Å; A69-M116 HydrophobicContact CB-CE 4.44Å; A69-M116 PolarHBondContact N-O 3.26Å; A69-M116 PolarHBondContact O-N 3.31Å; K71-M116 HydrophobicContact CB-CE 3.65Å; V96-M116 HydrophobicContact CG1-CB 3.99Å; V96-M116 HydrophobicContact CG1-SD 4.38Å; R97-M116 VanDerWaalsContact O-CA 3.3Å; R97-M116 WeakPolarHBondContact O-CA 3.42Å; I98-M116 HydrophobicContact CG1-CG 4.37Å; I114-M116 HydrophobicContact CG2-CG 3.89Å; I114-M116 HydrophobicContact CG2-SD 4.3Å
117	E	97.1	Very high	94.6	Very high	37 Å²	37	41 Å²	41	17%	0.173	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	144.7	166.8	69.3	-177.7	131.2	0	0	110.8	V96 R97 M119 K182	V96-E117 WeakPolarHBondContact CA-OE1 3.49Å; V96-E117 HydrophobicContact CG1-CG 3.92Å; R97-E117 HydrophobicContact CB-CG 4.32Å; R97-E117 WeakPolarHBondContact CB-OE1 3.21Å; R97-E117 PolarHBondContact N-OE1 3.4Å; R97-E117 PolarHBondContact O-N 3.21Å; E117-M119 HydrophobicContact CG-SD 4.14Å; E117-K182 IonicContact OE1-NZ 3.62Å; E117-K182 PolarHBondContact OE1-NZ 2.89Å; E117-K182 IonicContact OE2-NZ 2.73Å; E117-K182 PolarHBondContact OE2-NZ 3Å
118	C	96	Very high	94.8	Very high	19 Å²	19	33.1 Å²	33.1	13%	0.128	19%	0.191	C	C	.	.			trans	-83.9	138.7	179.8	-160.8	0	0	0	0	111.3	K67 D120	K67-C118 WeakPolarHBondContact CE-SG 3.42Å; K67-C118 HydrophobicContact CG-CB 4.25Å; C118-D120 PolarHBondContact SG-OD1 3.5Å
119	M	96.3	Very high	94.8	Very high	28 Å²	28	30.9 Å²	30.9	14%	0.138	16%	0.161	C	C	.	.			trans	-110	82.6	-178	-58.7	-56.7	-68.8	0	0	110.1	V96 E117 G121 L171 Y172 S173 K182	V96-M119 HydrophobicContact CG2-CE 4.27Å; V96-M119 HydrophobicContact CG2-CG 3.87Å; V96-M119 HydrophobicContact CG2-SD 3.89Å; E117-M119 HydrophobicContact CG-SD 4.14Å; M119-G121 VanDerWaalsContact C-N 3.32Å; M119-G121 PolarHBondContact O-N 3.34Å; M119-L171 HydrophobicContact CB-CB 3.87Å; M119-L171 HydrophobicContact CB-CD1 3.91Å; M119-L171 HydrophobicContact CE-CB 3.96Å; M119-L171 WeakPolarHBondContact CE-O 3.49Å; M119-L171 HydrophobicContact CG-CB 4.21Å; M119-L171 HydrophobicContact CG-CD1 4.22Å; M119-Y172 CarbonylContact C-O 3.51Å; M119-Y172 VanDerWaalsContact CE-C 3.45Å; M119-S173 VanDerWaalsContact CE-N 3.34Å; M119-K182 HydrophobicContact CE-CB 3.71Å; M119-K182 HydrophobicContact CE-CD 3.91Å; M119-K182 HydrophobicContact CE-CG 3.82Å; M119-K182 HydrophobicContact SD-CD 4.14Å
120	D	94.4	Very high	94.5	Very high	72 Å²	72	31.1 Å²	31.1	39%	0.385	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	0.8	-171.7	-67.1	-44.1	0	0	0	114	K67 C118 S173	K67-D120 WeakPolarHBondContact CE-OD1 3.45Å; K67-D120 WeakPolarHBondContact CE-OD2 3.29Å; K67-D120 IonicContact NZ-OD1 2.67Å; K67-D120 PolarHBondContact NZ-OD1 3.21Å; K67-D120 IonicContact NZ-OD2 3.8Å; C118-D120 PolarHBondContact SG-OD1 3.5Å; D120-S173 PolarHBondContact N-O 3.03Å
121	G	94.8	Very high	93.8	Very high	10 Å²	10	27.8 Å²	27.8	10%	0.103	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-8.8	-177.2	0	0	0	0	0	115.3	M119 Y172 S174	M119-G121 VanDerWaalsContact C-N 3.32Å; M119-G121 PolarHBondContact O-N 3.34Å; G121-Y172 WeakPolarHBondContact CA-O 3.36Å; G121-Y172 PolarHBondContact N-O 2.9Å; G121-S174 VanDerWaalsContact CA-O 3.29Å; G121-S174 WeakPolarHBondContact CA-O 3.49Å
122	G	94	Very high	92.8	Very high	35 Å²	35	28.9 Å²	28.9	36%	0.361	17%	0.166	S	C	.	.			trans	77.9	179.7	-177.8	0	0	0	0	0	113.8	L171 Y172	G122-L171 WeakPolarHBondContact O-CA 3.45Å; G122-Y172 PolarHBondContact O-N 3.36Å
123	E	94.8	Very high	91.7	Very high	53 Å²	53	37 Å²	37	25%	0.248	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-68.3	150.2	178.8	-64.9	173.7	-156.8	0	0	111.9	F125 S126 R127 L171	E123-F125 PolarHBondContact O-N 3.09Å; E123-S126 PolarHBondContact O-N 2.91Å; E123-R127 PolarHBondContact O-N 2.99Å; E123-L171 HydrophobicContact CB-CD2 4.35Å; E123-L171 HydrophobicContact CG-CD2 3.71Å
124	L	95.6	Very high	91.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-50	-52.4	179.8	173	58.2	0	0	0	112.8	R127 I128 I144 I148 L170 Y172 L181 L234	L124-R127 WeakPolarHBondContact O-CB 3.38Å; L124-R127 PolarHBondContact O-N 3.29Å; L124-I128 HydrophobicContact CD1-CD1 4.26Å; L124-I128 HydrophobicContact CG-CD1 4.45Å; L124-I128 PolarHBondContact O-N 3.26Å; L124-I144 HydrophobicContact CD1-CD1 3.98Å; L124-I144 HydrophobicContact CD1-CG1 4.25Å; L124-I144 HydrophobicContact CD1-CG2 3.85Å; L124-I144 HydrophobicContact CD2-CG2 3.78Å; L124-I144 HydrophobicContact CG-CG2 4.46Å; L124-I148 HydrophobicContact CD2-CD1 4.25Å; L124-L170 HydrophobicContact CB-CB 4.07Å; L124-L170 HydrophobicContact CD2-CB 4.4Å; L124-L170 HydrophobicContact CD2-CD1 3.95Å; L124-L170 PolarHBondContact N-O 3.11Å; L124-Y172 HydrophobicContact CD1-CE2 3.66Å; L124-Y172 WeakPolarHBondContact CD1-OH 3.5Å; L124-L181 HydrophobicContact CB-CD1 4.15Å; L124-L181 HydrophobicContact CD1-CD1 4.21Å; L124-L181 HydrophobicContact CD1-CD2 4.19Å; L124-L181 HydrophobicContact CD2-CD2 4.25Å; L124-L234 HydrophobicContact CD2-CD2 4.35Å
125	F	93.4	Very high	90.6	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.009	26%	0.255	C	S	.	.	H	α-helix	trans	-76.3	-35	-173.4	-73.4	-81.1	0	0	0	112.7	E123 R127 I128 Q129 P167 I230 I233 L234 L320 W327	E123-F125 PolarHBondContact O-N 3.09Å; F125-R127 PolarHBondContact O-N 2.98Å; F125-I128 HydrophobicContact CD1-CD1 4.38Å; F125-I128 PolarHBondContact O-N 3.03Å; F125-I128 VanDerWaalsContact O-N 3.1Å; F125-Q129 WeakPolarHBondContact O-CB 3.4Å; F125-Q129 PolarHBondContact O-N 3.36Å; F125-P167 HydrophobicContact CD2-CB 3.68Å; F125-P167 HydrophobicContact CD2-CG 3.94Å; F125-P167 HydrophobicContact CE2-CB 3.97Å; F125-P167 HydrophobicContact CE2-CG 3.76Å; F125-I230 HydrophobicContact CE2-CG2 4.42Å; F125-I230 HydrophobicContact CZ-CG2 4.25Å; F125-I233 HydrophobicContact CD1-CG2 4.03Å; F125-I233 HydrophobicContact CE1-CB 3.96Å; F125-I233 HydrophobicContact CE1-CG2 3.33Å; F125-I233 HydrophobicContact CZ-CB 3.93Å; F125-I233 HydrophobicContact CZ-CG2 3.7Å; F125-L234 HydrophobicContact CE1-CD2 3.81Å; F125-L234 HydrophobicContact CE1-CG 4.11Å; F125-L234 HydrophobicContact CZ-CD2 4.03Å; F125-L234 HydrophobicContact CZ-CG 4.02Å; F125-L320 HydrophobicContact CD1-CD1 3.85Å; F125-L320 HydrophobicContact CD1-CD2 4.45Å; F125-W327 HydrophobicContact CB-CH2 3.97Å; F125-W327 HydrophobicContact CB-CZ2 3.42Å; F125-W327 VanDerWaalsContact CB-CZ2 3.42Å; F125-W327 AromaticContact CD1-CH2 3.81Å; F125-W327 HydrophobicContact CD1-CH2 3.81Å; F125-W327 HydrophobicContact CD1-CZ2 4.17Å; F125-W327 AromaticContact CD2-CH2 3.76Å; F125-W327 HydrophobicContact CD2-CH2 3.76Å; F125-W327 AromaticContact CD2-CZ2 3.67Å; F125-W327 HydrophobicContact CD2-CZ2 3.67Å; F125-W327 HydrophobicContact CE1-CH2 4.22Å; F125-W327 HydrophobicContact CE2-CH2 4.14Å; F125-W327 HydrophobicContact CE2-CZ2 4.45Å; F125-W327 AromaticContact CG-CH2 3.55Å; F125-W327 HydrophobicContact CG-CH2 3.55Å; F125-W327 AromaticContact CG-CZ2 3.47Å; F125-W327 HydrophobicContact CG-CZ2 3.47Å; F125-W327 VanDerWaalsContact CG-CZ2 3.47Å; F125-W327 HydrophobicContact CZ-CH2 4.35Å
126	S	91.9	Very high	90.4	Very high	38 Å²	38	45.1 Å²	45.1	27%	0.266	26%	0.255	S	S	.	.	H	α-helix	trans	-58.1	-40.4	170	-52.9	0	0	0	0	111.1	E123 I128 Q129 D130	E123-S126 PolarHBondContact O-N 2.91Å; S126-I128 VanDerWaalsContact C-N 3.31Å; S126-I128 PolarHBondContact O-N 2.74Å; S126-Q129 WeakPolarHBondContact O-CB 3.26Å; S126-Q129 PolarHBondContact O-N 3.12Å; S126-D130 WeakPolarHBondContact O-CB 3.23Å; S126-D130 VanDerWaalsContact O-CG 3.27Å; S126-D130 PolarHBondContact O-N 3.33Å
127	R	92.1	Very high	90.3	Very high	46 Å²	46	45.3 Å²	45.3	17%	0.174	26%	0.257	C	S	.	.	H	α-helix	trans	-65.7	-32.6	177.1	-164.3	-176.1	-177.4	176.7	5.4	113	E123 L124 F125 R131 Y172 R176	E123-R127 PolarHBondContact O-N 2.99Å; L124-R127 WeakPolarHBondContact O-CB 3.38Å; L124-R127 PolarHBondContact O-N 3.29Å; F125-R127 PolarHBondContact O-N 2.98Å; R127-R131 VanDerWaalsContact O-CG 3.25Å; R127-R131 WeakPolarHBondContact O-CG 3.41Å; R127-Y172 HydrophobicContact CB-CD2 4.06Å; R127-Y172 HydrophobicContact CB-CE2 4.01Å; R127-Y172 HydrophobicContact CG-CD2 4.3Å; R127-Y172 HydrophobicContact CG-CE2 4.27Å; R127-Y172 VanDerWaalsContact NH1-CG 3.29Å; R127-R176 PolarHBondContact NH2-O 2.88Å
128	I	92.5	Very high	90.3	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-72.3	-43.3	175.2	-65.3	168.7	0	0	0	109.9	L124 F125 S126 D130 R131 F136 I144 L234 T316 S317 L320	L124-I128 HydrophobicContact CD1-CD1 4.26Å; L124-I128 HydrophobicContact CG-CD1 4.45Å; L124-I128 PolarHBondContact O-N 3.26Å; F125-I128 HydrophobicContact CD1-CD1 4.38Å; F125-I128 PolarHBondContact O-N 3.03Å; F125-I128 VanDerWaalsContact O-N 3.1Å; S126-I128 VanDerWaalsContact C-N 3.31Å; S126-I128 PolarHBondContact O-N 2.74Å; I128-D130 VanDerWaalsContact C-N 3.3Å; I128-D130 PolarHBondContact O-N 2.97Å; I128-R131 WeakPolarHBondContact O-CB 3.1Å; I128-R131 WeakPolarHBondContact O-CG 3.28Å; I128-R131 PolarHBondContact O-N 2.94Å; I128-F136 HydrophobicContact CD1-CE1 4.17Å; I128-F136 HydrophobicContact CD1-CE2 4.14Å; I128-F136 HydrophobicContact CD1-CZ 3.85Å; I128-F136 HydrophobicContact CG1-CD2 4.46Å; I128-F136 HydrophobicContact CG1-CE2 4.25Å; I128-F136 HydrophobicContact CG1-CZ 4.45Å; I128-F136 HydrophobicContact CG2-CB 4.38Å; I128-F136 HydrophobicContact CG2-CD1 4.2Å; I128-F136 HydrophobicContact CG2-CD2 4.45Å; I128-F136 HydrophobicContact CG2-CG 4.09Å; I128-I144 HydrophobicContact CD1-CD1 4.39Å; I128-L234 HydrophobicContact CD1-CD2 3.41Å; I128-L234 VanDerWaalsContact CD1-CD2 3.41Å; I128-T316 HydrophobicContact CG2-CG2 4.08Å; I128-S317 WeakPolarHBondContact CG2-OG 3.43Å; I128-S317 PolarHBondContact O-OG 3.21Å; I128-L320 HydrophobicContact CB-CD1 4.41Å; I128-L320 HydrophobicContact CG2-CD1 4.1Å
129	Q	89.4	Confident	90.3	Very high	25 Å²	25	44.3 Å²	44.3	12%	0.117	25%	0.25	C	S	.	.	H	α-helix	trans	-59.6	-38.8	176.4	-171.1	179.7	3	0	0	112	F125 S126 R131 L320 K321	F125-Q129 WeakPolarHBondContact O-CB 3.4Å; F125-Q129 PolarHBondContact O-N 3.36Å; S126-Q129 WeakPolarHBondContact O-CB 3.26Å; S126-Q129 PolarHBondContact O-N 3.12Å; Q129-R131 VanDerWaalsContact C-N 3.27Å; Q129-R131 PolarHBondContact O-N 3.43Å; Q129-L320 HydrophobicContact CB-CB 4.37Å; Q129-L320 HydrophobicContact CG-CB 4.41Å; Q129-L320 PolarHBondContact NE2-O 3.33Å; Q129-K321 HydrophobicContact CG-CG 3.74Å; Q129-K321 WeakPolarHBondContact O-CE 3.47Å
130	D	87.2	Confident	90.2	Very high	130 Å²	130	45.2 Å²	45.2	70%	0.695	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	2.9	-176.1	-70.6	-18.6	0	0	0	114.7	S126 I128 G132	S126-D130 WeakPolarHBondContact O-CB 3.23Å; S126-D130 VanDerWaalsContact O-CG 3.27Å; S126-D130 PolarHBondContact O-N 3.33Å; I128-D130 VanDerWaalsContact C-N 3.3Å; I128-D130 PolarHBondContact O-N 2.97Å; D130-G132 PolarHBondContact O-N 2.62Å
131	R	79.9	Confident	90.3	Very high	54 Å²	54	41.8 Å²	41.8	20%	0.204	24%	0.236	C	C	.	.			trans	-70	3.5	-174.3	-70	179.7	170	-133.3	4	116	R127 I128 Q129 D133 Q134 E140	R127-R131 VanDerWaalsContact O-CG 3.25Å; R127-R131 WeakPolarHBondContact O-CG 3.41Å; I128-R131 WeakPolarHBondContact O-CB 3.1Å; I128-R131 WeakPolarHBondContact O-CG 3.28Å; I128-R131 PolarHBondContact O-N 2.94Å; Q129-R131 VanDerWaalsContact C-N 3.27Å; Q129-R131 PolarHBondContact O-N 3.43Å; R131-D133 PolarHBondContact O-N 3.38Å; R131-Q134 PolarHBondContact O-N 2.8Å; R131-E140 IonicContact CZ-OE1 2.69Å; R131-E140 IonicContact NH1-OE1 3.99Å; R131-E140 PolarHBondContact NH1-OE1 2.95Å; R131-E140 IonicContact NH1-OE2 2.79Å; R131-E140 IonicContact NH2-OE1 2.72Å
132	G	74.9	Confident	90.4	Very high	36 Å²	36	41.3 Å²	41.3	37%	0.371	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	-129.3	-176.6	0	0	0	0	0	111	D130 K321	D130-G132 PolarHBondContact O-N 2.62Å; G132-K321 PolarHBondContact O-NZ 3.33Å
133	D	72.2	Confident	90.5	Very high	171 Å²	171	42.5 Å²	42.5	91%	0.914	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.5	2.3	-178.4	-56.8	-36.2	0	0	0	113.5	R131 A135	R131-D133 PolarHBondContact O-N 3.38Å; D133-A135 PolarHBondContact O-N 2.97Å
134	Q	83.2	Confident	90.7	Very high	129 Å²	129	40.4 Å²	40.4	60%	0.603	22%	0.22	S	C	*	.	P	Polyproline II helix	trans	-71.6	121.4	176.4	-172.4	177.6	-5.1	0	0	109.8	R131 F136	R131-Q134 PolarHBondContact O-N 2.8Å; Q134-F136 PolarHBondContact O-N 2.92Å
135	A	86.8	Confident	90.8	Very high	51 Å²	51	40.4 Å²	40.4	42%	0.421	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-57.8	135.1	175.6	0	0	0	0	0	110.9	D133 P313	D133-A135 PolarHBondContact O-N 2.97Å; A135-P313 HydrophobicContact CB-CB 4.11Å
136	F	94.5	Very high	91	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	128.7	165.7	-179.6	-116.5	0	0	0	108	I128 Q134 E140 A141 I144 L234 L314 T316 S317	I128-F136 HydrophobicContact CD1-CE1 4.17Å; I128-F136 HydrophobicContact CD1-CE2 4.14Å; I128-F136 HydrophobicContact CD1-CZ 3.85Å; I128-F136 HydrophobicContact CG1-CD2 4.46Å; I128-F136 HydrophobicContact CG1-CE2 4.25Å; I128-F136 HydrophobicContact CG1-CZ 4.45Å; I128-F136 HydrophobicContact CG2-CB 4.38Å; I128-F136 HydrophobicContact CG2-CD1 4.2Å; I128-F136 HydrophobicContact CG2-CD2 4.45Å; I128-F136 HydrophobicContact CG2-CG 4.09Å; Q134-F136 PolarHBondContact O-N 2.92Å; F136-E140 WeakPolarHBondContact CA-OE2 3.28Å; F136-E140 HydrophobicContact CD2-CB 3.96Å; F136-E140 HydrophobicContact CE2-CB 3.58Å; F136-E140 HydrophobicContact CZ-CB 4.36Å; F136-A141 HydrophobicContact CE1-CB 4.01Å; F136-A141 HydrophobicContact CZ-CB 3.92Å; F136-I144 HydrophobicContact CE2-CD1 3.64Å; F136-I144 HydrophobicContact CZ-CD1 3.7Å; F136-L234 HydrophobicContact CE1-CD2 4.28Å; F136-L234 VanDerWaalsContact CE1-O 3.3Å; F136-L234 WeakPolarHBondContact CE1-O 3.21Å; F136-L234 HydrophobicContact CZ-CD2 4.07Å; F136-L314 HydrophobicContact CD1-CB 4.36Å; F136-L314 HydrophobicContact CD1-CD1 3.75Å; F136-L314 HydrophobicContact CE1-CD1 3.84Å; F136-L314 WeakPolarHBondContact O-CB 3.36Å; F136-L314 PolarHBondContact O-N 2.82Å; F136-T316 HydrophobicContact CD1-CG2 4.07Å; F136-T316 HydrophobicContact CE1-CG2 4.26Å; F136-S317 VanDerWaalsContact CB-OG 3.32Å; F136-S317 WeakPolarHBondContact CB-OG 3.43Å
137	T	95.8	Very high	91.3	Very high	15 Å²	15	42.9 Å²	42.9	9%	0.092	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	160.8	-170	61.3	0	0	0	0	113.2	K139 E140 A141 Q311 T312	T137-K139 VanDerWaalsContact C-N 3.28Å; T137-K139 PolarHBondContact O-N 3.46Å; T137-E140 PolarHBondContact N-OE2 3.07Å; T137-E140 PolarHBondContact O-N 3.14Å; T137-E140 VanDerWaalsContact O-N 3.12Å; T137-E140 VanDerWaalsContact OG1-CG 3.31Å; T137-E140 WeakPolarHBondContact OG1-CG 3.45Å; T137-E140 PolarHBondContact OG1-N 3.38Å; T137-E140 PolarHBondContact OG1-OE2 2.76Å; T137-E140 VanDerWaalsContact OG1-OE2 3.12Å; T137-A141 PolarHBondContact O-N 3.09Å; T137-Q311 WeakPolarHBondContact CG2-O 3.33Å; T137-T312 CarbonylContact C-O 3.59Å; T137-T312 VanDerWaalsContact CA-O 3.28Å; T137-T312 WeakPolarHBondContact CA-O 3.18Å
138	E	96.3	Very high	91.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-58.8	-37.9	174.4	-171.1	177.6	149.9	0	0	112.4	E140 A141 S142 L235 S273 W302 V309 T312 L314	E138-E140 VanDerWaalsContact C-N 3.35Å; E138-E140 PolarHBondContact O-N 3.48Å; E138-A141 WeakPolarHBondContact O-CB 3.39Å; E138-A141 PolarHBondContact O-N 3.24Å; E138-S142 PolarHBondContact O-N 3.28Å; E138-L235 HydrophobicContact CG-CD2 4.03Å; E138-S273 WeakPolarHBondContact OE1-CB 3.32Å; E138-S273 PolarHBondContact OE1-OG 3.32Å; E138-S273 PolarHBondContact OE2-N 2.86Å; E138-W302 HydrophobicContact CG-CZ2 3.93Å; E138-W302 PolarHBondContact OE1-NE1 2.89Å; E138-V309 HydrophobicContact CG-CG1 4.08Å; E138-T312 PolarHBondContact N-O 3.36Å; E138-L314 HydrophobicContact CB-CD2 4.3Å
139	K	95.5	Very high	91.9	Very high	34 Å²	34	40.8 Å²	40.8	15%	0.148	22%	0.222	C	C	.	.	H	α-helix	trans	-57.8	-45.5	172.7	-178.2	70.4	178.1	82.4	0	112.4	T137 A141 S142 D143 Q305 V309 P310 Q311	T137-K139 VanDerWaalsContact C-N 3.28Å; T137-K139 PolarHBondContact O-N 3.46Å; K139-A141 VanDerWaalsContact C-N 3.33Å; K139-S142 WeakPolarHBondContact O-CB 3.46Å; K139-S142 PolarHBondContact O-N 3.11Å; K139-D143 IonicContact NZ-OD1 3.51Å; K139-D143 PolarHBondContact NZ-OD1 3.4Å; K139-D143 IonicContact NZ-OD2 3.55Å; K139-D143 PolarHBondContact NZ-OD2 3.4Å; K139-D143 PolarHBondContact O-N 3.39Å; K139-Q305 VanDerWaalsContact NZ-NE2 3.15Å; K139-V309 HydrophobicContact CB-CG1 4.48Å; K139-V309 HydrophobicContact CD-CB 3.77Å; K139-V309 HydrophobicContact CD-CG1 4.37Å; K139-P310 PolarHBondContact N-O 3Å; K139-Q311 VanDerWaalsContact CB-NE2 3.32Å; K139-Q311 VanDerWaalsContact CG-NE2 3.32Å
140	E	95	Very high	92.3	Very high	47 Å²	47	42.7 Å²	42.7	22%	0.22	23%	0.231	C	C	.	.	H	α-helix	trans	-66.3	-37.4	179	-69.6	175.4	107.7	0	0	111.8	R131 F136 T137 E138 S142 D143 I144	R131-E140 IonicContact CZ-OE1 2.69Å; R131-E140 IonicContact NH1-OE1 3.99Å; R131-E140 PolarHBondContact NH1-OE1 2.95Å; R131-E140 IonicContact NH1-OE2 2.79Å; R131-E140 IonicContact NH2-OE1 2.72Å; F136-E140 WeakPolarHBondContact CA-OE2 3.28Å; F136-E140 HydrophobicContact CD2-CB 3.96Å; F136-E140 HydrophobicContact CE2-CB 3.58Å; F136-E140 HydrophobicContact CZ-CB 4.36Å; T137-E140 PolarHBondContact N-OE2 3.07Å; T137-E140 PolarHBondContact O-N 3.14Å; T137-E140 VanDerWaalsContact O-N 3.12Å; T137-E140 VanDerWaalsContact OG1-CG 3.31Å; T137-E140 WeakPolarHBondContact OG1-CG 3.45Å; T137-E140 PolarHBondContact OG1-N 3.38Å; T137-E140 PolarHBondContact OG1-OE2 2.76Å; T137-E140 VanDerWaalsContact OG1-OE2 3.12Å; E138-E140 VanDerWaalsContact C-N 3.35Å; E138-E140 PolarHBondContact O-N 3.48Å; E140-S142 VanDerWaalsContact C-N 3.31Å; E140-S142 PolarHBondContact O-N 3.07Å; E140-D143 PolarHBondContact O-N 2.98Å; E140-I144 WeakPolarHBondContact O-CD1 3.44Å; E140-I144 WeakPolarHBondContact O-CG1 3.43Å; E140-I144 PolarHBondContact O-N 2.83Å
141	A	97	Very high	92.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60.2	-41.9	171.9	0	0	0	0	0	111.4	F136 T137 E138 K139 I144 M145 L234 L235 W302 L314	F136-A141 HydrophobicContact CE1-CB 4.01Å; F136-A141 HydrophobicContact CZ-CB 3.92Å; T137-A141 PolarHBondContact O-N 3.09Å; E138-A141 WeakPolarHBondContact O-CB 3.39Å; E138-A141 PolarHBondContact O-N 3.24Å; K139-A141 VanDerWaalsContact C-N 3.33Å; A141-I144 PolarHBondContact O-N 2.85Å; A141-M145 WeakPolarHBondContact O-CB 3.4Å; A141-M145 VanDerWaalsContact O-CG 3.31Å; A141-M145 WeakPolarHBondContact O-CG 3.31Å; A141-M145 PolarHBondContact O-N 2.91Å; A141-L234 HydrophobicContact CB-CB 4.24Å; A141-L235 HydrophobicContact CB-CD2 3.96Å; A141-W302 HydrophobicContact CB-CH2 4.27Å; A141-W302 HydrophobicContact CB-CZ2 4.49Å; A141-L314 HydrophobicContact CB-CD1 4.14Å
142	S	97.6	Very high	93.7	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.4	-45.4	173.8	166.3	0	0	0	0	112.6	E138 K139 E140 I144 M145 K146 W302	E138-S142 PolarHBondContact O-N 3.28Å; K139-S142 WeakPolarHBondContact O-CB 3.46Å; K139-S142 PolarHBondContact O-N 3.11Å; E140-S142 VanDerWaalsContact C-N 3.31Å; E140-S142 PolarHBondContact O-N 3.07Å; S142-I144 VanDerWaalsContact C-N 3.34Å; S142-I144 PolarHBondContact O-N 3.28Å; S142-M145 PolarHBondContact O-N 3.14Å; S142-K146 WeakPolarHBondContact O-CB 3.39Å; S142-K146 PolarHBondContact O-N 2.91Å; S142-W302 WeakPolarHBondContact CB-O 3.25Å; S142-W302 PolarHBondContact OG-O 3.43Å
143	D	96	Very high	94.9	Very high	60 Å²	60	35.9 Å²	35.9	32%	0.321	19%	0.188	S	C	.	.	H	α-helix	trans	-63.2	-38.9	178.3	-72.4	-38.9	0	0	0	112.6	K139 E140 S147 Q305	K139-D143 IonicContact NZ-OD1 3.51Å; K139-D143 PolarHBondContact NZ-OD1 3.4Å; K139-D143 IonicContact NZ-OD2 3.55Å; K139-D143 PolarHBondContact NZ-OD2 3.4Å; K139-D143 PolarHBondContact O-N 3.39Å; E140-D143 PolarHBondContact O-N 2.98Å; D143-S147 PolarHBondContact O-N 3.41Å; D143-S147 VanDerWaalsContact O-N 3.11Å; D143-S147 PolarHBondContact O-OG 3.31Å; D143-Q305 PolarHBondContact OD1-NE2 3.26Å
144	I	97.4	Very high	96.1	Very high	10 Å²	10	30.8 Å²	30.8	5%	0.051	16%	0.157	C	C	.	.	H	α-helix	trans	-63.4	-50.5	172.6	-73.6	161.1	0	0	0	110.4	L124 I128 F136 E140 A141 S142 K146 S147 I148 L181 L234	L124-I144 HydrophobicContact CD1-CD1 3.98Å; L124-I144 HydrophobicContact CD1-CG1 4.25Å; L124-I144 HydrophobicContact CD1-CG2 3.85Å; L124-I144 HydrophobicContact CD2-CG2 3.78Å; L124-I144 HydrophobicContact CG-CG2 4.46Å; I128-I144 HydrophobicContact CD1-CD1 4.39Å; F136-I144 HydrophobicContact CE2-CD1 3.64Å; F136-I144 HydrophobicContact CZ-CD1 3.7Å; E140-I144 WeakPolarHBondContact O-CD1 3.44Å; E140-I144 WeakPolarHBondContact O-CG1 3.43Å; E140-I144 PolarHBondContact O-N 2.83Å; A141-I144 PolarHBondContact O-N 2.85Å; S142-I144 VanDerWaalsContact C-N 3.34Å; S142-I144 PolarHBondContact O-N 3.28Å; I144-K146 VanDerWaalsContact C-N 3.29Å; I144-K146 PolarHBondContact O-N 2.97Å; I144-S147 WeakPolarHBondContact O-CB 3.43Å; I144-S147 PolarHBondContact O-N 3.25Å; I144-S147 VanDerWaalsContact O-N 3.08Å; I144-I148 HydrophobicContact CG2-CD1 3.97Å; I144-I148 WeakPolarHBondContact O-CG1 3.47Å; I144-I148 PolarHBondContact O-N 2.67Å; I144-L181 HydrophobicContact CG2-CD2 3.94Å; I144-L234 HydrophobicContact CB-CD1 4.36Å; I144-L234 HydrophobicContact CD1-CD2 4.42Å; I144-L234 HydrophobicContact CG2-CD1 3.63Å; I144-L234 HydrophobicContact CG2-CD2 4.31Å
145	M	98.3	Very high	96.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62.4	-36.2	-179	-77.2	-53.7	-56	0	0	112.6	A141 S142 I148 G149 L227 I230 M231 L234 F297 W302 I303	A141-M145 WeakPolarHBondContact O-CB 3.4Å; A141-M145 VanDerWaalsContact O-CG 3.31Å; A141-M145 WeakPolarHBondContact O-CG 3.31Å; A141-M145 PolarHBondContact O-N 2.91Å; S142-M145 PolarHBondContact O-N 3.14Å; M145-I148 PolarHBondContact O-N 3.4Å; M145-I148 HydrophobicContact SD-CD1 4.15Å; M145-G149 PolarHBondContact O-N 3.39Å; M145-L227 HydrophobicContact CE-CB 3.98Å; M145-L227 HydrophobicContact CE-CD2 3.8Å; M145-L227 HydrophobicContact CE-CG 4.45Å; M145-L227 WeakPolarHBondContact CE-O 3.37Å; M145-I230 HydrophobicContact SD-CG2 4Å; M145-M231 HydrophobicContact CE-CB 3.87Å; M145-M231 HydrophobicContact CG-CB 4.22Å; M145-M231 HydrophobicContact CG-CG 4.17Å; M145-M231 HydrophobicContact SD-CB 3.83Å; M145-M231 HydrophobicContact SD-CG 4.43Å; M145-L234 HydrophobicContact CG-CD1 3.83Å; M145-L234 HydrophobicContact SD-CD1 3.61Å; M145-F297 HydrophobicContact CB-CZ 4.25Å; M145-F297 HydrophobicContact CE-CE2 4.12Å; M145-F297 HydrophobicContact CE-CZ 3.72Å; M145-W302 HydrophobicContact CB-CH2 4.48Å; M145-W302 HydrophobicContact CB-CZ3 3.91Å; M145-W302 HydrophobicContact CG-CH2 4.26Å; M145-W302 HydrophobicContact CG-CZ3 4.02Å; M145-I303 HydrophobicContact CB-CD1 3.83Å
146	K	98	Very high	97.2	Very high	59 Å²	59	22.8 Å²	22.8	26%	0.257	11%	0.111	S	C	.	.	H	α-helix	trans	-61.6	-46	171.5	-176.4	-179.7	179.3	174.3	0	111.5	S142 I144 I148 G149 E150 M298 I303	S142-K146 WeakPolarHBondContact O-CB 3.39Å; S142-K146 PolarHBondContact O-N 2.91Å; I144-K146 VanDerWaalsContact C-N 3.29Å; I144-K146 PolarHBondContact O-N 2.97Å; K146-I148 VanDerWaalsContact C-N 3.32Å; K146-I148 PolarHBondContact O-N 3.18Å; K146-G149 CarbonylContact O-C 3.57Å; K146-G149 WeakPolarHBondContact O-CA 3.32Å; K146-G149 PolarHBondContact O-N 2.87Å; K146-G149 VanDerWaalsContact O-N 3.11Å; K146-E150 WeakPolarHBondContact CE-OE1 3.1Å; K146-E150 WeakPolarHBondContact O-CG 3.45Å; K146-E150 PolarHBondContact O-N 3.45Å; K146-M298 HydrophobicContact CG-CE 4.29Å; K146-I303 HydrophobicContact CB-CG2 4.2Å; K146-I303 HydrophobicContact CG-CG2 4.29Å
147	S	97.6	Very high	97.3	Very high	32 Å²	32	26.6 Å²	26.6	22%	0.224	14%	0.142	C	C	.	.	H	α-helix	trans	-60.8	-39.9	178.5	-59.9	0	0	0	0	112.5	N94 D143 I144 A151	N94-S147 WeakPolarHBondContact CB-O 3.22Å; N94-S147 PolarHBondContact ND2-O 3.34Å; D143-S147 PolarHBondContact O-N 3.41Å; D143-S147 VanDerWaalsContact O-N 3.11Å; D143-S147 PolarHBondContact O-OG 3.31Å; I144-S147 WeakPolarHBondContact O-CB 3.43Å; I144-S147 PolarHBondContact O-N 3.25Å; I144-S147 VanDerWaalsContact O-N 3.08Å; S147-A151 PolarHBondContact O-N 3.33Å
148	I	98.6	Very high	97.2	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.015	15%	0.152	C	C	.	.	H	α-helix	trans	-69.1	-43.1	174.3	-54.4	166.1	0	0	0	109.6	L124 I144 M145 K146 E150 A151 I152 V165 L170 L181 L227 I230	L124-I148 HydrophobicContact CD2-CD1 4.25Å; I144-I148 HydrophobicContact CG2-CD1 3.97Å; I144-I148 WeakPolarHBondContact O-CG1 3.47Å; I144-I148 PolarHBondContact O-N 2.67Å; M145-I148 PolarHBondContact O-N 3.4Å; M145-I148 HydrophobicContact SD-CD1 4.15Å; K146-I148 VanDerWaalsContact C-N 3.32Å; K146-I148 PolarHBondContact O-N 3.18Å; I148-E150 VanDerWaalsContact C-N 3.32Å; I148-E150 PolarHBondContact O-N 2.98Å; I148-A151 WeakPolarHBondContact O-CB 3.3Å; I148-A151 PolarHBondContact O-N 3.05Å; I148-A151 VanDerWaalsContact O-N 3.14Å; I148-I152 HydrophobicContact CG2-CG1 4.48Å; I148-I152 WeakPolarHBondContact O-CG1 3.17Å; I148-I152 PolarHBondContact O-N 2.78Å; I148-V165 HydrophobicContact CG2-CG1 4.36Å; I148-L170 HydrophobicContact CD1-CD1 3.7Å; I148-L170 HydrophobicContact CD1-CD2 4.45Å; I148-L170 HydrophobicContact CG1-CD1 4.25Å; I148-L170 HydrophobicContact CG1-CD2 4.08Å; I148-L170 HydrophobicContact CG2-CD2 4.21Å; I148-L181 HydrophobicContact CD1-CD2 4.2Å; I148-L181 HydrophobicContact CG1-CD2 3.72Å; I148-L227 HydrophobicContact CB-CD2 4.1Å; I148-L227 HydrophobicContact CG2-CD2 3.44Å; I148-L227 VanDerWaalsContact CG2-CD2 3.44Å; I148-I230 HydrophobicContact CD1-CG2 3.94Å
149	G	98.4	Very high	97	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-57.3	-40.2	176.3	0	0	0	0	0	113.5	M145 K146 A151 I152 Q153 M298	M145-G149 PolarHBondContact O-N 3.39Å; K146-G149 CarbonylContact O-C 3.57Å; K146-G149 WeakPolarHBondContact O-CA 3.32Å; K146-G149 PolarHBondContact O-N 2.87Å; K146-G149 VanDerWaalsContact O-N 3.11Å; G149-A151 VanDerWaalsContact C-N 3.34Å; G149-A151 PolarHBondContact O-N 3.37Å; G149-I152 PolarHBondContact O-N 2.83Å; G149-Q153 WeakPolarHBondContact O-CB 3.43Å; G149-Q153 PolarHBondContact O-N 2.98Å; G149-M298 VanDerWaalsContact C-SD 3.58Å
150	E	98.5	Very high	97	Very high	66 Å²	66	29.6 Å²	29.6	31%	0.308	16%	0.159	S	C	.	.	H	α-helix	trans	-61.5	-40.1	175.3	-73.9	169.2	175	0	0	111.9	N94 K146 I148 F154 M298	N94-E150 PolarHBondContact OD1-OE2 2.92Å; K146-E150 WeakPolarHBondContact CE-OE1 3.1Å; K146-E150 WeakPolarHBondContact O-CG 3.45Å; K146-E150 PolarHBondContact O-N 3.45Å; I148-E150 VanDerWaalsContact C-N 3.32Å; I148-E150 PolarHBondContact O-N 2.98Å; E150-F154 WeakPolarHBondContact O-CB 3.25Å; E150-F154 PolarHBondContact O-N 2.92Å; E150-F154 VanDerWaalsContact O-N 3.07Å; E150-M298 HydrophobicContact CG-CE 3.75Å
151	A	98.6	Very high	96.9	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.008	15%	0.149	C	C	.	.	H	α-helix	trans	-63.6	-48.6	173.9	0	0	0	0	0	111.6	N94 I95 S147 I148 G149 F154 L155 L183	N94-A151 HydrophobicContact CB-CB 3.87Å; I95-A151 HydrophobicContact CD1-CB 4.42Å; I95-A151 HydrophobicContact CG1-CB 3.95Å; S147-A151 PolarHBondContact O-N 3.33Å; I148-A151 WeakPolarHBondContact O-CB 3.3Å; I148-A151 PolarHBondContact O-N 3.05Å; I148-A151 VanDerWaalsContact O-N 3.14Å; G149-A151 VanDerWaalsContact C-N 3.34Å; G149-A151 PolarHBondContact O-N 3.37Å; A151-F154 PolarHBondContact O-N 2.92Å; A151-L155 WeakPolarHBondContact O-CG 3.42Å; A151-L155 PolarHBondContact O-N 3.47Å; A151-L155 VanDerWaalsContact O-N 3.08Å; A151-L183 HydrophobicContact CB-CB 4.27Å; A151-L183 HydrophobicContact CB-CD2 4.42Å
152	I	98.6	Very high	96.9	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-67.5	-39.1	-178.9	-57.8	-50.7	0	0	0	111.5	I148 G149 F154 L155 H156 V165 L183 D223 M224 L227 I294	I148-I152 HydrophobicContact CG2-CG1 4.48Å; I148-I152 WeakPolarHBondContact O-CG1 3.17Å; I148-I152 PolarHBondContact O-N 2.78Å; G149-I152 PolarHBondContact O-N 2.83Å; I152-F154 VanDerWaalsContact C-N 3.32Å; I152-F154 PolarHBondContact O-N 3.1Å; I152-L155 HydrophobicContact CD1-CD1 4.45Å; I152-L155 PolarHBondContact O-N 2.89Å; I152-H156 WeakPolarHBondContact CG2-NE2 3.35Å; I152-H156 WeakPolarHBondContact O-CB 3.36Å; I152-H156 PolarHBondContact O-CD2 2.99Å; I152-H156 PolarHBondContact O-N 2.89Å; I152-V165 HydrophobicContact CD1-CG2 3.57Å; I152-L183 HydrophobicContact CD1-CD2 3.88Å; I152-D223 HydrophobicContact CD1-CB 4.44Å; I152-D223 HydrophobicContact CG2-CB 3.97Å; I152-M224 HydrophobicContact CG2-SD 4.46Å; I152-L227 HydrophobicContact CG1-CD2 4.38Å; I152-I294 HydrophobicContact CB-CD1 3.96Å; I152-I294 HydrophobicContact CB-CG1 4.29Å; I152-I294 HydrophobicContact CG2-CB 4.46Å; I152-I294 HydrophobicContact CG2-CD1 3.93Å; I152-I294 HydrophobicContact CG2-CG1 4.03Å
153	Q	98.4	Very high	96.6	Very high	76 Å²	76	28.7 Å²	28.7	36%	0.355	15%	0.153	S	C	.	.	H	α-helix	trans	-60.7	-45.2	176.8	-174.8	-176.5	54.8	0	0	110.4	G149 H156 A157 I294 M298	G149-Q153 WeakPolarHBondContact O-CB 3.43Å; G149-Q153 PolarHBondContact O-N 2.98Å; Q153-H156 PolarHBondContact O-N 3.46Å; Q153-A157 VanDerWaalsContact O-CB 3.25Å; Q153-A157 WeakPolarHBondContact O-CB 2.84Å; Q153-A157 PolarHBondContact O-N 3.12Å; Q153-I294 HydrophobicContact CB-CG1 3.76Å; Q153-I294 HydrophobicContact CG-CG1 4.43Å; Q153-M298 HydrophobicContact CB-CG 4.27Å; Q153-M298 HydrophobicContact CG-CG 4.45Å
154	F	98.4	Very high	96.5	Very high	63 Å²	63	25.9 Å²	25.9	28%	0.276	14%	0.138	S	C	.	.	H	α-helix	trans	-58.5	-51.1	176	-174.9	-87.3	0	0	0	111.2	P91 C92 I95 E150 A151 I152 H156 A157 I158	P91-F154 HydrophobicContact CB-CZ 4.04Å; P91-F154 HydrophobicContact CG-CZ 4.47Å; C92-F154 HydrophobicContact CB-CB 4.1Å; C92-F154 HydrophobicContact CB-CD1 3.73Å; C92-F154 HydrophobicContact CB-CD2 3.99Å; C92-F154 HydrophobicContact CB-CE1 4.16Å; C92-F154 HydrophobicContact CB-CE2 4.38Å; C92-F154 HydrophobicContact CB-CG 3.64Å; C92-F154 HydrophobicContact CB-CZ 4.46Å; I95-F154 HydrophobicContact CD1-CD1 4.31Å; E150-F154 WeakPolarHBondContact O-CB 3.25Å; E150-F154 PolarHBondContact O-N 2.92Å; E150-F154 VanDerWaalsContact O-N 3.07Å; A151-F154 PolarHBondContact O-N 2.92Å; I152-F154 VanDerWaalsContact C-N 3.32Å; I152-F154 PolarHBondContact O-N 3.1Å; F154-H156 PolarHBondContact O-N 3.32Å; F154-A157 PolarHBondContact O-N 3.2Å; F154-I158 HydrophobicContact CD1-CD1 4.2Å; F154-I158 HydrophobicContact CE1-CD1 3.7Å; F154-I158 HydrophobicContact CE1-CG1 4.45Å; F154-I158 WeakPolarHBondContact O-CG1 3.38Å; F154-I158 PolarHBondContact O-N 3.42Å
155	L	97.6	Very high	96.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-58.5	-49.2	179.3	-69.4	179.1	0	0	0	111.8	A89 I95 A151 I152 A157 I158 N159 I160 H162 L183 F186	A89-L155 HydrophobicContact CB-CD2 3.54Å; I95-L155 HydrophobicContact CD1-CD1 4.29Å; I95-L155 HydrophobicContact CD1-CD2 3.76Å; I95-L155 HydrophobicContact CD1-CG 3.81Å; A151-L155 WeakPolarHBondContact O-CG 3.42Å; A151-L155 PolarHBondContact O-N 3.47Å; A151-L155 VanDerWaalsContact O-N 3.08Å; I152-L155 HydrophobicContact CD1-CD1 4.45Å; I152-L155 PolarHBondContact O-N 2.89Å; L155-A157 VanDerWaalsContact C-N 3.28Å; L155-A157 PolarHBondContact O-N 3.42Å; L155-I158 CarbonylContact O-C 3.49Å; L155-I158 VanDerWaalsContact O-CG1 3.28Å; L155-I158 WeakPolarHBondContact O-CG1 3.31Å; L155-I158 PolarHBondContact O-N 3.28Å; L155-I158 VanDerWaalsContact O-N 3.14Å; L155-N159 PolarHBondContact O-N 3.47Å; L155-I160 CarbonylContact C-O 3.54Å; L155-I160 HydrophobicContact CB-CB 4.33Å; L155-I160 WeakPolarHBondContact CB-O 3.4Å; L155-I160 HydrophobicContact CD2-CB 4.2Å; L155-I160 HydrophobicContact CD2-CG2 4.07Å; L155-I160 PolarHBondContact O-N 2.99Å; L155-I160 VanDerWaalsContact O-O 3.11Å; L155-H162 HydrophobicContact CD1-CB 3.85Å; L155-L183 HydrophobicContact CD1-CD2 4.02Å; L155-F186 HydrophobicContact CD1-CE1 4.46Å; L155-F186 HydrophobicContact CD1-CZ 4.42Å; L155-F186 HydrophobicContact CD2-CE1 3.72Å; L155-F186 HydrophobicContact CD2-CZ 4Å
156	H	95.6	Very high	96	Very high	13 Å²	13	26 Å²	26	6%	0.06	14%	0.139	C	C	.	.	H	α-helix	trans	-66.1	-31.5	-177.3	-75.7	-160.6	0	0	0	112.4	I152 Q153 F154 I158 N159 I160 K220 D223 I294	I152-H156 WeakPolarHBondContact CG2-NE2 3.35Å; I152-H156 WeakPolarHBondContact O-CB 3.36Å; I152-H156 PolarHBondContact O-CD2 2.99Å; I152-H156 PolarHBondContact O-N 2.89Å; Q153-H156 PolarHBondContact O-N 3.46Å; F154-H156 PolarHBondContact O-N 3.32Å; H156-I158 VanDerWaalsContact C-N 3.33Å; H156-N159 PolarHBondContact O-N 3.47Å; H156-I160 PolarHBondContact CD2-O 3.14Å; H156-I160 PolarHBondContact N-O 3.49Å; H156-K220 HydrophobicContact CB-CD 4.23Å; H156-K220 PolarHBondContact CE1-O 2.9Å; H156-K220 PolarHBondContact O-NZ 3Å; H156-D223 IonicContact CD2-OD2 3.21Å; H156-D223 IonicContact CE1-OD2 3.33Å; H156-D223 IonicContact NE2-OD2 2.71Å; H156-D223 PolarHBondContact NE2-OD2 3.2Å; H156-I294 HydrophobicContact CB-CG2 3.85Å
157	A	95.3	Very high	95.6	Very high	79 Å²	79	23.2 Å²	23.2	65%	0.653	13%	0.127	S	C	*	.	H	α-helix	trans	-68	-31.2	175.5	0	0	0	0	0	112.7	Q153 F154 L155 N159	Q153-A157 VanDerWaalsContact O-CB 3.25Å; Q153-A157 WeakPolarHBondContact O-CB 2.84Å; Q153-A157 PolarHBondContact O-N 3.12Å; F154-A157 PolarHBondContact O-N 3.2Å; L155-A157 VanDerWaalsContact C-N 3.28Å; L155-A157 PolarHBondContact O-N 3.42Å; A157-N159 VanDerWaalsContact C-N 3.32Å
158	I	94.1	Very high	95.2	Very high	56 Å²	56	23.7 Å²	23.7	29%	0.287	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	19.9	173	66	169.9	0	0	0	112.8	R88 F154 L155 H156 I160	R88-I158 HydrophobicContact CB-CD1 4.23Å; F154-I158 HydrophobicContact CD1-CD1 4.2Å; F154-I158 HydrophobicContact CE1-CD1 3.7Å; F154-I158 HydrophobicContact CE1-CG1 4.45Å; F154-I158 WeakPolarHBondContact O-CG1 3.38Å; F154-I158 PolarHBondContact O-N 3.42Å; L155-I158 CarbonylContact O-C 3.49Å; L155-I158 VanDerWaalsContact O-CG1 3.28Å; L155-I158 WeakPolarHBondContact O-CG1 3.31Å; L155-I158 PolarHBondContact O-N 3.28Å; L155-I158 VanDerWaalsContact O-N 3.14Å; H156-I158 VanDerWaalsContact C-N 3.33Å; I158-I160 VanDerWaalsContact C-N 3.3Å; I158-I160 HydrophobicContact CD1-CD1 3.57Å; I158-I160 HydrophobicContact CD1-CG1 4.21Å; I158-I160 HydrophobicContact CG1-CB 4.43Å; I158-I160 HydrophobicContact CG1-CD1 3.95Å; I158-I160 HydrophobicContact CG1-CG1 4Å; I158-I160 PolarHBondContact O-N 3.15Å
159	N	92.8	Very high	95	Very high	57 Å²	57	24.1 Å²	24.1	31%	0.305	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	38	178.6	-64.6	-48.8	0	0	0	114.6	L155 H156 A157 E191 T192 T193 K220	L155-N159 PolarHBondContact O-N 3.47Å; H156-N159 PolarHBondContact O-N 3.47Å; A157-N159 VanDerWaalsContact C-N 3.32Å; N159-E191 CarbonylContact O-C 3.58Å; N159-E191 VanDerWaalsContact O-CA 3.28Å; N159-E191 WeakPolarHBondContact O-CA 3.26Å; N159-T192 PolarHBondContact O-N 2.73Å; N159-T192 PolarHBondContact O-OG1 2.76Å; N159-T193 HydrophobicContact CB-CG2 3.91Å; N159-K220 PolarHBondContact OD1-NZ 3.22Å
160	I	94.4	Very high	95	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	130.7	170.4	-58.7	179.6	0	0	0	108.3	L85 R88 L155 H156 I158 A189 K190	L85-I160 HydrophobicContact CB-CD1 4.21Å; L85-I160 HydrophobicContact CD2-CD1 3.59Å; L85-I160 HydrophobicContact CD2-CG1 3.73Å; L85-I160 HydrophobicContact CD2-CG2 4.28Å; R88-I160 HydrophobicContact CB-CD1 4.32Å; L155-I160 CarbonylContact C-O 3.54Å; L155-I160 HydrophobicContact CB-CB 4.33Å; L155-I160 WeakPolarHBondContact CB-O 3.4Å; L155-I160 HydrophobicContact CD2-CB 4.2Å; L155-I160 HydrophobicContact CD2-CG2 4.07Å; L155-I160 PolarHBondContact O-N 2.99Å; L155-I160 VanDerWaalsContact O-O 3.11Å; H156-I160 PolarHBondContact CD2-O 3.14Å; H156-I160 PolarHBondContact N-O 3.49Å; I158-I160 VanDerWaalsContact C-N 3.3Å; I158-I160 HydrophobicContact CD1-CD1 3.57Å; I158-I160 HydrophobicContact CD1-CG1 4.21Å; I158-I160 HydrophobicContact CG1-CB 4.43Å; I158-I160 HydrophobicContact CG1-CD1 3.95Å; I158-I160 HydrophobicContact CG1-CG1 4Å; I158-I160 PolarHBondContact O-N 3.15Å; I160-A189 HydrophobicContact CG2-CB 4.27Å; I160-K190 WeakPolarHBondContact CA-O 3.21Å
161	A	94.6	Very high	94.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	133.9	163.6	0	0	0	0	0	108.6	R163 A189 K190 T192 D219 K220 D223	A161-R163 HydrophobicContact CB-CG 3.79Å; A161-A189 VanDerWaalsContact O-CA 3.25Å; A161-A189 WeakPolarHBondContact O-CA 3.29Å; A161-K190 PolarHBondContact N-O 2.75Å; A161-K190 PolarHBondContact O-N 3.38Å; A161-T192 HydrophobicContact CB-CG2 3.63Å; A161-D219 HydrophobicContact CB-CB 3.89Å; A161-K220 HydrophobicContact CB-CG 4.46Å; A161-D223 WeakPolarHBondContact CA-OD2 3Å
162	H	95.4	Very high	94.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.125	C	C	.	.			trans	-75.8	-44.5	-179	-172.9	-90.7	0	0	0	111.2	L155 D164 V165 L183 T184 D185 F188 A189 D223	L155-H162 HydrophobicContact CD1-CB 3.85Å; H162-D164 PolarHBondContact CE1-O 2.66Å; H162-D164 VanDerWaalsContact CE1-O 3.3Å; H162-D164 PolarHBondContact ND1-N 2.81Å; H162-D164 PolarHBondContact ND1-O 3.44Å; H162-D164 PolarHBondContact O-N 2.88Å; H162-V165 HydrophobicContact CB-CG2 3.81Å; H162-V165 PolarHBondContact ND1-N 3.17Å; H162-L183 HydrophobicContact CB-CD2 4.33Å; H162-T184 PolarHBondContact CE1-O 3.24Å; H162-T184 PolarHBondContact NE2-O 2.99Å; H162-T184 VanDerWaalsContact NE2-O 3.11Å; H162-D185 PolarHBondContact CE1-O 2.95Å; H162-D185 VanDerWaalsContact CE1-O 3.23Å; H162-D185 PolarHBondContact NE2-O 2.75Å; H162-F188 CarbonylContact O-C 3.57Å; H162-A189 WeakPolarHBondContact O-CA 3.36Å; H162-A189 PolarHBondContact O-N 3.26Å; H162-D223 PolarHBondContact N-OD1 3.31Å; H162-D223 PolarHBondContact N-OD2 2.78Å
163	R	92.7	Very high	94.8	Very high	27 Å²	27	24.8 Å²	24.8	10%	0.102	13%	0.134	C	C	.	.			trans	66.3	-13.6	177.8	-51.2	-170.7	-60.2	165.4	7.5	115.5	A161 F188 D219 D223 R342 V343	A161-R163 HydrophobicContact CB-CG 3.79Å; R163-F188 HydrophobicContact CB-CB 4.48Å; R163-F188 VanDerWaalsContact CZ-O 3.25Å; R163-F188 PolarHBondContact NE-O 3.35Å; R163-F188 PolarHBondContact NH2-O 3.41Å; R163-D219 WeakPolarHBondContact CD-OD1 3.31Å; R163-D219 IonicContact CZ-OD1 3.49Å; R163-D219 IonicContact NE-OD1 2.62Å; R163-D219 IonicContact NH1-OD1 3.52Å; R163-D219 PolarHBondContact NH1-OD1 3.07Å; R163-D223 WeakPolarHBondContact CA-OD1 3.45Å; R163-D223 PolarHBondContact N-OD1 3.04Å; R163-R342 HydrophobicContact CB-CG 4.07Å; R163-R342 PolarHBondContact O-NE 3.09Å; R163-R342 PolarHBondContact O-NH2 3.23Å; R163-V343 PolarHBondContact NH1-O 2.89Å
164	D	92.7	Very high	94.7	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	13%	0.128	C	C	.	.			trans	-119.9	41.5	175.9	-161.5	36.4	0	0	0	113.4	H162 K166 N169 F188 R342	H162-D164 PolarHBondContact CE1-O 2.66Å; H162-D164 VanDerWaalsContact CE1-O 3.3Å; H162-D164 PolarHBondContact ND1-N 2.81Å; H162-D164 PolarHBondContact ND1-O 3.44Å; H162-D164 PolarHBondContact O-N 2.88Å; D164-K166 PolarHBondContact O-N 3.17Å; D164-K166 WeakPolarHBondContact OD1-CD 3.41Å; D164-K166 WeakPolarHBondContact OD1-CE 3.19Å; D164-K166 IonicContact OD1-NZ 3.65Å; D164-K166 IonicContact OD2-NZ 2.74Å; D164-N169 PolarHBondContact O-ND2 3.47Å; D164-N169 PolarHBondContact OD2-ND2 3.43Å; D164-N169 VanDerWaalsContact OD2-ND2 3.08Å; D164-F188 HydrophobicContact CB-CB 4.14Å; D164-F188 HydrophobicContact CB-CD2 3.81Å; D164-F188 HydrophobicContact CB-CG 4.33Å; D164-R342 VanDerWaalsContact CG-NH2 3.31Å; D164-R342 IonicContact OD1-CZ 3.27Å; D164-R342 IonicContact OD1-NH1 2.89Å; D164-R342 IonicContact OD1-NH2 3.93Å; D164-R342 PolarHBondContact OD1-NH2 2.99Å
165	V	94.9	Very high	94.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.151	C	C	.	.			trans	-76.7	114.1	175.2	-174.2	0	0	0	0	108.6	I148 I152 H162 L183 D223 S226 I230	I148-V165 HydrophobicContact CG2-CG1 4.36Å; I152-V165 HydrophobicContact CD1-CG2 3.57Å; H162-V165 HydrophobicContact CB-CG2 3.81Å; H162-V165 PolarHBondContact ND1-N 3.17Å; V165-L183 HydrophobicContact CG1-CD1 4.49Å; V165-L183 HydrophobicContact CG2-CD1 4.49Å; V165-L183 HydrophobicContact CG2-CD2 4.45Å; V165-D223 HydrophobicContact CG2-CB 4.38Å; V165-S226 WeakPolarHBondContact O-CB 3.35Å; V165-S226 PolarHBondContact O-OG 3.31Å; V165-I230 HydrophobicContact CG1-CD1 3.8Å
166	K	90.9	Very high	94.2	Very high	13 Å²	13	37.2 Å²	37.2	6%	0.057	19%	0.186	C	C	.	.	S	Bend	trans	-159.4	163.6	-175.7	60.8	178.5	-173.6	177.5	0	110.9	D164 E168 N169 T335 L338	D164-K166 PolarHBondContact O-N 3.17Å; D164-K166 WeakPolarHBondContact OD1-CD 3.41Å; D164-K166 WeakPolarHBondContact OD1-CE 3.19Å; D164-K166 IonicContact OD1-NZ 3.65Å; D164-K166 IonicContact OD2-NZ 2.74Å; K166-E168 VanDerWaalsContact C-N 3.27Å; K166-E168 WeakPolarHBondContact CB-OE2 3.33Å; K166-E168 VanDerWaalsContact CD-OE2 3.24Å; K166-E168 WeakPolarHBondContact CD-OE2 3.41Å; K166-E168 WeakPolarHBondContact CG-OE2 3.5Å; K166-E168 IonicContact NZ-OE1 3.85Å; K166-E168 PolarHBondContact O-N 2.84Å; K166-E168 VanDerWaalsContact O-N 3.16Å; K166-N169 HydrophobicContact CG-CB 4.33Å; K166-N169 PolarHBondContact O-N 2.62Å; K166-T335 PolarHBondContact NZ-OG1 3.26Å; K166-L338 HydrophobicContact CB-CD1 4.04Å; K166-L338 HydrophobicContact CD-CD1 4.39Å
167	P	89.5	Confident	93.7	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.006	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-44.8	-45.1	-177.2	-35.6	39.9	0	0	0	115.7	F125 N169 L170 W327 M334	F125-P167 HydrophobicContact CD2-CB 3.68Å; F125-P167 HydrophobicContact CD2-CG 3.94Å; F125-P167 HydrophobicContact CE2-CB 3.97Å; F125-P167 HydrophobicContact CE2-CG 3.76Å; P167-N169 PolarHBondContact O-N 3.31Å; P167-L170 PolarHBondContact O-N 3.08Å; P167-L170 VanDerWaalsContact O-N 3.15Å; P167-W327 HydrophobicContact CB-CH2 4.46Å; P167-W327 HydrophobicContact CB-CZ2 3.97Å; P167-W327 HydrophobicContact CG-CH2 4.13Å; P167-W327 HydrophobicContact CG-CZ2 4.12Å; P167-M334 HydrophobicContact CG-CE 4.19Å; P167-M334 HydrophobicContact CG-SD 3.84Å
168	E	89.7	Confident	93.3	Very high	41 Å²	41	50.2 Å²	50.2	19%	0.192	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-68.2	-23.5	-174.3	-50.2	95.6	128.3	0	0	112.4	K166 K331	K166-E168 VanDerWaalsContact C-N 3.27Å; K166-E168 WeakPolarHBondContact CB-OE2 3.33Å; K166-E168 VanDerWaalsContact CD-OE2 3.24Å; K166-E168 WeakPolarHBondContact CD-OE2 3.41Å; K166-E168 WeakPolarHBondContact CG-OE2 3.5Å; K166-E168 IonicContact NZ-OE1 3.85Å; K166-E168 PolarHBondContact O-N 2.84Å; K166-E168 VanDerWaalsContact O-N 3.16Å; E168-K331 HydrophobicContact CG-CD 3.67Å; E168-K331 HydrophobicContact CG-CG 4.27Å; E168-K331 WeakPolarHBondContact OE1-CB 3.48Å
169	N	95	Very high	93.4	Very high	12 Å²	12	48.2 Å²	48.2	6%	0.064	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-95.5	7.1	179.9	-71.7	-20	0	0	0	112.7	D164 K166 P167 L183 T184 D185	D164-N169 PolarHBondContact O-ND2 3.47Å; D164-N169 PolarHBondContact OD2-ND2 3.43Å; D164-N169 VanDerWaalsContact OD2-ND2 3.08Å; K166-N169 HydrophobicContact CG-CB 4.33Å; K166-N169 PolarHBondContact O-N 2.62Å; P167-N169 PolarHBondContact O-N 3.31Å; N169-L183 HydrophobicContact CB-CD1 4.23Å; N169-L183 CarbonylContact O-C 3.42Å; N169-L183 WeakPolarHBondContact O-CA 3.1Å; N169-T184 HydrophobicContact CB-CG2 4.19Å; N169-T184 WeakPolarHBondContact O-CG2 3.37Å; N169-T184 PolarHBondContact O-N 3.23Å; N169-D185 WeakPolarHBondContact OD1-CB 3.39Å
170	L	97.3	Very high	93.5	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	97.6	179.7	-66.4	174.4	0	0	0	110.1	L124 I148 P167 L181 L183 I230	L124-L170 HydrophobicContact CB-CB 4.07Å; L124-L170 HydrophobicContact CD2-CB 4.4Å; L124-L170 HydrophobicContact CD2-CD1 3.95Å; L124-L170 PolarHBondContact N-O 3.11Å; I148-L170 HydrophobicContact CD1-CD1 3.7Å; I148-L170 HydrophobicContact CD1-CD2 4.45Å; I148-L170 HydrophobicContact CG1-CD1 4.25Å; I148-L170 HydrophobicContact CG1-CD2 4.08Å; I148-L170 HydrophobicContact CG2-CD2 4.21Å; P167-L170 PolarHBondContact O-N 3.08Å; P167-L170 VanDerWaalsContact O-N 3.15Å; L170-L181 HydrophobicContact CB-CD1 4.2Å; L170-L183 HydrophobicContact CD2-CB 4.47Å; L170-L183 HydrophobicContact CD2-CD1 3.99Å; L170-I230 HydrophobicContact CD1-CD1 3.83Å; L170-I230 HydrophobicContact CD1-CG2 4.47Å
171	L	97.1	Very high	93.7	Very high	36 Å²	36	50 Å²	50	19%	0.188	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	142.9	-171.2	-55.8	-179.3	0	0	0	111.8	M119 G122 E123 K182 T184	M119-L171 HydrophobicContact CB-CB 3.87Å; M119-L171 HydrophobicContact CB-CD1 3.91Å; M119-L171 HydrophobicContact CE-CB 3.96Å; M119-L171 WeakPolarHBondContact CE-O 3.49Å; M119-L171 HydrophobicContact CG-CB 4.21Å; M119-L171 HydrophobicContact CG-CD1 4.22Å; G122-L171 WeakPolarHBondContact O-CA 3.45Å; E123-L171 HydrophobicContact CB-CD2 4.35Å; E123-L171 HydrophobicContact CG-CD2 3.71Å; L171-K182 PolarHBondContact N-O 3.11Å; L171-K182 PolarHBondContact O-N 2.93Å; L171-T184 HydrophobicContact CD1-CG2 3.93Å; L171-T184 HydrophobicContact CG-CG2 4.22Å
172	Y	97.8	Very high	93.9	Very high	16 Å²	16	50.4 Å²	50.4	6%	0.063	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	138.6	170	-78.5	-75.8	0	0	0	111.6	M119 G121 G122 L124 R127 S174 A179 L180 L181	M119-Y172 CarbonylContact C-O 3.51Å; M119-Y172 VanDerWaalsContact CE-C 3.45Å; G121-Y172 WeakPolarHBondContact CA-O 3.36Å; G121-Y172 PolarHBondContact N-O 2.9Å; G122-Y172 PolarHBondContact O-N 3.36Å; L124-Y172 HydrophobicContact CD1-CE2 3.66Å; L124-Y172 WeakPolarHBondContact CD1-OH 3.5Å; R127-Y172 HydrophobicContact CB-CD2 4.06Å; R127-Y172 HydrophobicContact CB-CE2 4.01Å; R127-Y172 HydrophobicContact CG-CD2 4.3Å; R127-Y172 HydrophobicContact CG-CE2 4.27Å; R127-Y172 VanDerWaalsContact NH1-CG 3.29Å; Y172-S174 VanDerWaalsContact C-N 3.26Å; Y172-S174 PolarHBondContact O-N 3.43Å; Y172-A179 HydrophobicContact CD1-CB 4.21Å; Y172-A179 WeakPolarHBondContact CD1-O 3.49Å; Y172-L180 WeakPolarHBondContact CA-O 3.49Å; Y172-L181 HydrophobicContact CD1-CB 4.14Å; Y172-L181 HydrophobicContact CD1-CD1 4.31Å; Y172-L181 HydrophobicContact CD2-CD1 4.13Å; Y172-L181 HydrophobicContact CE1-CB 3.81Å; Y172-L181 HydrophobicContact CE1-CD1 4.19Å; Y172-L181 HydrophobicContact CE2-CD1 4Å; Y172-L181 HydrophobicContact CG-CD1 4.3Å
173	S	96.8	Very high	94	Very high	28 Å²	28	50.5 Å²	50.5	20%	0.196	24%	0.236	C	C	.	.	S	Bend	trans	-61.6	-31	179.1	46.5	0	0	0	0	113.7	M119 D120 L180	M119-S173 VanDerWaalsContact CE-N 3.34Å; D120-S173 PolarHBondContact N-O 3.03Å; S173-L180 PolarHBondContact N-O 3.16Å; S173-L180 PolarHBondContact OG-N 3.32Å; S173-L180 PolarHBondContact OG-O 2.83Å; S173-L180 VanDerWaalsContact OG-O 3.09Å
174	S	95.8	Very high	94.2	Very high	33 Å²	33	50.2 Å²	50.2	23%	0.231	24%	0.238	C	C	.	.			trans	-159.3	173.8	176.4	70.4	0	0	0	0	111.2	G121 Y172 R176 A179	G121-S174 VanDerWaalsContact CA-O 3.29Å; G121-S174 WeakPolarHBondContact CA-O 3.49Å; Y172-S174 VanDerWaalsContact C-N 3.26Å; Y172-S174 PolarHBondContact O-N 3.43Å; S174-R176 PolarHBondContact O-N 2.84Å; S174-R176 PolarHBondContact OG-N 2.95Å; S174-A179 WeakPolarHBondContact O-CB 3.42Å
175	K	92.6	Very high	94.1	Very high	176 Å²	176	50.9 Å²	50.9	77%	0.765	24%	0.241	S	C	*	.	S	Bend	trans	-76.6	-5.1	174.5	-60	-174.5	179.2	-175.1	0	113.7
176	R	92.7	Very high	94.1	Very high	192 Å²	192	50.9 Å²	50.9	73%	0.725	24%	0.241	S	C	*	.	S	Bend	trans	-68.3	148	-176.9	-63.2	-177.7	-178.5	175.8	1.9	110.9	R127 S174 R178 A179	R127-R176 PolarHBondContact NH2-O 2.88Å; S174-R176 PolarHBondContact O-N 2.84Å; S174-R176 PolarHBondContact OG-N 2.95Å; R176-R178 VanDerWaalsContact C-N 3.27Å; R176-R178 PolarHBondContact O-N 2.92Å; R176-R178 VanDerWaalsContact O-N 3.14Å; R176-A179 WeakPolarHBondContact O-CB 3.36Å; R176-A179 PolarHBondContact O-N 2.86Å
177	P	85.9	Confident	94	Very high	122 Å²	122	50.6 Å²	50.6	79%	0.792	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-39.5	-177.5	-29.5	35.6	0	0	0	114.6	A179	P177-A179 VanDerWaalsContact C-N 3.32Å; P177-A179 PolarHBondContact O-N 2.86Å
178	R	87.4	Confident	94	Very high	242 Å²	242	53 Å²	53	91%	0.913	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	22.5	179.8	-61.7	-175.8	177.3	140.2	-0.2	114.3	R176 L180	R176-R178 VanDerWaalsContact C-N 3.27Å; R176-R178 PolarHBondContact O-N 2.92Å; R176-R178 VanDerWaalsContact O-N 3.14Å; R178-L180 PolarHBondContact O-N 3.34Å
179	A	94.5	Very high	94.1	Very high	14 Å²	14	51.7 Å²	51.7	12%	0.116	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-66	134.8	178.8	0	0	0	0	0	111.2	Y172 S174 R176 P177	Y172-A179 HydrophobicContact CD1-CB 4.21Å; Y172-A179 WeakPolarHBondContact CD1-O 3.49Å; S174-A179 WeakPolarHBondContact O-CB 3.42Å; R176-A179 WeakPolarHBondContact O-CB 3.36Å; R176-A179 PolarHBondContact O-N 2.86Å; P177-A179 VanDerWaalsContact C-N 3.32Å; P177-A179 PolarHBondContact O-N 2.86Å
180	L	96.6	Very high	93.8	Very high	89 Å²	89	53.1 Å²	53.1	47%	0.466	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-71.4	136.7	175.2	-61.3	176	0	0	0	110.5	Y172 S173 R178	Y172-L180 WeakPolarHBondContact CA-O 3.49Å; S173-L180 PolarHBondContact N-O 3.16Å; S173-L180 PolarHBondContact OG-N 3.32Å; S173-L180 PolarHBondContact OG-O 2.83Å; S173-L180 VanDerWaalsContact OG-O 3.09Å; R178-L180 PolarHBondContact O-N 3.34Å
181	L	98.1	Very high	93.5	Very high	6 Å²	6	56.7 Å²	56.7	3%	0.031	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	131.9	166.9	-176.6	66.4	0	0	0	109.1	N94 L124 I144 I148 L170 Y172	N94-L181 PolarHBondContact ND2-O 3.44Å; L124-L181 HydrophobicContact CB-CD1 4.15Å; L124-L181 HydrophobicContact CD1-CD1 4.21Å; L124-L181 HydrophobicContact CD1-CD2 4.19Å; L124-L181 HydrophobicContact CD2-CD2 4.25Å; I144-L181 HydrophobicContact CG2-CD2 3.94Å; I148-L181 HydrophobicContact CD1-CD2 4.2Å; I148-L181 HydrophobicContact CG1-CD2 3.72Å; L170-L181 HydrophobicContact CB-CD1 4.2Å; Y172-L181 HydrophobicContact CD1-CB 4.14Å; Y172-L181 HydrophobicContact CD1-CD1 4.31Å; Y172-L181 HydrophobicContact CD2-CD1 4.13Å; Y172-L181 HydrophobicContact CE1-CB 3.81Å; Y172-L181 HydrophobicContact CE1-CD1 4.19Å; Y172-L181 HydrophobicContact CE2-CD1 4Å; Y172-L181 HydrophobicContact CG-CD1 4.3Å
182	K	98.6	Very high	92.7	Very high	9 Å²	9	55 Å²	55	4%	0.039	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	144	-179.4	-52.3	-170	174.7	-158.1	0	112.7	A93 N94 V96 E117 M119 L171	A93-K182 WeakPolarHBondContact O-CE 3.34Å; A93-K182 PolarHBondContact O-NZ 3.44Å; N94-K182 CarbonylContact O-C 3.59Å; N94-K182 VanDerWaalsContact O-CA 3.23Å; N94-K182 WeakPolarHBondContact O-CA 3.27Å; V96-K182 HydrophobicContact CG2-CB 3.98Å; E117-K182 IonicContact OE1-NZ 3.62Å; E117-K182 PolarHBondContact OE1-NZ 2.89Å; E117-K182 IonicContact OE2-NZ 2.73Å; E117-K182 PolarHBondContact OE2-NZ 3Å; M119-K182 HydrophobicContact CE-CB 3.71Å; M119-K182 HydrophobicContact CE-CD 3.91Å; M119-K182 HydrophobicContact CE-CG 3.82Å; M119-K182 HydrophobicContact SD-CD 4.14Å; L171-K182 PolarHBondContact N-O 3.11Å; L171-K182 PolarHBondContact O-N 2.93Å
183	L	98.4	Very high	91.4	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	137.9	170.7	-176.7	62.6	0	0	0	110.6	N94 V96 A151 I152 L155 H162 V165 N169 L170	N94-L183 PolarHBondContact O-N 2.99Å; V96-L183 PolarHBondContact N-O 2.96Å; A151-L183 HydrophobicContact CB-CB 4.27Å; A151-L183 HydrophobicContact CB-CD2 4.42Å; I152-L183 HydrophobicContact CD1-CD2 3.88Å; L155-L183 HydrophobicContact CD1-CD2 4.02Å; H162-L183 HydrophobicContact CB-CD2 4.33Å; V165-L183 HydrophobicContact CG1-CD1 4.49Å; V165-L183 HydrophobicContact CG2-CD1 4.49Å; V165-L183 HydrophobicContact CG2-CD2 4.45Å; N169-L183 HydrophobicContact CB-CD1 4.23Å; N169-L183 CarbonylContact O-C 3.42Å; N169-L183 WeakPolarHBondContact O-CA 3.1Å; L170-L183 HydrophobicContact CD2-CB 4.47Å; L170-L183 HydrophobicContact CD2-CD1 3.99Å
184	T	95.4	Very high	89.1	Confident	22 Å²	22	58.7 Å²	58.7	14%	0.135	29%	0.288	C	S	.	.			trans	-129.7	175.3	176.7	-166.8	0	0	0	0	111.8	H162 N169 L171	H162-T184 PolarHBondContact CE1-O 3.24Å; H162-T184 PolarHBondContact NE2-O 2.99Å; H162-T184 VanDerWaalsContact NE2-O 3.11Å; N169-T184 HydrophobicContact CB-CG2 4.19Å; N169-T184 WeakPolarHBondContact O-CG2 3.37Å; N169-T184 PolarHBondContact O-N 3.23Å; L171-T184 HydrophobicContact CD1-CG2 3.93Å; L171-T184 HydrophobicContact CG-CG2 4.22Å
185	D	91.4	Very high	86.6	Confident	15 Å²	15	65.1 Å²	65.1	8%	0.08	31%	0.314	C	S	.	.			trans	62.7	88.7	174.8	-157.3	-3.8	0	0	0	117	K71 H162 N169 G187	K71-D185 IonicContact NZ-OD1 3.7Å; K71-D185 PolarHBondContact NZ-OD1 3.06Å; K71-D185 IonicContact NZ-OD2 3.9Å; H162-D185 PolarHBondContact CE1-O 2.95Å; H162-D185 VanDerWaalsContact CE1-O 3.23Å; H162-D185 PolarHBondContact NE2-O 2.75Å; N169-D185 WeakPolarHBondContact OD1-CB 3.39Å; D185-G187 VanDerWaalsContact C-N 3.25Å; D185-G187 PolarHBondContact O-N 3.48Å; D185-G187 PolarHBondContact OD1-N 3.3Å
186	F	93.9	Very high	84	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.318	C	S	.	.			trans	-86.5	15.4	179.7	-77.6	-115.2	0	0	0	113.5	E82 L85 H86 A89 I95 L155 F188 A189	E82-F186 HydrophobicContact CG-CB 4.06Å; L85-F186 HydrophobicContact CB-CD1 4.31Å; H86-F186 HydrophobicContact CB-CB 3.84Å; H86-F186 HydrophobicContact CB-CD1 3.88Å; H86-F186 HydrophobicContact CB-CD2 3.83Å; H86-F186 HydrophobicContact CB-CE1 4.43Å; H86-F186 HydrophobicContact CB-CE2 4.4Å; H86-F186 HydrophobicContact CB-CG 3.56Å; H86-F186 AromaticContact CD2-CD2 3.5Å; H86-F186 VanDerWaalsContact CD2-CD2 3.5Å; H86-F186 WeakPolarHBondContact CD2-CD2 3.25Å; H86-F186 AromaticContact CD2-CE2 3.4Å; H86-F186 WeakPolarHBondContact CD2-CE2 3.48Å; H86-F186 AromaticContact CD2-CZ 3.93Å; H86-F186 AromaticContact CG-CD2 3.42Å; H86-F186 VanDerWaalsContact CG-CD2 3.42Å; H86-F186 AromaticContact CG-CE2 3.83Å; H86-F186 AromaticContact CG-CG 3.73Å; H86-F186 AromaticContact ND1-CD2 3.75Å; H86-F186 AromaticContact NE2-CD2 3.87Å; H86-F186 AromaticContact NE2-CE2 3.75Å; A89-F186 HydrophobicContact CB-CE1 3.44Å; A89-F186 VanDerWaalsContact CB-CE1 3.44Å; A89-F186 HydrophobicContact CB-CZ 3.46Å; A89-F186 VanDerWaalsContact CB-CZ 3.46Å; I95-F186 HydrophobicContact CD1-CZ 4.31Å; I95-F186 HydrophobicContact CG2-CE2 3.76Å; I95-F186 HydrophobicContact CG2-CZ 3.68Å; L155-F186 HydrophobicContact CD1-CE1 4.46Å; L155-F186 HydrophobicContact CD1-CZ 4.42Å; L155-F186 HydrophobicContact CD2-CE1 3.72Å; L155-F186 HydrophobicContact CD2-CZ 4Å; F186-F188 PolarHBondContact O-N 3.23Å; F186-A189 HydrophobicContact CB-CB 3.9Å; F186-A189 HydrophobicContact CD1-CB 3.66Å; F186-A189 HydrophobicContact CG-CB 4.14Å; F186-A189 VanDerWaalsContact O-CB 3.3Å; F186-A189 WeakPolarHBondContact O-CB 3.48Å; F186-A189 PolarHBondContact O-N 3.29Å
187	G	90.1	Very high	81.2	Confident	6 Å²	6	60 Å²	60	6%	0.062	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-20.1	-174.5	0	0	0	0	0	116	N53 E82 D185	N53-G187 WeakPolarHBondContact ND2-CA 3.43Å; E82-G187 VanDerWaalsContact CD-CA 3.46Å; E82-G187 WeakPolarHBondContact OE2-CA 3.47Å; D185-G187 VanDerWaalsContact C-N 3.25Å; D185-G187 PolarHBondContact O-N 3.48Å; D185-G187 PolarHBondContact OD1-N 3.3Å
188	F	89.6	Confident	78.8	Confident	51 Å²	51	62.1 Å²	62.1	22%	0.224	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-0.5	173.6	-64.2	-85.3	0	0	0	113.5	I52 H162 R163 D164 F186 R342	I52-F188 HydrophobicContact CD1-CE2 3.76Å; I52-F188 HydrophobicContact CD1-CZ 4.23Å; I52-F188 HydrophobicContact CG2-CZ 4.41Å; H162-F188 CarbonylContact O-C 3.57Å; R163-F188 HydrophobicContact CB-CB 4.48Å; R163-F188 VanDerWaalsContact CZ-O 3.25Å; R163-F188 PolarHBondContact NE-O 3.35Å; R163-F188 PolarHBondContact NH2-O 3.41Å; D164-F188 HydrophobicContact CB-CB 4.14Å; D164-F188 HydrophobicContact CB-CD2 3.81Å; D164-F188 HydrophobicContact CB-CG 4.33Å; F186-F188 PolarHBondContact O-N 3.23Å; F188-R342 VanDerWaalsContact CE2-NH1 3.29Å
189	A	91.9	Very high	76.3	Confident	14 Å²	14	57.2 Å²	57.2	12%	0.116	31%	0.313	C	S	.	.			trans	-61.5	147.3	-179.7	0	0	0	0	0	110.3	L85 I160 A161 H162 F186	L85-A189 HydrophobicContact CB-CB 4.49Å; L85-A189 HydrophobicContact CD1-CB 4.08Å; L85-A189 WeakPolarHBondContact CD1-O 3.4Å; I160-A189 HydrophobicContact CG2-CB 4.27Å; A161-A189 VanDerWaalsContact O-CA 3.25Å; A161-A189 WeakPolarHBondContact O-CA 3.29Å; H162-A189 WeakPolarHBondContact O-CA 3.36Å; H162-A189 PolarHBondContact O-N 3.26Å; F186-A189 HydrophobicContact CB-CB 3.9Å; F186-A189 HydrophobicContact CD1-CB 3.66Å; F186-A189 HydrophobicContact CG-CB 4.14Å; F186-A189 VanDerWaalsContact O-CB 3.3Å; F186-A189 WeakPolarHBondContact O-CB 3.48Å; F186-A189 PolarHBondContact O-N 3.29Å
190	K	88.8	Confident	73.9	Confident	43 Å²	43	62.7 Å²	62.7	19%	0.187	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	143.5	-178	-171.2	-173.1	159.5	-147.8	0	110.3	I160 A161 T192 D219 Y345	I160-K190 WeakPolarHBondContact CA-O 3.21Å; A161-K190 PolarHBondContact N-O 2.75Å; A161-K190 PolarHBondContact O-N 3.38Å; K190-T192 PolarHBondContact O-N 3.18Å; K190-D219 IonicContact NZ-OD2 2.67Å; K190-D219 PolarHBondContact NZ-OD2 2.87Å; K190-Y345 HydrophobicContact CD-CD2 4.34Å; K190-Y345 HydrophobicContact CD-CE2 4.46Å
191	E	90.2	Very high	71	Confident	75 Å²	75	61.7 Å²	61.7	35%	0.35	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	125.2	168.2	-168.2	152.9	-152.5	0	0	109.5	L85 R88 N159	L85-E191 HydrophobicContact CD2-CB 4.26Å; R88-E191 IonicContact CZ-OE1 3.72Å; R88-E191 IonicContact CZ-OE2 3.67Å; R88-E191 IonicContact NH1-OE1 2.83Å; R88-E191 PolarHBondContact NH1-OE1 3.17Å; R88-E191 IonicContact NH1-OE2 3.5Å; R88-E191 IonicContact NH2-OE1 3.62Å; R88-E191 IonicContact NH2-OE2 2.86Å; R88-E191 PolarHBondContact NH2-OE2 3.07Å; N159-E191 CarbonylContact O-C 3.58Å; N159-E191 VanDerWaalsContact O-CA 3.28Å; N159-E191 WeakPolarHBondContact O-CA 3.26Å
192	T	81	Confident	67.9	Low	1 Å²	1	67.3 Å²	67.3	1%	0.006	38%	0.383	C	S	.	.	S	Bend	trans	-79.2	-29.7	-174.1	62.7	0	0	0	0	110.9	N159 A161 K190 S194 E216 D219 K220	N159-T192 PolarHBondContact O-N 2.73Å; N159-T192 PolarHBondContact O-OG1 2.76Å; A161-T192 HydrophobicContact CB-CG2 3.63Å; K190-T192 PolarHBondContact O-N 3.18Å; T192-S194 PolarHBondContact O-N 3.21Å; T192-E216 WeakPolarHBondContact O-CG 3.47Å; T192-D219 HydrophobicContact CG2-CB 4.03Å; T192-K220 HydrophobicContact CG2-CG 3.87Å; T192-K220 WeakPolarHBondContact OG1-CE 3.39Å
193	T	69.4	Low	65	Low	49 Å²	49	75.7 Å²	75.7	30%	0.301	42%	0.415	S	S	.	.			trans	-76.7	105.6	175.8	47.8	0	0	0	0	111.2	N159 H195 E216	N159-T193 HydrophobicContact CB-CG2 3.91Å; T193-H195 PolarHBondContact O-N 3.14Å; T193-E216 WeakPolarHBondContact CA-OE1 3.25Å
194	S	48.9	Very low	61.9	Low	72 Å²	72	80.2 Å²	80.2	50%	0.503	44%	0.443	S	S	.	.			trans	-94.1	88.6	170.8	-58.1	0	0	0	0	110.1	T192 N196 E216	T192-S194 PolarHBondContact O-N 3.21Å; S194-N196 PolarHBondContact O-N 3.38Å; S194-E216 PolarHBondContact N-OE1 3.44Å
195	H	42.8	Very low	59.3	Low	169 Å²	169	84.2 Å²	84.2	78%	0.782	47%	0.47	S	S	*	.			trans	-62.7	87.5	158.5	-102.4	-78.9	0	0	0	108.9	T193	T193-H195 PolarHBondContact O-N 3.14Å
196	N	37.6	Very low	56.6	Low	158 Å²	158	92.5 Å²	92.5	85%	0.845	50%	0.501	S	S	*	.			trans	-140.5	44.5	159.3	-92.4	-19.5	0	0	0	109.3	S194	S194-N196 PolarHBondContact O-N 3.38Å
197	S	33.8	Very low	54	Low	102 Å²	102	102.3 Å²	102.3	71%	0.713	54%	0.54	S	S	*	.	S	Bend	trans	-127.5	120.8	158.8	-63.3	0	0	0	0	106.1
198	L	37.2	Very low	51.6	Low	166 Å²	166	105.7 Å²	105.7	87%	0.869	56%	0.559	S	S	*	*			trans	-50	142.8	179.2	-68	137	0	0	0	110.6
199	D	33.1	Very low	49.4	Very low	139 Å²	139	104.9 Å²	104.9	74%	0.743	56%	0.561	S	S	*	*	S	Bend	trans	60	128	167.8	-62.9	-35.4	0	0	0	118.3	P201	D199-P201 WeakPolarHBondContact O-CD 3.15Å
200	T	45.3	Very low	47.1	Very low	130 Å²	130	109.2 Å²	109.2	80%	0.798	59%	0.589	S	S	*	*			trans	-21.2	121.6	165.3	-35.5	0	0	0	0	114.6
201	P	35	Very low	44.9	Very low	67 Å²	67	114.3 Å²	114.3	44%	0.435	61%	0.613	S	S	.	*			trans	-117	120.4	155.3	11	10.6	0	0	0	110.6	D199 Y203	D199-P201 WeakPolarHBondContact O-CD 3.15Å; P201-Y203 HydrophobicContact CB-CE2 4.47Å; P201-Y203 HydrophobicContact CG-CE1 4.47Å; P201-Y203 HydrophobicContact CG-CE2 4.16Å; P201-Y203 WeakPolarHBondContact O-CD2 3.25Å; P201-Y203 WeakPolarHBondContact O-CE2 3.4Å; P201-Y203 PolarHBondContact O-N 3.42Å; P201-Y203 VanDerWaalsContact O-N 3.15Å
202	C	34.3	Very low	42.5	Very low	125 Å²	125	115.6 Å²	115.6	85%	0.845	63%	0.626	S	S	*	*			trans	-58.6	107.6	155.6	-51.2	0	0	0	0	107.6
203	Y	36	Very low	40.9	Very low	184 Å²	184	119 Å²	119	72%	0.722	64%	0.644	S	S	*	*			trans	-80.3	126.3	-177.2	-73.2	-81.9	0	0	0	112.1	P201	P201-Y203 HydrophobicContact CB-CE2 4.47Å; P201-Y203 HydrophobicContact CG-CE1 4.47Å; P201-Y203 HydrophobicContact CG-CE2 4.16Å; P201-Y203 WeakPolarHBondContact O-CD2 3.25Å; P201-Y203 WeakPolarHBondContact O-CE2 3.4Å; P201-Y203 PolarHBondContact O-N 3.42Å; P201-Y203 VanDerWaalsContact O-N 3.15Å
204	T	33.4	Very low	40.1	Very low	97 Å²	97	117.8 Å²	117.8	60%	0.595	64%	0.64	S	S	*	*			trans	-103.1	122.9	161.4	-49.1	0	0	0	0	107.9	Y206	T204-Y206 VanDerWaalsContact C-N 3.34Å; T204-Y206 HydrophobicContact CG2-CD2 4.18Å; T204-Y206 PolarHBondContact O-N 2.72Å; T204-Y206 VanDerWaalsContact O-N 3.15Å
205	P	40.6	Very low	40.6	Very low	106 Å²	106	116.9 Å²	116.9	69%	0.688	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-73.4	-7.1	-160.9	-18.7	31.8	0	0	0	117.7	Y207	P205-Y207 PolarHBondContact O-N 3.48Å
206	Y	35.1	Very low	41.5	Very low	189 Å²	189	112.1 Å²	112.1	74%	0.741	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-86.7	-2.8	-159.5	-65.4	-73.2	0	0	0	116.5	T204	T204-Y206 VanDerWaalsContact C-N 3.34Å; T204-Y206 HydrophobicContact CG2-CD2 4.18Å; T204-Y206 PolarHBondContact O-N 2.72Å; T204-Y206 VanDerWaalsContact O-N 3.15Å
207	Y	39.6	Very low	42.8	Very low	206 Å²	206	109.3 Å²	109.3	81%	0.808	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-132.8	14.6	-165.7	-56.8	-73.7	0	0	0	116.8	P205	P205-Y207 PolarHBondContact O-N 3.48Å
208	V	39.8	Very low	44.7	Very low	76 Å²	76	109.4 Å²	109.4	46%	0.461	58%	0.577	S	S	.	*			trans	-92.3	120.9	-177.5	-177.3	0	0	0	0	111.2	V212 L213	V208-V212 HydrophobicContact CG1-CB 3.65Å; V208-V212 HydrophobicContact CG1-CG1 3.73Å; V208-V212 HydrophobicContact CG1-CG2 4.48Å; V208-L213 HydrophobicContact CG1-CD2 4.31Å
209	A	43.1	Very low	46.8	Very low	34 Å²	34	101.7 Å²	101.7	28%	0.281	54%	0.536	S	S	.	.			trans	-71.2	148.9	177.5	0	0	0	0	0	112.1	E211 V212	A209-E211 VanDerWaalsContact C-N 3.26Å; A209-E211 VanDerWaalsContact CB-CD 3.47Å; A209-E211 HydrophobicContact CB-CG 4.5Å; A209-E211 VanDerWaalsContact CB-OE1 3.31Å; A209-E211 WeakPolarHBondContact CB-OE1 3.38Å; A209-E211 WeakPolarHBondContact CB-OE2 3.12Å; A209-E211 PolarHBondContact O-N 3.25Å; A209-E211 VanDerWaalsContact O-N 3.15Å; A209-V212 HydrophobicContact CB-CG2 4.3Å; A209-V212 WeakPolarHBondContact O-CB 3.47Å; A209-V212 PolarHBondContact O-N 3.25Å
210	P	43.3	Very low	49.6	Very low	106 Å²	106	97.5 Å²	97.5	69%	0.688	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-56.6	-32.4	-172.8	-23.7	32.1	0	0	0	115.1	V212 L213	P210-V212 VanDerWaalsContact C-N 3.3Å; P210-V212 PolarHBondContact O-N 2.98Å; P210-L213 WeakPolarHBondContact O-CB 3.47Å; P210-L213 PolarHBondContact O-N 2.81Å
211	E	42.8	Very low	51.7	Low	149 Å²	149	91.9 Å²	91.9	70%	0.696	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-69.7	-24	178.1	64	-85.8	-160.9	0	0	113.5	A209 L213 G214	A209-E211 VanDerWaalsContact C-N 3.26Å; A209-E211 VanDerWaalsContact CB-CD 3.47Å; A209-E211 HydrophobicContact CB-CG 4.5Å; A209-E211 VanDerWaalsContact CB-OE1 3.31Å; A209-E211 WeakPolarHBondContact CB-OE1 3.38Å; A209-E211 WeakPolarHBondContact CB-OE2 3.12Å; A209-E211 PolarHBondContact O-N 3.25Å; A209-E211 VanDerWaalsContact O-N 3.15Å; E211-L213 VanDerWaalsContact C-N 3.25Å; E211-L213 PolarHBondContact O-N 2.82Å; E211-G214 PolarHBondContact O-N 3.37Å
212	V	40.7	Very low	54.3	Low	103 Å²	103	88.9 Å²	88.9	62%	0.624	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-75.2	-18.6	176.2	-176.7	0	0	0	0	111	V208 A209 P210 G214	V208-V212 HydrophobicContact CG1-CB 3.65Å; V208-V212 HydrophobicContact CG1-CG1 3.73Å; V208-V212 HydrophobicContact CG1-CG2 4.48Å; A209-V212 HydrophobicContact CB-CG2 4.3Å; A209-V212 WeakPolarHBondContact O-CB 3.47Å; A209-V212 PolarHBondContact O-N 3.25Å; P210-V212 VanDerWaalsContact C-N 3.3Å; P210-V212 PolarHBondContact O-N 2.98Å; V212-G214 PolarHBondContact O-N 3.44Å
213	L	46.3	Very low	57.2	Low	73 Å²	73	82.9 Å²	82.9	38%	0.382	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-73.8	-1.5	175.4	-59.7	171.3	0	0	0	113.7	V208 P210 E211 K217	V208-L213 HydrophobicContact CG1-CD2 4.31Å; P210-L213 WeakPolarHBondContact O-CB 3.47Å; P210-L213 PolarHBondContact O-N 2.81Å; E211-L213 VanDerWaalsContact C-N 3.25Å; E211-L213 PolarHBondContact O-N 2.82Å; L213-K217 HydrophobicContact CB-CD 4.11Å; L213-K217 VanDerWaalsContact CD1-NZ 3.29Å
214	G	53.7	Low	60.1	Low	22 Å²	22	74.3 Å²	74.3	23%	0.227	38%	0.384	C	S	.	.	H	α-helix	trans	66.7	178.3	149.5	0	0	0	0	0	118.1	E211 V212 E216 K217	E211-G214 PolarHBondContact O-N 3.37Å; V212-G214 PolarHBondContact O-N 3.44Å; G214-E216 PolarHBondContact O-N 3.34Å; G214-K217 PolarHBondContact O-N 3.34Å
215	P	58.8	Low	62.9	Low	53 Å²	53	70.1 Å²	70.1	34%	0.344	36%	0.357	S	S	.	.	H	α-helix	trans	-53.7	-15.6	174.1	17	-30.5	0	0	0	115.6	Y218 D219 Y345	P215-Y218 WeakPolarHBondContact O-CB 3.28Å; P215-Y218 PolarHBondContact O-N 3.3Å; P215-D219 PolarHBondContact O-N 3.26Å; P215-Y345 HydrophobicContact CB-CE1 3.73Å; P215-Y345 VanDerWaalsContact CB-CZ 3.47Å; P215-Y345 WeakPolarHBondContact CB-OH 3.31Å; P215-Y345 HydrophobicContact CG-CE1 4.22Å
216	E	61.7	Low	65.5	Low	69 Å²	69	65.1 Å²	65.1	32%	0.322	33%	0.325	S	S	.	.	H	α-helix	trans	-64.5	-41.6	-176.3	-38.6	-160.6	159.4	0	0	112.8	T192 T193 S194 G214 Y218 D219 K220	T192-E216 WeakPolarHBondContact O-CG 3.47Å; T193-E216 WeakPolarHBondContact CA-OE1 3.25Å; S194-E216 PolarHBondContact N-OE1 3.44Å; G214-E216 PolarHBondContact O-N 3.34Å; E216-Y218 VanDerWaalsContact C-N 3.3Å; E216-Y218 PolarHBondContact O-N 3.13Å; E216-D219 PolarHBondContact O-N 2.72Å; E216-K220 PolarHBondContact O-N 3Å
217	K	66.2	Low	68.5	Low	99 Å²	99	56.1 Å²	56.1	43%	0.43	29%	0.29	S	S	.	.	H	α-helix	trans	-64.4	-36.7	175.5	-77.1	-169.8	172.9	-172.9	0	111.5	L213 G214 S221	L213-K217 HydrophobicContact CB-CD 4.11Å; L213-K217 VanDerWaalsContact CD1-NZ 3.29Å; G214-K217 PolarHBondContact O-N 3.34Å; K217-S221 WeakPolarHBondContact O-CB 3.45Å; K217-S221 PolarHBondContact O-N 3.42Å; K217-S221 PolarHBondContact O-OG 3.44Å
218	Y	71.8	Confident	71.3	Confident	105 Å²	105	46.3 Å²	46.3	41%	0.412	25%	0.251	S	S	.	.	H	α-helix	trans	-66.7	-44.8	177.8	-72.2	-92.3	0	0	0	111.4	P215 E216 S221 C222 P288	P215-Y218 WeakPolarHBondContact O-CB 3.28Å; P215-Y218 PolarHBondContact O-N 3.3Å; E216-Y218 VanDerWaalsContact C-N 3.3Å; E216-Y218 PolarHBondContact O-N 3.13Å; Y218-S221 PolarHBondContact O-N 2.96Å; Y218-S221 PolarHBondContact O-OG 2.74Å; Y218-C222 PolarHBondContact O-N 3.12Å; Y218-P288 HydrophobicContact CD1-CB 3.97Å; Y218-P288 HydrophobicContact CD1-CG 3.82Å; Y218-P288 HydrophobicContact CE1-CB 4.02Å; Y218-P288 HydrophobicContact CE1-CG 3.69Å
219	D	83	Confident	73.8	Confident	3 Å²	3	43.1 Å²	43.1	2%	0.016	23%	0.232	C	C	.	.	H	α-helix	trans	-59.4	-51.8	178.6	-79.3	-34.9	0	0	0	111.2	A161 R163 K190 T192 P215 E216 S221 C222	A161-D219 HydrophobicContact CB-CB 3.89Å; R163-D219 WeakPolarHBondContact CD-OD1 3.31Å; R163-D219 IonicContact CZ-OD1 3.49Å; R163-D219 IonicContact NE-OD1 2.62Å; R163-D219 IonicContact NH1-OD1 3.52Å; R163-D219 PolarHBondContact NH1-OD1 3.07Å; K190-D219 IonicContact NZ-OD2 2.67Å; K190-D219 PolarHBondContact NZ-OD2 2.87Å; T192-D219 HydrophobicContact CG2-CB 4.03Å; P215-D219 PolarHBondContact O-N 3.26Å; E216-D219 PolarHBondContact O-N 2.72Å; D219-S221 PolarHBondContact O-N 3.34Å; D219-C222 WeakPolarHBondContact O-CB 3.41Å; D219-C222 PolarHBondContact O-N 2.91Å
220	K	90.2	Very high	76.4	Confident	52 Å²	52	41.5 Å²	41.5	23%	0.226	22%	0.218	C	C	.	.	H	α-helix	trans	-65.6	-35.6	178.2	-64.3	-168	-174.6	-176.9	0	112.9	H156 N159 A161 T192 E216 C222 D223 M224	H156-K220 HydrophobicContact CB-CD 4.23Å; H156-K220 PolarHBondContact CE1-O 2.9Å; H156-K220 PolarHBondContact O-NZ 3Å; N159-K220 PolarHBondContact OD1-NZ 3.22Å; A161-K220 HydrophobicContact CB-CG 4.46Å; T192-K220 HydrophobicContact CG2-CG 3.87Å; T192-K220 WeakPolarHBondContact OG1-CE 3.39Å; E216-K220 PolarHBondContact O-N 3Å; K220-C222 PolarHBondContact O-N 3.48Å; K220-D223 PolarHBondContact O-N 2.67Å; K220-M224 PolarHBondContact O-N 3.43Å
221	S	89.8	Confident	79	Confident	12 Å²	12	36.5 Å²	36.5	8%	0.084	19%	0.186	C	C	.	.	H	α-helix	trans	-64.9	-23.3	179.5	78.2	0	0	0	0	113.4	K217 Y218 D219 M224 W225 R291	K217-S221 WeakPolarHBondContact O-CB 3.45Å; K217-S221 PolarHBondContact O-N 3.42Å; K217-S221 PolarHBondContact O-OG 3.44Å; Y218-S221 PolarHBondContact O-N 2.96Å; Y218-S221 PolarHBondContact O-OG 2.74Å; D219-S221 PolarHBondContact O-N 3.34Å; S221-M224 PolarHBondContact O-N 3.12Å; S221-W225 PolarHBondContact O-N 2.96Å; S221-W225 VanDerWaalsContact O-N 3.07Å; S221-R291 VanDerWaalsContact CB-NH1 3.31Å; S221-R291 WeakPolarHBondContact O-CD 3.47Å; S221-R291 PolarHBondContact O-NH1 3.06Å; S221-R291 PolarHBondContact OG-NH1 3.38Å; S221-R291 VanDerWaalsContact OG-NH1 3.13Å
222	C	89.6	Confident	81.5	Confident	3 Å²	3	29.6 Å²	29.6	2%	0.02	15%	0.153	C	C	.	.	H	α-helix	trans	-65.2	-42.7	176.6	-174.9	0	0	0	0	110.8	Y218 D219 K220 M224 W225 S226	Y218-C222 PolarHBondContact O-N 3.12Å; D219-C222 WeakPolarHBondContact O-CB 3.41Å; D219-C222 PolarHBondContact O-N 2.91Å; K220-C222 PolarHBondContact O-N 3.48Å; C222-M224 VanDerWaalsContact C-N 3.3Å; C222-M224 PolarHBondContact O-N 3.2Å; C222-W225 WeakPolarHBondContact O-CB 3.46Å; C222-W225 PolarHBondContact O-N 3.37Å; C222-S226 PolarHBondContact O-N 2.94Å; C222-S226 VanDerWaalsContact O-N 3.1Å; C222-S226 PolarHBondContact O-OG 3.35Å
223	D	95.2	Very high	84.1	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-62.6	-39.3	175.7	-63	-30.7	0	0	0	111.4	I152 H156 A161 H162 R163 V165 K220 W225 S226 L227	I152-D223 HydrophobicContact CD1-CB 4.44Å; I152-D223 HydrophobicContact CG2-CB 3.97Å; H156-D223 IonicContact CD2-OD2 3.21Å; H156-D223 IonicContact CE1-OD2 3.33Å; H156-D223 IonicContact NE2-OD2 2.71Å; H156-D223 PolarHBondContact NE2-OD2 3.2Å; A161-D223 WeakPolarHBondContact CA-OD2 3Å; H162-D223 PolarHBondContact N-OD1 3.31Å; H162-D223 PolarHBondContact N-OD2 2.78Å; R163-D223 WeakPolarHBondContact CA-OD1 3.45Å; R163-D223 PolarHBondContact N-OD1 3.04Å; V165-D223 HydrophobicContact CG2-CB 4.38Å; K220-D223 PolarHBondContact O-N 2.67Å; D223-W225 VanDerWaalsContact C-N 3.35Å; D223-W225 PolarHBondContact O-N 3.36Å; D223-S226 WeakPolarHBondContact O-CB 3.39Å; D223-S226 PolarHBondContact O-N 3.04Å; D223-L227 PolarHBondContact O-N 3.24Å
224	M	97.1	Very high	86.5	Confident	4 Å²	4	21.2 Å²	21.2	2%	0.02	11%	0.106	C	C	.	.	H	α-helix	trans	-67.1	-35.7	178.7	-56.6	-51.4	-55.7	0	0	112.4	I152 K220 S221 C222 L227 G228 L283 R291 M292 I294 F297	I152-M224 HydrophobicContact CG2-SD 4.46Å; K220-M224 PolarHBondContact O-N 3.43Å; S221-M224 PolarHBondContact O-N 3.12Å; C222-M224 VanDerWaalsContact C-N 3.3Å; C222-M224 PolarHBondContact O-N 3.2Å; M224-L227 HydrophobicContact CE-CD1 3.8Å; M224-L227 PolarHBondContact O-N 3.26Å; M224-L227 HydrophobicContact SD-CD1 4.01Å; M224-G228 PolarHBondContact O-N 3.41Å; M224-L283 HydrophobicContact CB-CD2 4.48Å; M224-L283 HydrophobicContact CE-CD2 3.65Å; M224-R291 HydrophobicContact CB-CG 4.2Å; M224-M292 WeakPolarHBondContact CB-O 3.42Å; M224-M292 WeakPolarHBondContact CE-O 3.2Å; M224-M292 VanDerWaalsContact CG-O 3.26Å; M224-M292 WeakPolarHBondContact CG-O 3.44Å; M224-I294 HydrophobicContact CE-CB 4.33Å; M224-I294 HydrophobicContact CE-CD1 4.21Å; M224-I294 HydrophobicContact SD-CB 3.79Å; M224-I294 HydrophobicContact SD-CD1 4.11Å; M224-I294 HydrophobicContact SD-CG1 4.49Å; M224-F297 HydrophobicContact CE-CB 3.87Å; M224-F297 HydrophobicContact CE-CG 4.33Å
225	W	93.3	Very high	88.5	Confident	9 Å²	9	20.2 Å²	20.2	3%	0.034	10%	0.095	C	C	.	.	H	α-helix	trans	-63.8	-45.5	171.9	178.2	-84.6	0	0	0	111.3	S221 C222 D223 L227 G228 V229 F241 I257 L284 M341	S221-W225 PolarHBondContact O-N 2.96Å; S221-W225 VanDerWaalsContact O-N 3.07Å; C222-W225 WeakPolarHBondContact O-CB 3.46Å; C222-W225 PolarHBondContact O-N 3.37Å; D223-W225 VanDerWaalsContact C-N 3.35Å; D223-W225 PolarHBondContact O-N 3.36Å; W225-L227 VanDerWaalsContact C-N 3.3Å; W225-L227 PolarHBondContact O-N 3.06Å; W225-G228 WeakPolarHBondContact O-CA 3.49Å; W225-G228 PolarHBondContact O-N 3.34Å; W225-V229 PolarHBondContact O-N 2.81Å; W225-F241 HydrophobicContact CH2-CE2 4.13Å; W225-F241 AromaticContact CH2-CZ 3.61Å; W225-F241 HydrophobicContact CH2-CZ 3.61Å; W225-F241 AromaticContact CZ2-CE2 3.43Å; W225-F241 HydrophobicContact CZ2-CE2 3.43Å; W225-F241 VanDerWaalsContact CZ2-CE2 3.43Å; W225-F241 AromaticContact CZ2-CZ 3.42Å; W225-F241 HydrophobicContact CZ2-CZ 3.42Å; W225-F241 VanDerWaalsContact CZ2-CZ 3.42Å; W225-I257 HydrophobicContact CH2-CG2 4.23Å; W225-I257 HydrophobicContact CZ2-CG2 3.84Å; W225-L284 HydrophobicContact CD2-CD2 3.88Å; W225-L284 HydrophobicContact CE3-CD2 4Å; W225-L284 HydrophobicContact CG-CD2 4.35Å; W225-L284 HydrophobicContact CZ2-CD2 4.38Å; W225-L284 HydrophobicContact CZ3-CB 4.36Å; W225-L284 HydrophobicContact CZ3-CD2 4.32Å; W225-L284 WeakPolarHBondContact CZ3-O 3.46Å; W225-M341 HydrophobicContact CB-CE 3.67Å; W225-M341 HydrophobicContact CB-SD 4.35Å; W225-M341 HydrophobicContact CD2-CE 3.62Å; W225-M341 HydrophobicContact CD2-SD 3.9Å; W225-M341 HydrophobicContact CE3-CE 4.04Å; W225-M341 HydrophobicContact CG-CE 3.45Å; W225-M341 VanDerWaalsContact CG-CE 3.45Å; W225-M341 HydrophobicContact CG-SD 3.67Å
226	S	95.2	Very high	90.1	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.007	8%	0.078	C	C	.	.	H	α-helix	trans	-56.2	-43.1	175.1	-71.2	0	0	0	0	112.4	V165 C222 D223 G228 V229 I230 L338	V165-S226 WeakPolarHBondContact O-CB 3.35Å; V165-S226 PolarHBondContact O-OG 3.31Å; C222-S226 PolarHBondContact O-N 2.94Å; C222-S226 VanDerWaalsContact O-N 3.1Å; C222-S226 PolarHBondContact O-OG 3.35Å; D223-S226 WeakPolarHBondContact O-CB 3.39Å; D223-S226 PolarHBondContact O-N 3.04Å; S226-G228 VanDerWaalsContact C-N 3.29Å; S226-G228 PolarHBondContact O-N 3.39Å; S226-V229 PolarHBondContact O-N 2.98Å; S226-I230 WeakPolarHBondContact O-CB 3.31Å; S226-I230 WeakPolarHBondContact O-CD1 3.46Å; S226-I230 VanDerWaalsContact O-CG1 3.32Å; S226-I230 WeakPolarHBondContact O-CG1 3.39Å; S226-I230 PolarHBondContact O-N 3.49Å; S226-L338 WeakPolarHBondContact OG-CD2 3.46Å
227	L	97.9	Very high	91.5	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-57.7	-42.3	174.3	-70.1	179.5	0	0	0	111.6	M145 I148 I152 D223 M224 W225 M231 L283 I294 F297	M145-L227 HydrophobicContact CE-CB 3.98Å; M145-L227 HydrophobicContact CE-CD2 3.8Å; M145-L227 HydrophobicContact CE-CG 4.45Å; M145-L227 WeakPolarHBondContact CE-O 3.37Å; I148-L227 HydrophobicContact CB-CD2 4.1Å; I148-L227 HydrophobicContact CG2-CD2 3.44Å; I148-L227 VanDerWaalsContact CG2-CD2 3.44Å; I152-L227 HydrophobicContact CG1-CD2 4.38Å; D223-L227 PolarHBondContact O-N 3.24Å; M224-L227 HydrophobicContact CE-CD1 3.8Å; M224-L227 PolarHBondContact O-N 3.26Å; M224-L227 HydrophobicContact SD-CD1 4.01Å; W225-L227 VanDerWaalsContact C-N 3.3Å; W225-L227 PolarHBondContact O-N 3.06Å; L227-M231 WeakPolarHBondContact O-CB 3.4Å; L227-M231 PolarHBondContact O-N 2.91Å; L227-L283 HydrophobicContact CB-CD1 4.42Å; L227-L283 HydrophobicContact CB-CD2 4.42Å; L227-I294 HydrophobicContact CD1-CD1 3.95Å; L227-F297 HydrophobicContact CD1-CD1 4.35Å; L227-F297 HydrophobicContact CD1-CE1 4.3Å; L227-F297 HydrophobicContact CD1-CZ 4.42Å
228	G	96.9	Very high	92.5	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-62.7	-43.2	176.7	0	0	0	0	0	113.2	M224 W225 S226 Y232	M224-G228 PolarHBondContact O-N 3.41Å; W225-G228 WeakPolarHBondContact O-CA 3.49Å; W225-G228 PolarHBondContact O-N 3.34Å; S226-G228 VanDerWaalsContact C-N 3.29Å; S226-G228 PolarHBondContact O-N 3.39Å; G228-Y232 WeakPolarHBondContact O-CB 3.41Å; G228-Y232 PolarHBondContact O-N 2.97Å
229	V	94.1	Very high	93.3	Very high	9 Å²	9	6.1 Å²	6.1	6%	0.055	3%	0.031	C	C	.	.	H	α-helix	trans	-67.5	-45.8	178.3	179.2	0	0	0	0	111.1	W225 S226 M231 Y232 I233 P240 F241 L284 M334	W225-V229 PolarHBondContact O-N 2.81Å; S226-V229 PolarHBondContact O-N 2.98Å; V229-M231 PolarHBondContact O-N 3.44Å; V229-Y232 PolarHBondContact O-N 3.15Å; V229-I233 HydrophobicContact CG1-CD1 3.94Å; V229-I233 WeakPolarHBondContact O-CG1 3.47Å; V229-I233 PolarHBondContact O-N 3.27Å; V229-P240 HydrophobicContact CB-CG 4.5Å; V229-P240 HydrophobicContact CG1-CG 4.21Å; V229-P240 HydrophobicContact CG2-CG 4.23Å; V229-F241 HydrophobicContact CG2-CE2 4.36Å; V229-L284 HydrophobicContact CG2-CD2 3.88Å; V229-M334 HydrophobicContact CB-CE 4.1Å; V229-M334 HydrophobicContact CG1-CE 3.46Å; V229-M334 VanDerWaalsContact CG1-CE 3.46Å; V229-M334 HydrophobicContact CG1-CG 4.28Å; V229-M334 HydrophobicContact CG1-SD 3.9Å
230	I	96.4	Very high	93.3	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-62.9	-43.9	178.2	-69.1	159.7	0	0	0	110.5	F125 M145 I148 V165 L170 S226 Y232 I233 L234 M334	F125-I230 HydrophobicContact CE2-CG2 4.42Å; F125-I230 HydrophobicContact CZ-CG2 4.25Å; M145-I230 HydrophobicContact SD-CG2 4Å; I148-I230 HydrophobicContact CD1-CG2 3.94Å; V165-I230 HydrophobicContact CG1-CD1 3.8Å; L170-I230 HydrophobicContact CD1-CD1 3.83Å; L170-I230 HydrophobicContact CD1-CG2 4.47Å; S226-I230 WeakPolarHBondContact O-CB 3.31Å; S226-I230 WeakPolarHBondContact O-CD1 3.46Å; S226-I230 VanDerWaalsContact O-CG1 3.32Å; S226-I230 WeakPolarHBondContact O-CG1 3.39Å; S226-I230 PolarHBondContact O-N 3.49Å; I230-Y232 VanDerWaalsContact C-N 3.33Å; I230-Y232 PolarHBondContact O-N 3.16Å; I230-I233 PolarHBondContact O-N 3.04Å; I230-L234 HydrophobicContact CG2-CD1 3.9Å; I230-L234 HydrophobicContact CG2-CG 4.25Å; I230-L234 WeakPolarHBondContact O-CB 3.32Å; I230-L234 VanDerWaalsContact O-CG 3.31Å; I230-L234 WeakPolarHBondContact O-CG 3.48Å; I230-L234 PolarHBondContact O-N 3.13Å; I230-M334 HydrophobicContact CG1-CE 4.28Å
231	M	98	Very high	92.5	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-60.4	-42.8	176.9	-174.5	176.1	169.3	0	0	111.6	M145 L227 V229 L234 L235 A276 L279 I280 L283 W302	M145-M231 HydrophobicContact CE-CB 3.87Å; M145-M231 HydrophobicContact CG-CB 4.22Å; M145-M231 HydrophobicContact CG-CG 4.17Å; M145-M231 HydrophobicContact SD-CB 3.83Å; M145-M231 HydrophobicContact SD-CG 4.43Å; L227-M231 WeakPolarHBondContact O-CB 3.4Å; L227-M231 PolarHBondContact O-N 2.91Å; V229-M231 PolarHBondContact O-N 3.44Å; M231-L234 PolarHBondContact O-N 3.16Å; M231-L235 HydrophobicContact CE-CD1 3.96Å; M231-L235 HydrophobicContact CG-CD1 4.22Å; M231-L235 WeakPolarHBondContact O-CG 3.45Å; M231-L235 PolarHBondContact O-N 3.08Å; M231-L235 VanDerWaalsContact O-N 3.15Å; M231-A276 HydrophobicContact CE-CB 3.87Å; M231-A276 WeakPolarHBondContact CE-O 3.19Å; M231-L279 HydrophobicContact CE-CB 4.08Å; M231-L279 HydrophobicContact CE-CD2 3.86Å; M231-L279 HydrophobicContact CE-CG 4.19Å; M231-L279 HydrophobicContact SD-CB 4.37Å; M231-L279 HydrophobicContact SD-CD2 3.81Å; M231-L279 HydrophobicContact SD-CG 3.94Å; M231-I280 HydrophobicContact CB-CG1 4.28Å; M231-I280 HydrophobicContact CE-CD1 4.39Å; M231-I280 HydrophobicContact CE-CG1 4.05Å; M231-I280 HydrophobicContact CG-CD1 4.12Å; M231-I280 HydrophobicContact CG-CG1 3.91Å; M231-I280 HydrophobicContact SD-CD1 4.49Å; M231-I280 HydrophobicContact SD-CG1 3.79Å; M231-L283 HydrophobicContact SD-CD1 4.26Å; M231-W302 HydrophobicContact CE-CD2 4.04Å; M231-W302 HydrophobicContact CE-CE3 3.72Å; M231-W302 HydrophobicContact CE-CH2 3.73Å; M231-W302 HydrophobicContact CE-CZ2 4.04Å; M231-W302 HydrophobicContact CE-CZ3 3.56Å; M231-W302 HydrophobicContact CG-CH2 4.47Å; M231-W302 HydrophobicContact CG-CZ3 4.47Å; M231-W302 HydrophobicContact SD-CE3 4.46Å; M231-W302 HydrophobicContact SD-CZ3 4.04Å
232	Y	96.4	Very high	91.1	Very high	5 Å²	5	7.8 Å²	7.8	2%	0.02	4%	0.036	C	C	.	.	H	α-helix	trans	-59.4	-50.7	176.1	-171	-76	0	0	0	111.2	G228 V229 I230 L234 L235 C236 Y238 P240 Y262 E263 F264 W269 I280	G228-Y232 WeakPolarHBondContact O-CB 3.41Å; G228-Y232 PolarHBondContact O-N 2.97Å; V229-Y232 PolarHBondContact O-N 3.15Å; I230-Y232 VanDerWaalsContact C-N 3.33Å; I230-Y232 PolarHBondContact O-N 3.16Å; Y232-L234 VanDerWaalsContact C-N 3.31Å; Y232-L234 PolarHBondContact O-N 3.49Å; Y232-L235 PolarHBondContact O-N 2.73Å; Y232-L235 VanDerWaalsContact O-N 3.11Å; Y232-C236 WeakPolarHBondContact CE1-SG 3.49Å; Y232-C236 PolarHBondContact O-N 3.18Å; Y232-C236 PolarHBondContact O-SG 3.4Å; Y232-Y238 WeakPolarHBondContact CD1-O 3.13Å; Y232-Y238 AromaticContact CE1-CD2 3.79Å; Y232-Y238 HydrophobicContact CE1-CD2 3.79Å; Y232-Y238 AromaticContact CE1-CE2 3.56Å; Y232-Y238 HydrophobicContact CE1-CE2 3.56Å; Y232-Y238 WeakPolarHBondContact CE1-O 3.39Å; Y232-Y238 AromaticContact CZ-CE2 3.97Å; Y232-Y238 WeakPolarHBondContact OH-CE2 3.32Å; Y232-P240 HydrophobicContact CD1-CB 3.81Å; Y232-P240 HydrophobicContact CD1-CG 4.18Å; Y232-P240 HydrophobicContact CD2-CB 3.68Å; Y232-P240 HydrophobicContact CD2-CG 4.46Å; Y232-P240 HydrophobicContact CE1-CB 3.99Å; Y232-P240 HydrophobicContact CE2-CB 3.87Å; Y232-P240 HydrophobicContact CG-CB 3.65Å; Y232-P240 HydrophobicContact CG-CG 4.03Å; Y232-Y262 HydrophobicContact CD2-CD2 4.44Å; Y232-Y262 HydrophobicContact CE2-CD2 4.05Å; Y232-E263 WeakPolarHBondContact CE2-O 3.44Å; Y232-E263 PolarHBondContact OH-O 3.04Å; Y232-F264 HydrophobicContact CD2-CD1 4.34Å; Y232-F264 AromaticContact CD2-CE1 3.96Å; Y232-F264 HydrophobicContact CD2-CE1 3.96Å; Y232-F264 AromaticContact CE2-CD1 3.78Å; Y232-F264 HydrophobicContact CE2-CD1 3.78Å; Y232-F264 AromaticContact CE2-CE1 3.8Å; Y232-F264 HydrophobicContact CE2-CE1 3.8Å; Y232-W269 AromaticContact CD1-CZ2 3.92Å; Y232-W269 HydrophobicContact CD1-CZ2 3.92Å; Y232-W269 AromaticContact CD2-CH2 3.83Å; Y232-W269 HydrophobicContact CD2-CH2 3.83Å; Y232-W269 AromaticContact CD2-CZ2 3.53Å; Y232-W269 HydrophobicContact CD2-CZ2 3.53Å; Y232-W269 AromaticContact CE1-CZ2 3.84Å; Y232-W269 HydrophobicContact CE1-CZ2 3.84Å; Y232-W269 HydrophobicContact CE2-CH2 4.09Å; Y232-W269 AromaticContact CE2-CZ2 3.45Å; Y232-W269 HydrophobicContact CE2-CZ2 3.45Å; Y232-W269 VanDerWaalsContact CE2-CZ2 3.45Å; Y232-W269 HydrophobicContact CG-CH2 4.17Å; Y232-W269 AromaticContact CG-CZ2 3.77Å; Y232-W269 HydrophobicContact CG-CZ2 3.77Å; Y232-W269 AromaticContact CZ-CE2 3.91Å; Y232-W269 AromaticContact CZ-CZ2 3.6Å; Y232-W269 AromaticContact CZ-NE1 3.84Å; Y232-I280 HydrophobicContact CD2-CD1 4.25Å; Y232-I280 HydrophobicContact CD2-CG2 4.13Å
233	I	94.4	Very high	89.3	Confident	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-63.2	-38.2	178.9	-59.1	165.7	0	0	0	110.9	F125 V229 I230 L235 G237 P239 W327 V330 M334	F125-I233 HydrophobicContact CD1-CG2 4.03Å; F125-I233 HydrophobicContact CE1-CB 3.96Å; F125-I233 HydrophobicContact CE1-CG2 3.33Å; F125-I233 HydrophobicContact CZ-CB 3.93Å; F125-I233 HydrophobicContact CZ-CG2 3.7Å; V229-I233 HydrophobicContact CG1-CD1 3.94Å; V229-I233 WeakPolarHBondContact O-CG1 3.47Å; V229-I233 PolarHBondContact O-N 3.27Å; I230-I233 PolarHBondContact O-N 3.04Å; I233-L235 PolarHBondContact O-N 3.11Å; I233-G237 WeakPolarHBondContact O-CA 3.43Å; I233-G237 PolarHBondContact O-N 3.37Å; I233-P239 HydrophobicContact CD1-CB 4.4Å; I233-P239 HydrophobicContact CG1-CB 4.35Å; I233-W327 HydrophobicContact CG2-CH2 3.88Å; I233-W327 HydrophobicContact CG2-CZ3 3.7Å; I233-V330 HydrophobicContact CD1-CG1 4.4Å; I233-M334 HydrophobicContact CD1-CE 4.39Å; I233-M334 HydrophobicContact CD1-SD 3.6Å; I233-M334 VanDerWaalsContact CD1-SD 3.6Å
234	L	96.1	Very high	86.8	Confident	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60.8	-34.1	176.4	-76.6	170.8	0	0	0	112.2	L124 F125 I128 F136 A141 I144 M145 I230 M231 Y232 T316	L124-L234 HydrophobicContact CD2-CD2 4.35Å; F125-L234 HydrophobicContact CE1-CD2 3.81Å; F125-L234 HydrophobicContact CE1-CG 4.11Å; F125-L234 HydrophobicContact CZ-CD2 4.03Å; F125-L234 HydrophobicContact CZ-CG 4.02Å; I128-L234 HydrophobicContact CD1-CD2 3.41Å; I128-L234 VanDerWaalsContact CD1-CD2 3.41Å; F136-L234 HydrophobicContact CE1-CD2 4.28Å; F136-L234 VanDerWaalsContact CE1-O 3.3Å; F136-L234 WeakPolarHBondContact CE1-O 3.21Å; F136-L234 HydrophobicContact CZ-CD2 4.07Å; A141-L234 HydrophobicContact CB-CB 4.24Å; I144-L234 HydrophobicContact CB-CD1 4.36Å; I144-L234 HydrophobicContact CD1-CD2 4.42Å; I144-L234 HydrophobicContact CG2-CD1 3.63Å; I144-L234 HydrophobicContact CG2-CD2 4.31Å; M145-L234 HydrophobicContact CG-CD1 3.83Å; M145-L234 HydrophobicContact SD-CD1 3.61Å; I230-L234 HydrophobicContact CG2-CD1 3.9Å; I230-L234 HydrophobicContact CG2-CG 4.25Å; I230-L234 WeakPolarHBondContact O-CB 3.32Å; I230-L234 VanDerWaalsContact O-CG 3.31Å; I230-L234 WeakPolarHBondContact O-CG 3.48Å; I230-L234 PolarHBondContact O-N 3.13Å; M231-L234 PolarHBondContact O-N 3.16Å; Y232-L234 VanDerWaalsContact C-N 3.31Å; Y232-L234 PolarHBondContact O-N 3.49Å; L234-T316 WeakPolarHBondContact O-CB 3.02Å; L234-T316 VanDerWaalsContact O-CG2 3.24Å; L234-T316 WeakPolarHBondContact O-CG2 3.45Å; L234-T316 PolarHBondContact O-OG1 3.36Å
235	L	96.6	Very high	84.3	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-83.7	-27.4	-175.8	-67.7	174.4	0	0	0	114	E138 A141 M231 Y232 I233 W269 V272 A276 I280 W302 L314 T316	E138-L235 HydrophobicContact CG-CD2 4.03Å; A141-L235 HydrophobicContact CB-CD2 3.96Å; M231-L235 HydrophobicContact CE-CD1 3.96Å; M231-L235 HydrophobicContact CG-CD1 4.22Å; M231-L235 WeakPolarHBondContact O-CG 3.45Å; M231-L235 PolarHBondContact O-N 3.08Å; M231-L235 VanDerWaalsContact O-N 3.15Å; Y232-L235 PolarHBondContact O-N 2.73Å; Y232-L235 VanDerWaalsContact O-N 3.11Å; I233-L235 PolarHBondContact O-N 3.11Å; L235-W269 HydrophobicContact CB-CH2 3.71Å; L235-W269 HydrophobicContact CB-CZ2 4.27Å; L235-W269 HydrophobicContact CB-CZ3 4.03Å; L235-W269 HydrophobicContact CD1-CH2 3.97Å; L235-W269 HydrophobicContact CD1-CZ3 3.9Å; L235-W269 HydrophobicContact CG-CH2 4.48Å; L235-V272 HydrophobicContact CD1-CG1 4.02Å; L235-V272 HydrophobicContact CD2-CG1 4.47Å; L235-A276 HydrophobicContact CD1-CB 3.88Å; L235-I280 HydrophobicContact CD1-CD1 3.87Å; L235-W302 HydrophobicContact CD2-CZ2 4.21Å; L235-L314 HydrophobicContact CD2-CD1 3.94Å; L235-L314 HydrophobicContact CD2-CD2 4.18Å; L235-T316 PolarHBondContact O-OG1 3.04Å
236	C	92.8	Very high	81.8	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-128.1	-11.8	-177.4	67.1	0	0	0	0	115.6	Y232 Y238 E268 W269	Y232-C236 WeakPolarHBondContact CE1-SG 3.49Å; Y232-C236 PolarHBondContact O-N 3.18Å; Y232-C236 PolarHBondContact O-SG 3.4Å; C236-Y238 HydrophobicContact CB-CD1 3.96Å; C236-Y238 HydrophobicContact CB-CD2 4.49Å; C236-Y238 HydrophobicContact CB-CE1 3.64Å; C236-Y238 HydrophobicContact CB-CE2 4.25Å; C236-Y238 HydrophobicContact CB-CG 4.36Å; C236-Y238 WeakPolarHBondContact O-CD1 3.47Å; C236-Y238 WeakPolarHBondContact SG-CD2 3.22Å; C236-Y238 WeakPolarHBondContact SG-CE2 3.11Å; C236-Y238 VanDerWaalsContact SG-CG 3.58Å; C236-Y238 VanDerWaalsContact SG-CZ 3.53Å; C236-Y238 PolarHBondContact SG-O 3.41Å; C236-E268 HydrophobicContact CB-CB 3.95Å; C236-W269 HydrophobicContact CB-CZ2 3.89Å; C236-W269 VanDerWaalsContact CB-NE1 3.3Å
237	G	90.9	Very high	79.1	Confident	3 Å²	3	30.4 Å²	30.4	3%	0.031	17%	0.17	C	C	.	.	S	Bend	trans	92.5	5.7	178.3	0	0	0	0	0	115.3	I233 L320	I233-G237 WeakPolarHBondContact O-CA 3.43Å; I233-G237 PolarHBondContact O-N 3.37Å; G237-L320 VanDerWaalsContact O-CD2 3.25Å; G237-L320 WeakPolarHBondContact O-CD2 3.39Å
238	Y	87.8	Confident	76.3	Confident	18 Å²	18	32.7 Å²	32.7	7%	0.071	19%	0.189	C	C	.	.	S	Bend	trans	-154.1	143.3	-158.3	82.6	-135.1	0	0	0	109.1	Y232 C236 Y242 P265 E268 W269 V319	Y232-Y238 WeakPolarHBondContact CD1-O 3.13Å; Y232-Y238 AromaticContact CE1-CD2 3.79Å; Y232-Y238 HydrophobicContact CE1-CD2 3.79Å; Y232-Y238 AromaticContact CE1-CE2 3.56Å; Y232-Y238 HydrophobicContact CE1-CE2 3.56Å; Y232-Y238 WeakPolarHBondContact CE1-O 3.39Å; Y232-Y238 AromaticContact CZ-CE2 3.97Å; Y232-Y238 WeakPolarHBondContact OH-CE2 3.32Å; C236-Y238 HydrophobicContact CB-CD1 3.96Å; C236-Y238 HydrophobicContact CB-CD2 4.49Å; C236-Y238 HydrophobicContact CB-CE1 3.64Å; C236-Y238 HydrophobicContact CB-CE2 4.25Å; C236-Y238 HydrophobicContact CB-CG 4.36Å; C236-Y238 WeakPolarHBondContact O-CD1 3.47Å; C236-Y238 WeakPolarHBondContact SG-CD2 3.22Å; C236-Y238 WeakPolarHBondContact SG-CE2 3.11Å; C236-Y238 VanDerWaalsContact SG-CG 3.58Å; C236-Y238 VanDerWaalsContact SG-CZ 3.53Å; C236-Y238 PolarHBondContact SG-O 3.41Å; Y238-Y242 WeakPolarHBondContact CA-OH 3.45Å; Y238-Y242 WeakPolarHBondContact CB-OH 3.18Å; Y238-Y242 AromaticContact CD2-CE2 3.29Å; Y238-Y242 HydrophobicContact CD2-CE2 3.29Å; Y238-Y242 AromaticContact CD2-CZ 3.54Å; Y238-Y242 WeakPolarHBondContact CD2-OH 3.49Å; Y238-Y242 AromaticContact CE2-CE2 3.75Å; Y238-Y242 HydrophobicContact CE2-CE2 3.75Å; Y238-Y242 HydrophobicContact CG-CE2 4.11Å; Y238-Y242 AromaticContact CG-CZ 3.93Å; Y238-P265 VanDerWaalsContact OH-CD 3.25Å; Y238-P265 WeakPolarHBondContact OH-CD 3.3Å; Y238-P265 WeakPolarHBondContact OH-CG 3.33Å; Y238-E268 HydrophobicContact CE1-CB 4.02Å; Y238-E268 HydrophobicContact CE1-CG 3.88Å; Y238-W269 AromaticContact CZ-NE1 3.71Å; Y238-W269 PolarHBondContact OH-NE1 3.49Å; Y238-V319 HydrophobicContact CD1-CG1 4.15Å
239	P	87.8	Confident	73.8	Confident	10 Å²	10	38.2 Å²	38.2	7%	0.065	22%	0.217	C	C	.	.			trans	-68.2	154.6	-173.3	26.2	-39.6	0	0	0	115.9	I233 F241 Y242 V330	I233-P239 HydrophobicContact CD1-CB 4.4Å; I233-P239 HydrophobicContact CG1-CB 4.35Å; P239-F241 PolarHBondContact O-N 3.49Å; P239-Y242 WeakPolarHBondContact CD-OH 3.09Å; P239-Y242 HydrophobicContact CG-CE1 4.06Å; P239-Y242 WeakPolarHBondContact O-CD2 3.37Å; P239-Y242 WeakPolarHBondContact O-CE2 3.41Å; P239-V330 HydrophobicContact CB-CG1 4.11Å; P239-V330 HydrophobicContact CG-CB 4.4Å; P239-V330 HydrophobicContact CG-CG1 3.82Å; P239-V330 HydrophobicContact CG-CG2 3.74Å
240	P	83.3	Confident	71.6	Confident	7 Å²	7	39 Å²	39	5%	0.045	22%	0.223	C	C	.	.	S	Bend	trans	-67.7	-18.1	179.5	22	-29.1	0	0	0	114.7	V229 Y232 Y262 L284	V229-P240 HydrophobicContact CB-CG 4.5Å; V229-P240 HydrophobicContact CG1-CG 4.21Å; V229-P240 HydrophobicContact CG2-CG 4.23Å; Y232-P240 HydrophobicContact CD1-CB 3.81Å; Y232-P240 HydrophobicContact CD1-CG 4.18Å; Y232-P240 HydrophobicContact CD2-CB 3.68Å; Y232-P240 HydrophobicContact CD2-CG 4.46Å; Y232-P240 HydrophobicContact CE1-CB 3.99Å; Y232-P240 HydrophobicContact CE2-CB 3.87Å; Y232-P240 HydrophobicContact CG-CB 3.65Å; Y232-P240 HydrophobicContact CG-CG 4.03Å; P240-Y262 HydrophobicContact CB-CD2 4.5Å; P240-Y262 HydrophobicContact CB-CG 4.28Å; P240-Y262 WeakPolarHBondContact O-CB 3.26Å; P240-L284 HydrophobicContact CB-CD1 4.14Å; P240-L284 HydrophobicContact CG-CD1 4.12Å
241	F	74.1	Confident	69.3	Low	13 Å²	13	44.7 Å²	44.7	6%	0.057	26%	0.26	C	S	.	.			trans	-118.2	110.3	-178.2	-47.2	-72.5	0	0	0	107.6	W225 V229 P239 M253 R256 I257 Y262 L284	W225-F241 HydrophobicContact CH2-CE2 4.13Å; W225-F241 AromaticContact CH2-CZ 3.61Å; W225-F241 HydrophobicContact CH2-CZ 3.61Å; W225-F241 AromaticContact CZ2-CE2 3.43Å; W225-F241 HydrophobicContact CZ2-CE2 3.43Å; W225-F241 VanDerWaalsContact CZ2-CE2 3.43Å; W225-F241 AromaticContact CZ2-CZ 3.42Å; W225-F241 HydrophobicContact CZ2-CZ 3.42Å; W225-F241 VanDerWaalsContact CZ2-CZ 3.42Å; V229-F241 HydrophobicContact CG2-CE2 4.36Å; P239-F241 PolarHBondContact O-N 3.49Å; F241-M253 HydrophobicContact CB-SD 3.4Å; F241-M253 WeakPolarHBondContact CB-SD 3.3Å; F241-M253 WeakPolarHBondContact O-CE 3.38Å; F241-R256 HydrophobicContact CD1-CB 4.44Å; F241-I257 HydrophobicContact CB-CG1 4.04Å; F241-I257 HydrophobicContact CD1-CG1 3.9Å; F241-I257 HydrophobicContact CD2-CD1 4.26Å; F241-I257 HydrophobicContact CD2-CG1 3.62Å; F241-I257 HydrophobicContact CE1-CG1 4.28Å; F241-I257 HydrophobicContact CE2-CG1 4.04Å; F241-I257 HydrophobicContact CG-CD1 4.39Å; F241-I257 HydrophobicContact CG-CG1 3.56Å; F241-I257 HydrophobicContact CZ-CG1 4.35Å; F241-Y262 AromaticContact CE1-CD1 3.95Å; F241-Y262 HydrophobicContact CE1-CD1 3.95Å; F241-Y262 HydrophobicContact CE1-CG 4.45Å; F241-Y262 HydrophobicContact CZ-CD1 4.33Å; F241-L284 HydrophobicContact CZ-CD1 4.49Å
242	Y	60	Low	67.1	Low	82 Å²	82	45.9 Å²	45.9	32%	0.322	27%	0.272	S	S	.	.			trans	-101.6	164.4	170.4	-77.5	-76.2	0	0	0	112.1	Y238 P239 R256	Y238-Y242 WeakPolarHBondContact CA-OH 3.45Å; Y238-Y242 WeakPolarHBondContact CB-OH 3.18Å; Y238-Y242 AromaticContact CD2-CE2 3.29Å; Y238-Y242 HydrophobicContact CD2-CE2 3.29Å; Y238-Y242 AromaticContact CD2-CZ 3.54Å; Y238-Y242 WeakPolarHBondContact CD2-OH 3.49Å; Y238-Y242 AromaticContact CE2-CE2 3.75Å; Y238-Y242 HydrophobicContact CE2-CE2 3.75Å; Y238-Y242 HydrophobicContact CG-CE2 4.11Å; Y238-Y242 AromaticContact CG-CZ 3.93Å; P239-Y242 WeakPolarHBondContact CD-OH 3.09Å; P239-Y242 HydrophobicContact CG-CE1 4.06Å; P239-Y242 WeakPolarHBondContact O-CD2 3.37Å; P239-Y242 WeakPolarHBondContact O-CE2 3.41Å; Y242-R256 PolarHBondContact O-NE 2.7Å; Y242-R256 PolarHBondContact O-NH2 2.73Å
243	S	51.7	Low	65.1	Low	18 Å²	18	46.3 Å²	46.3	13%	0.126	28%	0.275	C	S	.	.			trans	-91.9	136.6	156.1	88.9	0	0	0	0	108.2	H245 G246 L247	S243-H245 PolarHBondContact O-N 2.9Å; S243-G246 PolarHBondContact OG-N 3.26Å; S243-L247 WeakPolarHBondContact CB-O 3.32Å; S243-L247 PolarHBondContact OG-N 3.34Å; S243-L247 VanDerWaalsContact OG-N 3.14Å; S243-L247 PolarHBondContact OG-O 2.82Å
244	N	41.7	Very low	63.3	Low	124 Å²	124	51.5 Å²	51.5	66%	0.663	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-0.5	-179.4	-80.8	28.4	0	0	0	112.4	R256	N244-R256 VanDerWaalsContact OD1-CZ 3.29Å; N244-R256 PolarHBondContact OD1-NH1 3.39Å; N244-R256 PolarHBondContact OD1-NH2 3.29Å
245	H	45	Very low	61.6	Low	158 Å²	158	57.1 Å²	57.1	73%	0.731	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131	14.4	-166	-70.9	17.5	0	0	0	112.8	S243 L247	S243-H245 PolarHBondContact O-N 2.9Å; H245-L247 PolarHBondContact O-N 3.08Å
246	G	41	Very low	60	Low	74 Å²	74	59.4 Å²	59.4	76%	0.763	33%	0.33	S	S	*	.	S	Bend	trans	62.4	15.4	177.7	0	0	0	0	0	114.5	S243	S243-G246 PolarHBondContact OG-N 3.26Å
247	L	38.6	Very low	58.6	Low	117 Å²	117	61 Å²	61	61%	0.613	34%	0.338	S	S	*	.			trans	-100	118.4	173.4	-69.1	171.4	0	0	0	108.4	S243 H245 I249	S243-L247 WeakPolarHBondContact CB-O 3.32Å; S243-L247 PolarHBondContact OG-N 3.34Å; S243-L247 VanDerWaalsContact OG-N 3.14Å; S243-L247 PolarHBondContact OG-O 2.82Å; H245-L247 PolarHBondContact O-N 3.08Å; L247-I249 PolarHBondContact O-N 2.93Å
248	A	39.8	Very low	57.1	Low	49 Å²	49	70.6 Å²	70.6	41%	0.405	37%	0.374	S	S	.	.	S	Bend	trans	-52.7	123.5	161.5	0	0	0	0	0	107.8
249	I	44.4	Very low	55.9	Low	116 Å²	116	74.5 Å²	74.5	60%	0.595	39%	0.394	S	S	*	.			trans	66.5	72.2	-175	-38.7	175.7	0	0	0	114.8	L247 E333	L247-I249 PolarHBondContact O-N 2.93Å; I249-E333 PolarHBondContact N-OE1 3.48Å
250	S	46.6	Very low	54.7	Low	26 Å²	26	75.1 Å²	75.1	18%	0.182	40%	0.402	C	S	.	.			trans	-81.9	145.4	150.2	73.5	0	0	0	0	110	G252 M253	S250-G252 PolarHBondContact O-N 3.44Å; S250-G252 PolarHBondContact OG-N 2.62Å; S250-M253 WeakPolarHBondContact O-CB 3.33Å; S250-M253 PolarHBondContact O-N 3.47Å; S250-M253 PolarHBondContact OG-N 3.22Å
251	P	48.5	Very low	54.3	Low	118 Å²	118	79.8 Å²	79.8	77%	0.766	42%	0.423	S	S	*	.	H	α-helix	trans	-49.5	-24.1	164.5	-27.3	34.8	0	0	0	113.2	K255	P251-K255 WeakPolarHBondContact O-CB 3.42Å; P251-K255 PolarHBondContact O-N 3.07Å
252	G	51.1	Low	54.7	Low	26 Å²	26	81.1 Å²	81.1	27%	0.268	43%	0.428	S	S	.	.	H	α-helix	trans	-63.2	-34.5	173.1	0	0	0	0	0	114.3	S250 K255 R256	S250-G252 PolarHBondContact O-N 3.44Å; S250-G252 PolarHBondContact OG-N 2.62Å; G252-K255 PolarHBondContact O-N 3.27Å; G252-R256 WeakPolarHBondContact O-CB 3.37Å; G252-R256 WeakPolarHBondContact O-CG 3.25Å; G252-R256 PolarHBondContact O-N 3.1Å
253	M	55.7	Low	56.1	Low	13 Å²	13	84.5 Å²	84.5	6%	0.064	45%	0.447	C	S	.	.	H	α-helix	trans	-65.9	-54.2	-178.5	-172.1	72.4	88.2	0	0	112.1	F241 S250 K255 R256 I257 E333	F241-M253 HydrophobicContact CB-SD 3.4Å; F241-M253 WeakPolarHBondContact CB-SD 3.3Å; F241-M253 WeakPolarHBondContact O-CE 3.38Å; S250-M253 WeakPolarHBondContact O-CB 3.33Å; S250-M253 PolarHBondContact O-N 3.47Å; S250-M253 PolarHBondContact OG-N 3.22Å; M253-K255 PolarHBondContact O-N 2.83Å; M253-R256 PolarHBondContact O-N 2.83Å; M253-R256 VanDerWaalsContact O-N 3.1Å; M253-I257 HydrophobicContact CG-CD1 4.34Å; M253-I257 WeakPolarHBondContact O-CG1 3.42Å; M253-I257 PolarHBondContact O-N 3.09Å; M253-E333 VanDerWaalsContact CE-OE2 3.25Å; M253-E333 WeakPolarHBondContact CE-OE2 3.39Å
254	K	56.9	Low	58	Low	109 Å²	109	85.4 Å²	85.4	47%	0.474	45%	0.449	S	S	.	.	H	α-helix	trans	-60.5	-35.9	176.3	-70.2	-178.3	179.5	177.1	0	111.4	R258	K254-R258 WeakPolarHBondContact O-CB 3.26Å; K254-R258 VanDerWaalsContact O-CG 3.27Å; K254-R258 WeakPolarHBondContact O-CG 3.24Å; K254-R258 PolarHBondContact O-N 3.2Å
255	K	59.1	Low	60.3	Low	118 Å²	118	82.1 Å²	82.1	51%	0.513	43%	0.434	S	S	.	.	H	α-helix	trans	-65.3	-44.7	174.3	-174.2	179.4	179	-174.5	0	111.3	P251 G252 M253 R258 M259	P251-K255 WeakPolarHBondContact O-CB 3.42Å; P251-K255 PolarHBondContact O-N 3.07Å; G252-K255 PolarHBondContact O-N 3.27Å; M253-K255 PolarHBondContact O-N 2.83Å; K255-R258 PolarHBondContact O-N 3.14Å; K255-M259 HydrophobicContact CD-CE 4.15Å; K255-M259 HydrophobicContact CD-SD 4.17Å; K255-M259 VanDerWaalsContact CE-SD 3.52Å; K255-M259 HydrophobicContact CG-CE 3.81Å; K255-M259 HydrophobicContact CG-CG 4.3Å; K255-M259 HydrophobicContact CG-SD 3.62Å; K255-M259 VanDerWaalsContact O-CB 3.26Å; K255-M259 WeakPolarHBondContact O-CB 3.43Å; K255-M259 WeakPolarHBondContact O-CG 3.42Å; K255-M259 PolarHBondContact O-N 3.03Å
256	R	63	Low	62.4	Low	49 Å²	49	80.4 Å²	80.4	19%	0.185	43%	0.43	C	S	.	.	H	α-helix	trans	-63.2	-43.5	176.8	-81.3	-168.4	-94.2	-116.6	9.4	112.8	F241 Y242 N244 G252 M253 R258 M259 G260 Q261	F241-R256 HydrophobicContact CD1-CB 4.44Å; Y242-R256 PolarHBondContact O-NE 2.7Å; Y242-R256 PolarHBondContact O-NH2 2.73Å; N244-R256 VanDerWaalsContact OD1-CZ 3.29Å; N244-R256 PolarHBondContact OD1-NH1 3.39Å; N244-R256 PolarHBondContact OD1-NH2 3.29Å; G252-R256 WeakPolarHBondContact O-CB 3.37Å; G252-R256 WeakPolarHBondContact O-CG 3.25Å; G252-R256 PolarHBondContact O-N 3.1Å; M253-R256 PolarHBondContact O-N 2.83Å; M253-R256 VanDerWaalsContact O-N 3.1Å; R256-R258 PolarHBondContact O-N 2.82Å; R256-M259 CarbonylContact O-C 3.51Å; R256-M259 PolarHBondContact O-N 3.01Å; R256-G260 WeakPolarHBondContact O-CA 3.39Å; R256-G260 PolarHBondContact O-N 3.28Å; R256-Q261 HydrophobicContact CB-CB 4.31Å; R256-Q261 HydrophobicContact CG-CB 4.04Å; R256-Q261 PolarHBondContact O-N 3.39Å
257	I	63	Low	64.9	Low	32 Å²	32	80.3 Å²	80.3	16%	0.164	42%	0.416	C	S	.	.	H	α-helix	trans	-57.6	-49.5	172.8	-70.2	168.8	0	0	0	110.2	W225 F241 M253 M259 G260 A337	W225-I257 HydrophobicContact CH2-CG2 4.23Å; W225-I257 HydrophobicContact CZ2-CG2 3.84Å; F241-I257 HydrophobicContact CB-CG1 4.04Å; F241-I257 HydrophobicContact CD1-CG1 3.9Å; F241-I257 HydrophobicContact CD2-CD1 4.26Å; F241-I257 HydrophobicContact CD2-CG1 3.62Å; F241-I257 HydrophobicContact CE1-CG1 4.28Å; F241-I257 HydrophobicContact CE2-CG1 4.04Å; F241-I257 HydrophobicContact CG-CD1 4.39Å; F241-I257 HydrophobicContact CG-CG1 3.56Å; F241-I257 HydrophobicContact CZ-CG1 4.35Å; M253-I257 HydrophobicContact CG-CD1 4.34Å; M253-I257 WeakPolarHBondContact O-CG1 3.42Å; M253-I257 PolarHBondContact O-N 3.09Å; I257-M259 VanDerWaalsContact C-N 3.28Å; I257-M259 PolarHBondContact O-N 3.15Å; I257-G260 PolarHBondContact O-N 2.73Å; I257-A337 HydrophobicContact CD1-CB 4.24Å
258	R	60.8	Low	67.5	Low	206 Å²	206	76.1 Å²	76.1	78%	0.777	39%	0.393	S	S	*	.	H	α-helix	trans	-63.9	-32.2	177.8	-74.5	177.5	-178.8	-174.5	0.1	113.4	K254 K255 R256 T286	K254-R258 WeakPolarHBondContact O-CB 3.26Å; K254-R258 VanDerWaalsContact O-CG 3.27Å; K254-R258 WeakPolarHBondContact O-CG 3.24Å; K254-R258 PolarHBondContact O-N 3.2Å; K255-R258 PolarHBondContact O-N 3.14Å; R256-R258 PolarHBondContact O-N 2.82Å; R258-T286 WeakPolarHBondContact O-CG2 3.4Å
259	M	62.4	Low	70.2	Confident	99 Å²	99	73.9 Å²	73.9	49%	0.488	37%	0.374	S	S	.	.	H	α-helix	trans	-91.4	-4.5	180	-68.4	-177.8	170.2	0	0	113	K255 R256 I257 Q261	K255-M259 HydrophobicContact CD-CE 4.15Å; K255-M259 HydrophobicContact CD-SD 4.17Å; K255-M259 VanDerWaalsContact CE-SD 3.52Å; K255-M259 HydrophobicContact CG-CE 3.81Å; K255-M259 HydrophobicContact CG-CG 4.3Å; K255-M259 HydrophobicContact CG-SD 3.62Å; K255-M259 VanDerWaalsContact O-CB 3.26Å; K255-M259 WeakPolarHBondContact O-CB 3.43Å; K255-M259 WeakPolarHBondContact O-CG 3.42Å; K255-M259 PolarHBondContact O-N 3.03Å; R256-M259 CarbonylContact O-C 3.51Å; R256-M259 PolarHBondContact O-N 3.01Å; I257-M259 VanDerWaalsContact C-N 3.28Å; I257-M259 PolarHBondContact O-N 3.15Å; M259-Q261 HydrophobicContact CB-CG 3.8Å; M259-Q261 PolarHBondContact O-N 3.2Å
260	G	62.8	Low	72.5	Confident	23 Å²	23	71.1 Å²	71.1	24%	0.237	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	27.4	-176.5	0	0	0	0	0	113.4	R256 I257 Y262	R256-G260 WeakPolarHBondContact O-CA 3.39Å; R256-G260 PolarHBondContact O-N 3.28Å; I257-G260 PolarHBondContact O-N 2.73Å; G260-Y262 WeakPolarHBondContact O-CD1 3.28Å; G260-Y262 PolarHBondContact O-N 3.33Å
261	Q	74.3	Confident	74.8	Confident	105 Å²	105	76 Å²	76	49%	0.491	39%	0.385	S	S	.	.			trans	-89.5	99.5	-174.5	-73.4	175.3	-9.7	0	0	110	R256 M259	R256-Q261 HydrophobicContact CB-CB 4.31Å; R256-Q261 HydrophobicContact CG-CB 4.04Å; R256-Q261 PolarHBondContact O-N 3.39Å; M259-Q261 HydrophobicContact CB-CG 3.8Å; M259-Q261 PolarHBondContact O-N 3.2Å
262	Y	82.9	Confident	77	Confident	41 Å²	41	70.7 Å²	70.7	16%	0.161	35%	0.351	C	S	.	.			trans	-142.2	160.5	170	64.3	-85.3	0	0	0	109.3	Y232 P240 F241 G260 F264 I280 R281 L284	Y232-Y262 HydrophobicContact CD2-CD2 4.44Å; Y232-Y262 HydrophobicContact CE2-CD2 4.05Å; P240-Y262 HydrophobicContact CB-CD2 4.5Å; P240-Y262 HydrophobicContact CB-CG 4.28Å; P240-Y262 WeakPolarHBondContact O-CB 3.26Å; F241-Y262 AromaticContact CE1-CD1 3.95Å; F241-Y262 HydrophobicContact CE1-CD1 3.95Å; F241-Y262 HydrophobicContact CE1-CG 4.45Å; F241-Y262 HydrophobicContact CZ-CD1 4.33Å; G260-Y262 WeakPolarHBondContact O-CD1 3.28Å; G260-Y262 PolarHBondContact O-N 3.33Å; Y262-F264 HydrophobicContact CD2-CZ 4.41Å; Y262-F264 HydrophobicContact CE2-CE1 4.18Å; Y262-F264 HydrophobicContact CE2-CE2 4.18Å; Y262-F264 AromaticContact CE2-CZ 3.71Å; Y262-F264 HydrophobicContact CE2-CZ 3.71Å; Y262-I280 HydrophobicContact CE2-CG2 3.89Å; Y262-R281 WeakPolarHBondContact OH-CA 3.14Å; Y262-L284 HydrophobicContact CD1-CD1 4.31Å; Y262-L284 HydrophobicContact CE1-CB 3.69Å; Y262-L284 HydrophobicContact CE1-CD1 3.92Å; Y262-L284 HydrophobicContact CE1-CG 4.48Å; Y262-L284 HydrophobicContact CE2-CD1 4.21Å
263	E	88.1	Confident	79.1	Confident	154 Å²	154	70.2 Å²	70.2	72%	0.72	34%	0.344	S	S	*	.			trans	-131.6	173.3	-177.7	-65.3	-178.9	175.2	0	0	110.1	Y232 P265	Y232-E263 WeakPolarHBondContact CE2-O 3.44Å; Y232-E263 PolarHBondContact OH-O 3.04Å; E263-P265 WeakPolarHBondContact O-CD 3.32Å
264	F	93.1	Very high	81	Confident	37 Å²	37	74.2 Å²	74.2	16%	0.162	36%	0.362	C	S	.	.			trans	-117.7	76.8	176	-59.3	-69.9	0	0	0	108.3	Y232 Y262 W269 K277 I280 R281	Y232-F264 HydrophobicContact CD2-CD1 4.34Å; Y232-F264 AromaticContact CD2-CE1 3.96Å; Y232-F264 HydrophobicContact CD2-CE1 3.96Å; Y232-F264 AromaticContact CE2-CD1 3.78Å; Y232-F264 HydrophobicContact CE2-CD1 3.78Å; Y232-F264 AromaticContact CE2-CE1 3.8Å; Y232-F264 HydrophobicContact CE2-CE1 3.8Å; Y262-F264 HydrophobicContact CD2-CZ 4.41Å; Y262-F264 HydrophobicContact CE2-CE1 4.18Å; Y262-F264 HydrophobicContact CE2-CE2 4.18Å; Y262-F264 AromaticContact CE2-CZ 3.71Å; Y262-F264 HydrophobicContact CE2-CZ 3.71Å; F264-W269 HydrophobicContact CB-CB 3.79Å; F264-W269 HydrophobicContact CB-CD2 3.77Å; F264-W269 HydrophobicContact CB-CE3 4.08Å; F264-W269 HydrophobicContact CB-CG 3.63Å; F264-W269 AromaticContact CD1-CD2 3.48Å; F264-W269 HydrophobicContact CD1-CD2 3.48Å; F264-W269 VanDerWaalsContact CD1-CD2 3.48Å; F264-W269 AromaticContact CD1-CE2 3.68Å; F264-W269 AromaticContact CD1-CE3 3.34Å; F264-W269 HydrophobicContact CD1-CE3 3.34Å; F264-W269 HydrophobicContact CD1-CG 4.26Å; F264-W269 AromaticContact CD1-CH2 3.65Å; F264-W269 HydrophobicContact CD1-CH2 3.65Å; F264-W269 AromaticContact CD1-CZ2 3.78Å; F264-W269 HydrophobicContact CD1-CZ2 3.78Å; F264-W269 AromaticContact CD1-CZ3 3.42Å; F264-W269 HydrophobicContact CD1-CZ3 3.42Å; F264-W269 VanDerWaalsContact CD1-CZ3 3.42Å; F264-W269 HydrophobicContact CE1-CD2 4.48Å; F264-W269 HydrophobicContact CE1-CE3 4.04Å; F264-W269 AromaticContact CE1-CH2 3.73Å; F264-W269 HydrophobicContact CE1-CH2 3.73Å; F264-W269 HydrophobicContact CE1-CZ2 4.19Å; F264-W269 AromaticContact CE1-CZ3 3.63Å; F264-W269 HydrophobicContact CE1-CZ3 3.63Å; F264-W269 HydrophobicContact CG-CD2 4.07Å; F264-W269 HydrophobicContact CG-CE3 4.02Å; F264-W269 HydrophobicContact CG-CG 4.45Å; F264-W269 HydrophobicContact CG-CZ3 4.46Å; F264-K277 HydrophobicContact CD1-CG 4.09Å; F264-K277 HydrophobicContact CD2-CB 4.28Å; F264-K277 HydrophobicContact CD2-CD 4.38Å; F264-K277 HydrophobicContact CD2-CG 4.14Å; F264-K277 HydrophobicContact CE1-CB 4.32Å; F264-K277 HydrophobicContact CE1-CG 4.13Å; F264-K277 HydrophobicContact CE2-CB 3.91Å; F264-K277 HydrophobicContact CE2-CG 4.21Å; F264-K277 HydrophobicContact CG-CD 4.36Å; F264-K277 HydrophobicContact CG-CG 4.06Å; F264-K277 HydrophobicContact CZ-CB 3.9Å; F264-K277 HydrophobicContact CZ-CG 4.18Å; F264-I280 HydrophobicContact CE1-CB 4.34Å; F264-I280 HydrophobicContact CE1-CD1 4.11Å; F264-I280 HydrophobicContact CE1-CG2 4.06Å; F264-I280 HydrophobicContact CZ-CB 4.2Å; F264-I280 HydrophobicContact CZ-CG2 4.01Å; F264-R281 HydrophobicContact CE2-CG 4.19Å; F264-R281 HydrophobicContact CZ-CG 4.32Å
265	P	89.6	Confident	82.8	Confident	55 Å²	55	74.1 Å²	74.1	36%	0.357	36%	0.363	S	S	.	.			trans	-74.9	151.8	-169.4	31.1	-35.5	0	0	0	112.3	Y238 E263 W269	Y238-P265 VanDerWaalsContact OH-CD 3.25Å; Y238-P265 WeakPolarHBondContact OH-CD 3.3Å; Y238-P265 WeakPolarHBondContact OH-CG 3.33Å; E263-P265 WeakPolarHBondContact O-CD 3.32Å; P265-W269 WeakPolarHBondContact O-CB 3.42Å; P265-W269 VanDerWaalsContact O-CD1 3.23Å; P265-W269 PolarHBondContact O-N 2.96Å
266	N	89.8	Confident	84.5	Confident	121 Å²	121	68.5 Å²	68.5	65%	0.647	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	152.8	173.5	-68.3	-36.7	0	0	0	110.4	S270	N266-S270 WeakPolarHBondContact OD1-CB 3.43Å
267	P	93.3	Very high	86.1	Confident	72 Å²	72	67.4 Å²	67.4	47%	0.468	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	cis	-84.9	-17.4	4.6	33.1	-36.6	0	0	0	115.4	W269 S270	P267-W269 PolarHBondContact O-N 3.12Å; P267-W269 VanDerWaalsContact O-N 3.07Å; P267-S270 PolarHBondContact O-N 3.12Å; P267-S270 PolarHBondContact O-OG 3.16Å; P267-S270 VanDerWaalsContact O-OG 3.14Å
268	E	93	Very high	87.7	Confident	30 Å²	30	70.2 Å²	70.2	14%	0.14	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-28.7	-168	-71.2	69.5	-151.6	0	0	114	C236 Y238 H315 R318 V319	C236-E268 HydrophobicContact CB-CB 3.95Å; Y238-E268 HydrophobicContact CE1-CB 4.02Å; Y238-E268 HydrophobicContact CE1-CG 3.88Å; E268-H315 HydrophobicContact CB-CB 4.41Å; E268-H315 HydrophobicContact CG-CB 3.7Å; E268-R318 IonicContact OE1-NH2 2.89Å; E268-R318 PolarHBondContact OE1-NH2 3.23Å; E268-R318 VanDerWaalsContact OE1-NH2 3.11Å; E268-V319 HydrophobicContact CG-CG2 4.34Å
269	W	95.4	Very high	89.4	Confident	1 Å²	1	60.4 Å²	60.4	0%	0.004	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	2.9	-179.9	-68.9	87.6	0	0	0	114.7	Y232 L235 C236 Y238 F264 P265 P267 E271 V272 K277 I280	Y232-W269 AromaticContact CD1-CZ2 3.92Å; Y232-W269 HydrophobicContact CD1-CZ2 3.92Å; Y232-W269 AromaticContact CD2-CH2 3.83Å; Y232-W269 HydrophobicContact CD2-CH2 3.83Å; Y232-W269 AromaticContact CD2-CZ2 3.53Å; Y232-W269 HydrophobicContact CD2-CZ2 3.53Å; Y232-W269 AromaticContact CE1-CZ2 3.84Å; Y232-W269 HydrophobicContact CE1-CZ2 3.84Å; Y232-W269 HydrophobicContact CE2-CH2 4.09Å; Y232-W269 AromaticContact CE2-CZ2 3.45Å; Y232-W269 HydrophobicContact CE2-CZ2 3.45Å; Y232-W269 VanDerWaalsContact CE2-CZ2 3.45Å; Y232-W269 HydrophobicContact CG-CH2 4.17Å; Y232-W269 AromaticContact CG-CZ2 3.77Å; Y232-W269 HydrophobicContact CG-CZ2 3.77Å; Y232-W269 AromaticContact CZ-CE2 3.91Å; Y232-W269 AromaticContact CZ-CZ2 3.6Å; Y232-W269 AromaticContact CZ-NE1 3.84Å; L235-W269 HydrophobicContact CB-CH2 3.71Å; L235-W269 HydrophobicContact CB-CZ2 4.27Å; L235-W269 HydrophobicContact CB-CZ3 4.03Å; L235-W269 HydrophobicContact CD1-CH2 3.97Å; L235-W269 HydrophobicContact CD1-CZ3 3.9Å; L235-W269 HydrophobicContact CG-CH2 4.48Å; C236-W269 HydrophobicContact CB-CZ2 3.89Å; C236-W269 VanDerWaalsContact CB-NE1 3.3Å; Y238-W269 AromaticContact CZ-NE1 3.71Å; Y238-W269 PolarHBondContact OH-NE1 3.49Å; F264-W269 HydrophobicContact CB-CB 3.79Å; F264-W269 HydrophobicContact CB-CD2 3.77Å; F264-W269 HydrophobicContact CB-CE3 4.08Å; F264-W269 HydrophobicContact CB-CG 3.63Å; F264-W269 AromaticContact CD1-CD2 3.48Å; F264-W269 HydrophobicContact CD1-CD2 3.48Å; F264-W269 VanDerWaalsContact CD1-CD2 3.48Å; F264-W269 AromaticContact CD1-CE2 3.68Å; F264-W269 AromaticContact CD1-CE3 3.34Å; F264-W269 HydrophobicContact CD1-CE3 3.34Å; F264-W269 HydrophobicContact CD1-CG 4.26Å; F264-W269 AromaticContact CD1-CH2 3.65Å; F264-W269 HydrophobicContact CD1-CH2 3.65Å; F264-W269 AromaticContact CD1-CZ2 3.78Å; F264-W269 HydrophobicContact CD1-CZ2 3.78Å; F264-W269 AromaticContact CD1-CZ3 3.42Å; F264-W269 HydrophobicContact CD1-CZ3 3.42Å; F264-W269 VanDerWaalsContact CD1-CZ3 3.42Å; F264-W269 HydrophobicContact CE1-CD2 4.48Å; F264-W269 HydrophobicContact CE1-CE3 4.04Å; F264-W269 AromaticContact CE1-CH2 3.73Å; F264-W269 HydrophobicContact CE1-CH2 3.73Å; F264-W269 HydrophobicContact CE1-CZ2 4.19Å; F264-W269 AromaticContact CE1-CZ3 3.63Å; F264-W269 HydrophobicContact CE1-CZ3 3.63Å; F264-W269 HydrophobicContact CG-CD2 4.07Å; F264-W269 HydrophobicContact CG-CE3 4.02Å; F264-W269 HydrophobicContact CG-CG 4.45Å; F264-W269 HydrophobicContact CG-CZ3 4.46Å; P265-W269 WeakPolarHBondContact O-CB 3.42Å; P265-W269 VanDerWaalsContact O-CD1 3.23Å; P265-W269 PolarHBondContact O-N 2.96Å; P267-W269 PolarHBondContact O-N 3.12Å; P267-W269 VanDerWaalsContact O-N 3.07Å; W269-E271 VanDerWaalsContact C-N 3.35Å; W269-E271 PolarHBondContact O-N 3.42Å; W269-V272 HydrophobicContact CE3-CB 3.89Å; W269-V272 HydrophobicContact CE3-CG1 3.78Å; W269-V272 HydrophobicContact CE3-CG2 4.09Å; W269-V272 HydrophobicContact CZ3-CB 4.41Å; W269-V272 HydrophobicContact CZ3-CG1 3.79Å; W269-K277 HydrophobicContact CE3-CG 3.89Å; W269-K277 HydrophobicContact CZ3-CG 4.03Å; W269-K277 VanDerWaalsContact O-CE 3.25Å; W269-K277 WeakPolarHBondContact O-CE 3.48Å; W269-K277 PolarHBondContact O-NZ 2.88Å; W269-I280 HydrophobicContact CH2-CD1 3.49Å; W269-I280 VanDerWaalsContact CH2-CD1 3.49Å; W269-I280 HydrophobicContact CZ3-CD1 3.93Å
270	S	94	Very high	91.1	Very high	58 Å²	58	55.7 Å²	55.7	41%	0.406	29%	0.287	S	S	.	.	S	Bend	trans	-64.9	-41.1	-175.7	70.2	0	0	0	0	112	N266 P267	N266-S270 WeakPolarHBondContact OD1-CB 3.43Å; P267-S270 PolarHBondContact O-N 3.12Å; P267-S270 PolarHBondContact O-OG 3.16Å; P267-S270 VanDerWaalsContact O-OG 3.14Å
271	E	93.5	Very high	92.6	Very high	129 Å²	129	58.5 Å²	58.5	60%	0.603	29%	0.291	S	S	*	.	S	Bend	trans	-95.3	-7.2	-176.3	-54.1	-54.8	121.2	0	0	113.8	W269 T312	W269-E271 VanDerWaalsContact C-N 3.35Å; W269-E271 PolarHBondContact O-N 3.42Å; E271-T312 HydrophobicContact CB-CG2 3.46Å; E271-T312 VanDerWaalsContact CB-CG2 3.46Å
272	V	95.9	Very high	93.7	Very high	6 Å²	6	54.8 Å²	54.8	4%	0.036	28%	0.276	C	S	.	.	S	Bend	trans	-73.3	132.5	179	177.6	0	0	0	0	110	L235 W269 A276 K277 L314	L235-V272 HydrophobicContact CD1-CG1 4.02Å; L235-V272 HydrophobicContact CD2-CG1 4.47Å; W269-V272 HydrophobicContact CE3-CB 3.89Å; W269-V272 HydrophobicContact CE3-CG1 3.78Å; W269-V272 HydrophobicContact CE3-CG2 4.09Å; W269-V272 HydrophobicContact CZ3-CB 4.41Å; W269-V272 HydrophobicContact CZ3-CG1 3.79Å; V272-A276 HydrophobicContact CG1-CB 3.97Å; V272-K277 HydrophobicContact CG1-CG 4.49Å; V272-K277 WeakPolarHBondContact O-CE 3.43Å; V272-K277 PolarHBondContact O-NZ 3.21Å; V272-L314 HydrophobicContact CG2-CD2 3.92Å
273	S	95.9	Very high	94.3	Very high	17 Å²	17	52.9 Å²	52.9	12%	0.119	27%	0.268	C	S	.	.			trans	-56.2	147.4	-177.7	71.9	0	0	0	0	113.4	E138 E275 A276 K277	E138-S273 WeakPolarHBondContact OE1-CB 3.32Å; E138-S273 PolarHBondContact OE1-OG 3.32Å; E138-S273 PolarHBondContact OE2-N 2.86Å; S273-E275 WeakPolarHBondContact CB-OE2 3.29Å; S273-E275 PolarHBondContact O-N 3.42Å; S273-A276 PolarHBondContact O-N 2.99Å; S273-A276 VanDerWaalsContact OG-CB 3.29Å; S273-A276 WeakPolarHBondContact OG-CB 3.37Å; S273-A276 PolarHBondContact OG-N 3.23Å; S273-A276 VanDerWaalsContact OG-N 3.16Å; S273-K277 PolarHBondContact O-N 2.9Å
274	E	94.8	Very high	94.5	Very high	97 Å²	97	45.7 Å²	45.7	45%	0.453	23%	0.234	S	C	.	.	H	α-helix	trans	-69.1	-27.5	176.7	-169.7	56.2	-145.2	0	0	111.1	K277 Q278 R281	E274-K277 PolarHBondContact O-N 3.44Å; E274-K277 WeakPolarHBondContact OE2-CD 3.24Å; E274-Q278 VanDerWaalsContact O-CB 3.27Å; E274-Q278 WeakPolarHBondContact O-CB 3.31Å; E274-Q278 PolarHBondContact O-N 3.34Å; E274-R281 IonicContact OE1-CZ 2.83Å; E274-R281 VanDerWaalsContact OE1-CZ 3.27Å; E274-R281 IonicContact OE1-NH1 3.87Å; E274-R281 PolarHBondContact OE1-NH1 2.84Å; E274-R281 IonicContact OE1-NH2 2.9Å; E274-R281 PolarHBondContact OE1-NH2 3.26Å
275	E	93.7	Very high	94.3	Very high	107 Å²	107	47.9 Å²	47.9	50%	0.5	24%	0.244	S	C	.	.	H	α-helix	trans	-61.2	-44.4	173.3	-66.2	71.3	-158.5	0	0	111.4	S273 Q278 L279	S273-E275 WeakPolarHBondContact CB-OE2 3.29Å; S273-E275 PolarHBondContact O-N 3.42Å; E275-Q278 PolarHBondContact O-N 3.39Å; E275-L279 WeakPolarHBondContact O-CB 3.46Å; E275-L279 PolarHBondContact O-N 2.91Å
276	A	95.9	Very high	93.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-65.2	-44.4	175.8	0	0	0	0	0	111.6	M231 L235 V272 S273 Q278 L279 I280 W302	M231-A276 HydrophobicContact CE-CB 3.87Å; M231-A276 WeakPolarHBondContact CE-O 3.19Å; L235-A276 HydrophobicContact CD1-CB 3.88Å; V272-A276 HydrophobicContact CG1-CB 3.97Å; S273-A276 PolarHBondContact O-N 2.99Å; S273-A276 VanDerWaalsContact OG-CB 3.29Å; S273-A276 WeakPolarHBondContact OG-CB 3.37Å; S273-A276 PolarHBondContact OG-N 3.23Å; S273-A276 VanDerWaalsContact OG-N 3.16Å; A276-Q278 VanDerWaalsContact C-N 3.33Å; A276-Q278 PolarHBondContact O-N 3.48Å; A276-L279 PolarHBondContact O-N 2.76Å; A276-I280 WeakPolarHBondContact O-CG1 3.27Å; A276-I280 PolarHBondContact O-N 3.28Å; A276-I280 VanDerWaalsContact O-N 3.09Å; A276-W302 HydrophobicContact CB-CZ2 4.44Å
277	K	96.8	Very high	93.5	Very high	26 Å²	26	46 Å²	46	11%	0.113	23%	0.231	C	C	.	.	H	α-helix	trans	-60	-43.7	175.8	-69.6	166.2	179.5	152.9	0	111.3	F264 W269 V272 S273 E274 I280 R281	F264-K277 HydrophobicContact CD1-CG 4.09Å; F264-K277 HydrophobicContact CD2-CB 4.28Å; F264-K277 HydrophobicContact CD2-CD 4.38Å; F264-K277 HydrophobicContact CD2-CG 4.14Å; F264-K277 HydrophobicContact CE1-CB 4.32Å; F264-K277 HydrophobicContact CE1-CG 4.13Å; F264-K277 HydrophobicContact CE2-CB 3.91Å; F264-K277 HydrophobicContact CE2-CG 4.21Å; F264-K277 HydrophobicContact CG-CD 4.36Å; F264-K277 HydrophobicContact CG-CG 4.06Å; F264-K277 HydrophobicContact CZ-CB 3.9Å; F264-K277 HydrophobicContact CZ-CG 4.18Å; W269-K277 HydrophobicContact CE3-CG 3.89Å; W269-K277 HydrophobicContact CZ3-CG 4.03Å; W269-K277 VanDerWaalsContact O-CE 3.25Å; W269-K277 WeakPolarHBondContact O-CE 3.48Å; W269-K277 PolarHBondContact O-NZ 2.88Å; V272-K277 HydrophobicContact CG1-CG 4.49Å; V272-K277 WeakPolarHBondContact O-CE 3.43Å; V272-K277 PolarHBondContact O-NZ 3.21Å; S273-K277 PolarHBondContact O-N 2.9Å; E274-K277 PolarHBondContact O-N 3.44Å; E274-K277 WeakPolarHBondContact OE2-CD 3.24Å; K277-I280 PolarHBondContact O-N 3.38Å; K277-R281 WeakPolarHBondContact O-CG 3.5Å; K277-R281 PolarHBondContact O-N 3.1Å
278	Q	95.8	Very high	93	Very high	90 Å²	90	43.8 Å²	43.8	42%	0.421	22%	0.217	S	C	.	.	H	α-helix	trans	-66.2	-39.1	178.9	-173.8	57.1	25.2	0	0	112.2	E274 E275 A276 I280 R281 T282	E274-Q278 VanDerWaalsContact O-CB 3.27Å; E274-Q278 WeakPolarHBondContact O-CB 3.31Å; E274-Q278 PolarHBondContact O-N 3.34Å; E275-Q278 PolarHBondContact O-N 3.39Å; A276-Q278 VanDerWaalsContact C-N 3.33Å; A276-Q278 PolarHBondContact O-N 3.48Å; Q278-I280 PolarHBondContact O-N 3.34Å; Q278-R281 WeakPolarHBondContact O-CB 3.42Å; Q278-R281 PolarHBondContact O-N 2.58Å; Q278-R281 VanDerWaalsContact O-N 3.16Å; Q278-T282 PolarHBondContact O-N 3.16Å; Q278-T282 VanDerWaalsContact O-N 3.13Å
279	L	96.9	Very high	92.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-59.2	-47	174.1	-176.2	54.8	0	0	0	111	M231 E275 A276 R281 T282 L283 M292 F297 H300 W302 I303	M231-L279 HydrophobicContact CE-CB 4.08Å; M231-L279 HydrophobicContact CE-CD2 3.86Å; M231-L279 HydrophobicContact CE-CG 4.19Å; M231-L279 HydrophobicContact SD-CB 4.37Å; M231-L279 HydrophobicContact SD-CD2 3.81Å; M231-L279 HydrophobicContact SD-CG 3.94Å; E275-L279 WeakPolarHBondContact O-CB 3.46Å; E275-L279 PolarHBondContact O-N 2.91Å; A276-L279 PolarHBondContact O-N 2.76Å; L279-R281 VanDerWaalsContact C-N 3.31Å; L279-R281 PolarHBondContact O-N 3.23Å; L279-T282 PolarHBondContact O-N 3.31Å; L279-T282 VanDerWaalsContact O-N 3.11Å; L279-T282 PolarHBondContact O-OG1 3.11Å; L279-L283 HydrophobicContact CG-CD1 4.22Å; L279-L283 WeakPolarHBondContact O-CG 3.24Å; L279-L283 PolarHBondContact O-N 3.15Å; L279-L283 VanDerWaalsContact O-N 3.08Å; L279-M292 HydrophobicContact CD1-CE 3.67Å; L279-M292 HydrophobicContact CD1-SD 3.43Å; L279-M292 WeakPolarHBondContact CD1-SD 3.4Å; L279-F297 HydrophobicContact CD1-CD2 4.11Å; L279-F297 HydrophobicContact CD2-CD2 4.31Å; L279-F297 HydrophobicContact CD2-CE2 4.07Å; L279-H300 HydrophobicContact CD1-CB 4.23Å; L279-W302 HydrophobicContact CD2-CB 4.41Å; L279-W302 HydrophobicContact CD2-CD2 4.49Å; L279-W302 HydrophobicContact CD2-CE3 3.86Å; L279-I303 HydrophobicContact CD2-CD1 4.25Å; L279-I303 HydrophobicContact CD2-CG1 3.9Å
280	I	97.4	Very high	92.1	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-57	-43.8	173.9	-69.6	171.4	0	0	0	111.4	M231 Y232 L235 Y262 F264 W269 A276 K277 Q278 T282 L283 L284	M231-I280 HydrophobicContact CB-CG1 4.28Å; M231-I280 HydrophobicContact CE-CD1 4.39Å; M231-I280 HydrophobicContact CE-CG1 4.05Å; M231-I280 HydrophobicContact CG-CD1 4.12Å; M231-I280 HydrophobicContact CG-CG1 3.91Å; M231-I280 HydrophobicContact SD-CD1 4.49Å; M231-I280 HydrophobicContact SD-CG1 3.79Å; Y232-I280 HydrophobicContact CD2-CD1 4.25Å; Y232-I280 HydrophobicContact CD2-CG2 4.13Å; L235-I280 HydrophobicContact CD1-CD1 3.87Å; Y262-I280 HydrophobicContact CE2-CG2 3.89Å; F264-I280 HydrophobicContact CE1-CB 4.34Å; F264-I280 HydrophobicContact CE1-CD1 4.11Å; F264-I280 HydrophobicContact CE1-CG2 4.06Å; F264-I280 HydrophobicContact CZ-CB 4.2Å; F264-I280 HydrophobicContact CZ-CG2 4.01Å; W269-I280 HydrophobicContact CH2-CD1 3.49Å; W269-I280 VanDerWaalsContact CH2-CD1 3.49Å; W269-I280 HydrophobicContact CZ3-CD1 3.93Å; A276-I280 WeakPolarHBondContact O-CG1 3.27Å; A276-I280 PolarHBondContact O-N 3.28Å; A276-I280 VanDerWaalsContact O-N 3.09Å; K277-I280 PolarHBondContact O-N 3.38Å; Q278-I280 PolarHBondContact O-N 3.34Å; I280-T282 PolarHBondContact O-N 2.64Å; I280-L283 PolarHBondContact O-N 3.38Å; I280-L283 VanDerWaalsContact O-N 3.14Å; I280-L284 HydrophobicContact CG2-CD1 3.65Å; I280-L284 HydrophobicContact CG2-CG 4.16Å; I280-L284 WeakPolarHBondContact O-CB 3.32Å; I280-L284 PolarHBondContact O-N 3.33Å
281	R	95.4	Very high	92	Very high	83 Å²	83	49.9 Å²	49.9	31%	0.313	24%	0.244	S	C	.	.	H	α-helix	trans	-55.2	-39.1	176.1	-68.3	-172.8	-158.8	100.8	2.2	113.6	Y262 F264 E274 K277 Q278 L279 K285	Y262-R281 WeakPolarHBondContact OH-CA 3.14Å; F264-R281 HydrophobicContact CE2-CG 4.19Å; F264-R281 HydrophobicContact CZ-CG 4.32Å; E274-R281 IonicContact OE1-CZ 2.83Å; E274-R281 VanDerWaalsContact OE1-CZ 3.27Å; E274-R281 IonicContact OE1-NH1 3.87Å; E274-R281 PolarHBondContact OE1-NH1 2.84Å; E274-R281 IonicContact OE1-NH2 2.9Å; E274-R281 PolarHBondContact OE1-NH2 3.26Å; K277-R281 WeakPolarHBondContact O-CG 3.5Å; K277-R281 PolarHBondContact O-N 3.1Å; Q278-R281 WeakPolarHBondContact O-CB 3.42Å; Q278-R281 PolarHBondContact O-N 2.58Å; Q278-R281 VanDerWaalsContact O-N 3.16Å; L279-R281 VanDerWaalsContact C-N 3.31Å; L279-R281 PolarHBondContact O-N 3.23Å; R281-K285 WeakPolarHBondContact O-CG 3.39Å
282	T	96.3	Very high	92.1	Very high	27 Å²	27	44.9 Å²	44.9	17%	0.166	22%	0.221	C	C	.	.	H	α-helix	trans	-77.7	-30	179.1	62.5	0	0	0	0	113.8	Q278 L279 I280 M292	Q278-T282 PolarHBondContact O-N 3.16Å; Q278-T282 VanDerWaalsContact O-N 3.13Å; L279-T282 PolarHBondContact O-N 3.31Å; L279-T282 VanDerWaalsContact O-N 3.11Å; L279-T282 PolarHBondContact O-OG1 3.11Å; I280-T282 PolarHBondContact O-N 2.64Å; T282-M292 HydrophobicContact CG2-CE 4.38Å; T282-M292 PolarHBondContact O-N 2.87Å; T282-M292 VanDerWaalsContact O-N 3.14Å; T282-M292 WeakPolarHBondContact OG1-CE 3.48Å
283	L	95.6	Very high	92.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-75.6	-37.2	175.6	-69.4	170.4	0	0	0	112.6	M224 L227 M231 L279 I280 K285 R291 M292 F297	M224-L283 HydrophobicContact CB-CD2 4.48Å; M224-L283 HydrophobicContact CE-CD2 3.65Å; L227-L283 HydrophobicContact CB-CD1 4.42Å; L227-L283 HydrophobicContact CB-CD2 4.42Å; M231-L283 HydrophobicContact SD-CD1 4.26Å; L279-L283 HydrophobicContact CG-CD1 4.22Å; L279-L283 WeakPolarHBondContact O-CG 3.24Å; L279-L283 PolarHBondContact O-N 3.15Å; L279-L283 VanDerWaalsContact O-N 3.08Å; I280-L283 PolarHBondContact O-N 3.38Å; I280-L283 VanDerWaalsContact O-N 3.14Å; L283-K285 PolarHBondContact O-N 3.41Å; L283-R291 WeakPolarHBondContact O-CD 3.49Å; L283-R291 WeakPolarHBondContact O-CG 3.16Å; L283-R291 PolarHBondContact O-NE 2.81Å; L283-M292 HydrophobicContact CD2-CB 4.25Å; L283-M292 HydrophobicContact CD2-CG 4.45Å; L283-M292 HydrophobicContact CD2-SD 4.19Å; L283-M292 HydrophobicContact CG-SD 4.48Å; L283-F297 HydrophobicContact CD1-CD2 4.06Å; L283-F297 HydrophobicContact CD1-CE2 3.97Å; L283-F297 HydrophobicContact CD2-CD2 4.01Å; L283-F297 HydrophobicContact CG-CD2 4.49Å
284	L	92.1	Very high	92.2	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.016	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	23.9	-176.8	-62.4	-176.2	0	0	0	113.8	W225 V229 P240 F241 Y262 I280 T286	W225-L284 HydrophobicContact CD2-CD2 3.88Å; W225-L284 HydrophobicContact CE3-CD2 4Å; W225-L284 HydrophobicContact CG-CD2 4.35Å; W225-L284 HydrophobicContact CZ2-CD2 4.38Å; W225-L284 HydrophobicContact CZ3-CB 4.36Å; W225-L284 HydrophobicContact CZ3-CD2 4.32Å; W225-L284 WeakPolarHBondContact CZ3-O 3.46Å; V229-L284 HydrophobicContact CG2-CD2 3.88Å; P240-L284 HydrophobicContact CB-CD1 4.14Å; P240-L284 HydrophobicContact CG-CD1 4.12Å; F241-L284 HydrophobicContact CZ-CD1 4.49Å; Y262-L284 HydrophobicContact CD1-CD1 4.31Å; Y262-L284 HydrophobicContact CE1-CB 3.69Å; Y262-L284 HydrophobicContact CE1-CD1 3.92Å; Y262-L284 HydrophobicContact CE1-CG 4.48Å; Y262-L284 HydrophobicContact CE2-CD1 4.21Å; I280-L284 HydrophobicContact CG2-CD1 3.65Å; I280-L284 HydrophobicContact CG2-CG 4.16Å; I280-L284 WeakPolarHBondContact O-CB 3.32Å; I280-L284 PolarHBondContact O-N 3.33Å; L284-T286 PolarHBondContact O-N 3.35Å
285	K	88.4	Confident	92.2	Very high	83 Å²	83	46.9 Å²	46.9	36%	0.361	24%	0.239	S	C	.	.			trans	-62.9	131.2	168.6	-77.8	-178.6	173	-175.6	0	110.2	R281 L283 Q290 R291	R281-K285 WeakPolarHBondContact O-CG 3.39Å; L283-K285 PolarHBondContact O-N 3.41Å; K285-Q290 HydrophobicContact CD-CB 3.93Å; K285-Q290 WeakPolarHBondContact CD-O 3.43Å; K285-Q290 PolarHBondContact NZ-O 3.21Å; K285-R291 PolarHBondContact O-NE 3.29Å; K285-R291 PolarHBondContact O-NH2 3.01Å
286	T	82.3	Confident	92.4	Very high	67 Å²	67	46.8 Å²	46.8	41%	0.411	24%	0.238	S	C	.	.	S	Bend	trans	-63.8	-44.3	-179.4	48.6	0	0	0	0	111.6	R258 L284 P288 R291	R258-T286 WeakPolarHBondContact O-CG2 3.4Å; L284-T286 PolarHBondContact O-N 3.35Å; T286-P288 WeakPolarHBondContact O-CD 3.5Å; T286-R291 PolarHBondContact O-NH2 3.49Å; T286-R291 VanDerWaalsContact O-NH2 3.14Å
287	E	80.9	Confident	92.5	Very high	69 Å²	69	46.8 Å²	46.8	32%	0.322	24%	0.238	S	C	.	.	S	Bend	trans	-71.3	112.1	177.3	-180	48.3	-126.8	0	0	110.7	T289 Q290 R291	E287-T289 VanDerWaalsContact CG-OG1 3.3Å; E287-T289 WeakPolarHBondContact CG-OG1 3.5Å; E287-T289 PolarHBondContact O-N 3.45Å; E287-T289 PolarHBondContact OE1-N 3.31Å; E287-T289 PolarHBondContact OE1-OG1 3.03Å; E287-Q290 HydrophobicContact CB-CB 4.24Å; E287-Q290 HydrophobicContact CB-CG 4.14Å; E287-Q290 HydrophobicContact CG-CB 4.23Å; E287-Q290 HydrophobicContact CG-CG 3.75Å; E287-Q290 PolarHBondContact O-N 3.3Å; E287-Q290 VanDerWaalsContact O-N 3.09Å; E287-R291 PolarHBondContact O-N 3.45Å
288	P	83.1	Confident	92.6	Very high	27 Å²	27	46.4 Å²	46.4	18%	0.175	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-58.1	-33.9	-176.3	-30.3	41.2	0	0	0	113.8	Y218 T286 Q290 R291	Y218-P288 HydrophobicContact CD1-CB 3.97Å; Y218-P288 HydrophobicContact CD1-CG 3.82Å; Y218-P288 HydrophobicContact CE1-CB 4.02Å; Y218-P288 HydrophobicContact CE1-CG 3.69Å; T286-P288 WeakPolarHBondContact O-CD 3.5Å; P288-Q290 VanDerWaalsContact C-N 3.29Å; P288-Q290 PolarHBondContact O-N 3.09Å; P288-R291 WeakPolarHBondContact O-CB 3.49Å; P288-R291 PolarHBondContact O-N 3.31Å
289	T	82.6	Confident	92.6	Very high	81 Å²	81	47.3 Å²	47.3	50%	0.497	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-73.6	-19.8	-178.7	57.8	0	0	0	0	113.7	E287	E287-T289 VanDerWaalsContact CG-OG1 3.3Å; E287-T289 WeakPolarHBondContact CG-OG1 3.5Å; E287-T289 PolarHBondContact O-N 3.45Å; E287-T289 PolarHBondContact OE1-N 3.31Å; E287-T289 PolarHBondContact OE1-OG1 3.03Å
290	Q	87.5	Confident	92.6	Very high	122 Å²	122	49.2 Å²	49.2	57%	0.57	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-97.6	-7.8	176.8	-63	-178.1	16.5	0	0	112.9	K285 E287 P288	K285-Q290 HydrophobicContact CD-CB 3.93Å; K285-Q290 WeakPolarHBondContact CD-O 3.43Å; K285-Q290 PolarHBondContact NZ-O 3.21Å; E287-Q290 HydrophobicContact CB-CB 4.24Å; E287-Q290 HydrophobicContact CB-CG 4.14Å; E287-Q290 HydrophobicContact CG-CB 4.23Å; E287-Q290 HydrophobicContact CG-CG 3.75Å; E287-Q290 PolarHBondContact O-N 3.3Å; E287-Q290 VanDerWaalsContact O-N 3.09Å; P288-Q290 VanDerWaalsContact C-N 3.29Å; P288-Q290 PolarHBondContact O-N 3.09Å
291	R	91.8	Very high	92.4	Very high	14 Å²	14	51.1 Å²	51.1	5%	0.053	27%	0.266	C	S	.	.	S	Bend	trans	-69.8	140.7	-178.7	-166.9	174.7	-61.4	133	11.8	110.2	S221 M224 L283 K285 T286 E287 P288	S221-R291 VanDerWaalsContact CB-NH1 3.31Å; S221-R291 WeakPolarHBondContact O-CD 3.47Å; S221-R291 PolarHBondContact O-NH1 3.06Å; S221-R291 PolarHBondContact OG-NH1 3.38Å; S221-R291 VanDerWaalsContact OG-NH1 3.13Å; M224-R291 HydrophobicContact CB-CG 4.2Å; L283-R291 WeakPolarHBondContact O-CD 3.49Å; L283-R291 WeakPolarHBondContact O-CG 3.16Å; L283-R291 PolarHBondContact O-NE 2.81Å; K285-R291 PolarHBondContact O-NE 3.29Å; K285-R291 PolarHBondContact O-NH2 3.01Å; T286-R291 PolarHBondContact O-NH2 3.49Å; T286-R291 VanDerWaalsContact O-NH2 3.14Å; E287-R291 PolarHBondContact O-N 3.45Å; P288-R291 WeakPolarHBondContact O-CB 3.49Å; P288-R291 PolarHBondContact O-N 3.31Å
292	M	94.9	Very high	92.4	Very high	24 Å²	24	47.6 Å²	47.6	12%	0.118	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-54.5	138.1	177.6	176.5	177.6	-84.5	0	0	111.5	M224 L279 T282 L283 E296 F297	M224-M292 WeakPolarHBondContact CB-O 3.42Å; M224-M292 WeakPolarHBondContact CE-O 3.2Å; M224-M292 VanDerWaalsContact CG-O 3.26Å; M224-M292 WeakPolarHBondContact CG-O 3.44Å; L279-M292 HydrophobicContact CD1-CE 3.67Å; L279-M292 HydrophobicContact CD1-SD 3.43Å; L279-M292 WeakPolarHBondContact CD1-SD 3.4Å; T282-M292 HydrophobicContact CG2-CE 4.38Å; T282-M292 PolarHBondContact O-N 2.87Å; T282-M292 VanDerWaalsContact O-N 3.14Å; T282-M292 WeakPolarHBondContact OG1-CE 3.48Å; L283-M292 HydrophobicContact CD2-CB 4.25Å; L283-M292 HydrophobicContact CD2-CG 4.45Å; L283-M292 HydrophobicContact CD2-SD 4.19Å; L283-M292 HydrophobicContact CG-SD 4.48Å; M292-E296 HydrophobicContact CE-CB 4.41Å; M292-E296 HydrophobicContact CG-CB 3.74Å; M292-E296 HydrophobicContact SD-CB 4.46Å; M292-F297 HydrophobicContact CG-CB 4.31Å; M292-F297 HydrophobicContact SD-CB 3.85Å; M292-F297 HydrophobicContact SD-CD2 4.33Å
293	T	96	Very high	92.4	Very high	69 Å²	69	46.3 Å²	46.3	42%	0.423	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-85.3	161.4	174.3	66.2	0	0	0	0	111.6	T295 E296 F297	T293-T295 VanDerWaalsContact C-N 3.26Å; T293-T295 PolarHBondContact O-N 3.01Å; T293-E296 WeakPolarHBondContact CB-OE2 2.78Å; T293-E296 PolarHBondContact N-OE2 3.14Å; T293-E296 PolarHBondContact O-N 3.32Å; T293-E296 VanDerWaalsContact OG1-CD 3.26Å; T293-E296 VanDerWaalsContact OG1-CG 3.32Å; T293-E296 WeakPolarHBondContact OG1-CG 3.27Å; T293-E296 PolarHBondContact OG1-N 2.88Å; T293-E296 PolarHBondContact OG1-OE2 2.79Å; T293-F297 PolarHBondContact O-N 3.26Å
294	I	97.4	Very high	92.1	Very high	10 Å²	10	49.1 Å²	49.1	5%	0.051	26%	0.26	C	S	.	.	H	α-helix	trans	-63.7	-32.1	179.9	-168.4	56.4	0	0	0	113.2	I152 Q153 H156 M224 L227 F297 M298	I152-I294 HydrophobicContact CB-CD1 3.96Å; I152-I294 HydrophobicContact CB-CG1 4.29Å; I152-I294 HydrophobicContact CG2-CB 4.46Å; I152-I294 HydrophobicContact CG2-CD1 3.93Å; I152-I294 HydrophobicContact CG2-CG1 4.03Å; Q153-I294 HydrophobicContact CB-CG1 3.76Å; Q153-I294 HydrophobicContact CG-CG1 4.43Å; H156-I294 HydrophobicContact CB-CG2 3.85Å; M224-I294 HydrophobicContact CE-CB 4.33Å; M224-I294 HydrophobicContact CE-CD1 4.21Å; M224-I294 HydrophobicContact SD-CB 3.79Å; M224-I294 HydrophobicContact SD-CD1 4.11Å; M224-I294 HydrophobicContact SD-CG1 4.49Å; L227-I294 HydrophobicContact CD1-CD1 3.95Å; I294-F297 HydrophobicContact CD1-CB 4.38Å; I294-F297 HydrophobicContact CD1-CD1 3.84Å; I294-F297 HydrophobicContact CD1-CG 4.42Å; I294-F297 PolarHBondContact O-N 2.69Å; I294-M298 HydrophobicContact CD1-CG 4.22Å; I294-M298 HydrophobicContact CG1-CG 4.33Å; I294-M298 WeakPolarHBondContact O-CB 3.48Å; I294-M298 VanDerWaalsContact O-CG 3.31Å; I294-M298 WeakPolarHBondContact O-CG 3.45Å; I294-M298 PolarHBondContact O-N 3.02Å
295	T	96.3	Very high	91.5	Very high	82 Å²	82	52.4 Å²	52.4	50%	0.503	28%	0.275	S	S	.	.	H	α-helix	trans	-67	-42.9	177	-53	0	0	0	0	111.1	T293 N299	T293-T295 VanDerWaalsContact C-N 3.26Å; T293-T295 PolarHBondContact O-N 3.01Å; T295-N299 WeakPolarHBondContact O-CB 3.41Å; T295-N299 VanDerWaalsContact O-CG 3.29Å; T295-N299 PolarHBondContact O-N 3.47Å; T295-N299 VanDerWaalsContact O-N 3.14Å; T295-N299 PolarHBondContact O-ND2 3.12Å; T295-N299 VanDerWaalsContact O-ND2 3.11Å
296	E	97.3	Very high	90.5	Very high	105 Å²	105	52.4 Å²	52.4	49%	0.491	29%	0.286	S	S	.	.	H	α-helix	trans	-64	-43.3	174.4	-69.5	163	145.7	0	0	111.1	M292 T293 N299 H300	M292-E296 HydrophobicContact CE-CB 4.41Å; M292-E296 HydrophobicContact CG-CB 3.74Å; M292-E296 HydrophobicContact SD-CB 4.46Å; T293-E296 WeakPolarHBondContact CB-OE2 2.78Å; T293-E296 PolarHBondContact N-OE2 3.14Å; T293-E296 PolarHBondContact O-N 3.32Å; T293-E296 VanDerWaalsContact OG1-CD 3.26Å; T293-E296 VanDerWaalsContact OG1-CG 3.32Å; T293-E296 WeakPolarHBondContact OG1-CG 3.27Å; T293-E296 PolarHBondContact OG1-N 2.88Å; T293-E296 PolarHBondContact OG1-OE2 2.79Å; E296-N299 PolarHBondContact O-N 3.31Å; E296-H300 PolarHBondContact O-N 3.44Å
297	F	98.2	Very high	90.2	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-58.6	-49.9	176.6	175.3	-94.2	0	0	0	112.2	M145 M224 L227 L279 L283 M292 T293 I294 N299 H300 I303	M145-F297 HydrophobicContact CB-CZ 4.25Å; M145-F297 HydrophobicContact CE-CE2 4.12Å; M145-F297 HydrophobicContact CE-CZ 3.72Å; M224-F297 HydrophobicContact CE-CB 3.87Å; M224-F297 HydrophobicContact CE-CG 4.33Å; L227-F297 HydrophobicContact CD1-CD1 4.35Å; L227-F297 HydrophobicContact CD1-CE1 4.3Å; L227-F297 HydrophobicContact CD1-CZ 4.42Å; L279-F297 HydrophobicContact CD1-CD2 4.11Å; L279-F297 HydrophobicContact CD2-CD2 4.31Å; L279-F297 HydrophobicContact CD2-CE2 4.07Å; L283-F297 HydrophobicContact CD1-CD2 4.06Å; L283-F297 HydrophobicContact CD1-CE2 3.97Å; L283-F297 HydrophobicContact CD2-CD2 4.01Å; L283-F297 HydrophobicContact CG-CD2 4.49Å; M292-F297 HydrophobicContact CG-CB 4.31Å; M292-F297 HydrophobicContact SD-CB 3.85Å; M292-F297 HydrophobicContact SD-CD2 4.33Å; T293-F297 PolarHBondContact O-N 3.26Å; I294-F297 HydrophobicContact CD1-CB 4.38Å; I294-F297 HydrophobicContact CD1-CD1 3.84Å; I294-F297 HydrophobicContact CD1-CG 4.42Å; I294-F297 PolarHBondContact O-N 2.69Å; F297-N299 PolarHBondContact O-N 2.99Å; F297-H300 VanDerWaalsContact O-CB 3.27Å; F297-H300 WeakPolarHBondContact O-CB 3.41Å; F297-H300 PolarHBondContact O-N 3.4Å; F297-H300 VanDerWaalsContact O-N 3.09Å; F297-I303 HydrophobicContact CD1-CG1 4.38Å; F297-I303 HydrophobicContact CD1-CG2 4.41Å; F297-I303 HydrophobicContact CD2-CG1 4.29Å; F297-I303 HydrophobicContact CE1-CD1 3.85Å; F297-I303 HydrophobicContact CE1-CG1 3.99Å; F297-I303 HydrophobicContact CE1-CG2 4.07Å; F297-I303 HydrophobicContact CE2-CD1 3.76Å; F297-I303 HydrophobicContact CE2-CG1 3.89Å; F297-I303 HydrophobicContact CZ-CD1 3.31Å; F297-I303 HydrophobicContact CZ-CG1 3.73Å; F297-I303 WeakPolarHBondContact O-CB 3.16Å; F297-I303 WeakPolarHBondContact O-CG1 3.38Å
298	M	97.9	Very high	90.3	Very high	19 Å²	19	60.5 Å²	60.5	9%	0.094	32%	0.32	C	S	.	.	H	α-helix	trans	-67.8	-21.9	-179.8	-68.8	-57.4	-67.9	0	0	113.1	K146 G149 E150 Q153 I294 I303 N304	K146-M298 HydrophobicContact CG-CE 4.29Å; G149-M298 VanDerWaalsContact C-SD 3.58Å; E150-M298 HydrophobicContact CG-CE 3.75Å; Q153-M298 HydrophobicContact CB-CG 4.27Å; Q153-M298 HydrophobicContact CG-CG 4.45Å; I294-M298 HydrophobicContact CD1-CG 4.22Å; I294-M298 HydrophobicContact CG1-CG 4.33Å; I294-M298 WeakPolarHBondContact O-CB 3.48Å; I294-M298 VanDerWaalsContact O-CG 3.31Å; I294-M298 WeakPolarHBondContact O-CG 3.45Å; I294-M298 PolarHBondContact O-N 3.02Å; M298-I303 HydrophobicContact CE-CG2 4.48Å; M298-I303 HydrophobicContact SD-CG2 3.98Å; M298-N304 WeakPolarHBondContact O-CB 3.25Å
299	N	96.4	Very high	90.4	Very high	109 Å²	109	59.5 Å²	59.5	58%	0.583	31%	0.314	S	S	*	.	H	α-helix	trans	-90.2	-6.4	174.7	-72.7	-29.6	0	0	0	113.4	T295 E296 F297 N304	T295-N299 WeakPolarHBondContact O-CB 3.41Å; T295-N299 VanDerWaalsContact O-CG 3.29Å; T295-N299 PolarHBondContact O-N 3.47Å; T295-N299 VanDerWaalsContact O-N 3.14Å; T295-N299 PolarHBondContact O-ND2 3.12Å; T295-N299 VanDerWaalsContact O-ND2 3.11Å; E296-N299 PolarHBondContact O-N 3.31Å; F297-N299 PolarHBondContact O-N 2.99Å; N299-N304 PolarHBondContact O-ND2 3.11Å
300	H	96.6	Very high	90.7	Very high	39 Å²	39	58 Å²	58	18%	0.181	31%	0.306	C	S	.	.	S	Bend	trans	-67	137	-179.7	-167.6	-92.4	0	0	0	110.4	L279 E296 F297 W302 I303 N304	L279-H300 HydrophobicContact CD1-CB 4.23Å; E296-H300 PolarHBondContact O-N 3.44Å; F297-H300 VanDerWaalsContact O-CB 3.27Å; F297-H300 WeakPolarHBondContact O-CB 3.41Å; F297-H300 PolarHBondContact O-N 3.4Å; F297-H300 VanDerWaalsContact O-N 3.09Å; H300-W302 WeakPolarHBondContact ND1-CB 3.38Å; H300-W302 PolarHBondContact ND1-N 2.83Å; H300-W302 PolarHBondContact O-N 3.35Å; H300-W302 VanDerWaalsContact O-N 3.16Å; H300-I303 HydrophobicContact CB-CG1 4.47Å; H300-I303 WeakPolarHBondContact O-CA 3.28Å; H300-I303 PolarHBondContact O-N 3.21Å; H300-N304 PolarHBondContact O-N 3.14Å; H300-N304 PolarHBondContact O-OD1 2.73Å
301	P	93.4	Very high	91	Very high	41 Å²	41	57.8 Å²	57.8	27%	0.266	31%	0.305	S	S	.	.	H	α-helix	trans	-54.2	-38.4	-176.6	-29.5	36.1	0	0	0	114.5	I303 N304 Q305 M307	P301-I303 PolarHBondContact O-N 3.03Å; P301-N304 VanDerWaalsContact CA-OD1 3.28Å; P301-N304 WeakPolarHBondContact CA-OD1 3.39Å; P301-N304 PolarHBondContact O-OD1 3.48Å; P301-Q305 PolarHBondContact O-N 3.07Å; P301-Q305 VanDerWaalsContact O-N 3.12Å; P301-M307 HydrophobicContact CB-CB 4.3Å; P301-M307 HydrophobicContact CB-CE 4.24Å; P301-M307 HydrophobicContact CB-CG 3.92Å; P301-M307 HydrophobicContact CB-SD 3.63Å; P301-M307 HydrophobicContact CG-CE 4.31Å; P301-M307 HydrophobicContact CG-SD 4.29Å
302	W	95.4	Very high	91	Very high	9 Å²	9	58.7 Å²	58.7	3%	0.034	31%	0.312	C	S	.	.	H	α-helix	trans	-63.5	-22.9	176.9	-165.1	89.4	0	0	0	113.4	E138 A141 S142 M145 M231 L235 A276 L279 H300	E138-W302 HydrophobicContact CG-CZ2 3.93Å; E138-W302 PolarHBondContact OE1-NE1 2.89Å; A141-W302 HydrophobicContact CB-CH2 4.27Å; A141-W302 HydrophobicContact CB-CZ2 4.49Å; S142-W302 WeakPolarHBondContact CB-O 3.25Å; S142-W302 PolarHBondContact OG-O 3.43Å; M145-W302 HydrophobicContact CB-CH2 4.48Å; M145-W302 HydrophobicContact CB-CZ3 3.91Å; M145-W302 HydrophobicContact CG-CH2 4.26Å; M145-W302 HydrophobicContact CG-CZ3 4.02Å; M231-W302 HydrophobicContact CE-CD2 4.04Å; M231-W302 HydrophobicContact CE-CE3 3.72Å; M231-W302 HydrophobicContact CE-CH2 3.73Å; M231-W302 HydrophobicContact CE-CZ2 4.04Å; M231-W302 HydrophobicContact CE-CZ3 3.56Å; M231-W302 HydrophobicContact CG-CH2 4.47Å; M231-W302 HydrophobicContact CG-CZ3 4.47Å; M231-W302 HydrophobicContact SD-CE3 4.46Å; M231-W302 HydrophobicContact SD-CZ3 4.04Å; L235-W302 HydrophobicContact CD2-CZ2 4.21Å; A276-W302 HydrophobicContact CB-CZ2 4.44Å; L279-W302 HydrophobicContact CD2-CB 4.41Å; L279-W302 HydrophobicContact CD2-CD2 4.49Å; L279-W302 HydrophobicContact CD2-CE3 3.86Å; H300-W302 WeakPolarHBondContact ND1-CB 3.38Å; H300-W302 PolarHBondContact ND1-N 2.83Å; H300-W302 PolarHBondContact O-N 3.35Å; H300-W302 VanDerWaalsContact O-N 3.16Å
303	I	95.7	Very high	91	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-102	-48	-179.1	-62.6	-65.7	0	0	0	112.2	M145 K146 L279 F297 M298 H300 P301 Q305	M145-I303 HydrophobicContact CB-CD1 3.83Å; K146-I303 HydrophobicContact CB-CG2 4.2Å; K146-I303 HydrophobicContact CG-CG2 4.29Å; L279-I303 HydrophobicContact CD2-CD1 4.25Å; L279-I303 HydrophobicContact CD2-CG1 3.9Å; F297-I303 HydrophobicContact CD1-CG1 4.38Å; F297-I303 HydrophobicContact CD1-CG2 4.41Å; F297-I303 HydrophobicContact CD2-CG1 4.29Å; F297-I303 HydrophobicContact CE1-CD1 3.85Å; F297-I303 HydrophobicContact CE1-CG1 3.99Å; F297-I303 HydrophobicContact CE1-CG2 4.07Å; F297-I303 HydrophobicContact CE2-CD1 3.76Å; F297-I303 HydrophobicContact CE2-CG1 3.89Å; F297-I303 HydrophobicContact CZ-CD1 3.31Å; F297-I303 HydrophobicContact CZ-CG1 3.73Å; F297-I303 WeakPolarHBondContact O-CB 3.16Å; F297-I303 WeakPolarHBondContact O-CG1 3.38Å; M298-I303 HydrophobicContact CE-CG2 4.48Å; M298-I303 HydrophobicContact SD-CG2 3.98Å; H300-I303 HydrophobicContact CB-CG1 4.47Å; H300-I303 WeakPolarHBondContact O-CA 3.28Å; H300-I303 PolarHBondContact O-N 3.21Å; P301-I303 PolarHBondContact O-N 3.03Å; I303-Q305 PolarHBondContact O-N 3.25Å
304	N	89.2	Confident	90.9	Very high	59 Å²	59	58.9 Å²	58.9	32%	0.316	32%	0.315	S	S	.	.	H	α-helix	trans	-76.8	-7.4	-178.4	68.6	12.5	0	0	0	113.6	M298 N299 H300 P301 S306	M298-N304 WeakPolarHBondContact O-CB 3.25Å; N299-N304 PolarHBondContact O-ND2 3.11Å; H300-N304 PolarHBondContact O-N 3.14Å; H300-N304 PolarHBondContact O-OD1 2.73Å; P301-N304 VanDerWaalsContact CA-OD1 3.28Å; P301-N304 WeakPolarHBondContact CA-OD1 3.39Å; P301-N304 PolarHBondContact O-OD1 3.48Å; N304-S306 PolarHBondContact O-N 2.84Å; N304-S306 VanDerWaalsContact OD1-CB 3.26Å; N304-S306 WeakPolarHBondContact OD1-CB 3.27Å; N304-S306 PolarHBondContact OD1-N 2.62Å; N304-S306 PolarHBondContact OD1-OG 3.3Å
305	Q	80.9	Confident	90.7	Very high	71 Å²	71	61.3 Å²	61.3	33%	0.332	33%	0.326	S	S	.	.			trans	60.9	26	177	-51.5	172	15.6	0	0	113	K139 D143 P301 I303 M307	K139-Q305 VanDerWaalsContact NZ-NE2 3.15Å; D143-Q305 PolarHBondContact OD1-NE2 3.26Å; P301-Q305 PolarHBondContact O-N 3.07Å; P301-Q305 VanDerWaalsContact O-N 3.12Å; I303-Q305 PolarHBondContact O-N 3.25Å; Q305-M307 CarbonylContact C-O 3.52Å; Q305-M307 PolarHBondContact O-N 3.38Å
306	S	66.1	Low	90.5	Very high	84 Å²	84	57.4 Å²	57.4	59%	0.587	30%	0.302	S	S	*	.	S	Bend	trans	-66.5	-15.7	165.8	56.4	0	0	0	0	112.4	N304	N304-S306 PolarHBondContact O-N 2.84Å; N304-S306 VanDerWaalsContact OD1-CB 3.26Å; N304-S306 WeakPolarHBondContact OD1-CB 3.27Å; N304-S306 PolarHBondContact OD1-N 2.62Å; N304-S306 PolarHBondContact OD1-OG 3.3Å
307	M	76.3	Confident	90.2	Very high	119 Å²	119	52.8 Å²	52.8	59%	0.586	28%	0.282	S	S	*	.	S	Bend	trans	-117.7	152.7	166	-67.1	177.4	-180	0	0	109.7	P301 Q305 V309	P301-M307 HydrophobicContact CB-CB 4.3Å; P301-M307 HydrophobicContact CB-CE 4.24Å; P301-M307 HydrophobicContact CB-CG 3.92Å; P301-M307 HydrophobicContact CB-SD 3.63Å; P301-M307 HydrophobicContact CG-CE 4.31Å; P301-M307 HydrophobicContact CG-SD 4.29Å; Q305-M307 CarbonylContact C-O 3.52Å; Q305-M307 PolarHBondContact O-N 3.38Å; M307-V309 PolarHBondContact O-N 2.71Å
308	E	82.4	Confident	89.9	Confident	186 Å²	186	57.5 Å²	57.5	87%	0.869	30%	0.299	S	S	*	.			trans	-72.5	107.3	173.2	-169.2	171.4	-169.5	0	0	109.3
309	V	86.9	Confident	89.5	Confident	6 Å²	6	56.9 Å²	56.9	4%	0.036	30%	0.297	C	S	.	.			trans	-69.3	132.8	175.9	178.7	0	0	0	0	108.9	E138 K139 M307	E138-V309 HydrophobicContact CG-CG1 4.08Å; K139-V309 HydrophobicContact CB-CG1 4.48Å; K139-V309 HydrophobicContact CD-CB 3.77Å; K139-V309 HydrophobicContact CD-CG1 4.37Å; M307-V309 PolarHBondContact O-N 2.71Å
310	P	89	Confident	89.2	Confident	50 Å²	50	51.9 Å²	51.9	33%	0.325	27%	0.27	S	S	.	.			trans	-55.2	145.7	-178.7	-26.5	34.9	0	0	0	113.5	K139 T312	K139-P310 PolarHBondContact N-O 3Å; P310-T312 WeakPolarHBondContact CB-OG1 3.37Å; P310-T312 PolarHBondContact O-N 3.24Å
311	Q	92.6	Very high	88.7	Confident	118 Å²	118	54 Å²	54	55%	0.551	28%	0.279	S	S	*	.			trans	-86.8	20.3	171	-66.4	-70.8	-25.5	0	0	112	T137 K139 P313	T137-Q311 WeakPolarHBondContact CG2-O 3.33Å; K139-Q311 VanDerWaalsContact CB-NE2 3.32Å; K139-Q311 VanDerWaalsContact CG-NE2 3.32Å; Q311-P313 WeakPolarHBondContact O-CD 3.34Å
312	T	92.7	Very high	88.4	Confident	33 Å²	33	58 Å²	58	20%	0.202	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-53.5	123.8	-177.4	-57.1	0	0	0	0	110.3	T137 E138 E271 P310 L314	T137-T312 CarbonylContact C-O 3.59Å; T137-T312 VanDerWaalsContact CA-O 3.28Å; T137-T312 WeakPolarHBondContact CA-O 3.18Å; E138-T312 PolarHBondContact N-O 3.36Å; E271-T312 HydrophobicContact CB-CG2 3.46Å; E271-T312 VanDerWaalsContact CB-CG2 3.46Å; P310-T312 WeakPolarHBondContact CB-OG1 3.37Å; P310-T312 PolarHBondContact O-N 3.24Å; T312-L314 PolarHBondContact O-N 2.98Å
313	P	94.5	Very high	87.7	Confident	83 Å²	83	61.7 Å²	61.7	54%	0.539	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	131.9	171.9	-22.6	34.5	0	0	0	111	A135 Q311	A135-P313 HydrophobicContact CB-CB 4.11Å; Q311-P313 WeakPolarHBondContact O-CD 3.34Å
314	L	94.7	Very high	86.9	Confident	14 Å²	14	69.9 Å²	69.9	7%	0.073	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	150.8	178.6	-57.4	171	0	0	0	110.7	F136 E138 A141 L235 V272 T312 T316	F136-L314 HydrophobicContact CD1-CB 4.36Å; F136-L314 HydrophobicContact CD1-CD1 3.75Å; F136-L314 HydrophobicContact CE1-CD1 3.84Å; F136-L314 WeakPolarHBondContact O-CB 3.36Å; F136-L314 PolarHBondContact O-N 2.82Å; E138-L314 HydrophobicContact CB-CD2 4.3Å; A141-L314 HydrophobicContact CB-CD1 4.14Å; L235-L314 HydrophobicContact CD2-CD1 3.94Å; L235-L314 HydrophobicContact CD2-CD2 4.18Å; V272-L314 HydrophobicContact CG2-CD2 3.92Å; T312-L314 PolarHBondContact O-N 2.98Å; L314-T316 WeakPolarHBondContact CB-OG1 3.38Å; L314-T316 PolarHBondContact O-N 2.97Å
315	H	92.5	Very high	86.4	Confident	60 Å²	60	74.1 Å²	74.1	28%	0.278	37%	0.365	S	S	.	.	S	Bend	trans	-77.1	-8	176.6	-66.4	-105.9	0	0	0	112.9	E268 S317 R318 V319	E268-H315 HydrophobicContact CB-CB 4.41Å; E268-H315 HydrophobicContact CG-CB 3.7Å; H315-S317 PolarHBondContact O-N 2.87Å; H315-R318 PolarHBondContact ND1-NH2 3.38Å; H315-R318 WeakPolarHBondContact O-CB 3.37Å; H315-R318 PolarHBondContact O-N 2.97Å; H315-V319 HydrophobicContact CB-CG2 4.22Å; H315-V319 PolarHBondContact O-N 3.32Å
316	T	92.5	Very high	86.4	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-45.4	-53.6	-173.3	-48.4	0	0	0	0	113.8	I128 F136 L234 L235 L314 R318 V319 L320	I128-T316 HydrophobicContact CG2-CG2 4.08Å; F136-T316 HydrophobicContact CD1-CG2 4.07Å; F136-T316 HydrophobicContact CE1-CG2 4.26Å; L234-T316 WeakPolarHBondContact O-CB 3.02Å; L234-T316 VanDerWaalsContact O-CG2 3.24Å; L234-T316 WeakPolarHBondContact O-CG2 3.45Å; L234-T316 PolarHBondContact O-OG1 3.36Å; L235-T316 PolarHBondContact O-OG1 3.04Å; L314-T316 WeakPolarHBondContact CB-OG1 3.38Å; L314-T316 PolarHBondContact O-N 2.97Å; T316-R318 VanDerWaalsContact C-N 3.27Å; T316-R318 PolarHBondContact O-N 2.76Å; T316-V319 PolarHBondContact O-N 3.38Å; T316-L320 HydrophobicContact CG2-CD1 3.82Å; T316-L320 WeakPolarHBondContact O-CB 3.42Å; T316-L320 VanDerWaalsContact O-CG 3.28Å; T316-L320 WeakPolarHBondContact O-CG 3.13Å; T316-L320 PolarHBondContact O-N 3.19Å
317	S	91.3	Very high	87.2	Confident	9 Å²	9	69 Å²	69	6%	0.063	34%	0.337	C	S	.	.	H	α-helix	trans	-63.3	-34.6	-177.7	-55.7	0	0	0	0	112.7	I128 F136 H315 K321	I128-S317 WeakPolarHBondContact CG2-OG 3.43Å; I128-S317 PolarHBondContact O-OG 3.21Å; F136-S317 VanDerWaalsContact CB-OG 3.32Å; F136-S317 WeakPolarHBondContact CB-OG 3.43Å; H315-S317 PolarHBondContact O-N 2.87Å; S317-K321 VanDerWaalsContact O-CG 3.27Å; S317-K321 WeakPolarHBondContact O-CG 3.4Å; S317-K321 PolarHBondContact O-N 3.46Å
318	R	90.4	Very high	87.6	Confident	99 Å²	99	68.2 Å²	68.2	37%	0.374	33%	0.332	S	S	.	.	H	α-helix	trans	-72.4	-49.7	178.5	178.4	-172.7	64.4	83.3	2.6	110.4	E268 H315 T316 L320 K321 E322	E268-R318 IonicContact OE1-NH2 2.89Å; E268-R318 PolarHBondContact OE1-NH2 3.23Å; E268-R318 VanDerWaalsContact OE1-NH2 3.11Å; H315-R318 PolarHBondContact ND1-NH2 3.38Å; H315-R318 WeakPolarHBondContact O-CB 3.37Å; H315-R318 PolarHBondContact O-N 2.97Å; T316-R318 VanDerWaalsContact C-N 3.27Å; T316-R318 PolarHBondContact O-N 2.76Å; R318-L320 PolarHBondContact O-N 2.96Å; R318-K321 WeakPolarHBondContact O-CB 3.49Å; R318-K321 PolarHBondContact O-N 3.29Å; R318-K321 VanDerWaalsContact O-N 3.09Å; R318-E322 WeakPolarHBondContact CD-OE1 3.46Å; R318-E322 HydrophobicContact CG-CG 4.42Å; R318-E322 WeakPolarHBondContact CG-OE1 3.5Å; R318-E322 IonicContact CZ-OE1 3.7Å; R318-E322 IonicContact CZ-OE2 2.83Å; R318-E322 IonicContact NH1-OE1 2.78Å; R318-E322 PolarHBondContact NH1-OE1 3.4Å; R318-E322 IonicContact NH1-OE2 2.9Å; R318-E322 PolarHBondContact NH1-OE2 2.74Å; R318-E322 WeakPolarHBondContact O-CG 3.07Å; R318-E322 PolarHBondContact O-N 3.1Å
319	V	90.3	Very high	87.5	Confident	6 Å²	6	64 Å²	64	4%	0.036	31%	0.312	C	S	.	.	H	α-helix	trans	-60.7	-45.5	-179.3	175.1	0	0	0	0	111.2	Y238 E268 H315 T316 K321 E322 E323	Y238-V319 HydrophobicContact CD1-CG1 4.15Å; E268-V319 HydrophobicContact CG-CG2 4.34Å; H315-V319 HydrophobicContact CB-CG2 4.22Å; H315-V319 PolarHBondContact O-N 3.32Å; T316-V319 PolarHBondContact O-N 3.38Å; V319-K321 PolarHBondContact O-N 3.25Å; V319-E322 PolarHBondContact O-N 3.41Å; V319-E323 HydrophobicContact CG1-CG 4.46Å; V319-E323 WeakPolarHBondContact O-CB 3.5Å; V319-E323 PolarHBondContact O-N 2.72Å
320	L	88.8	Confident	87.2	Confident	4 Å²	4	64.4 Å²	64.4	2%	0.021	31%	0.314	C	S	.	.	H	α-helix	trans	-62.5	-27.6	176.8	-70.3	169.9	0	0	0	113.4	F125 I128 Q129 G237 T316 R318 W327	F125-L320 HydrophobicContact CD1-CD1 3.85Å; F125-L320 HydrophobicContact CD1-CD2 4.45Å; I128-L320 HydrophobicContact CB-CD1 4.41Å; I128-L320 HydrophobicContact CG2-CD1 4.1Å; Q129-L320 HydrophobicContact CB-CB 4.37Å; Q129-L320 HydrophobicContact CG-CB 4.41Å; Q129-L320 PolarHBondContact NE2-O 3.33Å; G237-L320 VanDerWaalsContact O-CD2 3.25Å; G237-L320 WeakPolarHBondContact O-CD2 3.39Å; T316-L320 HydrophobicContact CG2-CD1 3.82Å; T316-L320 WeakPolarHBondContact O-CB 3.42Å; T316-L320 VanDerWaalsContact O-CG 3.28Å; T316-L320 WeakPolarHBondContact O-CG 3.13Å; T316-L320 PolarHBondContact O-N 3.19Å; R318-L320 PolarHBondContact O-N 2.96Å; L320-W327 HydrophobicContact CD2-CD2 4.1Å; L320-W327 HydrophobicContact CD2-CE3 3.57Å; L320-W327 HydrophobicContact CD2-CH2 4.29Å; L320-W327 HydrophobicContact CD2-CZ3 3.68Å
321	K	87.6	Confident	86.9	Confident	83 Å²	83	63 Å²	63	36%	0.361	30%	0.303	S	S	.	.	H	α-helix	trans	-76.8	-44	173.9	-76.8	177.2	-173.1	177.6	0	111.9	Q129 G132 S317 R318 V319	Q129-K321 HydrophobicContact CG-CG 3.74Å; Q129-K321 WeakPolarHBondContact O-CE 3.47Å; G132-K321 PolarHBondContact O-NZ 3.33Å; S317-K321 VanDerWaalsContact O-CG 3.27Å; S317-K321 WeakPolarHBondContact O-CG 3.4Å; S317-K321 PolarHBondContact O-N 3.46Å; R318-K321 WeakPolarHBondContact O-CB 3.49Å; R318-K321 PolarHBondContact O-N 3.29Å; R318-K321 VanDerWaalsContact O-N 3.09Å; V319-K321 PolarHBondContact O-N 3.25Å
322	E	86.8	Confident	86.4	Confident	125 Å²	125	64.2 Å²	64.2	58%	0.584	31%	0.309	S	S	*	.	H	α-helix	trans	-66.8	-40.5	-179.4	-72.1	171.9	-170.4	0	0	111.4	R318 V319	R318-E322 WeakPolarHBondContact CD-OE1 3.46Å; R318-E322 HydrophobicContact CG-CG 4.42Å; R318-E322 WeakPolarHBondContact CG-OE1 3.5Å; R318-E322 IonicContact CZ-OE1 3.7Å; R318-E322 IonicContact CZ-OE2 2.83Å; R318-E322 IonicContact NH1-OE1 2.78Å; R318-E322 PolarHBondContact NH1-OE1 3.4Å; R318-E322 IonicContact NH1-OE2 2.9Å; R318-E322 PolarHBondContact NH1-OE2 2.74Å; R318-E322 WeakPolarHBondContact O-CG 3.07Å; R318-E322 PolarHBondContact O-N 3.1Å; V319-E322 PolarHBondContact O-N 3.41Å
323	E	81.1	Confident	85.7	Confident	87 Å²	87	64.9 Å²	64.9	41%	0.407	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	33.2	-176	-61	-168.6	173.6	0	0	113.2	V319 D325 A326 W327	V319-E323 HydrophobicContact CG1-CG 4.46Å; V319-E323 WeakPolarHBondContact O-CB 3.5Å; V319-E323 PolarHBondContact O-N 2.72Å; E323-D325 VanDerWaalsContact C-N 3.25Å; E323-D325 PolarHBondContact O-N 3.25Å; E323-A326 HydrophobicContact CB-CB 4.25Å; E323-A326 PolarHBondContact O-N 3.46Å; E323-A326 VanDerWaalsContact O-N 3.08Å; E323-W327 PolarHBondContact O-N 3.38Å
324	R	79	Confident	85	Confident	172 Å²	172	61.7 Å²	61.7	65%	0.649	29%	0.288	S	S	*	.	H	α-helix	trans	-55.2	-39.8	-176.3	-177.1	179.7	-179.3	-165.3	0.3	113.2	W327	R324-W327 WeakPolarHBondContact O-CB 3.27Å; R324-W327 PolarHBondContact O-N 3Å
325	D	78.8	Confident	84.4	Confident	148 Å²	148	63 Å²	63	79%	0.791	30%	0.297	S	S	*	.	H	α-helix	trans	-71.7	-34.6	-178.7	-64.7	-23.6	0	0	0	111.6	E323 W327	E323-D325 VanDerWaalsContact C-N 3.25Å; E323-D325 PolarHBondContact O-N 3.25Å; D325-W327 VanDerWaalsContact C-N 3.3Å; D325-W327 PolarHBondContact O-N 3.27Å
326	A	79.9	Confident	83.8	Confident	34 Å²	34	62.9 Å²	62.9	28%	0.281	30%	0.303	S	S	.	.	H	α-helix	trans	-72.9	-23.3	176	0	0	0	0	0	112.3	E323 E328 E329 V330	E323-A326 HydrophobicContact CB-CB 4.25Å; E323-A326 PolarHBondContact O-N 3.46Å; E323-A326 VanDerWaalsContact O-N 3.08Å; A326-E328 VanDerWaalsContact C-N 3.26Å; A326-E328 PolarHBondContact O-N 2.89Å; A326-E329 WeakPolarHBondContact O-CB 3.44Å; A326-E329 PolarHBondContact O-N 3.08Å; A326-V330 WeakPolarHBondContact O-CG2 3.31Å; A326-V330 PolarHBondContact O-N 2.91Å
327	W	83.4	Confident	82.9	Confident	13 Å²	13	63.7 Å²	63.7	5%	0.049	31%	0.309	C	S	.	.	H	α-helix	trans	-59.5	-34.2	-179.4	-177.3	-113.4	0	0	0	113.6	F125 P167 I233 L320 E323 R324 D325 V330 K331	F125-W327 HydrophobicContact CB-CH2 3.97Å; F125-W327 HydrophobicContact CB-CZ2 3.42Å; F125-W327 VanDerWaalsContact CB-CZ2 3.42Å; F125-W327 AromaticContact CD1-CH2 3.81Å; F125-W327 HydrophobicContact CD1-CH2 3.81Å; F125-W327 HydrophobicContact CD1-CZ2 4.17Å; F125-W327 AromaticContact CD2-CH2 3.76Å; F125-W327 HydrophobicContact CD2-CH2 3.76Å; F125-W327 AromaticContact CD2-CZ2 3.67Å; F125-W327 HydrophobicContact CD2-CZ2 3.67Å; F125-W327 HydrophobicContact CE1-CH2 4.22Å; F125-W327 HydrophobicContact CE2-CH2 4.14Å; F125-W327 HydrophobicContact CE2-CZ2 4.45Å; F125-W327 AromaticContact CG-CH2 3.55Å; F125-W327 HydrophobicContact CG-CH2 3.55Å; F125-W327 AromaticContact CG-CZ2 3.47Å; F125-W327 HydrophobicContact CG-CZ2 3.47Å; F125-W327 VanDerWaalsContact CG-CZ2 3.47Å; F125-W327 HydrophobicContact CZ-CH2 4.35Å; P167-W327 HydrophobicContact CB-CH2 4.46Å; P167-W327 HydrophobicContact CB-CZ2 3.97Å; P167-W327 HydrophobicContact CG-CH2 4.13Å; P167-W327 HydrophobicContact CG-CZ2 4.12Å; I233-W327 HydrophobicContact CG2-CH2 3.88Å; I233-W327 HydrophobicContact CG2-CZ3 3.7Å; L320-W327 HydrophobicContact CD2-CD2 4.1Å; L320-W327 HydrophobicContact CD2-CE3 3.57Å; L320-W327 HydrophobicContact CD2-CH2 4.29Å; L320-W327 HydrophobicContact CD2-CZ3 3.68Å; E323-W327 PolarHBondContact O-N 3.38Å; R324-W327 WeakPolarHBondContact O-CB 3.27Å; R324-W327 PolarHBondContact O-N 3Å; D325-W327 VanDerWaalsContact C-N 3.3Å; D325-W327 PolarHBondContact O-N 3.27Å; W327-V330 HydrophobicContact CE3-CB 4.16Å; W327-V330 HydrophobicContact CE3-CG1 4.14Å; W327-V330 HydrophobicContact CZ3-CB 4.44Å; W327-V330 HydrophobicContact CZ3-CG1 3.91Å; W327-V330 PolarHBondContact O-N 3.27Å; W327-K331 HydrophobicContact CZ2-CG 4.43Å; W327-K331 PolarHBondContact O-N 3.31Å; W327-K331 VanDerWaalsContact O-N 3.1Å
328	E	83.8	Confident	82.3	Confident	102 Å²	102	63.5 Å²	63.5	48%	0.477	31%	0.308	S	S	.	.	H	α-helix	trans	-65.6	-40.8	174.3	-65.5	-58.1	142	0	0	111.5	A326 V330 K331 E332	A326-E328 VanDerWaalsContact C-N 3.26Å; A326-E328 PolarHBondContact O-N 2.89Å; E328-V330 VanDerWaalsContact C-N 3.34Å; E328-V330 PolarHBondContact O-N 3.36Å; E328-K331 WeakPolarHBondContact O-CB 3.5Å; E328-K331 PolarHBondContact O-N 2.95Å; E328-K331 VanDerWaalsContact OE1-CE 3.27Å; E328-K331 WeakPolarHBondContact OE1-CE 3.42Å; E328-K331 IonicContact OE1-NZ 3.11Å; E328-K331 PolarHBondContact OE1-NZ 2.94Å; E328-K331 WeakPolarHBondContact OE2-CE 3.3Å; E328-K331 IonicContact OE2-NZ 2.67Å; E328-K331 PolarHBondContact OE2-NZ 3.36Å; E328-E332 PolarHBondContact O-N 3.21Å; E328-E332 VanDerWaalsContact O-N 3.08Å
329	E	81.4	Confident	81.6	Confident	98 Å²	98	61.8 Å²	61.8	46%	0.458	32%	0.315	S	S	.	.	H	α-helix	trans	-63.5	-40.4	175.1	-57.6	-175.2	176.8	0	0	111.4	A326 K331 E332 E333	A326-E329 WeakPolarHBondContact O-CB 3.44Å; A326-E329 PolarHBondContact O-N 3.08Å; E329-K331 VanDerWaalsContact C-N 3.32Å; E329-K331 PolarHBondContact O-N 3.24Å; E329-E332 PolarHBondContact O-N 3.38Å; E329-E333 WeakPolarHBondContact O-CG 3.41Å; E329-E333 PolarHBondContact O-N 3.2Å
330	V	80.8	Confident	80.7	Confident	14 Å²	14	66.3 Å²	66.3	9%	0.085	34%	0.342	C	S	.	.	H	α-helix	trans	-57.8	-45.2	175.2	174.3	0	0	0	0	111.1	I233 P239 A326 W327 E328 E333 M334	I233-V330 HydrophobicContact CD1-CG1 4.4Å; P239-V330 HydrophobicContact CB-CG1 4.11Å; P239-V330 HydrophobicContact CG-CB 4.4Å; P239-V330 HydrophobicContact CG-CG1 3.82Å; P239-V330 HydrophobicContact CG-CG2 3.74Å; A326-V330 WeakPolarHBondContact O-CG2 3.31Å; A326-V330 PolarHBondContact O-N 2.91Å; W327-V330 HydrophobicContact CE3-CB 4.16Å; W327-V330 HydrophobicContact CE3-CG1 4.14Å; W327-V330 HydrophobicContact CZ3-CB 4.44Å; W327-V330 HydrophobicContact CZ3-CG1 3.91Å; W327-V330 PolarHBondContact O-N 3.27Å; E328-V330 VanDerWaalsContact C-N 3.34Å; E328-V330 PolarHBondContact O-N 3.36Å; V330-E333 PolarHBondContact O-N 2.81Å; V330-M334 HydrophobicContact CG1-SD 4.43Å; V330-M334 WeakPolarHBondContact O-CG 3.34Å; V330-M334 PolarHBondContact O-N 3.28Å
331	K	82.6	Confident	79.9	Confident	20 Å²	20	68.3 Å²	68.3	9%	0.087	35%	0.352	C	S	.	.	H	α-helix	trans	-62.4	-44.3	177.7	-77.7	-172.2	-71.1	171.8	0	112.4	E168 W327 E328 E329 M334 T335	E168-K331 HydrophobicContact CG-CD 3.67Å; E168-K331 HydrophobicContact CG-CG 4.27Å; E168-K331 WeakPolarHBondContact OE1-CB 3.48Å; W327-K331 HydrophobicContact CZ2-CG 4.43Å; W327-K331 PolarHBondContact O-N 3.31Å; W327-K331 VanDerWaalsContact O-N 3.1Å; E328-K331 WeakPolarHBondContact O-CB 3.5Å; E328-K331 PolarHBondContact O-N 2.95Å; E328-K331 VanDerWaalsContact OE1-CE 3.27Å; E328-K331 WeakPolarHBondContact OE1-CE 3.42Å; E328-K331 IonicContact OE1-NZ 3.11Å; E328-K331 PolarHBondContact OE1-NZ 2.94Å; E328-K331 WeakPolarHBondContact OE2-CE 3.3Å; E328-K331 IonicContact OE2-NZ 2.67Å; E328-K331 PolarHBondContact OE2-NZ 3.36Å; E329-K331 VanDerWaalsContact C-N 3.32Å; E329-K331 PolarHBondContact O-N 3.24Å; K331-M334 PolarHBondContact O-N 2.77Å; K331-T335 WeakPolarHBondContact O-CB 3.38Å; K331-T335 PolarHBondContact O-N 2.92Å; K331-T335 PolarHBondContact O-OG1 3.11Å; K331-T335 VanDerWaalsContact O-OG1 3.12Å
332	E	81.8	Confident	79.1	Confident	145 Å²	145	65.7 Å²	65.7	68%	0.678	34%	0.34	S	S	*	.	H	α-helix	trans	-62.3	-43.2	176.4	-71.2	-171.4	173.5	0	0	112.1	E328 E329 T335 S336	E328-E332 PolarHBondContact O-N 3.21Å; E328-E332 VanDerWaalsContact O-N 3.08Å; E329-E332 PolarHBondContact O-N 3.38Å; E332-T335 WeakPolarHBondContact O-CB 3.37Å; E332-T335 PolarHBondContact O-N 2.79Å; E332-S336 WeakPolarHBondContact O-CB 3.12Å; E332-S336 PolarHBondContact O-N 2.92Å
333	E	78.1	Confident	78.2	Confident	46 Å²	46	62.7 Å²	62.7	22%	0.215	33%	0.33	C	S	.	.	H	α-helix	trans	-66.7	-41.4	178.6	-73.9	-166.7	156.8	0	0	112.3	I249 M253 E329 V330 T335 S336 A337	I249-E333 PolarHBondContact N-OE1 3.48Å; M253-E333 VanDerWaalsContact CE-OE2 3.25Å; M253-E333 WeakPolarHBondContact CE-OE2 3.39Å; E329-E333 WeakPolarHBondContact O-CG 3.41Å; E329-E333 PolarHBondContact O-N 3.2Å; V330-E333 PolarHBondContact O-N 2.81Å; E333-T335 VanDerWaalsContact C-N 3.32Å; E333-T335 PolarHBondContact O-N 3.27Å; E333-S336 WeakPolarHBondContact O-CB 3.38Å; E333-S336 PolarHBondContact O-N 3.5Å; E333-A337 WeakPolarHBondContact O-CB 3.46Å; E333-A337 PolarHBondContact O-N 3.08Å
334	M	80.6	Confident	77.4	Confident	16 Å²	16	62.6 Å²	62.6	8%	0.079	33%	0.332	C	S	.	.	H	α-helix	trans	-59.8	-44.7	172.9	-75.9	-172.5	71.4	0	0	111.2	P167 V229 I230 I233 V330 K331 S336 A337 L338	P167-M334 HydrophobicContact CG-CE 4.19Å; P167-M334 HydrophobicContact CG-SD 3.84Å; V229-M334 HydrophobicContact CB-CE 4.1Å; V229-M334 HydrophobicContact CG1-CE 3.46Å; V229-M334 VanDerWaalsContact CG1-CE 3.46Å; V229-M334 HydrophobicContact CG1-CG 4.28Å; V229-M334 HydrophobicContact CG1-SD 3.9Å; I230-M334 HydrophobicContact CG1-CE 4.28Å; I233-M334 HydrophobicContact CD1-CE 4.39Å; I233-M334 HydrophobicContact CD1-SD 3.6Å; I233-M334 VanDerWaalsContact CD1-SD 3.6Å; V330-M334 HydrophobicContact CG1-SD 4.43Å; V330-M334 WeakPolarHBondContact O-CG 3.34Å; V330-M334 PolarHBondContact O-N 3.28Å; K331-M334 PolarHBondContact O-N 2.77Å; M334-S336 VanDerWaalsContact C-N 3.32Å; M334-S336 PolarHBondContact O-N 3.05Å; M334-A337 PolarHBondContact O-N 3.2Å; M334-L338 WeakPolarHBondContact O-CG 3.48Å; M334-L338 PolarHBondContact O-N 2.85Å
335	T	82.1	Confident	76.5	Confident	42 Å²	42	59.3 Å²	59.3	26%	0.258	32%	0.32	S	S	.	.	H	α-helix	trans	-59.7	-43.1	175.5	-66.6	0	0	0	0	111.3	K166 K331 E332 E333 A339	K166-T335 PolarHBondContact NZ-OG1 3.26Å; K331-T335 WeakPolarHBondContact O-CB 3.38Å; K331-T335 PolarHBondContact O-N 2.92Å; K331-T335 PolarHBondContact O-OG1 3.11Å; K331-T335 VanDerWaalsContact O-OG1 3.12Å; E332-T335 WeakPolarHBondContact O-CB 3.37Å; E332-T335 PolarHBondContact O-N 2.79Å; E333-T335 VanDerWaalsContact C-N 3.32Å; E333-T335 PolarHBondContact O-N 3.27Å; T335-A339 PolarHBondContact O-N 2.75Å; T335-A339 VanDerWaalsContact O-N 3.14Å
336	S	78.1	Confident	75.4	Confident	58 Å²	58	57.9 Å²	57.9	41%	0.406	31%	0.309	S	S	.	.	H	α-helix	trans	-64.4	-45.4	177.2	-165.1	0	0	0	0	112.6	E332 E333 M334 L338 A339 T340	E332-S336 WeakPolarHBondContact O-CB 3.12Å; E332-S336 PolarHBondContact O-N 2.92Å; E333-S336 WeakPolarHBondContact O-CB 3.38Å; E333-S336 PolarHBondContact O-N 3.5Å; M334-S336 VanDerWaalsContact C-N 3.32Å; M334-S336 PolarHBondContact O-N 3.05Å; S336-L338 PolarHBondContact O-N 3.44Å; S336-A339 WeakPolarHBondContact O-CB 3.44Å; S336-A339 PolarHBondContact O-N 3.46Å; S336-T340 PolarHBondContact O-N 3.37Å
337	A	75.6	Confident	74.1	Confident	16 Å²	16	63.1 Å²	63.1	13%	0.132	33%	0.328	C	S	.	.	H	α-helix	trans	-60.3	-47.2	179.1	0	0	0	0	0	111	I257 E333 M334 A339 T340 M341	I257-A337 HydrophobicContact CD1-CB 4.24Å; E333-A337 WeakPolarHBondContact O-CB 3.46Å; E333-A337 PolarHBondContact O-N 3.08Å; M334-A337 PolarHBondContact O-N 3.2Å; A337-A339 VanDerWaalsContact C-N 3.31Å; A337-A339 PolarHBondContact O-N 2.93Å; A337-T340 PolarHBondContact O-N 3.5Å; A337-T340 PolarHBondContact O-OG1 3.31Å; A337-M341 WeakPolarHBondContact O-CG 3.5Å; A337-M341 PolarHBondContact O-N 3.11Å; A337-M341 VanDerWaalsContact O-N 3.11Å
338	L	77.3	Confident	72.8	Confident	6 Å²	6	70.1 Å²	70.1	3%	0.031	36%	0.364	C	S	.	.	H	α-helix	trans	-62.6	-38	178.2	-65.7	170.6	0	0	0	112.4	K166 S226 M334 S336 T340 M341 R342	K166-L338 HydrophobicContact CB-CD1 4.04Å; K166-L338 HydrophobicContact CD-CD1 4.39Å; S226-L338 WeakPolarHBondContact OG-CD2 3.46Å; M334-L338 WeakPolarHBondContact O-CG 3.48Å; M334-L338 PolarHBondContact O-N 2.85Å; S336-L338 PolarHBondContact O-N 3.44Å; L338-T340 PolarHBondContact O-N 3.4Å; L338-M341 PolarHBondContact O-N 2.91Å; L338-M341 VanDerWaalsContact O-N 3.15Å; L338-R342 VanDerWaalsContact O-CG 3.26Å; L338-R342 WeakPolarHBondContact O-CG 3.43Å; L338-R342 PolarHBondContact O-N 2.96Å
339	A	76.6	Confident	71.5	Confident	63 Å²	63	74.5 Å²	74.5	52%	0.521	38%	0.382	S	S	.	.	H	α-helix	trans	-59.3	-34.4	175	0	0	0	0	0	112.4	T335 S336 A337	T335-A339 PolarHBondContact O-N 2.75Å; T335-A339 VanDerWaalsContact O-N 3.14Å; S336-A339 WeakPolarHBondContact O-CB 3.44Å; S336-A339 PolarHBondContact O-N 3.46Å; A337-A339 VanDerWaalsContact C-N 3.31Å; A337-A339 PolarHBondContact O-N 2.93Å
340	T	71.9	Confident	70.8	Confident	100 Å²	100	77.5 Å²	77.5	61%	0.613	40%	0.399	S	S	*	.	H	α-helix	trans	-79.2	-24.4	176.8	66.6	0	0	0	0	114.4	S336 A337 L338	S336-T340 PolarHBondContact O-N 3.37Å; A337-T340 PolarHBondContact O-N 3.5Å; A337-T340 PolarHBondContact O-OG1 3.31Å; L338-T340 PolarHBondContact O-N 3.4Å
341	M	70.5	Confident	70.3	Confident	47 Å²	47	83.3 Å²	83.3	23%	0.232	42%	0.424	C	S	.	.	H	α-helix	trans	-84.7	-25.1	179.5	-68.3	-174	72.3	0	0	112.5	W225 A337 L338	W225-M341 HydrophobicContact CB-CE 3.67Å; W225-M341 HydrophobicContact CB-SD 4.35Å; W225-M341 HydrophobicContact CD2-CE 3.62Å; W225-M341 HydrophobicContact CD2-SD 3.9Å; W225-M341 HydrophobicContact CE3-CE 4.04Å; W225-M341 HydrophobicContact CG-CE 3.45Å; W225-M341 VanDerWaalsContact CG-CE 3.45Å; W225-M341 HydrophobicContact CG-SD 3.67Å; A337-M341 WeakPolarHBondContact O-CG 3.5Å; A337-M341 PolarHBondContact O-N 3.11Å; A337-M341 VanDerWaalsContact O-N 3.11Å; L338-M341 PolarHBondContact O-N 2.91Å; L338-M341 VanDerWaalsContact O-N 3.15Å
342	R	72.3	Confident	70.1	Confident	28 Å²	28	85.7 Å²	85.7	11%	0.106	44%	0.44	C	S	.	.	S	Bend	trans	-72.8	130.4	174	-69.9	169.5	-152.9	169.2	11.7	110	R163 D164 F188 L338 D344	R163-R342 HydrophobicContact CB-CG 4.07Å; R163-R342 PolarHBondContact O-NE 3.09Å; R163-R342 PolarHBondContact O-NH2 3.23Å; D164-R342 VanDerWaalsContact CG-NH2 3.31Å; D164-R342 IonicContact OD1-CZ 3.27Å; D164-R342 IonicContact OD1-NH1 2.89Å; D164-R342 IonicContact OD1-NH2 3.93Å; D164-R342 PolarHBondContact OD1-NH2 2.99Å; F188-R342 VanDerWaalsContact CE2-NH1 3.29Å; L338-R342 VanDerWaalsContact O-CG 3.26Å; L338-R342 WeakPolarHBondContact O-CG 3.43Å; L338-R342 PolarHBondContact O-N 2.96Å; R342-D344 PolarHBondContact O-N 3.18Å
343	V	66.8	Low	69.7	Low	62 Å²	62	84.3 Å²	84.3	38%	0.376	44%	0.436	S	S	.	.			trans	-80.7	114.2	163.9	-175.8	0	0	0	0	107.6	R163 Y345	R163-V343 PolarHBondContact NH1-O 2.89Å; V343-Y345 HydrophobicContact CB-CD2 4.49Å; V343-Y345 HydrophobicContact CB-CE1 4.3Å; V343-Y345 HydrophobicContact CB-CE2 3.72Å; V343-Y345 VanDerWaalsContact CB-OH 3.31Å; V343-Y345 WeakPolarHBondContact CB-OH 2.97Å; V343-Y345 HydrophobicContact CG1-CD1 4.08Å; V343-Y345 HydrophobicContact CG1-CD2 4.28Å; V343-Y345 HydrophobicContact CG1-CE1 3.58Å; V343-Y345 HydrophobicContact CG1-CE2 3.8Å; V343-Y345 HydrophobicContact CG1-CG 4.38Å; V343-Y345 WeakPolarHBondContact CG1-OH 2.7Å; V343-Y345 VanDerWaalsContact O-CD2 3.28Å; V343-Y345 WeakPolarHBondContact O-CD2 2.84Å; V343-Y345 VanDerWaalsContact O-CE2 3.25Å; V343-Y345 WeakPolarHBondContact O-CE2 3.48Å; V343-Y345 PolarHBondContact O-N 3.45Å
344	D	64.1	Low	69.6	Low	84 Å²	84	88.3 Å²	88.3	45%	0.449	45%	0.454	S	S	.	.			trans	-85.9	101.9	170.9	-172.4	1	0	0	0	109.4	R342 E346 Q347	R342-D344 PolarHBondContact O-N 3.18Å; D344-E346 PolarHBondContact O-N 3.04Å; D344-E346 WeakPolarHBondContact OD1-CB 3.05Å; D344-E346 PolarHBondContact OD1-N 3.07Å; D344-Q347 HydrophobicContact CB-CG 4.04Å; D344-Q347 WeakPolarHBondContact O-CB 3.25Å; D344-Q347 WeakPolarHBondContact O-CG 3.37Å; D344-Q347 PolarHBondContact O-N 3.14Å
345	Y	60.2	Low	69.4	Low	103 Å²	103	92.5 Å²	92.5	40%	0.404	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-7.1	178.6	-59.1	-85.9	0	0	0	112.8	K190 P215 V343 Q347	K190-Y345 HydrophobicContact CD-CD2 4.34Å; K190-Y345 HydrophobicContact CD-CE2 4.46Å; P215-Y345 HydrophobicContact CB-CE1 3.73Å; P215-Y345 VanDerWaalsContact CB-CZ 3.47Å; P215-Y345 WeakPolarHBondContact CB-OH 3.31Å; P215-Y345 HydrophobicContact CG-CE1 4.22Å; V343-Y345 HydrophobicContact CB-CD2 4.49Å; V343-Y345 HydrophobicContact CB-CE1 4.3Å; V343-Y345 HydrophobicContact CB-CE2 3.72Å; V343-Y345 VanDerWaalsContact CB-OH 3.31Å; V343-Y345 WeakPolarHBondContact CB-OH 2.97Å; V343-Y345 HydrophobicContact CG1-CD1 4.08Å; V343-Y345 HydrophobicContact CG1-CD2 4.28Å; V343-Y345 HydrophobicContact CG1-CE1 3.58Å; V343-Y345 HydrophobicContact CG1-CE2 3.8Å; V343-Y345 HydrophobicContact CG1-CG 4.38Å; V343-Y345 WeakPolarHBondContact CG1-OH 2.7Å; V343-Y345 VanDerWaalsContact O-CD2 3.28Å; V343-Y345 WeakPolarHBondContact O-CD2 2.84Å; V343-Y345 VanDerWaalsContact O-CE2 3.25Å; V343-Y345 WeakPolarHBondContact O-CE2 3.48Å; V343-Y345 PolarHBondContact O-N 3.45Å; Y345-Q347 VanDerWaalsContact C-N 3.26Å
346	E	55.9	Low	69.2	Low	119 Å²	119	91.5 Å²	91.5	56%	0.556	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-0	170.7	-61.7	-177.5	168.8	0	0	111.6	R81 D344 I348	R81-E346 IonicContact NH2-OE1 2.81Å; R81-E346 PolarHBondContact NH2-OE1 3.07Å; D344-E346 PolarHBondContact O-N 3.04Å; D344-E346 WeakPolarHBondContact OD1-CB 3.05Å; D344-E346 PolarHBondContact OD1-N 3.07Å; E346-I348 PolarHBondContact O-N 3.25Å
347	Q	53.2	Low	69	Low	144 Å²	144	94.1 Å²	94.1	67%	0.673	49%	0.485	S	S	*	.	S	Bend	trans	-60.3	135.5	171	-76.7	-176.8	3	0	0	111.4	D344 Y345 K349	D344-Q347 HydrophobicContact CB-CG 4.04Å; D344-Q347 WeakPolarHBondContact O-CB 3.25Å; D344-Q347 WeakPolarHBondContact O-CG 3.37Å; D344-Q347 PolarHBondContact O-N 3.14Å; Y345-Q347 VanDerWaalsContact C-N 3.26Å; Q347-K349 PolarHBondContact O-N 2.87Å
348	I	55.3	Low	69.5	Low	159 Å²	159	96.7 Å²	96.7	82%	0.815	50%	0.497	S	S	*	.			trans	-50.3	116	175.4	-60	168.7	0	0	0	108.2	E346 I350	E346-I348 PolarHBondContact O-N 3.25Å; I348-I350 PolarHBondContact O-N 3.05Å
349	K	57.1	Low	69.6	Low	195 Å²	195	101.8 Å²	101.8	85%	0.848	53%	0.53	S	S	*	.			trans	-59.2	115.4	168.1	-72.3	-174.3	179.1	-177.9	0	107.3	Q347 K351	Q347-K349 PolarHBondContact O-N 2.87Å; K349-K351 PolarHBondContact O-N 3.08Å; K349-K351 VanDerWaalsContact O-N 3.12Å
350	I	65.8	Low	69.8	Low	160 Å²	160	104.2 Å²	104.2	82%	0.821	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-58.7	121.3	174.1	-60	175.4	0	0	0	106.1	I348	I348-I350 PolarHBondContact O-N 3.05Å
351	K	71.6	Confident	70.3	Confident	137 Å²	137	101.3 Å²	101.3	60%	0.596	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-58	153.3	174.8	-67.5	-175.9	-177.9	-176.4	0	108.6	K349 D355 S356	K349-K351 PolarHBondContact O-N 3.08Å; K349-K351 VanDerWaalsContact O-N 3.12Å; K351-D355 HydrophobicContact CB-CB 4.04Å; K351-D355 HydrophobicContact CD-CB 4.39Å; K351-D355 VanDerWaalsContact CD-O 3.32Å; K351-D355 WeakPolarHBondContact CD-O 3.4Å; K351-S356 WeakPolarHBondContact CB-OG 3.42Å; K351-S356 PolarHBondContact O-OG 3.2Å
352	T	77	Confident	70.8	Confident	69 Å²	69	101.8 Å²	101.8	42%	0.423	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-51.5	158.8	170.7	63	0	0	0	0	110	E354 D355 S356	T352-E354 WeakPolarHBondContact CB-OE2 3.46Å; T352-E354 PolarHBondContact O-N 3.38Å; T352-E354 PolarHBondContact OG1-OE2 3.47Å; T352-D355 PolarHBondContact O-N 3Å; T352-D355 VanDerWaalsContact O-N 3.16Å; T352-D355 VanDerWaalsContact OG1-CB 3.26Å; T352-D355 WeakPolarHBondContact OG1-CB 3.17Å; T352-D355 PolarHBondContact OG1-N 2.63Å; T352-D355 VanDerWaalsContact OG1-N 3.12Å; T352-D355 PolarHBondContact OG1-OD2 3.28Å; T352-S356 VanDerWaalsContact O-CB 3.24Å; T352-S356 WeakPolarHBondContact O-CB 3.12Å; T352-S356 PolarHBondContact O-N 3.1Å; T352-S356 PolarHBondContact O-OG 3.3Å
353	I	74.5	Confident	71.2	Confident	116 Å²	116	108 Å²	108	60%	0.595	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-27.6	-179.3	-157.7	129.6	0	0	0	111	L361 R365	I353-L361 HydrophobicContact CD1-CD2 4.34Å; I353-L361 HydrophobicContact CG1-CD2 3.97Å; I353-R365 PolarHBondContact O-NH2 3.04Å
354	E	75.6	Confident	71.9	Confident	130 Å²	130	113.9 Å²	113.9	61%	0.607	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	-48.1	173.4	-61.6	84.8	-166.7	0	0	111.7	T352 S356 R365	T352-E354 WeakPolarHBondContact CB-OE2 3.46Å; T352-E354 PolarHBondContact O-N 3.38Å; T352-E354 PolarHBondContact OG1-OE2 3.47Å; E354-S356 VanDerWaalsContact C-N 3.34Å; E354-S356 PolarHBondContact O-N 2.8Å; E354-R365 PolarHBondContact O-NH2 2.65Å
355	D	75.4	Confident	72.8	Confident	104 Å²	104	114.3 Å²	114.3	56%	0.556	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-10.2	-174.9	-59.9	-37	0	0	0	113.7	K351 T352	K351-D355 HydrophobicContact CB-CB 4.04Å; K351-D355 HydrophobicContact CD-CB 4.39Å; K351-D355 VanDerWaalsContact CD-O 3.32Å; K351-D355 WeakPolarHBondContact CD-O 3.4Å; T352-D355 PolarHBondContact O-N 3Å; T352-D355 VanDerWaalsContact O-N 3.16Å; T352-D355 VanDerWaalsContact OG1-CB 3.26Å; T352-D355 WeakPolarHBondContact OG1-CB 3.17Å; T352-D355 PolarHBondContact OG1-N 2.63Å; T352-D355 VanDerWaalsContact OG1-N 3.12Å; T352-D355 PolarHBondContact OG1-OD2 3.28Å
356	S	78.8	Confident	73.6	Confident	22 Å²	22	117 Å²	117	15%	0.154	57%	0.573	C	S	.	*			trans	-80.4	126.4	177.2	-72.7	0	0	0	0	112.1	K351 T352 E354	K351-S356 WeakPolarHBondContact CB-OG 3.42Å; K351-S356 PolarHBondContact O-OG 3.2Å; T352-S356 VanDerWaalsContact O-CB 3.24Å; T352-S356 WeakPolarHBondContact O-CB 3.12Å; T352-S356 PolarHBondContact O-N 3.1Å; T352-S356 PolarHBondContact O-OG 3.3Å; E354-S356 VanDerWaalsContact C-N 3.34Å; E354-S356 PolarHBondContact O-N 2.8Å
357	T	74.1	Confident	74.6	Confident	112 Å²	112	118.1 Å²	118.1	69%	0.687	58%	0.576	S	S	*	*			trans	-119.7	118.6	170.9	47.9	0	0	0	0	110.2
358	N	84.8	Confident	75.6	Confident	71 Å²	71	114.8 Å²	114.8	38%	0.38	57%	0.573	S	S	.	*			trans	-144.6	162.5	168.5	75.9	38.5	0	0	0	110.5	L360 L361 T362	N358-L360 PolarHBondContact O-N 3.26Å; N358-L360 WeakPolarHBondContact OD1-CB 3.25Å; N358-L360 PolarHBondContact OD1-N 2.9Å; N358-L360 VanDerWaalsContact OD1-N 3.08Å; N358-L361 PolarHBondContact O-N 3.11Å; N358-L361 WeakPolarHBondContact OD1-CB 3.26Å; N358-L361 PolarHBondContact OD1-N 2.88Å; N358-T362 PolarHBondContact O-N 3.49Å; N358-T362 PolarHBondContact O-OG1 3.48Å
359	P	81.1	Confident	76.3	Confident	112 Å²	112	113.7 Å²	113.7	73%	0.727	57%	0.568	S	S	*	*	H	α-helix	trans	-56.8	-33.1	-175.6	-28	36.1	0	0	0	114.4	T362 K363	P359-T362 VanDerWaalsContact CA-OG1 3.31Å; P359-T362 WeakPolarHBondContact CA-OG1 3.22Å; P359-T362 PolarHBondContact O-OG1 3.07Å; P359-T362 VanDerWaalsContact O-OG1 3.11Å; P359-K363 WeakPolarHBondContact O-CB 3.45Å; P359-K363 PolarHBondContact O-N 3.39Å; P359-K363 VanDerWaalsContact O-N 3.11Å
360	L	80.4	Confident	76.6	Confident	114 Å²	114	109.3 Å²	109.3	60%	0.597	56%	0.555	S	S	*	*	H	α-helix	trans	-76.1	-45.8	179.7	-173.2	66.6	0	0	0	111.7	N358 T362 K363 R364	N358-L360 PolarHBondContact O-N 3.26Å; N358-L360 WeakPolarHBondContact OD1-CB 3.25Å; N358-L360 PolarHBondContact OD1-N 2.9Å; N358-L360 VanDerWaalsContact OD1-N 3.08Å; L360-T362 VanDerWaalsContact C-N 3.34Å; L360-T362 PolarHBondContact O-N 3.09Å; L360-K363 PolarHBondContact O-N 2.96Å; L360-R364 PolarHBondContact O-N 3.32Å
361	L	81.4	Confident	76.1	Confident	40 Å²	40	106.7 Å²	106.7	21%	0.209	55%	0.548	C	S	.	.	H	α-helix	trans	-60.1	-43.2	175	-94.3	162.7	0	0	0	110.9	I353 N358 R364 R365	I353-L361 HydrophobicContact CD1-CD2 4.34Å; I353-L361 HydrophobicContact CG1-CD2 3.97Å; N358-L361 PolarHBondContact O-N 3.11Å; N358-L361 WeakPolarHBondContact OD1-CB 3.26Å; N358-L361 PolarHBondContact OD1-N 2.88Å; L361-R364 PolarHBondContact O-N 3.25Å; L361-R365 WeakPolarHBondContact O-CB 3.36Å; L361-R365 VanDerWaalsContact O-CG 3.3Å; L361-R365 WeakPolarHBondContact O-CG 3.42Å; L361-R365 PolarHBondContact O-N 3.14Å
362	T	82.2	Confident	75.5	Confident	57 Å²	57	107.3 Å²	107.3	35%	0.35	56%	0.558	S	S	.	*	H	α-helix	trans	-66.3	-41.9	176.5	35.7	0	0	0	0	112.2	N358 P359 L360 R364 R365 K366	N358-T362 PolarHBondContact O-N 3.49Å; N358-T362 PolarHBondContact O-OG1 3.48Å; P359-T362 VanDerWaalsContact CA-OG1 3.31Å; P359-T362 WeakPolarHBondContact CA-OG1 3.22Å; P359-T362 PolarHBondContact O-OG1 3.07Å; P359-T362 VanDerWaalsContact O-OG1 3.11Å; L360-T362 VanDerWaalsContact C-N 3.34Å; L360-T362 PolarHBondContact O-N 3.09Å; T362-R364 VanDerWaalsContact C-N 3.34Å; T362-R364 PolarHBondContact O-N 3.41Å; T362-R365 PolarHBondContact O-N 3.05Å; T362-K366 WeakPolarHBondContact O-CB 3.34Å; T362-K366 WeakPolarHBondContact O-CG 3.39Å; T362-K366 PolarHBondContact O-N 3.22Å
363	K	80.2	Confident	74.4	Confident	158 Å²	158	108.2 Å²	108.2	69%	0.687	57%	0.567	S	S	*	*	H	α-helix	trans	-61.6	-41	175.2	-168.2	175	-176.3	177.1	0	111.9	P359 L360 K367	P359-K363 WeakPolarHBondContact O-CB 3.45Å; P359-K363 PolarHBondContact O-N 3.39Å; P359-K363 VanDerWaalsContact O-N 3.11Å; L360-K363 PolarHBondContact O-N 2.96Å; K363-K367 PolarHBondContact O-N 2.83Å; K363-K367 VanDerWaalsContact O-N 3.09Å
364	R	81	Confident	73.3	Confident	185 Å²	185	106.6 Å²	106.6	70%	0.698	57%	0.571	S	S	*	*	H	α-helix	trans	-71.4	-41.2	176.8	-72.3	-158.2	177.8	-170.1	1.6	113.2	L360 L361 T362 K366 K367 A368	L360-R364 PolarHBondContact O-N 3.32Å; L361-R364 PolarHBondContact O-N 3.25Å; T362-R364 VanDerWaalsContact C-N 3.34Å; T362-R364 PolarHBondContact O-N 3.41Å; R364-K366 VanDerWaalsContact C-N 3.35Å; R364-K366 PolarHBondContact O-N 2.9Å; R364-K367 PolarHBondContact O-N 3.33Å; R364-A368 WeakPolarHBondContact O-CB 3.33Å; R364-A368 PolarHBondContact O-N 2.73Å
365	R	82.6	Confident	72.1	Confident	93 Å²	93	104.1 Å²	104.1	35%	0.351	57%	0.572	S	S	.	*	H	α-helix	trans	-61.1	-41.7	173.2	-75	177.2	-179.5	-175	0.2	111.7	I353 E354 L361 T362 K367 A368 N369	I353-R365 PolarHBondContact O-NH2 3.04Å; E354-R365 PolarHBondContact O-NH2 2.65Å; L361-R365 WeakPolarHBondContact O-CB 3.36Å; L361-R365 VanDerWaalsContact O-CG 3.3Å; L361-R365 WeakPolarHBondContact O-CG 3.42Å; L361-R365 PolarHBondContact O-N 3.14Å; T362-R365 PolarHBondContact O-N 3.05Å; R365-K367 PolarHBondContact O-N 3.03Å; R365-A368 PolarHBondContact O-N 2.93Å; R365-N369 WeakPolarHBondContact O-CB 3.41Å; R365-N369 PolarHBondContact O-N 3.24Å
366	K	77.9	Confident	70.4	Confident	161 Å²	161	112 Å²	112	70%	0.7	61%	0.606	S	S	*	*	H	α-helix	trans	-63	-40	174.6	-77.1	-178	178	-174.6	0	112.6	T362 R364 N370	T362-K366 WeakPolarHBondContact O-CB 3.34Å; T362-K366 WeakPolarHBondContact O-CG 3.39Å; T362-K366 PolarHBondContact O-N 3.22Å; R364-K366 VanDerWaalsContact C-N 3.35Å; R364-K366 PolarHBondContact O-N 2.9Å; K366-N370 WeakPolarHBondContact O-CB 3.16Å; K366-N370 PolarHBondContact O-N 2.82Å
367	K	77.6	Confident	70	Confident	141 Å²	141	116.6 Å²	116.6	61%	0.613	63%	0.628	S	S	*	*	H	α-helix	trans	-69.9	-37.7	176.5	-165.7	177.5	-178.8	-179.2	0	112.3	K363 R364 R365 N370	K363-K367 PolarHBondContact O-N 2.83Å; K363-K367 VanDerWaalsContact O-N 3.09Å; R364-K367 PolarHBondContact O-N 3.33Å; R365-K367 PolarHBondContact O-N 3.03Å; K367-N370 CarbonylContact O-C 3.58Å; K367-N370 PolarHBondContact O-N 3.36Å
368	A	73.6	Confident	69.8	Low	74 Å²	74	116.8 Å²	116.8	61%	0.612	63%	0.625	S	S	*	*	H	α-helix	trans	-68.3	-36.5	176.1	0	0	0	0	0	112.5	R364 R365 N370	R364-A368 WeakPolarHBondContact O-CB 3.33Å; R364-A368 PolarHBondContact O-N 2.73Å; R365-A368 PolarHBondContact O-N 2.93Å; A368-N370 VanDerWaalsContact C-N 3.29Å; A368-N370 PolarHBondContact O-N 3.31Å
369	N	69.7	Low	69	Low	136 Å²	136	119.3 Å²	119.3	73%	0.727	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-3.2	177.7	-71.4	1.3	0	0	0	113.8	R365	R365-N369 WeakPolarHBondContact O-CB 3.41Å; R365-N369 PolarHBondContact O-N 3.24Å
370	N	62.7	Low	68.3	Low	104 Å²	104	119.8 Å²	119.8	56%	0.556	63%	0.633	S	S	*	*			trans	-137.1	76.3	178.9	-128.2	4.6	0	0	0	110.6	K366 K367 A368 N372	K366-N370 WeakPolarHBondContact O-CB 3.16Å; K366-N370 PolarHBondContact O-N 2.82Å; K367-N370 CarbonylContact O-C 3.58Å; K367-N370 PolarHBondContact O-N 3.36Å; A368-N370 VanDerWaalsContact C-N 3.29Å; A368-N370 PolarHBondContact O-N 3.31Å; N370-N372 PolarHBondContact O-N 2.97Å
371	P	56.5	Low	67.5	Low	105 Å²	105	120.1 Å²	120.1	68%	0.682	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	-18.5	-175.6	-17.4	27.9	0	0	0	114.3
372	N	57.3	Low	66.6	Low	150 Å²	150	125.5 Å²	125.5	80%	0.802	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	6.5	-171.9	-76.8	-3.9	0	0	0	115.5	N370	N370-N372 PolarHBondContact O-N 2.97Å
373	S	54.1	Low	65.5	Low	87 Å²	87	130.4 Å²	130.4	61%	0.608	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	14.5	179.4	85.9	0	0	0	0	114.5
374	A	51.3	Low	64.3	Low	83 Å²	83	128.2 Å²	128.2	69%	0.686	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.1	15.6	179.1	0	0	0	0	0	113.5
375	A	50.5	Low	62.9	Low	77 Å²	77	123.5 Å²	123.5	64%	0.636	69%	0.686	S	S	*	*			trans	-128.7	82	171.4	0	0	0	0	0	108.9
376	H	41.4	Very low	61.2	Low	271 Å²	271	126.3 Å²	126.3	100%	1.255	72%	0.716	S	S	*	*			trans	-161.9	0	147	-92.2	-49.7	0	0	0	109.5

Retrieved 376 of 376 residues in 249.5 ms (Link to these results)

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