A0A093HNW2_STRCA Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A093HNW2, Species STRCA (Struthio camelus australis), Gene n/a, Length 387 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	36.3	Very low	30.5	Very low	239 Å²	239	156.5 Å²	156.5	100%	1.177	87%	0.874	S	S	*	*				0	149.2	0	-88	169.7	162.9	0	0	107.5
2	E	33.8	Very low	30.4	Very low	188 Å²	188	153.2 Å²	153.2	88%	0.879	86%	0.864	S	S	*	*			trans	61	111.7	175.7	-56.6	-175.1	134.1	0	0	117
3	Q	29.2	Very low	30.3	Very low	184 Å²	184	156.2 Å²	156.2	86%	0.86	87%	0.867	S	S	*	*				-179.1	161.4	104.5	-96.6	-174.5	16.7	0	0	111.8
4	S	30.8	Very low	30	Very low	128 Å²	128	152.9 Å²	152.9	90%	0.895	86%	0.86	S	S	*	*			trans	63.7	146.2	178.2	71.9	0	0	0	0	115.5
5	G	30.5	Very low	29.9	Very low	80 Å²	80	155.9 Å²	155.9	83%	0.825	86%	0.863	S	S	*	*			cis	148.9	135.5	2.3	0	0	0	0	0	108.1
6	G	30.4	Very low	29.8	Very low	75 Å²	75	153.6 Å²	153.6	77%	0.773	86%	0.855	S	S	*	*			trans	179.6	105.8	-176.1	0	0	0	0	0	113.5
7	D	31.1	Very low	29.7	Very low	168 Å²	168	153.7 Å²	153.7	90%	0.898	85%	0.853	S	S	*	*			trans	-66	152.5	171.2	-55.6	-72.1	0	0	0	111.5
8	Q	31.3	Very low	29.6	Very low	202 Å²	202	151.6 Å²	151.6	94%	0.944	85%	0.851	S	S	*	*			trans	-130.9	119.3	166.6	-77.6	-169.1	-17.7	0	0	110.3
9	E	28.6	Very low	29.6	Very low	181 Å²	181	153.8 Å²	153.8	85%	0.846	85%	0.85	S	S	*	*			trans	-123	115	176.8	-170.4	174.3	-149	0	0	110.6
10	S	27.5	Very low	29.6	Very low	97 Å²	97	151.3 Å²	151.3	68%	0.678	84%	0.844	S	S	*	*			trans	59.8	126	158.3	74.7	0	0	0	0	120.6
11	Q	26.1	Very low	29.4	Very low	180 Å²	180	151.8 Å²	151.8	84%	0.841	85%	0.845	S	S	*	*				-177.9	165.2	97.4	-92.9	-159	23	0	0	111.2
12	P	29.8	Very low	29.2	Very low	116 Å²	116	147.9 Å²	147.9	75%	0.753	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-96.9	149	-141.1	36	-36.6	0	0	0	116.2
13	E	28.1	Very low	29	Very low	193 Å²	193	148.1 Å²	148.1	90%	0.902	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-90.2	145.4	164.6	-72.1	-164.9	137.1	0	0	112.5
14	S	26.1	Very low	29	Very low	109 Å²	109	144.5 Å²	144.5	76%	0.762	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-81.4	119.1	-175.3	54	0	0	0	0	113
15	H	28.8	Very low	29	Very low	198 Å²	198	146.5 Å²	146.5	92%	0.917	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-86.1	123.5	165.6	-91.8	-61.8	0	0	0	112
16	V	29.2	Very low	29.1	Very low	120 Å²	120	149 Å²	149	73%	0.727	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-83.7	119.9	-178.7	177.6	0	0	0	0	110.5	S18	V16-S18 PolarHBondContact O-N 3.33Å
17	D	27.1	Very low	29.2	Very low	155 Å²	155	148.8 Å²	148.8	83%	0.829	82%	0.82	S	S	*	*			trans	-61.9	104.9	175	-100.4	-34.6	0	0	0	111.8	K19	D17-K19 PolarHBondContact O-N 3Å; D17-K19 VanDerWaalsContact O-N 3.09Å
18	S	28.4	Very low	29.2	Very low	115 Å²	115	144.7 Å²	144.7	80%	0.804	82%	0.817	S	S	*	*			trans	-82.7	83.7	177.8	-65.2	0	0	0	0	110.8	V16 S20	V16-S18 PolarHBondContact O-N 3.33Å; S18-S20 PolarHBondContact O-N 3.09Å
19	K	29	Very low	29.6	Very low	194 Å²	194	138.6 Å²	138.6	84%	0.843	80%	0.802	S	S	*	*			trans	-62.1	103.5	172.6	-74.1	-178.7	178.5	175.1	0	111	D17 N21	D17-K19 PolarHBondContact O-N 3Å; D17-K19 VanDerWaalsContact O-N 3.09Å; K19-N21 PolarHBondContact O-N 3.04Å
20	S	29.7	Very low	30.3	Very low	103 Å²	103	134.2 Å²	134.2	72%	0.72	80%	0.796	S	S	*	*			trans	-69.7	117.3	171.8	55	0	0	0	0	110.8	S18 I22	S18-S20 PolarHBondContact O-N 3.09Å; S20-I22 PolarHBondContact O-N 3.47Å
21	N	26.7	Very low	31.6	Very low	162 Å²	162	136.5 Å²	136.5	87%	0.866	80%	0.796	S	S	*	*			trans	-64.2	99.1	176.5	-84.7	-41.2	0	0	0	111.8	K19 K23	K19-N21 PolarHBondContact O-N 3.04Å; N21-K23 PolarHBondContact O-N 3.25Å
22	I	31.3	Very low	33.5	Very low	157 Å²	157	133 Å²	133	81%	0.805	79%	0.787	S	S	*	*			trans	-74.2	104.8	162.7	-60	177.7	0	0	0	107.3	S20 S24	S20-I22 PolarHBondContact O-N 3.47Å; I22-S24 PolarHBondContact O-N 3.35Å
23	K	29.4	Very low	36	Very low	194 Å²	194	136.4 Å²	136.4	84%	0.843	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-63.8	117.1	168.8	-75.1	-178.8	175.8	179	0	108.8	N21 L25	N21-K23 PolarHBondContact O-N 3.25Å; K23-L25 PolarHBondContact O-N 3.09Å
24	S	28.7	Very low	38.9	Very low	108 Å²	108	128.8 Å²	128.8	76%	0.755	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-59.4	131.1	171.2	51.2	0	0	0	0	110.9	I22	I22-S24 PolarHBondContact O-N 3.35Å
25	L	31	Very low	42.1	Very low	169 Å²	169	131 Å²	131	89%	0.885	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-61.5	132.3	171	-76.1	156.5	0	0	0	110.3	K23 G27	K23-L25 PolarHBondContact O-N 3.09Å; L25-G27 PolarHBondContact O-N 2.78Å
26	P	33	Very low	45.3	Very low	132 Å²	132	123.7 Å²	123.7	86%	0.857	72%	0.721	S	S	*	*	S	Bend	trans	-80.3	108.9	173.5	31.6	-30.9	0	0	0	109.4
27	G	31.6	Very low	48.5	Very low	72 Å²	72	120.5 Å²	120.5	74%	0.742	70%	0.697	S	S	*	*			trans	175.4	17.3	-177.5	0	0	0	0	0	116.6	L25 A29	L25-G27 PolarHBondContact O-N 2.78Å; G27-A29 VanDerWaalsContact C-N 3.33Å; G27-A29 PolarHBondContact O-N 3.21Å
28	G	31.8	Very low	51.8	Low	82 Å²	82	121 Å²	121	85%	0.845	69%	0.692	S	S	*	*			trans	-76.5	84.9	170.5	0	0	0	0	0	110.2	A30	G28-A30 PolarHBondContact O-N 3.09Å
29	A	39.8	Very low	55.1	Low	74 Å²	74	119.4 Å²	119.4	61%	0.612	67%	0.671	S	S	*	*			trans	-56.4	125.5	165.4	0	0	0	0	0	107.9	G27 H31	G27-A29 VanDerWaalsContact C-N 3.33Å; G27-A29 PolarHBondContact O-N 3.21Å; A29-H31 PolarHBondContact O-N 3Å; A29-H31 VanDerWaalsContact O-N 3.09Å
30	A	43.6	Very low	58.3	Low	89 Å²	89	111.8 Å²	111.8	74%	0.736	64%	0.644	S	S	*	*			trans	-56.7	121.5	177	0	0	0	0	0	108.2	G28 V32	G28-A30 PolarHBondContact O-N 3.09Å; A30-V32 VanDerWaalsContact C-N 3.33Å; A30-V32 PolarHBondContact O-N 3.22Å
31	H	54	Low	61.6	Low	144 Å²	144	107 Å²	107	67%	0.667	61%	0.611	S	S	*	*			trans	-62.2	96.2	179.4	-83.3	-67.5	0	0	0	109.3	A29 K33	A29-H31 PolarHBondContact O-N 3Å; A29-H31 VanDerWaalsContact O-N 3.09Å; H31-K33 PolarHBondContact O-N 3.35Å; H31-K33 VanDerWaalsContact O-N 3.09Å
32	V	67.1	Low	64.9	Low	108 Å²	108	102.8 Å²	102.8	66%	0.655	59%	0.591	S	S	*	*			trans	-60.1	115.9	170.3	-177.2	0	0	0	0	106.1	A30 L34 W91	A30-V32 VanDerWaalsContact C-N 3.33Å; A30-V32 PolarHBondContact O-N 3.22Å; V32-L34 PolarHBondContact O-N 2.92Å; V32-W91 HydrophobicContact CB-CZ2 4.47Å; V32-W91 HydrophobicContact CG1-CZ2 4.08Å; V32-W91 PolarHBondContact O-NE1 2.82Å
33	K	81.9	Confident	68.1	Low	187 Å²	187	99.4 Å²	99.4	81%	0.813	57%	0.574	S	S	*	*			trans	-62	129.9	179.9	-176	-178.1	179	-175.5	0	108.6	H31 E35	H31-K33 PolarHBondContact O-N 3.35Å; H31-K33 VanDerWaalsContact O-N 3.09Å; K33-E35 PolarHBondContact O-N 3.35Å; K33-E35 VanDerWaalsContact O-N 3.08Å
34	L	88.8	Confident	71.3	Confident	32 Å²	32	92.5 Å²	92.5	17%	0.168	55%	0.547	C	S	.	.			trans	-56.7	115.2	173.9	174.1	62.3	0	0	0	109.8	V32 I36 V87 W91 V105	V32-L34 PolarHBondContact O-N 2.92Å; L34-I36 HydrophobicContact CD1-CG1 4.37Å; L34-I36 HydrophobicContact CD2-CD1 4.26Å; L34-I36 HydrophobicContact CD2-CG1 4.21Å; L34-I36 HydrophobicContact CG-CG1 4.01Å; L34-V87 HydrophobicContact CD1-CG1 4.4Å; L34-V87 HydrophobicContact CD2-CG1 3.74Å; L34-W91 HydrophobicContact CB-CD2 4.28Å; L34-W91 HydrophobicContact CB-CG 4.03Å; L34-W91 HydrophobicContact CD1-CB 4.35Å; L34-W91 HydrophobicContact CD1-CD2 3.62Å; L34-W91 HydrophobicContact CD1-CE3 3.75Å; L34-W91 HydrophobicContact CD1-CG 3.89Å; L34-W91 HydrophobicContact CD1-CZ3 4.31Å; L34-W91 HydrophobicContact CG-CG 4.41Å; L34-V105 HydrophobicContact CD1-CB 4.15Å; L34-V105 HydrophobicContact CD1-CG2 3.76Å
35	E	93.2	Very high	74.6	Confident	155 Å²	155	87.8 Å²	87.8	72%	0.724	51%	0.513	S	S	*	.			trans	-102.2	117.1	170.7	-175.1	169.6	-178.2	0	0	109.1	K33	K33-E35 PolarHBondContact O-N 3.35Å; K33-E35 VanDerWaalsContact O-N 3.08Å
36	I	95.7	Very high	77.8	Confident	46 Å²	46	86.9 Å²	86.9	24%	0.236	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	107.8	177.3	-57.1	179.7	0	0	0	108.3	L34 V105 E107	L34-I36 HydrophobicContact CD1-CG1 4.37Å; L34-I36 HydrophobicContact CD2-CD1 4.26Å; L34-I36 HydrophobicContact CD2-CG1 4.21Å; L34-I36 HydrophobicContact CG-CG1 4.01Å; I36-V105 WeakPolarHBondContact CA-O 3.06Å; I36-V105 HydrophobicContact CG1-CG1 4.26Å; I36-V105 HydrophobicContact CG2-CG1 4.28Å; I36-E107 HydrophobicContact CG2-CB 3.65Å
37	K	97.4	Very high	80.8	Confident	53 Å²	53	83.9 Å²	83.9	23%	0.23	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	144.9	177.8	-69.2	174.4	169.4	-176.3	0	110.8	D44 D104 V105 Y106 E107	K37-D44 IonicContact NZ-OD2 3.7Å; K37-D44 PolarHBondContact NZ-OD2 3.2Å; K37-D104 WeakPolarHBondContact CE-OD1 3.3Å; K37-D104 IonicContact NZ-OD1 3.64Å; K37-D104 PolarHBondContact NZ-OD1 3.02Å; K37-D104 IonicContact NZ-OD2 2.82Å; K37-D104 PolarHBondContact NZ-OD2 3.03Å; K37-V105 PolarHBondContact N-O 2.91Å; K37-Y106 HydrophobicContact CB-CD1 3.49Å; K37-Y106 VanDerWaalsContact CB-CD1 3.49Å; K37-Y106 HydrophobicContact CB-CE1 3.7Å; K37-Y106 HydrophobicContact CB-CG 4.06Å; K37-Y106 HydrophobicContact CD-CD1 4.06Å; K37-Y106 HydrophobicContact CD-CE1 3.38Å; K37-Y106 HydrophobicContact CD-CE2 4.22Å; K37-Y106 VanDerWaalsContact CD-CZ 3.42Å; K37-Y106 WeakPolarHBondContact CD-OH 3.46Å; K37-Y106 HydrophobicContact CG-CD1 4.43Å; K37-Y106 HydrophobicContact CG-CE1 4.19Å; K37-Y106 PolarHBondContact NZ-OH 3.35Å; K37-Y106 CarbonylContact O-C 3.53Å; K37-Y106 VanDerWaalsContact O-CA 3.3Å; K37-Y106 WeakPolarHBondContact O-CA 3.37Å; K37-E107 PolarHBondContact O-N 2.76Å
38	K	96.5	Very high	83.8	Confident	166 Å²	166	82 Å²	82	72%	0.722	45%	0.453	S	S	*	.			trans	-117.3	-16	-174.4	-67.4	-173.9	178.7	-179.5	0	114.9
39	H	97.1	Very high	86.5	Confident	81 Å²	81	87.9 Å²	87.9	38%	0.375	46%	0.456	S	S	.	.	S	Bend	trans	-70.6	172.4	167.7	61.1	-74.6	0	0	0	110.2	D43 D44 Y106 N108	H39-D43 IonicContact CD2-OD2 3.35Å; H39-D44 IonicContact CD2-OD1 2.65Å; H39-D44 IonicContact CD2-OD2 2.66Å; H39-D44 IonicContact CE1-OD2 3.26Å; H39-D44 IonicContact NE2-OD1 3.71Å; H39-D44 PolarHBondContact NE2-OD1 2.83Å; H39-D44 IonicContact NE2-OD2 3.47Å; H39-D44 PolarHBondContact NE2-OD2 2.95Å; H39-Y106 AromaticContact NE2-CE1 3.81Å; H39-N108 PolarHBondContact O-ND2 2.82Å
40	A	96.8	Very high	89.1	Confident	33 Å²	33	90.8 Å²	90.8	27%	0.273	45%	0.451	S	S	.	.			trans	-74.2	136.3	-172.8	0	0	0	0	0	110.1	T42 D43 N108	A40-T42 WeakPolarHBondContact CB-OG1 3.47Å; A40-T42 PolarHBondContact O-N 3.08Å; A40-D43 WeakPolarHBondContact CB-OD2 3.46Å; A40-D43 PolarHBondContact N-OD2 3.1Å; A40-D43 VanDerWaalsContact O-CB 3.25Å; A40-D43 WeakPolarHBondContact O-CB 3.22Å; A40-D43 VanDerWaalsContact O-CG 3.31Å; A40-D43 PolarHBondContact O-N 2.87Å; A40-N108 WeakPolarHBondContact CA-OD1 3.4Å
41	V	97.3	Very high	91.4	Very high	3 Å²	3	89.4 Å²	89.4	2%	0.018	43%	0.433	C	S	.	.	H	α-helix	trans	-56.6	-25.9	173.1	71	0	0	0	0	111.6	D43 D44 Y45 L47 L74 Y106 N108 L117 V119	V41-D43 PolarHBondContact O-N 2.87Å; V41-D44 PolarHBondContact O-N 2.84Å; V41-Y45 HydrophobicContact CG2-CD2 4.23Å; V41-Y45 WeakPolarHBondContact O-CB 3.42Å; V41-Y45 PolarHBondContact O-N 3.21Å; V41-L47 HydrophobicContact CG1-CD1 4.11Å; V41-L47 HydrophobicContact CG1-CD2 4.37Å; V41-L74 HydrophobicContact CG2-CD1 4.19Å; V41-Y106 HydrophobicContact CB-CD1 4.09Å; V41-Y106 HydrophobicContact CB-CD2 4Å; V41-Y106 HydrophobicContact CB-CE1 4.46Å; V41-Y106 HydrophobicContact CB-CE2 4.39Å; V41-Y106 HydrophobicContact CB-CG 3.89Å; V41-Y106 HydrophobicContact CG2-CD1 4.45Å; V41-Y106 HydrophobicContact CG2-CD2 3.64Å; V41-Y106 HydrophobicContact CG2-CE2 3.73Å; V41-Y106 HydrophobicContact CG2-CG 4.08Å; V41-N108 PolarHBondContact N-OD1 2.83Å; V41-L117 HydrophobicContact CB-CD1 4.03Å; V41-L117 HydrophobicContact CG1-CD1 3.49Å; V41-L117 VanDerWaalsContact CG1-CD1 3.49Å; V41-V119 HydrophobicContact CG2-CG2 4.35Å
42	T	97.1	Very high	93	Very high	74 Å²	74	85.6 Å²	85.6	45%	0.454	42%	0.417	S	S	.	.	H	α-helix	trans	-70.5	-8.2	176	50.7	0	0	0	0	114.2	A40 Y45 L47 K66	A40-T42 WeakPolarHBondContact CB-OG1 3.47Å; A40-T42 PolarHBondContact O-N 3.08Å; T42-Y45 WeakPolarHBondContact CA-O 3.5Å; T42-L47 HydrophobicContact CG2-CD1 3.98Å; T42-L47 HydrophobicContact CG2-CG 4.2Å; T42-K66 WeakPolarHBondContact O-CE 3.31Å; T42-K66 PolarHBondContact O-NZ 2.82Å
43	D	97.5	Very high	93.7	Very high	85 Å²	85	81.8 Å²	81.8	46%	0.455	40%	0.399	S	S	.	.	H	α-helix	trans	-80.3	-42.7	174.8	-56.7	-27	0	0	0	109.7	H39 A40 V41 K66	H39-D43 IonicContact CD2-OD2 3.35Å; A40-D43 WeakPolarHBondContact CB-OD2 3.46Å; A40-D43 PolarHBondContact N-OD2 3.1Å; A40-D43 VanDerWaalsContact O-CB 3.25Å; A40-D43 WeakPolarHBondContact O-CB 3.22Å; A40-D43 VanDerWaalsContact O-CG 3.31Å; A40-D43 PolarHBondContact O-N 2.87Å; V41-D43 PolarHBondContact O-N 2.87Å; D43-K66 WeakPolarHBondContact O-CD 3.49Å; D43-K66 VanDerWaalsContact O-CE 3.24Å; D43-K66 WeakPolarHBondContact O-CE 3.35Å; D43-K66 PolarHBondContact O-NZ 3.09Å
44	D	98	Very high	93.3	Very high	49 Å²	49	79.8 Å²	79.8	26%	0.262	40%	0.397	S	S	.	.	H	α-helix	trans	-93.3	-30.8	-177.9	-62.3	-6.4	0	0	0	112.6	K37 H39 V41 K66 Y106	K37-D44 IonicContact NZ-OD2 3.7Å; K37-D44 PolarHBondContact NZ-OD2 3.2Å; H39-D44 IonicContact CD2-OD1 2.65Å; H39-D44 IonicContact CD2-OD2 2.66Å; H39-D44 IonicContact CE1-OD2 3.26Å; H39-D44 IonicContact NE2-OD1 3.71Å; H39-D44 PolarHBondContact NE2-OD1 2.83Å; H39-D44 IonicContact NE2-OD2 3.47Å; H39-D44 PolarHBondContact NE2-OD2 2.95Å; V41-D44 PolarHBondContact O-N 2.84Å; D44-K66 WeakPolarHBondContact O-CB 3.39Å; D44-K66 WeakPolarHBondContact O-CG 3.45Å; D44-K66 PolarHBondContact O-N 2.91Å; D44-Y106 PolarHBondContact OD2-OH 3.32Å
45	Y	98.3	Very high	92.1	Very high	10 Å²	10	79.3 Å²	79.3	4%	0.039	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	143.4	-174.2	-69.4	-96.9	0	0	0	113.5	V41 T42 F64 N65 C72 D104 Y106 V119	V41-Y45 HydrophobicContact CG2-CD2 4.23Å; V41-Y45 WeakPolarHBondContact O-CB 3.42Å; V41-Y45 PolarHBondContact O-N 3.21Å; T42-Y45 WeakPolarHBondContact CA-O 3.5Å; Y45-F64 CarbonylContact C-O 3.57Å; Y45-F64 WeakPolarHBondContact CA-O 3.27Å; Y45-N65 HydrophobicContact CD1-CB 4.08Å; Y45-N65 HydrophobicContact CE1-CB 3.61Å; Y45-N65 PolarHBondContact OH-ND2 2.86Å; Y45-C72 HydrophobicContact CE1-CB 4.34Å; Y45-D104 WeakPolarHBondContact CE2-OD2 3.41Å; Y45-D104 PolarHBondContact OH-OD2 2.88Å; Y45-Y106 HydrophobicContact CD2-CE2 4.4Å; Y45-Y106 HydrophobicContact CE2-CE2 4.33Å; Y45-Y106 WeakPolarHBondContact CE2-OH 3.43Å; Y45-V119 HydrophobicContact CD1-CG1 4.23Å; Y45-V119 HydrophobicContact CD2-CG2 4.26Å; Y45-V119 HydrophobicContact CE1-CG1 3.61Å; Y45-V119 HydrophobicContact CE2-CG1 4.44Å; Y45-V119 HydrophobicContact CE2-CG2 4.11Å
46	K	97.8	Very high	90.7	Very high	149 Å²	149	76.1 Å²	76.1	65%	0.648	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	114.3	168.2	-177.4	-178.9	179	-177.6	0	109.4	C63 F64 K66	K46-C63 CarbonylContact O-C 3.6Å; K46-C63 VanDerWaalsContact O-CA 3.31Å; K46-C63 WeakPolarHBondContact O-CA 3.39Å; K46-F64 PolarHBondContact N-O 2.76Å; K46-F64 PolarHBondContact O-N 2.8Å; K46-K66 HydrophobicContact CB-CG 4.49Å
47	L	95.6	Very high	89.3	Confident	70 Å²	70	77.3 Å²	77.3	37%	0.366	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	134.4	-178.9	-52	-169.9	0	0	0	111.7	V41 T42 C63 L74	V41-L47 HydrophobicContact CG1-CD1 4.11Å; V41-L47 HydrophobicContact CG1-CD2 4.37Å; T42-L47 HydrophobicContact CG2-CD1 3.98Å; T42-L47 HydrophobicContact CG2-CG 4.2Å; L47-C63 HydrophobicContact CD2-CB 3.81Å; L47-L74 HydrophobicContact CD1-CD2 4.27Å; L47-L74 HydrophobicContact CD2-CD2 3.83Å
48	S	94.3	Very high	87.9	Confident	32 Å²	32	75.7 Å²	75.7	22%	0.224	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	158.3	172.6	-169.3	0	0	0	0	110.8	R50 E62	S48-R50 VanDerWaalsContact C-N 3.31Å; S48-R50 WeakPolarHBondContact OG-CB 3.24Å; S48-R50 PolarHBondContact OG-N 3.44Å; S48-E62 WeakPolarHBondContact CA-O 3.43Å; S48-E62 WeakPolarHBondContact CB-O 3.45Å; S48-E62 WeakPolarHBondContact CB-OE2 3.48Å; S48-E62 PolarHBondContact N-O 2.87Å; S48-E62 PolarHBondContact OG-OE2 3.34Å
49	K	89.8	Confident	87.3	Confident	205 Å²	205	72.8 Å²	72.8	89%	0.891	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.6	-12.4	166.3	-68.3	-176.8	-180	178.8	0	112.3	V51	K49-V51 PolarHBondContact O-N 3.45Å
50	R	93.3	Very high	87.1	Confident	136 Å²	136	70 Å²	70	51%	0.513	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	130.8	-179.7	-172.6	-168.6	-176.6	173.1	4.2	110.2	S48 L61 E62	S48-R50 VanDerWaalsContact C-N 3.31Å; S48-R50 WeakPolarHBondContact OG-CB 3.24Å; S48-R50 PolarHBondContact OG-N 3.44Å; R50-L61 WeakPolarHBondContact O-CA 3.12Å; R50-E62 HydrophobicContact CB-CB 4.1Å; R50-E62 WeakPolarHBondContact CB-OE2 3.35Å; R50-E62 VanDerWaalsContact CD-CD 3.45Å; R50-E62 WeakPolarHBondContact CD-OE1 3.25Å; R50-E62 WeakPolarHBondContact CD-OE2 3.44Å; R50-E62 IonicContact CZ-OE1 3.79Å; R50-E62 IonicContact NE-OE1 3.15Å; R50-E62 IonicContact NH1-OE1 2.66Å; R50-E62 PolarHBondContact NH1-OE1 2.83Å; R50-E62 PolarHBondContact O-N 3.29Å
51	V	92.4	Very high	87	Confident	60 Å²	60	70.6 Å²	70.6	36%	0.364	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	129.7	173.4	-168.5	0	0	0	0	107.8	K49 G53 K59 L61	K49-V51 PolarHBondContact O-N 3.45Å; V51-G53 WeakPolarHBondContact CG1-O 3.33Å; V51-K59 HydrophobicContact CG1-CD 4.32Å; V51-K59 HydrophobicContact CG1-CG 3.9Å; V51-K59 HydrophobicContact CG2-CD 4.32Å; V51-K59 VanDerWaalsContact CG2-NZ 3.29Å; V51-L61 HydrophobicContact CG2-CD2 4.4Å
52	L	88	Confident	87	Confident	64 Å²	64	71.3 Å²	71.3	34%	0.335	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-30.3	172.4	-62.8	-179.9	0	0	0	111.5	V60 E62 A73	L52-V60 HydrophobicContact CB-CG1 4.18Å; L52-V60 PolarHBondContact N-O 2.86Å; L52-E62 HydrophobicContact CD1-CB 4.04Å; L52-E62 HydrophobicContact CD2-CB 4.04Å; L52-E62 HydrophobicContact CG-CB 3.95Å; L52-A73 HydrophobicContact CD1-CB 3.89Å
53	G	80.6	Confident	87	Confident	27 Å²	27	67.8 Å²	67.8	28%	0.278	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.7	171.9	177.1	0	0	0	0	0	113.8	V51 V60	V51-G53 WeakPolarHBondContact CG1-O 3.33Å; G53-V60 PolarHBondContact N-O 3.4Å; G53-V60 PolarHBondContact O-N 3.34Å
54	L	74.4	Confident	87	Confident	146 Å²	146	67 Å²	67	76%	0.764	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.9	93.9	173.3	-66.8	172.3	0	0	0	108	K59	L54-K59 HydrophobicContact CD2-CB 4.46Å; L54-K59 HydrophobicContact CD2-CG 4.01Å
55	G	64.3	Low	87	Confident	21 Å²	21	65.8 Å²	65.8	22%	0.216	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	161.6	173.5	0	0	0	0	0	111.2	N57 G58	G55-N57 VanDerWaalsContact C-N 3.26Å; G55-N57 PolarHBondContact O-N 2.95Å; G55-G58 CarbonylContact C-O 3.57Å; G55-G58 WeakPolarHBondContact CA-O 3.36Å; G55-G58 PolarHBondContact N-O 2.67Å; G55-G58 PolarHBondContact O-N 2.72Å; G55-G58 VanDerWaalsContact O-N 3.13Å; G55-G58 VanDerWaalsContact O-O 3.12Å
56	I	62.6	Low	87	Confident	89 Å²	89	71.1 Å²	71.1	46%	0.456	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-32.4	-171.6	-73.6	168.8	0	0	0	112.5	F192	I56-F192 HydrophobicContact CB-CE2 4.15Å; I56-F192 HydrophobicContact CD1-CE2 3.55Å; I56-F192 HydrophobicContact CD1-CZ 4.2Å; I56-F192 HydrophobicContact CG1-CE2 4.41Å; I56-F192 HydrophobicContact CG2-CE2 3.78Å; I56-F192 HydrophobicContact CG2-CZ 3.92Å
57	N	66.3	Low	87	Confident	70 Å²	70	72.6 Å²	72.6	37%	0.374	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-1.4	177.9	-64.4	-25.4	0	0	0	114.2	G55 L77 E86 G191	G55-N57 VanDerWaalsContact C-N 3.26Å; G55-N57 PolarHBondContact O-N 2.95Å; N57-L77 HydrophobicContact CB-CD2 3.53Å; N57-E86 PolarHBondContact ND2-OE2 3.27Å; N57-G191 WeakPolarHBondContact ND2-CA 3.25Å
58	G	69.2	Low	87	Confident	19 Å²	19	73.4 Å²	73.4	20%	0.196	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.5	163	-177.6	0	0	0	0	0	116.7	G55	G55-G58 CarbonylContact C-O 3.57Å; G55-G58 WeakPolarHBondContact CA-O 3.36Å; G55-G58 PolarHBondContact N-O 2.67Å; G55-G58 PolarHBondContact O-N 2.72Å; G55-G58 VanDerWaalsContact O-N 3.13Å; G55-G58 VanDerWaalsContact O-O 3.12Å
59	K	83.6	Confident	87.1	Confident	106 Å²	106	74.3 Å²	74.3	46%	0.461	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	135.9	176	-165.4	175	-147.1	-164.6	0	110.2	V51 L54 L61	V51-K59 HydrophobicContact CG1-CD 4.32Å; V51-K59 HydrophobicContact CG1-CG 3.9Å; V51-K59 HydrophobicContact CG2-CD 4.32Å; V51-K59 VanDerWaalsContact CG2-NZ 3.29Å; L54-K59 HydrophobicContact CD2-CB 4.46Å; L54-K59 HydrophobicContact CD2-CG 4.01Å; K59-L61 HydrophobicContact CD-CD2 4.07Å; K59-L61 HydrophobicContact CG-CD2 4.23Å
60	V	91.7	Very high	87.5	Confident	23 Å²	23	69.4 Å²	69.4	14%	0.139	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	124.4	171.9	-172	0	0	0	0	108.9	L52 G53 A73 L74 K75 M120	L52-V60 HydrophobicContact CB-CG1 4.18Å; L52-V60 PolarHBondContact N-O 2.86Å; G53-V60 PolarHBondContact N-O 3.4Å; G53-V60 PolarHBondContact O-N 3.34Å; V60-A73 HydrophobicContact CG1-CB 3.96Å; V60-L74 CarbonylContact C-O 3.52Å; V60-L74 WeakPolarHBondContact CA-O 3.37Å; V60-K75 HydrophobicContact CG2-CB 4.39Å; V60-K75 HydrophobicContact CG2-CG 4.23Å; V60-M120 HydrophobicContact CG1-CE 4.48Å
61	L	94.8	Very high	87.7	Confident	45 Å²	45	64.9 Å²	64.9	24%	0.236	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	155.1	179.8	-63.4	177.8	0	0	0	111	R50 V51 K59 L74	R50-L61 WeakPolarHBondContact O-CA 3.12Å; V51-L61 HydrophobicContact CG2-CD2 4.4Å; K59-L61 HydrophobicContact CD-CD2 4.07Å; K59-L61 HydrophobicContact CG-CD2 4.23Å; L61-L74 PolarHBondContact N-O 2.84Å; L61-L74 PolarHBondContact O-N 3.5Å
62	E	96.9	Very high	87.9	Confident	17 Å²	17	62 Å²	62	8%	0.079	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	141.1	167.4	177.3	-173.2	-105.2	0	0	109.9	S48 R50 L52 F64 K71	S48-E62 WeakPolarHBondContact CA-O 3.43Å; S48-E62 WeakPolarHBondContact CB-O 3.45Å; S48-E62 WeakPolarHBondContact CB-OE2 3.48Å; S48-E62 PolarHBondContact N-O 2.87Å; S48-E62 PolarHBondContact OG-OE2 3.34Å; R50-E62 HydrophobicContact CB-CB 4.1Å; R50-E62 WeakPolarHBondContact CB-OE2 3.35Å; R50-E62 VanDerWaalsContact CD-CD 3.45Å; R50-E62 WeakPolarHBondContact CD-OE1 3.25Å; R50-E62 WeakPolarHBondContact CD-OE2 3.44Å; R50-E62 IonicContact CZ-OE1 3.79Å; R50-E62 IonicContact NE-OE1 3.15Å; R50-E62 IonicContact NH1-OE1 2.66Å; R50-E62 PolarHBondContact NH1-OE1 2.83Å; R50-E62 PolarHBondContact O-N 3.29Å; L52-E62 HydrophobicContact CD1-CB 4.04Å; L52-E62 HydrophobicContact CD2-CB 4.04Å; L52-E62 HydrophobicContact CG-CB 3.95Å; E62-F64 HydrophobicContact CG-CE2 3.78Å; E62-F64 HydrophobicContact CG-CZ 3.94Å; E62-K71 HydrophobicContact CG-CG 4.49Å; E62-K71 WeakPolarHBondContact OE1-CE 3.35Å; E62-K71 IonicContact OE1-NZ 2.7Å; E62-K71 PolarHBondContact OE1-NZ 2.98Å
63	C	97.7	Very high	88.3	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	166.6	171.2	65.1	0	0	0	0	110.6	K46 L47 C72 L74	K46-C63 CarbonylContact O-C 3.6Å; K46-C63 VanDerWaalsContact O-CA 3.31Å; K46-C63 WeakPolarHBondContact O-CA 3.39Å; L47-C63 HydrophobicContact CD2-CB 3.81Å; C63-C72 PolarHBondContact N-O 2.96Å; C63-C72 PolarHBondContact O-N 2.71Å; C63-C72 VanDerWaalsContact O-O 3.08Å; C63-C72 PolarHBondContact SG-O 3.04Å; C63-L74 HydrophobicContact CB-CB 4.44Å
64	F	98.1	Very high	89.1	Confident	68 Å²	68	58.4 Å²	58.4	30%	0.298	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	130.1	-179.8	-59.9	-94	0	0	0	109.5	Y45 K46 E62 K66 Q70 K71	Y45-F64 CarbonylContact C-O 3.57Å; Y45-F64 WeakPolarHBondContact CA-O 3.27Å; K46-F64 PolarHBondContact N-O 2.76Å; K46-F64 PolarHBondContact O-N 2.8Å; E62-F64 HydrophobicContact CG-CE2 3.78Å; E62-F64 HydrophobicContact CG-CZ 3.94Å; F64-K66 PolarHBondContact O-N 3.03Å; F64-Q70 CarbonylContact C-O 3.58Å; F64-Q70 VanDerWaalsContact CA-O 3.27Å; F64-Q70 WeakPolarHBondContact CA-O 3.33Å; F64-K71 HydrophobicContact CD1-CB 3.98Å; F64-K71 HydrophobicContact CD1-CG 4.28Å; F64-K71 HydrophobicContact CE1-CB 3.78Å; F64-K71 HydrophobicContact CE1-CD 4.19Å; F64-K71 HydrophobicContact CE1-CG 3.78Å; F64-K71 HydrophobicContact CZ-CD 4.46Å; F64-K71 HydrophobicContact CZ-CG 4.22Å
65	N	98.1	Very high	90.1	Very high	25 Å²	25	51.8 Å²	51.8	13%	0.134	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	132	169.8	180	-65.5	0	0	0	108.6	Y45 E67 T68 G69 Q70	Y45-N65 HydrophobicContact CD1-CB 4.08Å; Y45-N65 HydrophobicContact CE1-CB 3.61Å; Y45-N65 PolarHBondContact OH-ND2 2.86Å; N65-E67 WeakPolarHBondContact OD1-CA 3.44Å; N65-E67 WeakPolarHBondContact OD1-CB 3.35Å; N65-E67 PolarHBondContact OD1-N 2.99Å; N65-T68 WeakPolarHBondContact CB-OG1 3.34Å; N65-T68 PolarHBondContact OD1-N 3.01Å; N65-T68 PolarHBondContact OD1-OG1 3.11Å; N65-G69 WeakPolarHBondContact O-CA 3.27Å; N65-G69 PolarHBondContact O-N 3.23Å; N65-Q70 HydrophobicContact CB-CB 4.45Å; N65-Q70 PolarHBondContact N-O 2.92Å
66	K	97.9	Very high	91.4	Very high	121 Å²	121	52.4 Å²	52.4	53%	0.526	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-28.3	-175	-70.4	-174.1	-166.6	168.7	0	114.3	T42 D43 D44 K46 F64	T42-K66 WeakPolarHBondContact O-CE 3.31Å; T42-K66 PolarHBondContact O-NZ 2.82Å; D43-K66 WeakPolarHBondContact O-CD 3.49Å; D43-K66 VanDerWaalsContact O-CE 3.24Å; D43-K66 WeakPolarHBondContact O-CE 3.35Å; D43-K66 PolarHBondContact O-NZ 3.09Å; D44-K66 WeakPolarHBondContact O-CB 3.39Å; D44-K66 WeakPolarHBondContact O-CG 3.45Å; D44-K66 PolarHBondContact O-N 2.91Å; K46-K66 HydrophobicContact CB-CG 4.49Å; F64-K66 PolarHBondContact O-N 3.03Å
67	E	97.1	Very high	92.9	Very high	180 Å²	180	48.3 Å²	48.3	84%	0.841	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-50	-177.9	-177.8	178.2	-170.4	0	0	110.6	N65	N65-E67 WeakPolarHBondContact OD1-CA 3.44Å; N65-E67 WeakPolarHBondContact OD1-CB 3.35Å; N65-E67 PolarHBondContact OD1-N 2.99Å
68	T	97.1	Very high	94.1	Very high	88 Å²	88	49.6 Å²	49.6	54%	0.54	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-15.8	-175.6	66.6	0	0	0	0	113.7	N65 Q70	N65-T68 WeakPolarHBondContact CB-OG1 3.34Å; N65-T68 PolarHBondContact OD1-N 3.01Å; N65-T68 PolarHBondContact OD1-OG1 3.11Å; T68-Q70 PolarHBondContact O-N 2.77Å; T68-Q70 WeakPolarHBondContact OG1-CB 3.19Å; T68-Q70 PolarHBondContact OG1-N 2.98Å
69	G	96.4	Very high	95.3	Very high	51 Å²	51	50 Å²	50	53%	0.526	25%	0.252	S	S	.	.			trans	70	0.3	-170	0	0	0	0	0	114.3	N65 K71	N65-G69 WeakPolarHBondContact O-CA 3.27Å; N65-G69 PolarHBondContact O-N 3.23Å; G69-K71 PolarHBondContact O-N 2.86Å
70	Q	96.6	Very high	95.7	Very high	102 Å²	102	48.2 Å²	48.2	48%	0.477	25%	0.247	S	C	.	.			trans	-61.2	134.2	-175.6	-175.6	-179.6	10	0	0	111.5	F64 N65 T68	F64-Q70 CarbonylContact C-O 3.58Å; F64-Q70 VanDerWaalsContact CA-O 3.27Å; F64-Q70 WeakPolarHBondContact CA-O 3.33Å; N65-Q70 HydrophobicContact CB-CB 4.45Å; N65-Q70 PolarHBondContact N-O 2.92Å; T68-Q70 PolarHBondContact O-N 2.77Å; T68-Q70 WeakPolarHBondContact OG1-CB 3.19Å; T68-Q70 PolarHBondContact OG1-N 2.98Å
71	K	97.3	Very high	95.7	Very high	40 Å²	40	52 Å²	52	17%	0.174	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	130.5	174.4	-174.7	179.9	176.5	179.6	0	111.1	E62 F64 G69 C122 E124	E62-K71 HydrophobicContact CG-CG 4.49Å; E62-K71 WeakPolarHBondContact OE1-CE 3.35Å; E62-K71 IonicContact OE1-NZ 2.7Å; E62-K71 PolarHBondContact OE1-NZ 2.98Å; F64-K71 HydrophobicContact CD1-CB 3.98Å; F64-K71 HydrophobicContact CD1-CG 4.28Å; F64-K71 HydrophobicContact CE1-CB 3.78Å; F64-K71 HydrophobicContact CE1-CD 4.19Å; F64-K71 HydrophobicContact CE1-CG 3.78Å; F64-K71 HydrophobicContact CZ-CD 4.46Å; F64-K71 HydrophobicContact CZ-CG 4.22Å; G69-K71 PolarHBondContact O-N 2.86Å; K71-C122 VanDerWaalsContact CE-SG 3.59Å; K71-C122 HydrophobicContact CG-CB 4.15Å; K71-C122 WeakPolarHBondContact O-CB 3.45Å; K71-E124 WeakPolarHBondContact CE-OE1 3.34Å; K71-E124 IonicContact NZ-OE1 3.52Å; K71-E124 PolarHBondContact NZ-OE1 3.05Å
72	C	97.6	Very high	95.4	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	163.5	-177.4	-59.2	0	0	0	0	111.1	Y45 C63 L103 V119 M120	Y45-C72 HydrophobicContact CE1-CB 4.34Å; C63-C72 PolarHBondContact N-O 2.96Å; C63-C72 PolarHBondContact O-N 2.71Å; C63-C72 VanDerWaalsContact O-O 3.08Å; C63-C72 PolarHBondContact SG-O 3.04Å; C72-L103 HydrophobicContact CB-CD1 4.36Å; C72-L103 VanDerWaalsContact SG-CD1 3.55Å; C72-V119 HydrophobicContact CB-CG1 3.69Å; C72-M120 WeakPolarHBondContact CA-O 3.31Å; C72-M120 WeakPolarHBondContact CB-O 3.07Å
73	A	96.9	Very high	95.1	Very high	8 Å²	8	54.7 Å²	54.7	7%	0.066	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	138.6	170.8	0	0	0	0	0	110.5	L52 V60 V119 M120	L52-A73 HydrophobicContact CD1-CB 3.89Å; V60-A73 HydrophobicContact CG1-CB 3.96Å; A73-V119 CarbonylContact O-C 3.59Å; A73-V119 WeakPolarHBondContact O-CA 3.46Å; A73-M120 HydrophobicContact CB-CE 4.22Å; A73-M120 PolarHBondContact N-O 2.94Å; A73-M120 PolarHBondContact O-N 2.9Å
74	L	96.5	Very high	94.9	Very high	8 Å²	8	59 Å²	59	4%	0.042	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	114.7	177.6	-170.7	79.2	0	0	0	110.7	V41 L47 V60 L61 C63 L117 I118 V119	V41-L74 HydrophobicContact CG2-CD1 4.19Å; L47-L74 HydrophobicContact CD1-CD2 4.27Å; L47-L74 HydrophobicContact CD2-CD2 3.83Å; V60-L74 CarbonylContact C-O 3.52Å; V60-L74 WeakPolarHBondContact CA-O 3.37Å; L61-L74 PolarHBondContact N-O 2.84Å; L61-L74 PolarHBondContact O-N 3.5Å; C63-L74 HydrophobicContact CB-CB 4.44Å; L74-L117 HydrophobicContact CD1-CB 4.17Å; L74-I118 CarbonylContact C-O 3.54Å; L74-I118 WeakPolarHBondContact CA-O 3.16Å; L74-V119 HydrophobicContact CD1-CG2 3.69Å
75	K	94.7	Very high	94.6	Very high	7 Å²	7	60.5 Å²	60.5	3%	0.03	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	129.7	170.5	-167.2	179.2	-164.2	-176.2	0	109.9	V60 L77 E86 I118 M120 D189	V60-K75 HydrophobicContact CG2-CB 4.39Å; V60-K75 HydrophobicContact CG2-CG 4.23Å; K75-L77 HydrophobicContact CD-CD2 4.25Å; K75-L77 HydrophobicContact CG-CD2 4.24Å; K75-E86 WeakPolarHBondContact CE-OE1 3.44Å; K75-E86 IonicContact NZ-OE1 3.18Å; K75-E86 PolarHBondContact NZ-OE1 3.1Å; K75-I118 HydrophobicContact CB-CB 4.32Å; K75-I118 HydrophobicContact CB-CD1 4.48Å; K75-I118 HydrophobicContact CD-CD1 4.43Å; K75-I118 PolarHBondContact N-O 3.42Å; K75-I118 PolarHBondContact O-N 2.85Å; K75-M120 HydrophobicContact CB-CE 3.77Å; K75-D189 VanDerWaalsContact NZ-CG 3.33Å; K75-D189 IonicContact NZ-OD1 2.84Å; K75-D189 PolarHBondContact NZ-OD1 2.89Å; K75-D189 IonicContact NZ-OD2 3.93Å
76	L	93.1	Very high	94.4	Very high	34 Å²	34	59.5 Å²	59.5	18%	0.178	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	124.1	174.1	-176.7	155.3	0	0	0	110.1	Y78 H110 C115 L117	L76-Y78 HydrophobicContact CD2-CE2 4.39Å; L76-H110 HydrophobicContact CD1-CB 4.11Å; L76-C115 HydrophobicContact CD2-CB 4.39Å; L76-C115 HydrophobicContact CG-CB 4.3Å; L76-L117 HydrophobicContact CB-CD2 3.86Å; L76-L117 HydrophobicContact CD1-CD2 3.68Å; L76-L117 HydrophobicContact CG-CD2 3.6Å
77	L	92.4	Very high	94.2	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	138.8	170.5	-54.2	-179.2	0	0	0	109.7	N57 K75 A83 E86 V87 C115 L116 I118	N57-L77 HydrophobicContact CB-CD2 3.53Å; K75-L77 HydrophobicContact CD-CD2 4.25Å; K75-L77 HydrophobicContact CG-CD2 4.24Å; L77-A83 HydrophobicContact CB-CB 3.84Å; L77-A83 HydrophobicContact CD1-CB 3.9Å; L77-E86 HydrophobicContact CD1-CB 4.43Å; L77-E86 VanDerWaalsContact CD1-CD 3.46Å; L77-E86 HydrophobicContact CD1-CG 4.13Å; L77-E86 WeakPolarHBondContact CD1-OE2 3.46Å; L77-V87 HydrophobicContact CD1-CG2 4.3Å; L77-C115 CarbonylContact O-C 3.42Å; L77-C115 WeakPolarHBondContact O-CA 3.47Å; L77-C115 VanDerWaalsContact O-CB 3.24Å; L77-C115 WeakPolarHBondContact O-CB 3.37Å; L77-L116 HydrophobicContact CB-CB 4.49Å; L77-L116 PolarHBondContact N-O 3.27Å; L77-L116 PolarHBondContact O-N 2.98Å; L77-I118 HydrophobicContact CD1-CD1 3.68Å; L77-I118 HydrophobicContact CG-CD1 4.13Å
78	Y	93.2	Very high	94.1	Very high	97 Å²	97	48.4 Å²	48.4	38%	0.38	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	133.2	169.2	-72.3	-70.7	0	0	0	110.5	L76 N80 A83 K113	L76-Y78 HydrophobicContact CD2-CE2 4.39Å; Y78-N80 PolarHBondContact O-N 3.36Å; Y78-N80 VanDerWaalsContact O-N 3.11Å; Y78-N80 PolarHBondContact O-ND2 3.13Å; Y78-A83 WeakPolarHBondContact O-CB 3.42Å; Y78-K113 HydrophobicContact CD1-CB 3.83Å; Y78-K113 HydrophobicContact CD1-CD 4.03Å; Y78-K113 HydrophobicContact CE1-CB 3.9Å; Y78-K113 HydrophobicContact CE1-CD 3.9Å; Y78-K113 HydrophobicContact CE1-CG 4.48Å
79	D	93.3	Very high	94	Very high	29 Å²	29	44.9 Å²	44.9	16%	0.155	23%	0.228	C	C	.	.	S	Bend	trans	-61.5	113.5	-173.5	174.9	28.3	0	0	0	111.6	R84 R114	D79-R84 IonicContact OD1-CZ 3.35Å; D79-R84 VanDerWaalsContact OD1-CZ 3.23Å; D79-R84 IonicContact OD1-NE 2.76Å; D79-R84 PolarHBondContact OD1-NE 2.93Å; D79-R84 IonicContact OD1-NH2 2.91Å; D79-R84 PolarHBondContact OD1-NH2 2.96Å; D79-R84 IonicContact OD2-CZ 3.89Å; D79-R84 IonicContact OD2-NH2 3.86Å; D79-R84 PolarHBondContact OD2-NH2 2.75Å; D79-R114 HydrophobicContact CB-CB 3.69Å; D79-R114 PolarHBondContact N-O 2.97Å; D79-R114 IonicContact OD2-CZ 3.27Å; D79-R114 IonicContact OD2-NE 3.69Å; D79-R114 PolarHBondContact OD2-NE 3.21Å; D79-R114 IonicContact OD2-NH2 2.82Å; D79-R114 PolarHBondContact OD2-NH2 3.01Å; D79-R114 VanDerWaalsContact OD2-NH2 3.16Å
80	N	92.1	Very high	94	Very high	67 Å²	67	42.6 Å²	42.6	36%	0.358	20%	0.204	S	C	.	.	S	Bend	trans	-157.4	166.4	175.7	76.3	82.5	0	0	0	109.5	Y78 K82 A83 R84	Y78-N80 PolarHBondContact O-N 3.36Å; Y78-N80 VanDerWaalsContact O-N 3.11Å; Y78-N80 PolarHBondContact O-ND2 3.13Å; N80-K82 VanDerWaalsContact C-N 3.31Å; N80-K82 PolarHBondContact O-N 2.7Å; N80-K82 WeakPolarHBondContact OD1-CA 3.44Å; N80-K82 WeakPolarHBondContact OD1-CB 3.32Å; N80-K82 PolarHBondContact OD1-N 3.46Å; N80-A83 WeakPolarHBondContact ND2-CB 3.35Å; N80-A83 PolarHBondContact O-N 3.09Å; N80-A83 VanDerWaalsContact O-N 3.13Å; N80-A83 PolarHBondContact OD1-N 3.25Å; N80-R84 PolarHBondContact O-N 2.71Å
81	P	91.1	Very high	93.9	Very high	103 Å²	103	40.2 Å²	40.2	67%	0.669	19%	0.191	S	C	*	.	H	α-helix	trans	-56.2	-37.6	-176.7	-28.1	36.6	0	0	0	114.9	R84 Q85	P81-R84 PolarHBondContact O-N 3.35Å; P81-Q85 WeakPolarHBondContact O-CG 3.44Å; P81-Q85 PolarHBondContact O-N 3.16Å
82	K	88.7	Confident	93.8	Very high	116 Å²	116	40.9 Å²	40.9	50%	0.504	19%	0.192	S	C	.	.	H	α-helix	trans	-68.8	-42	177.4	-60.2	-173.8	175	-169.4	0	111.8	N80 R84 Q85 E86 D350	N80-K82 VanDerWaalsContact C-N 3.31Å; N80-K82 PolarHBondContact O-N 2.7Å; N80-K82 WeakPolarHBondContact OD1-CA 3.44Å; N80-K82 WeakPolarHBondContact OD1-CB 3.32Å; N80-K82 PolarHBondContact OD1-N 3.46Å; K82-R84 VanDerWaalsContact C-N 3.32Å; K82-R84 PolarHBondContact O-N 3.22Å; K82-Q85 WeakPolarHBondContact O-CB 3.46Å; K82-Q85 PolarHBondContact O-N 2.83Å; K82-E86 WeakPolarHBondContact O-CB 3.32Å; K82-E86 PolarHBondContact O-N 2.8Å; K82-D350 WeakPolarHBondContact CE-OD2 3.3Å; K82-D350 IonicContact NZ-OD2 3.37Å; K82-D350 PolarHBondContact NZ-OD2 3.33Å
83	A	91.4	Very high	93.7	Very high	3 Å²	3	40.9 Å²	40.9	3%	0.025	19%	0.192	C	C	.	.	H	α-helix	trans	-63.2	-37.6	176.6	0	0	0	0	0	112.1	L77 Y78 N80 V87 L116	L77-A83 HydrophobicContact CB-CB 3.84Å; L77-A83 HydrophobicContact CD1-CB 3.9Å; Y78-A83 WeakPolarHBondContact O-CB 3.42Å; N80-A83 WeakPolarHBondContact ND2-CB 3.35Å; N80-A83 PolarHBondContact O-N 3.09Å; N80-A83 VanDerWaalsContact O-N 3.13Å; N80-A83 PolarHBondContact OD1-N 3.25Å; A83-V87 VanDerWaalsContact O-CG2 3.31Å; A83-V87 WeakPolarHBondContact O-CG2 3.33Å; A83-V87 PolarHBondContact O-N 3.48Å; A83-V87 VanDerWaalsContact O-N 3.11Å; A83-L116 HydrophobicContact CB-CD1 4.12Å
84	R	93.8	Very high	93.6	Very high	90 Å²	90	41 Å²	41	34%	0.34	19%	0.193	S	C	.	.	H	α-helix	trans	-67.7	-37	173.6	-70.5	-172.6	-173	-104.7	1.1	112.5	D79 N80 P81 K82 E88 E107 L116	D79-R84 IonicContact OD1-CZ 3.35Å; D79-R84 VanDerWaalsContact OD1-CZ 3.23Å; D79-R84 IonicContact OD1-NE 2.76Å; D79-R84 PolarHBondContact OD1-NE 2.93Å; D79-R84 IonicContact OD1-NH2 2.91Å; D79-R84 PolarHBondContact OD1-NH2 2.96Å; D79-R84 IonicContact OD2-CZ 3.89Å; D79-R84 IonicContact OD2-NH2 3.86Å; D79-R84 PolarHBondContact OD2-NH2 2.75Å; N80-R84 PolarHBondContact O-N 2.71Å; P81-R84 PolarHBondContact O-N 3.35Å; K82-R84 VanDerWaalsContact C-N 3.32Å; K82-R84 PolarHBondContact O-N 3.22Å; R84-E88 VanDerWaalsContact O-CB 3.31Å; R84-E88 WeakPolarHBondContact O-CB 3.31Å; R84-E88 PolarHBondContact O-N 2.78Å; R84-E107 IonicContact CZ-OE2 2.77Å; R84-E107 IonicContact NH1-OE2 2.8Å; R84-E107 PolarHBondContact NH1-OE2 3.38Å; R84-E107 VanDerWaalsContact NH1-OE2 3.13Å; R84-E107 IonicContact NH2-OE2 3.64Å; R84-E107 PolarHBondContact NH2-OE2 2.87Å; R84-L116 HydrophobicContact CB-CD1 4.48Å; R84-L116 HydrophobicContact CG-CD1 3.7Å
85	Q	92.1	Very high	93.3	Very high	99 Å²	99	43.3 Å²	43.3	46%	0.463	22%	0.218	S	C	.	.	H	α-helix	trans	-66.1	-45.1	173.6	-76.5	177.2	-12.5	0	0	112.3	P81 K82 V87 E88 Y89	P81-Q85 WeakPolarHBondContact O-CG 3.44Å; P81-Q85 PolarHBondContact O-N 3.16Å; K82-Q85 WeakPolarHBondContact O-CB 3.46Å; K82-Q85 PolarHBondContact O-N 2.83Å; Q85-V87 VanDerWaalsContact C-N 3.34Å; Q85-V87 PolarHBondContact O-N 2.99Å; Q85-E88 PolarHBondContact O-N 2.66Å; Q85-Y89 HydrophobicContact CB-CD2 4.38Å; Q85-Y89 HydrophobicContact CB-CE2 3.77Å; Q85-Y89 WeakPolarHBondContact O-CD2 3.42Å; Q85-Y89 VanDerWaalsContact O-CG 3.22Å; Q85-Y89 PolarHBondContact O-N 2.92Å
86	E	92.6	Very high	93.4	Very high	5 Å²	5	43.3 Å²	43.3	2%	0.023	22%	0.219	C	C	.	.	H	α-helix	trans	-53.1	-50.5	174.1	172.9	179	164.9	0	0	111.3	N57 K75 L77 K82 H90 F190 G191	N57-E86 PolarHBondContact ND2-OE2 3.27Å; K75-E86 WeakPolarHBondContact CE-OE1 3.44Å; K75-E86 IonicContact NZ-OE1 3.18Å; K75-E86 PolarHBondContact NZ-OE1 3.1Å; L77-E86 HydrophobicContact CD1-CB 4.43Å; L77-E86 VanDerWaalsContact CD1-CD 3.46Å; L77-E86 HydrophobicContact CD1-CG 4.13Å; L77-E86 WeakPolarHBondContact CD1-OE2 3.46Å; K82-E86 WeakPolarHBondContact O-CB 3.32Å; K82-E86 PolarHBondContact O-N 2.8Å; E86-H90 WeakPolarHBondContact O-CB 3.5Å; E86-H90 PolarHBondContact O-N 3.17Å; E86-F190 HydrophobicContact CG-CB 4.08Å; E86-G191 WeakPolarHBondContact OE2-CA 3.21Å
87	V	94.7	Very high	93.6	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.012	24%	0.236	C	C	.	.	H	α-helix	trans	-58.9	-48.5	175.9	170.6	0	0	0	0	111.8	L34 L77 A83 Q85 H90 W91 V105 L116 I118	L34-V87 HydrophobicContact CD1-CG1 4.4Å; L34-V87 HydrophobicContact CD2-CG1 3.74Å; L77-V87 HydrophobicContact CD1-CG2 4.3Å; A83-V87 VanDerWaalsContact O-CG2 3.31Å; A83-V87 WeakPolarHBondContact O-CG2 3.33Å; A83-V87 PolarHBondContact O-N 3.48Å; A83-V87 VanDerWaalsContact O-N 3.11Å; Q85-V87 VanDerWaalsContact C-N 3.34Å; Q85-V87 PolarHBondContact O-N 2.99Å; V87-H90 PolarHBondContact O-N 2.89Å; V87-W91 VanDerWaalsContact O-CB 3.27Å; V87-W91 WeakPolarHBondContact O-CB 3.48Å; V87-W91 PolarHBondContact O-N 3.15Å; V87-V105 HydrophobicContact CG1-CG1 3.96Å; V87-V105 HydrophobicContact CG1-CG2 3.87Å; V87-L116 HydrophobicContact CG2-CB 4.47Å; V87-L116 HydrophobicContact CG2-CD1 3.99Å; V87-I118 HydrophobicContact CG2-CD1 3.51Å; V87-I118 HydrophobicContact CG2-CG1 3.82Å
88	E	94.8	Very high	93.9	Very high	66 Å²	66	46.9 Å²	46.9	31%	0.308	24%	0.242	S	C	.	.	H	α-helix	trans	-63.5	-42.6	-177.6	175.1	56.4	-143.8	0	0	112.3	R84 Q85 R92	R84-E88 VanDerWaalsContact O-CB 3.31Å; R84-E88 WeakPolarHBondContact O-CB 3.31Å; R84-E88 PolarHBondContact O-N 2.78Å; Q85-E88 PolarHBondContact O-N 2.66Å; E88-R92 WeakPolarHBondContact O-CG 3.5Å; E88-R92 PolarHBondContact O-N 3.03Å; E88-R92 WeakPolarHBondContact OE1-CD 3.24Å; E88-R92 WeakPolarHBondContact OE1-CG 3.15Å; E88-R92 IonicContact OE1-CZ 2.8Å; E88-R92 IonicContact OE1-NE 3.69Å; E88-R92 PolarHBondContact OE1-NE 2.73Å; E88-R92 IonicContact OE1-NH2 3.82Å
89	Y	94.6	Very high	94.1	Very high	13 Å²	13	42.3 Å²	42.3	5%	0.051	22%	0.224	C	C	.	.	H	α-helix	trans	-66.8	-42.4	176	-60	-39.1	0	0	0	111.8	Q85 R92 A93 I164 A193 E195	Q85-Y89 HydrophobicContact CB-CD2 4.38Å; Q85-Y89 HydrophobicContact CB-CE2 3.77Å; Q85-Y89 WeakPolarHBondContact O-CD2 3.42Å; Q85-Y89 VanDerWaalsContact O-CG 3.22Å; Q85-Y89 PolarHBondContact O-N 2.92Å; Y89-R92 PolarHBondContact O-N 2.73Å; Y89-A93 WeakPolarHBondContact O-CB 3.45Å; Y89-A93 PolarHBondContact O-N 3.44Å; Y89-I164 HydrophobicContact CD1-CD1 3.9Å; Y89-I164 HydrophobicContact CD1-CG1 4.17Å; Y89-I164 HydrophobicContact CG-CD1 4.33Å; Y89-A193 HydrophobicContact CD2-CB 4.02Å; Y89-A193 WeakPolarHBondContact CD2-O 3.37Å; Y89-A193 WeakPolarHBondContact CE2-O 3.33Å; Y89-E195 HydrophobicContact CE1-CB 3.79Å; Y89-E195 PolarHBondContact OH-N 3.16Å
90	H	95.8	Very high	94.3	Very high	3 Å²	3	41 Å²	41	1%	0.014	22%	0.217	C	C	.	.	H	α-helix	trans	-68	-39.4	179.3	-162	175.1	0	0	0	111.5	E86 V87 A93 S94 V100 V102 F190	E86-H90 WeakPolarHBondContact O-CB 3.5Å; E86-H90 PolarHBondContact O-N 3.17Å; V87-H90 PolarHBondContact O-N 2.89Å; H90-A93 CarbonylContact O-C 3.5Å; H90-A93 PolarHBondContact O-N 3.26Å; H90-S94 PolarHBondContact O-N 3.07Å; H90-S94 PolarHBondContact O-OG 3.03Å; H90-V100 PolarHBondContact CD2-O 3.39Å; H90-V100 PolarHBondContact NE2-O 3.09Å; H90-V102 HydrophobicContact CB-CG2 4.19Å; H90-F190 HydrophobicContact CB-CB 3.97Å; H90-F190 HydrophobicContact CB-CD1 4.04Å; H90-F190 HydrophobicContact CB-CD2 3.82Å; H90-F190 HydrophobicContact CB-CE2 4.37Å; H90-F190 HydrophobicContact CB-CG 3.66Å; H90-F190 AromaticContact CD2-CD2 3.53Å; H90-F190 AromaticContact CD2-CE2 3.44Å; H90-F190 VanDerWaalsContact CD2-CE2 3.44Å; H90-F190 WeakPolarHBondContact CD2-CE2 3.07Å; H90-F190 AromaticContact CG-CD2 3.41Å; H90-F190 VanDerWaalsContact CG-CD2 3.41Å; H90-F190 AromaticContact CG-CE2 3.83Å; H90-F190 AromaticContact CG-CG 3.81Å; H90-F190 AromaticContact ND1-CD2 3.73Å; H90-F190 AromaticContact NE2-CD2 3.93Å; H90-F190 AromaticContact NE2-CE2 3.84Å
91	W	95.6	Very high	94.5	Very high	53 Å²	53	41.7 Å²	41.7	20%	0.201	22%	0.218	C	C	.	.	H	α-helix	trans	-60.9	-50.9	173.6	-176.2	-95.3	0	0	0	111.6	V32 L34 V87 A93 S94 V102	V32-W91 HydrophobicContact CB-CZ2 4.47Å; V32-W91 HydrophobicContact CG1-CZ2 4.08Å; V32-W91 PolarHBondContact O-NE1 2.82Å; L34-W91 HydrophobicContact CB-CD2 4.28Å; L34-W91 HydrophobicContact CB-CG 4.03Å; L34-W91 HydrophobicContact CD1-CB 4.35Å; L34-W91 HydrophobicContact CD1-CD2 3.62Å; L34-W91 HydrophobicContact CD1-CE3 3.75Å; L34-W91 HydrophobicContact CD1-CG 3.89Å; L34-W91 HydrophobicContact CD1-CZ3 4.31Å; L34-W91 HydrophobicContact CG-CG 4.41Å; V87-W91 VanDerWaalsContact O-CB 3.27Å; V87-W91 WeakPolarHBondContact O-CB 3.48Å; V87-W91 PolarHBondContact O-N 3.15Å; W91-A93 PolarHBondContact O-N 2.76Å; W91-S94 WeakPolarHBondContact O-CB 3.5Å; W91-S94 PolarHBondContact O-N 2.82Å; W91-S94 VanDerWaalsContact O-N 3.11Å; W91-V102 HydrophobicContact CE3-CB 3.96Å; W91-V102 HydrophobicContact CE3-CG1 3.72Å; W91-V102 HydrophobicContact CZ3-CB 4.4Å; W91-V102 HydrophobicContact CZ3-CG1 4.02Å
92	R	94.4	Very high	94.8	Very high	54 Å²	54	37 Å²	37	20%	0.204	19%	0.187	C	C	.	.	H	α-helix	trans	-57.5	-34.2	173.7	-76.1	-169.4	-92.9	158.8	-9.5	112.8	E88 Y89 M162 E195	E88-R92 WeakPolarHBondContact O-CG 3.5Å; E88-R92 PolarHBondContact O-N 3.03Å; E88-R92 WeakPolarHBondContact OE1-CD 3.24Å; E88-R92 WeakPolarHBondContact OE1-CG 3.15Å; E88-R92 IonicContact OE1-CZ 2.8Å; E88-R92 IonicContact OE1-NE 3.69Å; E88-R92 PolarHBondContact OE1-NE 2.73Å; E88-R92 IonicContact OE1-NH2 3.82Å; Y89-R92 PolarHBondContact O-N 2.73Å; R92-M162 HydrophobicContact CB-SD 4.41Å; R92-E195 IonicContact CZ-OE1 3.69Å; R92-E195 IonicContact NH1-OE1 2.65Å; R92-E195 PolarHBondContact NH1-OE1 3.45Å; R92-E195 IonicContact NH2-OE1 2.62Å; R92-E195 PolarHBondContact NH2-OE1 3.18Å
93	A	95.8	Very high	95.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-77.4	-18.5	179	0	0	0	0	0	115.2	Y89 H90 W91 G95 C96 I99 L159 M162 F190	Y89-A93 WeakPolarHBondContact O-CB 3.45Å; Y89-A93 PolarHBondContact O-N 3.44Å; H90-A93 CarbonylContact O-C 3.5Å; H90-A93 PolarHBondContact O-N 3.26Å; W91-A93 PolarHBondContact O-N 2.76Å; A93-G95 PolarHBondContact O-N 3.46Å; A93-C96 PolarHBondContact O-N 3.19Å; A93-C96 VanDerWaalsContact O-N 3.09Å; A93-I99 HydrophobicContact CB-CD1 3.91Å; A93-I99 HydrophobicContact CB-CG2 4.02Å; A93-L159 HydrophobicContact CB-CD2 3.57Å; A93-M162 HydrophobicContact CB-CE 4.43Å; A93-F190 HydrophobicContact CB-CE1 3.53Å; A93-F190 HydrophobicContact CB-CZ 3.44Å; A93-F190 VanDerWaalsContact CB-CZ 3.44Å
94	S	94.1	Very high	95.5	Very high	11 Å²	11	35 Å²	35	8%	0.077	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-6.8	-171.5	-68.2	0	0	0	0	115	H90 W91 C96 H101 V102	H90-S94 PolarHBondContact O-N 3.07Å; H90-S94 PolarHBondContact O-OG 3.03Å; W91-S94 WeakPolarHBondContact O-CB 3.5Å; W91-S94 PolarHBondContact O-N 2.82Å; W91-S94 VanDerWaalsContact O-N 3.11Å; S94-C96 VanDerWaalsContact C-N 3.34Å; S94-H101 PolarHBondContact O-ND1 2.91Å; S94-V102 PolarHBondContact OG-N 3.3Å
95	G	91.5	Very high	95.6	Very high	56 Å²	56	30.8 Å²	30.8	58%	0.577	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-9.9	171.3	0	0	0	0	0	115	A93	A93-G95 PolarHBondContact O-N 3.46Å
96	C	96.3	Very high	95.9	Very high	6 Å²	6	26.1 Å²	26.1	4%	0.041	14%	0.144	C	C	.	.	S	Bend	trans	-86.7	131.9	178.6	-176.3	0	0	0	0	111.7	A93 S94 H98 I99 Y158	A93-C96 PolarHBondContact O-N 3.19Å; A93-C96 VanDerWaalsContact O-N 3.09Å; S94-C96 VanDerWaalsContact C-N 3.34Å; C96-H98 PolarHBondContact O-N 2.9Å; C96-I99 HydrophobicContact CB-CB 4.05Å; C96-I99 HydrophobicContact CB-CD1 3.69Å; C96-I99 HydrophobicContact CB-CG1 3.78Å; C96-I99 PolarHBondContact O-N 2.93Å; C96-I99 VanDerWaalsContact O-N 3.15Å; C96-Y158 HydrophobicContact CB-CD1 3.52Å; C96-Y158 HydrophobicContact CB-CD2 4.18Å; C96-Y158 HydrophobicContact CB-CE1 3.88Å; C96-Y158 HydrophobicContact CB-CE2 4.5Å; C96-Y158 HydrophobicContact CB-CG 3.69Å
97	P	96.9	Very high	96.2	Very high	84 Å²	84	28.2 Å²	28.2	55%	0.545	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-22.2	179.8	25.5	-34.6	0	0	0	113.9	K186	P97-K186 WeakPolarHBondContact O-CE 3.48Å
98	H	98.2	Very high	96.2	Very high	27 Å²	27	29.2 Å²	29.2	13%	0.125	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	22	178.8	-60.2	-73.6	0	0	0	113.1	C96 D151 A155 L185 K186 L187	C96-H98 PolarHBondContact O-N 2.9Å; H98-D151 IonicContact CE1-OD1 2.89Å; H98-D151 PolarHBondContact CE1-OD1 3.41Å; H98-D151 IonicContact CE1-OD2 3.51Å; H98-D151 PolarHBondContact CE1-OD2 2.91Å; H98-D151 VanDerWaalsContact CE1-OD2 3.26Å; H98-D151 IonicContact ND1-OD2 2.75Å; H98-D151 IonicContact NE2-OD1 3.81Å; H98-A155 HydrophobicContact CB-CB 3.9Å; H98-A155 WeakPolarHBondContact O-CB 2.98Å; H98-L185 PolarHBondContact ND1-O 3.02Å; H98-L185 VanDerWaalsContact ND1-O 3.09Å; H98-K186 CarbonylContact O-C 3.55Å; H98-K186 WeakPolarHBondContact O-CA 3.27Å; H98-L187 PolarHBondContact O-N 2.9Å
99	I	98.3	Very high	96.3	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-127.8	137.8	174.5	-61.7	-178.5	0	0	0	108.1	A93 C96 H101 A155 Y158 L159 F190	A93-I99 HydrophobicContact CB-CD1 3.91Å; A93-I99 HydrophobicContact CB-CG2 4.02Å; C96-I99 HydrophobicContact CB-CB 4.05Å; C96-I99 HydrophobicContact CB-CD1 3.69Å; C96-I99 HydrophobicContact CB-CG1 3.78Å; C96-I99 PolarHBondContact O-N 2.93Å; C96-I99 VanDerWaalsContact O-N 3.15Å; I99-H101 PolarHBondContact O-N 3.29Å; I99-A155 HydrophobicContact CD1-CB 4.36Å; I99-A155 HydrophobicContact CG1-CB 3.89Å; I99-Y158 HydrophobicContact CD1-CD1 4.24Å; I99-L159 HydrophobicContact CD1-CD1 4.29Å; I99-L159 HydrophobicContact CD1-CD2 3.81Å; I99-L159 HydrophobicContact CD1-CG 3.83Å; I99-F190 HydrophobicContact CD1-CZ 4.4Å; I99-F190 HydrophobicContact CG2-CE2 3.75Å; I99-F190 HydrophobicContact CG2-CZ 3.7Å
100	V	97.3	Very high	96	Very high	2 Å²	2	35 Å²	35	1%	0.012	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-59.5	124.5	177.8	171.1	0	0	0	0	109.8	H90 M120 E121 M123 K186 L187	H90-V100 PolarHBondContact CD2-O 3.39Å; H90-V100 PolarHBondContact NE2-O 3.09Å; V100-M120 HydrophobicContact CG1-CB 3.92Å; V100-M120 HydrophobicContact CG1-CG 4.41Å; V100-M120 HydrophobicContact CG1-SD 4.29Å; V100-E121 WeakPolarHBondContact CA-OE1 3.45Å; V100-E121 HydrophobicContact CG1-CG 3.94Å; V100-M123 HydrophobicContact CG2-CE 4.26Å; V100-M123 HydrophobicContact CG2-CG 3.85Å; V100-M123 HydrophobicContact CG2-SD 3.83Å; V100-K186 HydrophobicContact CG2-CB 3.96Å; V100-L187 PolarHBondContact N-O 2.77Å
101	H	96.9	Very high	95.8	Very high	82 Å²	82	42.3 Å²	42.3	38%	0.38	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-78.8	127.2	-176.2	-170.1	81.4	0	0	0	111.6	S94 I99 M120 E121	S94-H101 PolarHBondContact O-ND1 2.91Å; I99-H101 PolarHBondContact O-N 3.29Å; H101-M120 VanDerWaalsContact O-CA 3.3Å; H101-M120 WeakPolarHBondContact O-CA 3.07Å; H101-E121 HydrophobicContact CB-CG 4.36Å; H101-E121 WeakPolarHBondContact CB-OE1 3.35Å; H101-E121 PolarHBondContact N-OE1 2.85Å; H101-E121 PolarHBondContact O-N 3.37Å
102	V	97.2	Very high	95.6	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.018	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	119.8	169.5	-178.9	0	0	0	0	108.9	H90 W91 S94 V105 I118 M120	H90-V102 HydrophobicContact CB-CG2 4.19Å; W91-V102 HydrophobicContact CE3-CB 3.96Å; W91-V102 HydrophobicContact CE3-CG1 3.72Å; W91-V102 HydrophobicContact CZ3-CB 4.4Å; W91-V102 HydrophobicContact CZ3-CG1 4.02Å; S94-V102 PolarHBondContact OG-N 3.3Å; V102-V105 HydrophobicContact CG1-CG2 3.8Å; V102-I118 HydrophobicContact CG1-CG2 3.69Å; V102-I118 HydrophobicContact CG2-CG2 4.08Å; V102-M120 HydrophobicContact CG2-CG 4.39Å
103	L	96.6	Very high	95.6	Very high	51 Å²	51	46.6 Å²	46.6	27%	0.267	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-43.1	-178.9	-66.8	167.2	0	0	0	112.1	C72 V119	C72-L103 HydrophobicContact CB-CD1 4.36Å; C72-L103 VanDerWaalsContact SG-CD1 3.55Å; L103-V119 HydrophobicContact CB-CB 4.44Å; L103-V119 HydrophobicContact CB-CG1 4.23Å; L103-V119 HydrophobicContact CD1-CG1 4.22Å; L103-V119 PolarHBondContact N-O 3.47Å
104	D	97.3	Very high	95.6	Very high	28 Å²	28	53.7 Å²	53.7	15%	0.15	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	156	-177.2	-88.1	-43.6	0	0	0	110.9	K37 Y45 Y106 V119	K37-D104 WeakPolarHBondContact CE-OD1 3.3Å; K37-D104 IonicContact NZ-OD1 3.64Å; K37-D104 PolarHBondContact NZ-OD1 3.02Å; K37-D104 IonicContact NZ-OD2 2.82Å; K37-D104 PolarHBondContact NZ-OD2 3.03Å; Y45-D104 WeakPolarHBondContact CE2-OD2 3.41Å; Y45-D104 PolarHBondContact OH-OD2 2.88Å; D104-Y106 HydrophobicContact CB-CD2 4.3Å; D104-Y106 HydrophobicContact CB-CE2 3.47Å; D104-Y106 VanDerWaalsContact CB-CE2 3.47Å; D104-Y106 PolarHBondContact OD2-OH 3.34Å; D104-V119 HydrophobicContact CB-CB 4.01Å; D104-V119 HydrophobicContact CB-CG2 4.03Å; D104-V119 PolarHBondContact N-O 3.37Å; D104-V119 PolarHBondContact O-N 3.47Å
105	V	97.7	Very high	95.7	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.006	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	129.7	169.7	-174	0	0	0	0	110.3	L34 I36 K37 V87 V102 L117	L34-V105 HydrophobicContact CD1-CB 4.15Å; L34-V105 HydrophobicContact CD1-CG2 3.76Å; I36-V105 WeakPolarHBondContact CA-O 3.06Å; I36-V105 HydrophobicContact CG1-CG1 4.26Å; I36-V105 HydrophobicContact CG2-CG1 4.28Å; K37-V105 PolarHBondContact N-O 2.91Å; V87-V105 HydrophobicContact CG1-CG1 3.96Å; V87-V105 HydrophobicContact CG1-CG2 3.87Å; V102-V105 HydrophobicContact CG1-CG2 3.8Å; V105-L117 WeakPolarHBondContact CA-O 3.04Å
106	Y	97.9	Very high	95.9	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	141	176.7	-55.5	-106.9	0	0	0	111.3	K37 H39 V41 D44 Y45 D104 L116 L117 V119	K37-Y106 HydrophobicContact CB-CD1 3.49Å; K37-Y106 VanDerWaalsContact CB-CD1 3.49Å; K37-Y106 HydrophobicContact CB-CE1 3.7Å; K37-Y106 HydrophobicContact CB-CG 4.06Å; K37-Y106 HydrophobicContact CD-CD1 4.06Å; K37-Y106 HydrophobicContact CD-CE1 3.38Å; K37-Y106 HydrophobicContact CD-CE2 4.22Å; K37-Y106 VanDerWaalsContact CD-CZ 3.42Å; K37-Y106 WeakPolarHBondContact CD-OH 3.46Å; K37-Y106 HydrophobicContact CG-CD1 4.43Å; K37-Y106 HydrophobicContact CG-CE1 4.19Å; K37-Y106 PolarHBondContact NZ-OH 3.35Å; K37-Y106 CarbonylContact O-C 3.53Å; K37-Y106 VanDerWaalsContact O-CA 3.3Å; K37-Y106 WeakPolarHBondContact O-CA 3.37Å; H39-Y106 AromaticContact NE2-CE1 3.81Å; V41-Y106 HydrophobicContact CB-CD1 4.09Å; V41-Y106 HydrophobicContact CB-CD2 4Å; V41-Y106 HydrophobicContact CB-CE1 4.46Å; V41-Y106 HydrophobicContact CB-CE2 4.39Å; V41-Y106 HydrophobicContact CB-CG 3.89Å; V41-Y106 HydrophobicContact CG2-CD1 4.45Å; V41-Y106 HydrophobicContact CG2-CD2 3.64Å; V41-Y106 HydrophobicContact CG2-CE2 3.73Å; V41-Y106 HydrophobicContact CG2-CG 4.08Å; D44-Y106 PolarHBondContact OD2-OH 3.32Å; Y45-Y106 HydrophobicContact CD2-CE2 4.4Å; Y45-Y106 HydrophobicContact CE2-CE2 4.33Å; Y45-Y106 WeakPolarHBondContact CE2-OH 3.43Å; D104-Y106 HydrophobicContact CB-CD2 4.3Å; D104-Y106 HydrophobicContact CB-CE2 3.47Å; D104-Y106 VanDerWaalsContact CB-CE2 3.47Å; D104-Y106 PolarHBondContact OD2-OH 3.34Å; Y106-L116 CarbonylContact O-C 3.57Å; Y106-L116 WeakPolarHBondContact O-CA 3.31Å; Y106-L117 PolarHBondContact N-O 2.98Å; Y106-L117 PolarHBondContact O-N 3.44Å; Y106-V119 HydrophobicContact CD2-CG2 4.27Å; Y106-V119 HydrophobicContact CE2-CG2 3.81Å
107	E	97.4	Very high	95.9	Very high	50 Å²	50	50.8 Å²	50.8	23%	0.234	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	109.3	165.6	-175.4	178.9	113.9	0	0	108.8	I36 K37 R84 C115 L116	I36-E107 HydrophobicContact CG2-CB 3.65Å; K37-E107 PolarHBondContact O-N 2.76Å; R84-E107 IonicContact CZ-OE2 2.77Å; R84-E107 IonicContact NH1-OE2 2.8Å; R84-E107 PolarHBondContact NH1-OE2 3.38Å; R84-E107 VanDerWaalsContact NH1-OE2 3.13Å; R84-E107 IonicContact NH2-OE2 3.64Å; R84-E107 PolarHBondContact NH2-OE2 2.87Å; E107-C115 WeakPolarHBondContact CA-O 3.4Å; E107-L116 HydrophobicContact CB-CD2 4.41Å
108	N	96.2	Very high	95.9	Very high	23 Å²	23	46.9 Å²	46.9	12%	0.123	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	176.2	-172.5	-84.7	-164.3	0	0	0	110.7	H39 A40 V41 R114 C115 L117	H39-N108 PolarHBondContact O-ND2 2.82Å; A40-N108 WeakPolarHBondContact CA-OD1 3.4Å; V41-N108 PolarHBondContact N-OD1 2.83Å; N108-R114 CarbonylContact O-C 3.57Å; N108-R114 WeakPolarHBondContact O-CA 3.31Å; N108-C115 PolarHBondContact N-O 3.01Å; N108-C115 PolarHBondContact O-N 2.85Å; N108-C115 PolarHBondContact O-SG 3.3Å; N108-L117 HydrophobicContact CB-CD1 3.68Å; N108-L117 HydrophobicContact CB-CG 4.38Å
109	I	95.3	Very high	95.8	Very high	133 Å²	133	45.6 Å²	45.6	68%	0.682	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-109	123.1	175.4	-60	177.2	0	0	0	109.9	K113	I109-K113 CarbonylContact C-O 3.58Å; I109-K113 WeakPolarHBondContact CA-O 3.49Å
110	H	90	Very high	95.8	Very high	66 Å²	66	46 Å²	46	31%	0.306	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	123.9	173.6	-175.6	70	0	0	0	109.8	L76 G112 K113 C115	L76-H110 HydrophobicContact CD1-CB 4.11Å; H110-G112 PolarHBondContact O-N 3.42Å; H110-K113 PolarHBondContact N-O 2.84Å; H110-K113 PolarHBondContact O-N 3.11Å; H110-C115 HydrophobicContact CB-CB 4.33Å; H110-C115 VanDerWaalsContact CB-SG 3.59Å
111	H	90.1	Very high	95.7	Very high	157 Å²	157	47.5 Å²	47.5	73%	0.727	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.6	44.5	-175.4	-58.7	148.9	0	0	0	114	K113	H111-K113 VanDerWaalsContact C-N 3.25Å; H111-K113 PolarHBondContact O-N 2.8Å
112	G	92.8	Very high	95.7	Very high	72 Å²	72	44.5 Å²	44.5	74%	0.742	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.8	4.4	179.2	0	0	0	0	0	115.6	H110	H110-G112 PolarHBondContact O-N 3.42Å
113	K	94	Very high	95.6	Very high	126 Å²	126	45.8 Å²	45.8	55%	0.548	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	144.4	176.1	-62	180	-178.1	178.5	0	110.4	Y78 I109 H110 H111	Y78-K113 HydrophobicContact CD1-CB 3.83Å; Y78-K113 HydrophobicContact CD1-CD 4.03Å; Y78-K113 HydrophobicContact CE1-CB 3.9Å; Y78-K113 HydrophobicContact CE1-CD 3.9Å; Y78-K113 HydrophobicContact CE1-CG 4.48Å; I109-K113 CarbonylContact C-O 3.58Å; I109-K113 WeakPolarHBondContact CA-O 3.49Å; H110-K113 PolarHBondContact N-O 2.84Å; H110-K113 PolarHBondContact O-N 3.11Å; H111-K113 VanDerWaalsContact C-N 3.25Å; H111-K113 PolarHBondContact O-N 2.8Å
114	R	95.9	Very high	95.5	Very high	148 Å²	148	48.2 Å²	48.2	56%	0.558	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-64.4	140.9	168.7	-69.5	-163.4	-53.3	-95.5	-2.2	110.1	D79 N108	D79-R114 HydrophobicContact CB-CB 3.69Å; D79-R114 PolarHBondContact N-O 2.97Å; D79-R114 IonicContact OD2-CZ 3.27Å; D79-R114 IonicContact OD2-NE 3.69Å; D79-R114 PolarHBondContact OD2-NE 3.21Å; D79-R114 IonicContact OD2-NH2 2.82Å; D79-R114 PolarHBondContact OD2-NH2 3.01Å; D79-R114 VanDerWaalsContact OD2-NH2 3.16Å; N108-R114 CarbonylContact O-C 3.57Å; N108-R114 WeakPolarHBondContact O-CA 3.31Å
115	C	95.1	Very high	95.3	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.007	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	151.2	177.6	61.2	0	0	0	0	110.4	L76 L77 E107 N108 H110	L76-C115 HydrophobicContact CD2-CB 4.39Å; L76-C115 HydrophobicContact CG-CB 4.3Å; L77-C115 CarbonylContact O-C 3.42Å; L77-C115 WeakPolarHBondContact O-CA 3.47Å; L77-C115 VanDerWaalsContact O-CB 3.24Å; L77-C115 WeakPolarHBondContact O-CB 3.37Å; E107-C115 WeakPolarHBondContact CA-O 3.4Å; N108-C115 PolarHBondContact N-O 3.01Å; N108-C115 PolarHBondContact O-N 2.85Å; N108-C115 PolarHBondContact O-SG 3.3Å; H110-C115 HydrophobicContact CB-CB 4.33Å; H110-C115 VanDerWaalsContact CB-SG 3.59Å
116	L	96	Very high	95.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	129	166.8	-55.5	173.1	0	0	0	107.1	L77 A83 R84 V87 Y106 E107	L77-L116 HydrophobicContact CB-CB 4.49Å; L77-L116 PolarHBondContact N-O 3.27Å; L77-L116 PolarHBondContact O-N 2.98Å; A83-L116 HydrophobicContact CB-CD1 4.12Å; R84-L116 HydrophobicContact CB-CD1 4.48Å; R84-L116 HydrophobicContact CG-CD1 3.7Å; V87-L116 HydrophobicContact CG2-CB 4.47Å; V87-L116 HydrophobicContact CG2-CD1 3.99Å; Y106-L116 CarbonylContact O-C 3.57Å; Y106-L116 WeakPolarHBondContact O-CA 3.31Å; E107-L116 HydrophobicContact CB-CD2 4.41Å
117	L	96.3	Very high	95	Very high	12 Å²	12	50.8 Å²	50.8	6%	0.063	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	109.6	179.6	-56.5	178.5	0	0	0	107.5	V41 L74 L76 V105 Y106 N108	V41-L117 HydrophobicContact CB-CD1 4.03Å; V41-L117 HydrophobicContact CG1-CD1 3.49Å; V41-L117 VanDerWaalsContact CG1-CD1 3.49Å; L74-L117 HydrophobicContact CD1-CB 4.17Å; L76-L117 HydrophobicContact CB-CD2 3.86Å; L76-L117 HydrophobicContact CD1-CD2 3.68Å; L76-L117 HydrophobicContact CG-CD2 3.6Å; V105-L117 WeakPolarHBondContact CA-O 3.04Å; Y106-L117 PolarHBondContact N-O 2.98Å; Y106-L117 PolarHBondContact O-N 3.44Å; N108-L117 HydrophobicContact CB-CD1 3.68Å; N108-L117 HydrophobicContact CB-CG 4.38Å
118	I	96.6	Very high	94.8	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	113.1	-172.8	-46.3	170	0	0	0	107.6	L74 K75 L77 V87 V102 M120	L74-I118 CarbonylContact C-O 3.54Å; L74-I118 WeakPolarHBondContact CA-O 3.16Å; K75-I118 HydrophobicContact CB-CB 4.32Å; K75-I118 HydrophobicContact CB-CD1 4.48Å; K75-I118 HydrophobicContact CD-CD1 4.43Å; K75-I118 PolarHBondContact N-O 3.42Å; K75-I118 PolarHBondContact O-N 2.85Å; L77-I118 HydrophobicContact CD1-CD1 3.68Å; L77-I118 HydrophobicContact CG-CD1 4.13Å; V87-I118 HydrophobicContact CG2-CD1 3.51Å; V87-I118 HydrophobicContact CG2-CG1 3.82Å; V102-I118 HydrophobicContact CG1-CG2 3.69Å; V102-I118 HydrophobicContact CG2-CG2 4.08Å; I118-M120 HydrophobicContact CG2-CG 3.89Å; I118-M120 HydrophobicContact CG2-SD 4.32Å
119	V	97.8	Very high	94.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	130	171.5	-171.8	0	0	0	0	108.1	V41 Y45 C72 A73 L74 L103 D104 Y106	V41-V119 HydrophobicContact CG2-CG2 4.35Å; Y45-V119 HydrophobicContact CD1-CG1 4.23Å; Y45-V119 HydrophobicContact CD2-CG2 4.26Å; Y45-V119 HydrophobicContact CE1-CG1 3.61Å; Y45-V119 HydrophobicContact CE2-CG1 4.44Å; Y45-V119 HydrophobicContact CE2-CG2 4.11Å; C72-V119 HydrophobicContact CB-CG1 3.69Å; A73-V119 CarbonylContact O-C 3.59Å; A73-V119 WeakPolarHBondContact O-CA 3.46Å; L74-V119 HydrophobicContact CD1-CG2 3.69Å; L103-V119 HydrophobicContact CB-CB 4.44Å; L103-V119 HydrophobicContact CB-CG1 4.23Å; L103-V119 HydrophobicContact CD1-CG1 4.22Å; L103-V119 PolarHBondContact N-O 3.47Å; D104-V119 HydrophobicContact CB-CB 4.01Å; D104-V119 HydrophobicContact CB-CG2 4.03Å; D104-V119 PolarHBondContact N-O 3.37Å; D104-V119 PolarHBondContact O-N 3.47Å; Y106-V119 HydrophobicContact CD2-CG2 4.27Å; Y106-V119 HydrophobicContact CE2-CG2 3.81Å
120	M	97.3	Very high	94.4	Very high	8 Å²	8	42.8 Å²	42.8	4%	0.039	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	161.2	-177.8	-57.9	171.6	-65.6	0	0	109.9	V60 C72 A73 K75 V100 H101 V102 I118	V60-M120 HydrophobicContact CG1-CE 4.48Å; C72-M120 WeakPolarHBondContact CA-O 3.31Å; C72-M120 WeakPolarHBondContact CB-O 3.07Å; A73-M120 HydrophobicContact CB-CE 4.22Å; A73-M120 PolarHBondContact N-O 2.94Å; A73-M120 PolarHBondContact O-N 2.9Å; K75-M120 HydrophobicContact CB-CE 3.77Å; V100-M120 HydrophobicContact CG1-CB 3.92Å; V100-M120 HydrophobicContact CG1-CG 4.41Å; V100-M120 HydrophobicContact CG1-SD 4.29Å; H101-M120 VanDerWaalsContact O-CA 3.3Å; H101-M120 WeakPolarHBondContact O-CA 3.07Å; V102-M120 HydrophobicContact CG2-CG 4.39Å; I118-M120 HydrophobicContact CG2-CG 3.89Å; I118-M120 HydrophobicContact CG2-SD 4.32Å
121	E	96.4	Very high	94.5	Very high	35 Å²	35	42.2 Å²	42.2	16%	0.164	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	147.6	166.1	67.3	-178.5	133.6	0	0	111.3	V100 H101 M123 K186	V100-E121 WeakPolarHBondContact CA-OE1 3.45Å; V100-E121 HydrophobicContact CG1-CG 3.94Å; H101-E121 HydrophobicContact CB-CG 4.36Å; H101-E121 WeakPolarHBondContact CB-OE1 3.35Å; H101-E121 PolarHBondContact N-OE1 2.85Å; H101-E121 PolarHBondContact O-N 3.37Å; E121-M123 HydrophobicContact CG-SD 4.05Å; E121-K186 WeakPolarHBondContact OE1-CD 3.44Å; E121-K186 IonicContact OE1-NZ 3.83Å; E121-K186 PolarHBondContact OE1-NZ 3.34Å; E121-K186 IonicContact OE2-NZ 3.74Å; E121-K186 PolarHBondContact OE2-NZ 2.58Å
122	C	95.7	Very high	94.6	Very high	19 Å²	19	34.9 Å²	34.9	13%	0.128	19%	0.187	C	C	.	.			trans	-87.9	123.9	-179.8	-168.5	0	0	0	0	110.8	K71 E124	K71-C122 VanDerWaalsContact CE-SG 3.59Å; K71-C122 HydrophobicContact CG-CB 4.15Å; K71-C122 WeakPolarHBondContact O-CB 3.45Å; C122-E124 HydrophobicContact CB-CG 4.33Å; C122-E124 PolarHBondContact O-N 3.19Å
123	M	95.9	Very high	94.3	Very high	30 Å²	30	33.1 Å²	33.1	15%	0.148	16%	0.16	C	C	.	.			trans	-92.9	97.5	177.6	-55.5	-56.3	-70	0	0	109.7	V100 E121 L175 T177 K186	V100-M123 HydrophobicContact CG2-CE 4.26Å; V100-M123 HydrophobicContact CG2-CG 3.85Å; V100-M123 HydrophobicContact CG2-SD 3.83Å; E121-M123 HydrophobicContact CG-SD 4.05Å; M123-L175 HydrophobicContact CB-CB 3.81Å; M123-L175 HydrophobicContact CB-CD1 3.89Å; M123-L175 HydrophobicContact CE-CB 4.01Å; M123-L175 WeakPolarHBondContact CE-O 3.41Å; M123-L175 HydrophobicContact CG-CB 4.12Å; M123-L175 HydrophobicContact CG-CD1 4.17Å; M123-T177 HydrophobicContact CE-CG2 3.81Å; M123-T177 HydrophobicContact SD-CG2 4.1Å; M123-K186 HydrophobicContact CE-CB 3.71Å; M123-K186 HydrophobicContact CE-CD 3.98Å; M123-K186 HydrophobicContact CE-CG 3.88Å; M123-K186 HydrophobicContact SD-CD 4.22Å
124	E	94.1	Very high	94	Very high	101 Å²	101	32.5 Å²	32.5	47%	0.472	16%	0.159	S	C	.	.			trans	-99.2	-8.5	-172.7	-58	-159.1	85.3	0	0	114	K71 C122 G126 T177	K71-E124 WeakPolarHBondContact CE-OE1 3.34Å; K71-E124 IonicContact NZ-OE1 3.52Å; K71-E124 PolarHBondContact NZ-OE1 3.05Å; C122-E124 HydrophobicContact CB-CG 4.33Å; C122-E124 PolarHBondContact O-N 3.19Å; E124-G126 VanDerWaalsContact C-N 3.35Å; E124-T177 PolarHBondContact N-O 3.44Å
125	G	93.8	Very high	93.2	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.01	15%	0.145	C	C	.	.	S	Bend	trans	-75.8	-17.1	178.3	0	0	0	0	0	115	R131 Y176 T177 S178	G125-R131 WeakPolarHBondContact O-CD 3.44Å; G125-R131 WeakPolarHBondContact O-CG 3.43Å; G125-Y176 VanDerWaalsContact CA-O 3.27Å; G125-Y176 WeakPolarHBondContact CA-O 3.32Å; G125-Y176 PolarHBondContact N-O 3.1Å; G125-T177 PolarHBondContact N-O 2.88Å; G125-S178 WeakPolarHBondContact CA-O 3.44Å
126	G	93.3	Very high	92.1	Very high	32 Å²	32	30.3 Å²	30.3	33%	0.33	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	82.4	-176.6	-178.3	0	0	0	0	0	114.2	E124 L175 Y176	E124-G126 VanDerWaalsContact C-N 3.35Å; G126-L175 WeakPolarHBondContact O-CA 3.34Å; G126-Y176 PolarHBondContact O-N 3.4Å
127	E	94.2	Very high	90.9	Very high	51 Å²	51	38.7 Å²	38.7	24%	0.238	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	147.1	-178.8	-67.6	173.3	-148.2	0	0	112.5	F129 S130 R131 L175	E127-F129 PolarHBondContact O-N 3.44Å; E127-S130 PolarHBondContact O-N 3.04Å; E127-R131 PolarHBondContact O-N 3.46Å; E127-L175 HydrophobicContact CB-CD2 4.41Å; E127-L175 HydrophobicContact CG-CD2 3.79Å
128	L	94.8	Very high	90.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-47.4	-53.5	178.9	173.7	56.7	0	0	0	113.2	R131 I132 I148 I152 L174 Y176 L185 L238	L128-R131 PolarHBondContact O-N 3.13Å; L128-I132 HydrophobicContact CD1-CD1 4.23Å; L128-I132 HydrophobicContact CG-CD1 4.5Å; L128-I132 PolarHBondContact O-N 3.23Å; L128-I148 HydrophobicContact CD1-CD1 4.07Å; L128-I148 HydrophobicContact CD1-CG1 4.37Å; L128-I148 HydrophobicContact CD1-CG2 3.89Å; L128-I148 HydrophobicContact CD2-CG2 3.88Å; L128-I152 HydrophobicContact CD2-CD1 4.19Å; L128-L174 HydrophobicContact CB-CB 4.09Å; L128-L174 HydrophobicContact CD2-CB 4.41Å; L128-L174 HydrophobicContact CD2-CD1 3.96Å; L128-L174 PolarHBondContact N-O 3.47Å; L128-Y176 HydrophobicContact CD1-CE2 3.76Å; L128-Y176 WeakPolarHBondContact CD1-OH 3.42Å; L128-L185 HydrophobicContact CB-CD1 4.16Å; L128-L185 HydrophobicContact CD1-CD1 4.25Å; L128-L185 HydrophobicContact CD1-CD2 4.11Å; L128-L185 HydrophobicContact CD2-CD2 4.19Å; L128-L238 HydrophobicContact CD2-CD2 4.33Å
129	F	92.3	Very high	89.7	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.009	25%	0.251	C	S	.	.	H	α-helix	trans	-76.1	-33.7	-173.7	-71.3	-84.8	0	0	0	112.6	E127 R131 I132 Q133 P171 I234 I237 L238 L324 W331	E127-F129 PolarHBondContact O-N 3.44Å; F129-R131 VanDerWaalsContact C-N 3.26Å; F129-R131 PolarHBondContact O-N 3.3Å; F129-I132 HydrophobicContact CD1-CD1 4.49Å; F129-I132 PolarHBondContact O-N 3.11Å; F129-I132 VanDerWaalsContact O-N 3.16Å; F129-Q133 WeakPolarHBondContact O-CB 3.43Å; F129-Q133 PolarHBondContact O-N 3.41Å; F129-P171 HydrophobicContact CD2-CB 3.69Å; F129-P171 HydrophobicContact CD2-CG 3.89Å; F129-P171 HydrophobicContact CE2-CB 4.04Å; F129-P171 HydrophobicContact CE2-CG 3.78Å; F129-I234 HydrophobicContact CE2-CG2 4.32Å; F129-I234 HydrophobicContact CZ-CG2 4.12Å; F129-I237 HydrophobicContact CD1-CG2 3.99Å; F129-I237 HydrophobicContact CE1-CB 3.87Å; F129-I237 HydrophobicContact CE1-CG2 3.39Å; F129-I237 HydrophobicContact CZ-CB 4Å; F129-I237 HydrophobicContact CZ-CG2 3.94Å; F129-L238 HydrophobicContact CD1-CD2 4.5Å; F129-L238 HydrophobicContact CE1-CD2 3.72Å; F129-L238 HydrophobicContact CE1-CG 4.04Å; F129-L238 HydrophobicContact CZ-CD2 3.92Å; F129-L238 HydrophobicContact CZ-CG 3.95Å; F129-L324 HydrophobicContact CB-CD1 4.5Å; F129-L324 HydrophobicContact CD1-CD1 3.89Å; F129-L324 HydrophobicContact CD1-CD2 4.37Å; F129-W331 HydrophobicContact CB-CH2 3.97Å; F129-W331 HydrophobicContact CB-CZ2 3.42Å; F129-W331 VanDerWaalsContact CB-CZ2 3.42Å; F129-W331 AromaticContact CD1-CH2 3.83Å; F129-W331 HydrophobicContact CD1-CH2 3.83Å; F129-W331 HydrophobicContact CD1-CZ2 4.17Å; F129-W331 HydrophobicContact CD2-CH2 4.02Å; F129-W331 AromaticContact CD2-CZ2 3.84Å; F129-W331 HydrophobicContact CD2-CZ2 3.84Å; F129-W331 HydrophobicContact CE1-CH2 4.34Å; F129-W331 HydrophobicContact CE2-CH2 4.49Å; F129-W331 AromaticContact CG-CH2 3.65Å; F129-W331 HydrophobicContact CG-CH2 3.65Å; F129-W331 AromaticContact CG-CZ2 3.52Å; F129-W331 HydrophobicContact CG-CZ2 3.52Å
130	S	90.9	Very high	89.5	Confident	36 Å²	36	46.5 Å²	46.5	25%	0.252	25%	0.251	S	S	.	.	H	α-helix	trans	-59.7	-38.9	169.8	-55.3	0	0	0	0	111.4	E127 I132 Q133 E134	E127-S130 PolarHBondContact O-N 3.04Å; S130-I132 VanDerWaalsContact C-N 3.32Å; S130-I132 PolarHBondContact O-N 3.15Å; S130-Q133 PolarHBondContact O-N 2.92Å; S130-E134 WeakPolarHBondContact O-CB 3.49Å; S130-E134 WeakPolarHBondContact O-CG 3.4Å; S130-E134 PolarHBondContact O-N 3.1Å
131	R	91.1	Very high	89.5	Confident	54 Å²	54	47.2 Å²	47.2	20%	0.204	26%	0.255	C	S	.	.	H	α-helix	trans	-71.2	-22.5	176.9	-77.8	-79.5	-80.8	172.4	-5.5	114.2	G125 E127 L128 F129 Y176 K179 E180	G125-R131 WeakPolarHBondContact O-CD 3.44Å; G125-R131 WeakPolarHBondContact O-CG 3.43Å; E127-R131 PolarHBondContact O-N 3.46Å; L128-R131 PolarHBondContact O-N 3.13Å; F129-R131 VanDerWaalsContact C-N 3.26Å; F129-R131 PolarHBondContact O-N 3.3Å; R131-Y176 HydrophobicContact CB-CD2 3.87Å; R131-Y176 HydrophobicContact CB-CE2 3.81Å; R131-Y176 HydrophobicContact CG-CD2 3.77Å; R131-Y176 HydrophobicContact CG-CE2 4.25Å; R131-K179 PolarHBondContact NH1-O 2.65Å; R131-K179 VanDerWaalsContact NH2-C 3.25Å; R131-K179 PolarHBondContact NH2-O 3.27Å; R131-E180 PolarHBondContact NH2-O 2.78Å; R131-E180 VanDerWaalsContact NH2-O 3.1Å
132	I	91.6	Very high	89.5	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-78.7	-42.1	169.5	-64.5	167.6	0	0	0	110	L128 F129 S130 E134 R135 F140 L238 T320 A321 L324	L128-I132 HydrophobicContact CD1-CD1 4.23Å; L128-I132 HydrophobicContact CG-CD1 4.5Å; L128-I132 PolarHBondContact O-N 3.23Å; F129-I132 HydrophobicContact CD1-CD1 4.49Å; F129-I132 PolarHBondContact O-N 3.11Å; F129-I132 VanDerWaalsContact O-N 3.16Å; S130-I132 VanDerWaalsContact C-N 3.32Å; S130-I132 PolarHBondContact O-N 3.15Å; I132-E134 VanDerWaalsContact C-N 3.35Å; I132-E134 PolarHBondContact O-N 2.76Å; I132-R135 WeakPolarHBondContact O-CB 3.28Å; I132-R135 WeakPolarHBondContact O-CG 3.41Å; I132-R135 PolarHBondContact O-N 2.97Å; I132-F140 HydrophobicContact CD1-CE1 4.1Å; I132-F140 HydrophobicContact CD1-CE2 4.01Å; I132-F140 HydrophobicContact CD1-CZ 3.76Å; I132-F140 HydrophobicContact CG1-CD2 4.29Å; I132-F140 HydrophobicContact CG1-CE2 4.1Å; I132-F140 HydrophobicContact CG1-CZ 4.35Å; I132-F140 HydrophobicContact CG2-CB 4.29Å; I132-F140 HydrophobicContact CG2-CD1 4.19Å; I132-F140 HydrophobicContact CG2-CD2 4.35Å; I132-F140 HydrophobicContact CG2-CG 4.01Å; I132-L238 HydrophobicContact CD1-CD2 3.36Å; I132-T320 HydrophobicContact CG2-CG2 4.07Å; I132-A321 HydrophobicContact CG2-CB 4.12Å; I132-L324 HydrophobicContact CB-CD1 4.33Å; I132-L324 HydrophobicContact CG2-CD1 4.04Å
133	Q	88.3	Confident	89.6	Confident	35 Å²	35	48.3 Å²	48.3	16%	0.164	26%	0.256	C	S	.	.	H	α-helix	trans	-63.8	-34.9	176.5	-168.7	-172	41.3	0	0	112.9	F129 S130 R135 L324 Q325 K328	F129-Q133 WeakPolarHBondContact O-CB 3.43Å; F129-Q133 PolarHBondContact O-N 3.41Å; S130-Q133 PolarHBondContact O-N 2.92Å; Q133-R135 PolarHBondContact O-N 3.03Å; Q133-L324 HydrophobicContact CB-CB 4.33Å; Q133-L324 HydrophobicContact CG-CB 4.36Å; Q133-L324 PolarHBondContact NE2-O 3.23Å; Q133-Q325 HydrophobicContact CG-CB 4.42Å; Q133-K328 VanDerWaalsContact NE2-CG 3.33Å
134	E	86.6	Confident	89.6	Confident	114 Å²	114	48.8 Å²	48.8	53%	0.533	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-6.2	177.1	-79	-178.4	176.6	0	0	114.1	S130 I132 G136 K179	S130-E134 WeakPolarHBondContact O-CB 3.49Å; S130-E134 WeakPolarHBondContact O-CG 3.4Å; S130-E134 PolarHBondContact O-N 3.1Å; I132-E134 VanDerWaalsContact C-N 3.35Å; I132-E134 PolarHBondContact O-N 2.76Å; E134-G136 VanDerWaalsContact C-N 3.34Å; E134-G136 PolarHBondContact O-N 2.92Å; E134-K179 IonicContact OE1-NZ 3.46Å; E134-K179 IonicContact OE2-NZ 3.25Å
135	R	80.1	Confident	89.7	Confident	68 Å²	68	44 Å²	44	26%	0.257	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-17.5	-176.1	-71.8	176.8	167.4	-131.7	4	115.2	I132 Q133 D137 Q138 E144	I132-R135 WeakPolarHBondContact O-CB 3.28Å; I132-R135 WeakPolarHBondContact O-CG 3.41Å; I132-R135 PolarHBondContact O-N 2.97Å; Q133-R135 PolarHBondContact O-N 3.03Å; R135-D137 PolarHBondContact O-N 3.48Å; R135-Q138 HydrophobicContact CB-CB 4.37Å; R135-Q138 PolarHBondContact O-N 3.48Å; R135-E144 IonicContact CZ-OE1 3.84Å; R135-E144 IonicContact NH1-OE1 3.7Å; R135-E144 PolarHBondContact NH1-OE1 2.9Å; R135-E144 IonicContact NH1-OE2 2.96Å; R135-E144 IonicContact NH2-OE1 2.66Å; R135-E144 PolarHBondContact NH2-OE1 3.29Å
136	G	72.3	Confident	89.9	Confident	34 Å²	34	44 Å²	44	35%	0.351	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	-129.2	-174.1	0	0	0	0	0	111.6	E134 Q138	E134-G136 VanDerWaalsContact C-N 3.34Å; E134-G136 PolarHBondContact O-N 2.92Å; G136-Q138 PolarHBondContact O-N 2.94Å
137	D	70.6	Confident	90.1	Very high	177 Å²	177	45.4 Å²	45.4	95%	0.947	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-5.1	-177.6	-55.4	-46.1	0	0	0	114.4	R135 A139	R135-D137 PolarHBondContact O-N 3.48Å; D137-A139 PolarHBondContact O-N 2.88Å
138	Q	81.3	Confident	90.3	Very high	126 Å²	126	43.6 Å²	43.6	59%	0.589	23%	0.225	S	C	*	.	S	Bend	trans	-72.6	113.8	175.8	-176.1	-178.9	-16.4	0	0	110.2	R135 G136 F140	R135-Q138 HydrophobicContact CB-CB 4.37Å; R135-Q138 PolarHBondContact O-N 3.48Å; G136-Q138 PolarHBondContact O-N 2.94Å; Q138-F140 PolarHBondContact O-N 2.83Å
139	A	84.9	Confident	90.4	Very high	51 Å²	51	43.6 Å²	43.6	42%	0.421	23%	0.225	S	C	.	.			trans	-50.6	133.4	176.5	0	0	0	0	0	112.2	D137 P317	D137-A139 PolarHBondContact O-N 2.88Å; A139-P317 HydrophobicContact CB-CB 4.27Å
140	F	94.5	Very high	90.7	Very high	1 Å²	1	48.9 Å²	48.9	0%	0.004	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	134.5	163.8	-178.9	-112.1	0	0	0	108	I132 Q138 E144 A145 I148 L238 L318 T320 A321	I132-F140 HydrophobicContact CD1-CE1 4.1Å; I132-F140 HydrophobicContact CD1-CE2 4.01Å; I132-F140 HydrophobicContact CD1-CZ 3.76Å; I132-F140 HydrophobicContact CG1-CD2 4.29Å; I132-F140 HydrophobicContact CG1-CE2 4.1Å; I132-F140 HydrophobicContact CG1-CZ 4.35Å; I132-F140 HydrophobicContact CG2-CB 4.29Å; I132-F140 HydrophobicContact CG2-CD1 4.19Å; I132-F140 HydrophobicContact CG2-CD2 4.35Å; I132-F140 HydrophobicContact CG2-CG 4.01Å; Q138-F140 PolarHBondContact O-N 2.83Å; F140-E144 HydrophobicContact CD2-CB 4.05Å; F140-E144 HydrophobicContact CE2-CB 3.62Å; F140-E144 HydrophobicContact CZ-CB 4.29Å; F140-A145 HydrophobicContact CE1-CB 3.94Å; F140-A145 HydrophobicContact CZ-CB 3.95Å; F140-I148 HydrophobicContact CE2-CD1 3.66Å; F140-I148 HydrophobicContact CZ-CD1 3.73Å; F140-L238 HydrophobicContact CE1-CD2 4.29Å; F140-L238 WeakPolarHBondContact CE1-O 3.42Å; F140-L238 HydrophobicContact CZ-CD2 4.1Å; F140-L318 HydrophobicContact CD1-CB 4.45Å; F140-L318 HydrophobicContact CD1-CD1 3.76Å; F140-L318 HydrophobicContact CE1-CD1 3.88Å; F140-L318 WeakPolarHBondContact O-CB 3.45Å; F140-L318 PolarHBondContact O-N 3Å; F140-T320 HydrophobicContact CD1-CG2 4.08Å; F140-T320 HydrophobicContact CE1-CG2 4.31Å; F140-A321 HydrophobicContact CB-CB 4.45Å
141	T	96.3	Very high	91	Very high	22 Å²	22	49.1 Å²	49.1	14%	0.135	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	158	-168.3	60.8	0	0	0	0	114.1	R143 E144 A145 P315 T316 L318	T141-R143 PolarHBondContact O-N 2.86Å; T141-E144 PolarHBondContact N-OE2 3.25Å; T141-E144 PolarHBondContact O-N 2.86Å; T141-E144 VanDerWaalsContact O-N 3.07Å; T141-E144 WeakPolarHBondContact OG1-CG 3.45Å; T141-E144 PolarHBondContact OG1-N 2.77Å; T141-E144 PolarHBondContact OG1-OE2 3.47Å; T141-A145 PolarHBondContact O-N 3.35Å; T141-P315 WeakPolarHBondContact CG2-O 3.22Å; T141-T316 CarbonylContact C-O 3.13Å; T141-T316 VanDerWaalsContact CA-O 3.23Å; T141-T316 WeakPolarHBondContact CA-O 3.32Å; T141-L318 VanDerWaalsContact C-CD1 3.5Å
142	E	97.4	Very high	91.4	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-57.5	-35.1	176.6	-163.8	-174.3	132.9	0	0	112.3	A145 S146 L239 S277 W306 V313 T316 L318	E142-A145 PolarHBondContact O-N 3.29Å; E142-S146 PolarHBondContact O-N 3.16Å; E142-L239 HydrophobicContact CG-CD2 3.81Å; E142-S277 VanDerWaalsContact OE1-CB 3.26Å; E142-S277 WeakPolarHBondContact OE1-CB 3.38Å; E142-S277 PolarHBondContact OE1-OG 3.04Å; E142-S277 PolarHBondContact OE2-N 3.26Å; E142-W306 HydrophobicContact CG-CZ2 4Å; E142-W306 PolarHBondContact OE1-NE1 3.09Å; E142-V313 HydrophobicContact CB-CG1 4.18Å; E142-V313 HydrophobicContact CG-CG1 3.87Å; E142-T316 PolarHBondContact N-O 3.44Å; E142-L318 HydrophobicContact CB-CD2 4.2Å
143	R	97.2	Very high	91.7	Very high	77 Å²	77	46.6 Å²	46.6	29%	0.291	23%	0.234	S	C	.	.	H	α-helix	trans	-60.4	-48.5	172	-178.8	177	-59.4	167	1.1	112.9	T141 A145 S146 E147 M311 V313 P314	T141-R143 PolarHBondContact O-N 2.86Å; R143-A145 VanDerWaalsContact C-N 3.3Å; R143-A145 PolarHBondContact O-N 2.99Å; R143-S146 WeakPolarHBondContact O-CB 3.48Å; R143-S146 PolarHBondContact O-N 2.86Å; R143-S146 VanDerWaalsContact O-N 3.14Å; R143-E147 WeakPolarHBondContact CG-OE1 3.47Å; R143-E147 WeakPolarHBondContact O-CG 3.49Å; R143-E147 PolarHBondContact O-N 2.8Å; R143-M311 PolarHBondContact NE-O 3.1Å; R143-V313 HydrophobicContact CB-CB 4.48Å; R143-V313 PolarHBondContact NE-O 2.75Å; R143-V313 PolarHBondContact NH2-O 2.91Å; R143-P314 PolarHBondContact N-O 3.09Å
144	E	95.7	Very high	92.2	Very high	40 Å²	40	46.8 Å²	46.8	19%	0.187	24%	0.237	C	C	.	.	H	α-helix	trans	-64.5	-37.6	178.5	-69.4	168.8	103.2	0	0	111.4	R135 F140 T141 S146 E147 I148	R135-E144 IonicContact CZ-OE1 3.84Å; R135-E144 IonicContact NH1-OE1 3.7Å; R135-E144 PolarHBondContact NH1-OE1 2.9Å; R135-E144 IonicContact NH1-OE2 2.96Å; R135-E144 IonicContact NH2-OE1 2.66Å; R135-E144 PolarHBondContact NH2-OE1 3.29Å; F140-E144 HydrophobicContact CD2-CB 4.05Å; F140-E144 HydrophobicContact CE2-CB 3.62Å; F140-E144 HydrophobicContact CZ-CB 4.29Å; T141-E144 PolarHBondContact N-OE2 3.25Å; T141-E144 PolarHBondContact O-N 2.86Å; T141-E144 VanDerWaalsContact O-N 3.07Å; T141-E144 WeakPolarHBondContact OG1-CG 3.45Å; T141-E144 PolarHBondContact OG1-N 2.77Å; T141-E144 PolarHBondContact OG1-OE2 3.47Å; E144-S146 VanDerWaalsContact C-N 3.31Å; E144-S146 PolarHBondContact O-N 3.4Å; E144-E147 PolarHBondContact O-N 3.43Å; E144-I148 WeakPolarHBondContact O-CB 3.4Å; E144-I148 WeakPolarHBondContact O-CD1 3.47Å; E144-I148 WeakPolarHBondContact O-CG1 3.48Å; E144-I148 PolarHBondContact O-N 3.22Å
145	A	97.4	Very high	92.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.8	-40.4	172.5	0	0	0	0	0	112	F140 T141 E142 R143 M149 L238 L239 W306 L318	F140-A145 HydrophobicContact CE1-CB 3.94Å; F140-A145 HydrophobicContact CZ-CB 3.95Å; T141-A145 PolarHBondContact O-N 3.35Å; E142-A145 PolarHBondContact O-N 3.29Å; R143-A145 VanDerWaalsContact C-N 3.3Å; R143-A145 PolarHBondContact O-N 2.99Å; A145-M149 WeakPolarHBondContact O-CB 3.38Å; A145-M149 VanDerWaalsContact O-CG 3.26Å; A145-M149 WeakPolarHBondContact O-CG 3.2Å; A145-M149 PolarHBondContact O-N 2.94Å; A145-L238 HydrophobicContact CB-CB 4.13Å; A145-L239 HydrophobicContact CB-CD2 3.96Å; A145-W306 HydrophobicContact CB-CH2 4.24Å; A145-W306 HydrophobicContact CB-CZ2 4.4Å; A145-L318 HydrophobicContact CB-CD1 4.17Å
146	S	98.3	Very high	93.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64.4	-44.6	174.3	167.1	0	0	0	0	112.7	E142 R143 E144 M149 R150 W306 S310	E142-S146 PolarHBondContact O-N 3.16Å; R143-S146 WeakPolarHBondContact O-CB 3.48Å; R143-S146 PolarHBondContact O-N 2.86Å; R143-S146 VanDerWaalsContact O-N 3.14Å; E144-S146 VanDerWaalsContact C-N 3.31Å; E144-S146 PolarHBondContact O-N 3.4Å; S146-M149 PolarHBondContact O-N 2.83Å; S146-R150 WeakPolarHBondContact O-CB 3.38Å; S146-R150 PolarHBondContact O-N 3.41Å; S146-W306 VanDerWaalsContact CA-CH2 3.44Å; S146-W306 WeakPolarHBondContact CB-O 3.47Å; S146-W306 PolarHBondContact OG-O 2.9Å; S146-S310 VanDerWaalsContact OG-CA 3.25Å; S146-S310 WeakPolarHBondContact OG-CA 3.38Å; S146-S310 WeakPolarHBondContact OG-CB 3.49Å
147	E	96.8	Very high	94.8	Very high	63 Å²	63	40.1 Å²	40.1	29%	0.294	20%	0.2	S	C	.	.	H	α-helix	trans	-61.7	-48.1	177.1	-71	166.7	-177	0	0	111.3	R143 E144 M149 R150 D151	R143-E147 WeakPolarHBondContact CG-OE1 3.47Å; R143-E147 WeakPolarHBondContact O-CG 3.49Å; R143-E147 PolarHBondContact O-N 2.8Å; E144-E147 PolarHBondContact O-N 3.43Å; E147-M149 VanDerWaalsContact C-N 3.33Å; E147-M149 PolarHBondContact O-N 3.01Å; E147-R150 WeakPolarHBondContact O-CB 3.34Å; E147-R150 PolarHBondContact O-N 3.12Å; E147-R150 VanDerWaalsContact O-N 3.15Å; E147-D151 PolarHBondContact O-N 3.31Å
148	I	97.3	Very high	96.1	Very high	13 Å²	13	35 Å²	35	7%	0.067	17%	0.168	C	C	.	.	H	α-helix	trans	-56.1	-46	172.9	-74.8	160.4	0	0	0	111.3	L128 F140 E144 R150 D151 I152 L185 L238	L128-I148 HydrophobicContact CD1-CD1 4.07Å; L128-I148 HydrophobicContact CD1-CG1 4.37Å; L128-I148 HydrophobicContact CD1-CG2 3.89Å; L128-I148 HydrophobicContact CD2-CG2 3.88Å; F140-I148 HydrophobicContact CE2-CD1 3.66Å; F140-I148 HydrophobicContact CZ-CD1 3.73Å; E144-I148 WeakPolarHBondContact O-CB 3.4Å; E144-I148 WeakPolarHBondContact O-CD1 3.47Å; E144-I148 WeakPolarHBondContact O-CG1 3.48Å; E144-I148 PolarHBondContact O-N 3.22Å; I148-R150 VanDerWaalsContact C-N 3.3Å; I148-R150 PolarHBondContact O-N 3.05Å; I148-D151 PolarHBondContact O-N 3.22Å; I148-I152 HydrophobicContact CG2-CD1 3.84Å; I148-I152 VanDerWaalsContact O-CG1 3.29Å; I148-I152 WeakPolarHBondContact O-CG1 3.4Å; I148-I152 PolarHBondContact O-N 2.87Å; I148-I152 VanDerWaalsContact O-N 3.07Å; I148-L185 HydrophobicContact CG2-CD2 3.95Å; I148-L238 HydrophobicContact CB-CD1 4.43Å; I148-L238 HydrophobicContact CG2-CD1 3.66Å; I148-L238 HydrophobicContact CG2-CD2 4.43Å
149	M	98.4	Very high	96.8	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-68.8	-27.8	-179.9	-76.3	-53.9	-47.2	0	0	113.2	A145 S146 E147 I152 G153 L231 I234 T235 L238 F301 W306 I307	A145-M149 WeakPolarHBondContact O-CB 3.38Å; A145-M149 VanDerWaalsContact O-CG 3.26Å; A145-M149 WeakPolarHBondContact O-CG 3.2Å; A145-M149 PolarHBondContact O-N 2.94Å; S146-M149 PolarHBondContact O-N 2.83Å; E147-M149 VanDerWaalsContact C-N 3.33Å; E147-M149 PolarHBondContact O-N 3.01Å; M149-I152 HydrophobicContact SD-CD1 3.96Å; M149-G153 PolarHBondContact O-N 2.92Å; M149-L231 HydrophobicContact CE-CB 3.88Å; M149-L231 HydrophobicContact CE-CD2 3.68Å; M149-L231 HydrophobicContact CE-CG 4.31Å; M149-I234 HydrophobicContact SD-CB 4.35Å; M149-I234 HydrophobicContact SD-CG2 3.78Å; M149-T235 VanDerWaalsContact CE-OG1 3.24Å; M149-T235 WeakPolarHBondContact CE-OG1 3.26Å; M149-T235 HydrophobicContact CG-CG2 4.39Å; M149-T235 PolarHBondContact SD-OG1 3.01Å; M149-L238 HydrophobicContact CG-CD1 3.77Å; M149-L238 HydrophobicContact SD-CD1 3.65Å; M149-F301 HydrophobicContact CB-CZ 4.24Å; M149-F301 HydrophobicContact CE-CE2 4.12Å; M149-F301 HydrophobicContact CE-CZ 3.72Å; M149-F301 WeakPolarHBondContact O-CE1 3.27Å; M149-W306 HydrophobicContact CB-CZ3 3.95Å; M149-W306 HydrophobicContact CG-CH2 4.34Å; M149-W306 HydrophobicContact CG-CZ3 4.08Å; M149-I307 HydrophobicContact CB-CD1 3.72Å
150	R	97.9	Very high	97.3	Very high	113 Å²	113	27.2 Å²	27.2	43%	0.426	12%	0.122	S	C	.	.	H	α-helix	trans	-70.4	-39.8	172.1	179.7	176.5	170.6	-102.6	-1.1	112	S146 E147 I148 G153 T154 M302 I307	S146-R150 WeakPolarHBondContact O-CB 3.38Å; S146-R150 PolarHBondContact O-N 3.41Å; E147-R150 WeakPolarHBondContact O-CB 3.34Å; E147-R150 PolarHBondContact O-N 3.12Å; E147-R150 VanDerWaalsContact O-N 3.15Å; I148-R150 VanDerWaalsContact C-N 3.3Å; I148-R150 PolarHBondContact O-N 3.05Å; R150-G153 PolarHBondContact O-N 3.5Å; R150-T154 WeakPolarHBondContact O-CB 2.95Å; R150-T154 PolarHBondContact O-N 3.06Å; R150-T154 PolarHBondContact O-OG1 2.76Å; R150-M302 HydrophobicContact CG-CE 4.45Å; R150-I307 HydrophobicContact CB-CG2 4.05Å; R150-I307 HydrophobicContact CG-CG2 4.23Å
151	D	97.4	Very high	97.2	Very high	40 Å²	40	31.3 Å²	31.3	21%	0.214	15%	0.151	C	C	.	.	H	α-helix	trans	-63.5	-50.1	175.4	-78.5	12.3	0	0	0	111.2	H98 E147 I148 G153 T154 A155	H98-D151 IonicContact CE1-OD1 2.89Å; H98-D151 PolarHBondContact CE1-OD1 3.41Å; H98-D151 IonicContact CE1-OD2 3.51Å; H98-D151 PolarHBondContact CE1-OD2 2.91Å; H98-D151 VanDerWaalsContact CE1-OD2 3.26Å; H98-D151 IonicContact ND1-OD2 2.75Å; H98-D151 IonicContact NE2-OD1 3.81Å; E147-D151 PolarHBondContact O-N 3.31Å; I148-D151 PolarHBondContact O-N 3.22Å; D151-G153 VanDerWaalsContact C-N 3.33Å; D151-G153 PolarHBondContact O-N 3.27Å; D151-T154 WeakPolarHBondContact O-CB 3.32Å; D151-T154 PolarHBondContact O-N 2.76Å; D151-T154 VanDerWaalsContact O-N 3.16Å; D151-A155 PolarHBondContact O-N 3.42Å
152	I	98.4	Very high	97.1	Very high	4 Å²	4	32 Å²	32	2%	0.021	15%	0.153	C	C	.	.	H	α-helix	trans	-61	-44.5	175.3	-55.3	161.5	0	0	0	110	L128 I148 M149 T154 A155 I156 V169 L174 L185 L231 I234	L128-I152 HydrophobicContact CD2-CD1 4.19Å; I148-I152 HydrophobicContact CG2-CD1 3.84Å; I148-I152 VanDerWaalsContact O-CG1 3.29Å; I148-I152 WeakPolarHBondContact O-CG1 3.4Å; I148-I152 PolarHBondContact O-N 2.87Å; I148-I152 VanDerWaalsContact O-N 3.07Å; M149-I152 HydrophobicContact SD-CD1 3.96Å; I152-T154 VanDerWaalsContact C-N 3.25Å; I152-T154 PolarHBondContact O-N 2.66Å; I152-A155 WeakPolarHBondContact O-CB 3.4Å; I152-A155 PolarHBondContact O-N 3.01Å; I152-A155 VanDerWaalsContact O-N 3.12Å; I152-I156 HydrophobicContact CG2-CG1 4.48Å; I152-I156 WeakPolarHBondContact O-CG1 3.08Å; I152-I156 PolarHBondContact O-N 3.33Å; I152-V169 HydrophobicContact CG2-CG1 4.44Å; I152-L174 HydrophobicContact CD1-CD1 3.68Å; I152-L174 HydrophobicContact CG1-CD1 4.14Å; I152-L174 HydrophobicContact CG1-CD2 4.06Å; I152-L174 HydrophobicContact CG2-CD2 4.19Å; I152-L185 HydrophobicContact CD1-CD2 4.04Å; I152-L185 HydrophobicContact CG1-CD2 3.69Å; I152-L231 HydrophobicContact CB-CD2 4.25Å; I152-L231 HydrophobicContact CG2-CD2 3.47Å; I152-L231 VanDerWaalsContact CG2-CD2 3.47Å; I152-I234 HydrophobicContact CD1-CG2 4.14Å
153	G	98.2	Very high	96.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-57.8	-35.4	176.3	0	0	0	0	0	113.8	M149 R150 D151 I156 Q157 M302	M149-G153 PolarHBondContact O-N 2.92Å; R150-G153 PolarHBondContact O-N 3.5Å; D151-G153 VanDerWaalsContact C-N 3.33Å; D151-G153 PolarHBondContact O-N 3.27Å; G153-I156 PolarHBondContact O-N 3.37Å; G153-Q157 VanDerWaalsContact O-CB 3.28Å; G153-Q157 WeakPolarHBondContact O-CB 3.01Å; G153-Q157 PolarHBondContact O-N 3.07Å; G153-M302 VanDerWaalsContact C-SD 3.51Å
154	T	98.3	Very high	96.6	Very high	39 Å²	39	30.9 Å²	30.9	24%	0.239	15%	0.153	C	C	.	.	H	α-helix	trans	-66.3	-41.8	175.8	-58.3	0	0	0	0	111.2	R150 D151 I152 Q157 Y158 M302	R150-T154 WeakPolarHBondContact O-CB 2.95Å; R150-T154 PolarHBondContact O-N 3.06Å; R150-T154 PolarHBondContact O-OG1 2.76Å; D151-T154 WeakPolarHBondContact O-CB 3.32Å; D151-T154 PolarHBondContact O-N 2.76Å; D151-T154 VanDerWaalsContact O-N 3.16Å; I152-T154 VanDerWaalsContact C-N 3.25Å; I152-T154 PolarHBondContact O-N 2.66Å; T154-Q157 PolarHBondContact O-N 2.65Å; T154-Y158 WeakPolarHBondContact O-CB 3.49Å; T154-Y158 PolarHBondContact O-N 3.2Å; T154-M302 WeakPolarHBondContact OG1-CE 3.48Å
155	A	98.3	Very high	96.5	Very high	1 Å²	1	29 Å²	29	1%	0.008	14%	0.144	C	C	.	.	H	α-helix	trans	-60.6	-47.9	172.9	0	0	0	0	0	112	H98 I99 D151 I152 Y158 L159 L187	H98-A155 HydrophobicContact CB-CB 3.9Å; H98-A155 WeakPolarHBondContact O-CB 2.98Å; I99-A155 HydrophobicContact CD1-CB 4.36Å; I99-A155 HydrophobicContact CG1-CB 3.89Å; D151-A155 PolarHBondContact O-N 3.42Å; I152-A155 WeakPolarHBondContact O-CB 3.4Å; I152-A155 PolarHBondContact O-N 3.01Å; I152-A155 VanDerWaalsContact O-N 3.12Å; A155-Y158 PolarHBondContact O-N 2.96Å; A155-L159 WeakPolarHBondContact O-CG 3.35Å; A155-L159 PolarHBondContact O-N 2.99Å; A155-L159 VanDerWaalsContact O-N 3.09Å; A155-L187 HydrophobicContact CB-CB 4.3Å; A155-L187 HydrophobicContact CB-CD2 4.38Å
156	I	98.3	Very high	96.3	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-66.2	-39.2	179.8	-57.1	-49.2	0	0	0	111.5	I152 G153 Y158 L159 H160 V169 L187 D227 M228 L231 V298	I152-I156 HydrophobicContact CG2-CG1 4.48Å; I152-I156 WeakPolarHBondContact O-CG1 3.08Å; I152-I156 PolarHBondContact O-N 3.33Å; G153-I156 PolarHBondContact O-N 3.37Å; I156-Y158 VanDerWaalsContact C-N 3.34Å; I156-Y158 PolarHBondContact O-N 3.34Å; I156-L159 PolarHBondContact O-N 2.88Å; I156-H160 WeakPolarHBondContact CG2-NE2 3.23Å; I156-H160 WeakPolarHBondContact O-CB 3.18Å; I156-H160 PolarHBondContact O-CD2 3.39Å; I156-H160 PolarHBondContact O-N 3.22Å; I156-V169 HydrophobicContact CD1-CG1 4.49Å; I156-V169 HydrophobicContact CD1-CG2 3.57Å; I156-L187 HydrophobicContact CD1-CD2 3.81Å; I156-D227 HydrophobicContact CD1-CB 4.46Å; I156-D227 HydrophobicContact CG2-CB 3.94Å; I156-M228 HydrophobicContact CG2-SD 4.39Å; I156-L231 HydrophobicContact CG1-CD1 4.43Å; I156-L231 HydrophobicContact CG1-CD2 4.18Å; I156-V298 HydrophobicContact CB-CG2 4.24Å; I156-V298 HydrophobicContact CG2-CB 4.43Å; I156-V298 HydrophobicContact CG2-CG2 4Å
157	Q	97.8	Very high	96	Very high	75 Å²	75	30.2 Å²	30.2	35%	0.35	15%	0.149	S	C	.	.	H	α-helix	trans	-62.3	-43.2	176.6	-175	177.5	67.3	0	0	111.1	G153 T154 H160 S161 V298 M302	G153-Q157 VanDerWaalsContact O-CB 3.28Å; G153-Q157 WeakPolarHBondContact O-CB 3.01Å; G153-Q157 PolarHBondContact O-N 3.07Å; T154-Q157 PolarHBondContact O-N 2.65Å; Q157-H160 PolarHBondContact O-N 3.46Å; Q157-S161 WeakPolarHBondContact O-CB 3.48Å; Q157-S161 PolarHBondContact O-N 2.8Å; Q157-V298 HydrophobicContact CB-CG1 4.49Å; Q157-V298 HydrophobicContact CB-CG2 3.83Å; Q157-M302 HydrophobicContact CB-CG 4.34Å
158	Y	97.6	Very high	95.8	Very high	69 Å²	69	27.2 Å²	27.2	27%	0.271	14%	0.135	S	C	.	.	H	α-helix	trans	-59.8	-51.2	177	-170.3	-96.9	0	0	0	111	C96 I99 T154 A155 I156 H160 S161 M162	C96-Y158 HydrophobicContact CB-CD1 3.52Å; C96-Y158 HydrophobicContact CB-CD2 4.18Å; C96-Y158 HydrophobicContact CB-CE1 3.88Å; C96-Y158 HydrophobicContact CB-CE2 4.5Å; C96-Y158 HydrophobicContact CB-CG 3.69Å; I99-Y158 HydrophobicContact CD1-CD1 4.24Å; T154-Y158 WeakPolarHBondContact O-CB 3.49Å; T154-Y158 PolarHBondContact O-N 3.2Å; A155-Y158 PolarHBondContact O-N 2.96Å; I156-Y158 VanDerWaalsContact C-N 3.34Å; I156-Y158 PolarHBondContact O-N 3.34Å; Y158-H160 PolarHBondContact O-N 3.34Å; Y158-S161 PolarHBondContact O-N 3.25Å; Y158-S161 PolarHBondContact O-OG 2.98Å; Y158-M162 HydrophobicContact CD1-CE 3.41Å; Y158-M162 VanDerWaalsContact CD1-CE 3.41Å; Y158-M162 HydrophobicContact CD1-SD 4.42Å; Y158-M162 HydrophobicContact CE1-CE 3.3Å; Y158-M162 HydrophobicContact CE1-SD 3.84Å; Y158-M162 HydrophobicContact CG-CE 4.44Å; Y158-M162 PolarHBondContact O-N 3.45Å
159	L	96.5	Very high	95.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58.4	-49.3	176.6	-67.1	179.4	0	0	0	112.4	A93 I99 A155 I156 S161 M162 N163 I164 H166 L187 F190	A93-L159 HydrophobicContact CB-CD2 3.57Å; I99-L159 HydrophobicContact CD1-CD1 4.29Å; I99-L159 HydrophobicContact CD1-CD2 3.81Å; I99-L159 HydrophobicContact CD1-CG 3.83Å; A155-L159 WeakPolarHBondContact O-CG 3.35Å; A155-L159 PolarHBondContact O-N 2.99Å; A155-L159 VanDerWaalsContact O-N 3.09Å; I156-L159 PolarHBondContact O-N 2.88Å; L159-S161 PolarHBondContact O-N 3.02Å; L159-M162 HydrophobicContact CD2-CE 4.11Å; L159-M162 CarbonylContact O-C 3.57Å; L159-M162 PolarHBondContact O-N 2.83Å; L159-M162 VanDerWaalsContact O-N 3.09Å; L159-N163 PolarHBondContact O-N 2.88Å; L159-I164 CarbonylContact C-O 3.6Å; L159-I164 HydrophobicContact CB-CB 4.39Å; L159-I164 WeakPolarHBondContact CB-O 3.44Å; L159-I164 HydrophobicContact CD2-CB 4.37Å; L159-I164 HydrophobicContact CD2-CG2 4.19Å; L159-I164 PolarHBondContact O-N 3.39Å; L159-I164 VanDerWaalsContact O-O 3.09Å; L159-H166 HydrophobicContact CD1-CB 3.89Å; L159-L187 HydrophobicContact CD1-CD2 4.01Å; L159-F190 HydrophobicContact CD1-CE1 4.35Å; L159-F190 HydrophobicContact CD1-CZ 4.31Å; L159-F190 HydrophobicContact CD2-CE1 3.68Å; L159-F190 HydrophobicContact CD2-CZ 3.95Å
160	H	94.8	Very high	95.2	Very high	13 Å²	13	27.1 Å²	27.1	6%	0.06	13%	0.134	C	C	.	.	H	α-helix	trans	-65.4	-27.7	-177.3	-76.6	-159.7	0	0	0	112.7	I156 Q157 Y158 N163 I164 K224 D227 V298	I156-H160 WeakPolarHBondContact CG2-NE2 3.23Å; I156-H160 WeakPolarHBondContact O-CB 3.18Å; I156-H160 PolarHBondContact O-CD2 3.39Å; I156-H160 PolarHBondContact O-N 3.22Å; Q157-H160 PolarHBondContact O-N 3.46Å; Y158-H160 PolarHBondContact O-N 3.34Å; H160-N163 PolarHBondContact O-N 3.3Å; H160-I164 PolarHBondContact CD2-O 3.34Å; H160-I164 PolarHBondContact N-O 2.86Å; H160-K224 HydrophobicContact CB-CD 4.22Å; H160-K224 PolarHBondContact CE1-O 3.28Å; H160-K224 PolarHBondContact O-NZ 2.84Å; H160-D227 IonicContact CD2-OD2 3.72Å; H160-D227 IonicContact CE1-OD2 3.55Å; H160-D227 IonicContact NE2-OD2 2.68Å; H160-D227 PolarHBondContact NE2-OD2 3.04Å; H160-V298 HydrophobicContact CB-CG1 3.87Å
161	S	93.8	Very high	94.7	Very high	87 Å²	87	21.7 Å²	21.7	61%	0.608	11%	0.114	S	C	*	.	H	α-helix	trans	-70.8	-30.9	174.9	76.5	0	0	0	0	113	Q157 Y158 L159 N163	Q157-S161 WeakPolarHBondContact O-CB 3.48Å; Q157-S161 PolarHBondContact O-N 2.8Å; Y158-S161 PolarHBondContact O-N 3.25Å; Y158-S161 PolarHBondContact O-OG 2.98Å; L159-S161 PolarHBondContact O-N 3.02Å; S161-N163 PolarHBondContact O-N 3.06Å
162	M	92.9	Very high	94.3	Very high	36 Å²	36	21.9 Å²	21.9	18%	0.177	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	9	170.8	-62	-177.6	-65.8	0	0	113.3	R92 A93 Y158 L159 I164	R92-M162 HydrophobicContact CB-SD 4.41Å; A93-M162 HydrophobicContact CB-CE 4.43Å; Y158-M162 HydrophobicContact CD1-CE 3.41Å; Y158-M162 VanDerWaalsContact CD1-CE 3.41Å; Y158-M162 HydrophobicContact CD1-SD 4.42Å; Y158-M162 HydrophobicContact CE1-CE 3.3Å; Y158-M162 HydrophobicContact CE1-SD 3.84Å; Y158-M162 HydrophobicContact CG-CE 4.44Å; Y158-M162 PolarHBondContact O-N 3.45Å; L159-M162 HydrophobicContact CD2-CE 4.11Å; L159-M162 CarbonylContact O-C 3.57Å; L159-M162 PolarHBondContact O-N 2.83Å; L159-M162 VanDerWaalsContact O-N 3.09Å; M162-I164 VanDerWaalsContact C-N 3.25Å; M162-I164 HydrophobicContact CB-CD1 4.33Å; M162-I164 HydrophobicContact CB-CG1 4.36Å; M162-I164 HydrophobicContact CE-CD1 4.26Å; M162-I164 PolarHBondContact O-N 3.49Å
163	N	91.1	Very high	94.1	Very high	55 Å²	55	22.2 Å²	22.2	29%	0.294	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	33.9	-171.8	-63.6	-50.5	0	0	0	114.2	L159 H160 S161 E195 T196 K224	L159-N163 PolarHBondContact O-N 2.88Å; H160-N163 PolarHBondContact O-N 3.3Å; S161-N163 PolarHBondContact O-N 3.06Å; N163-E195 CarbonylContact O-C 3.59Å; N163-E195 VanDerWaalsContact O-CA 3.31Å; N163-E195 WeakPolarHBondContact O-CA 3.29Å; N163-T196 PolarHBondContact O-N 3.28Å; N163-T196 PolarHBondContact O-OG1 3.2Å; N163-K224 PolarHBondContact OD1-NZ 3.5Å
164	I	92.6	Very high	94	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	129.2	169.9	-60.2	172.7	0	0	0	108	Y89 L159 H160 M162 A193	Y89-I164 HydrophobicContact CD1-CD1 3.9Å; Y89-I164 HydrophobicContact CD1-CG1 4.17Å; Y89-I164 HydrophobicContact CG-CD1 4.33Å; L159-I164 CarbonylContact C-O 3.6Å; L159-I164 HydrophobicContact CB-CB 4.39Å; L159-I164 WeakPolarHBondContact CB-O 3.44Å; L159-I164 HydrophobicContact CD2-CB 4.37Å; L159-I164 HydrophobicContact CD2-CG2 4.19Å; L159-I164 PolarHBondContact O-N 3.39Å; L159-I164 VanDerWaalsContact O-O 3.09Å; H160-I164 PolarHBondContact CD2-O 3.34Å; H160-I164 PolarHBondContact N-O 2.86Å; M162-I164 VanDerWaalsContact C-N 3.25Å; M162-I164 HydrophobicContact CB-CD1 4.33Å; M162-I164 HydrophobicContact CB-CG1 4.36Å; M162-I164 HydrophobicContact CE-CD1 4.26Å; M162-I164 PolarHBondContact O-N 3.49Å; I164-A193 HydrophobicContact CG2-CB 4.25Å
165	A	93.6	Very high	93.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	136.5	164.6	0	0	0	0	0	108.8	R167 A193 K194 T196 D223 K224 D227	A165-R167 HydrophobicContact CB-CG 3.78Å; A165-A193 VanDerWaalsContact O-CA 3.27Å; A165-A193 WeakPolarHBondContact O-CA 3.46Å; A165-K194 PolarHBondContact N-O 3.48Å; A165-K194 PolarHBondContact O-N 3.01Å; A165-T196 HydrophobicContact CB-CG2 3.82Å; A165-D223 HydrophobicContact CB-CB 3.97Å; A165-K224 HydrophobicContact CB-CG 4.31Å; A165-D227 WeakPolarHBondContact CA-OD2 3.47Å
166	H	94.6	Very high	93.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.117	C	C	.	.			trans	-78.9	-43.8	-177.7	-170.9	-96.7	0	0	0	111.6	L159 D168 V169 L187 T188 D189 F192 A193 D227	L159-H166 HydrophobicContact CD1-CB 3.89Å; H166-D168 PolarHBondContact CE1-O 3.22Å; H166-D168 VanDerWaalsContact ND1-C 3.31Å; H166-D168 PolarHBondContact ND1-O 2.77Å; H166-D168 PolarHBondContact O-N 3.46Å; H166-V169 HydrophobicContact CB-CG2 3.79Å; H166-V169 PolarHBondContact ND1-N 3.49Å; H166-L187 HydrophobicContact CB-CD2 4.38Å; H166-T188 PolarHBondContact CE1-O 3.38Å; H166-T188 VanDerWaalsContact CE1-O 3.28Å; H166-T188 PolarHBondContact NE2-O 2.97Å; H166-D189 PolarHBondContact CE1-O 3.42Å; H166-D189 PolarHBondContact NE2-O 3.07Å; H166-F192 CarbonylContact O-C 3.57Å; H166-A193 PolarHBondContact O-N 3.23Å; H166-D227 PolarHBondContact N-OD1 3.25Å; H166-D227 PolarHBondContact N-OD2 3.09Å
167	R	91.9	Very high	93.8	Very high	27 Å²	27	24.8 Å²	24.8	10%	0.102	13%	0.126	C	C	.	.			trans	65.9	-15.3	176	-46.5	-171.7	-58.3	159	7.5	116.1	A165 F192 D223 D227 R346 V347	A165-R167 HydrophobicContact CB-CG 3.78Å; R167-F192 HydrophobicContact CB-CB 4.42Å; R167-F192 VanDerWaalsContact CZ-O 3.29Å; R167-F192 PolarHBondContact NE-O 2.86Å; R167-F192 PolarHBondContact NH2-O 3.4Å; R167-D223 WeakPolarHBondContact CD-OD1 3.5Å; R167-D223 IonicContact CZ-OD1 2.65Å; R167-D223 IonicContact NE-OD1 2.67Å; R167-D223 IonicContact NH1-OD1 3.57Å; R167-D223 PolarHBondContact NH1-OD1 2.7Å; R167-D227 WeakPolarHBondContact CA-OD1 3.41Å; R167-D227 PolarHBondContact N-OD1 2.93Å; R167-R346 HydrophobicContact CB-CG 4.14Å; R167-R346 PolarHBondContact O-NE 2.8Å; R167-R346 PolarHBondContact O-NH2 3.46Å; R167-V347 PolarHBondContact NH1-O 2.62Å
168	D	91.8	Very high	93.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.119	C	C	.	.			trans	-116.7	42.7	172.5	-158.8	44.1	0	0	0	112.5	H166 K170 N173 F192 R346	H166-D168 PolarHBondContact CE1-O 3.22Å; H166-D168 VanDerWaalsContact ND1-C 3.31Å; H166-D168 PolarHBondContact ND1-O 2.77Å; H166-D168 PolarHBondContact O-N 3.46Å; D168-K170 PolarHBondContact O-N 3.15Å; D168-K170 IonicContact OD1-NZ 2.71Å; D168-K170 PolarHBondContact OD1-NZ 2.9Å; D168-K170 WeakPolarHBondContact OD2-CE 3.33Å; D168-K170 IonicContact OD2-NZ 2.74Å; D168-K170 PolarHBondContact OD2-NZ 3.03Å; D168-N173 PolarHBondContact O-ND2 2.95Å; D168-N173 PolarHBondContact OD2-ND2 2.71Å; D168-F192 HydrophobicContact CB-CB 4.15Å; D168-F192 HydrophobicContact CB-CD2 3.88Å; D168-F192 HydrophobicContact CB-CG 4.31Å; D168-R346 VanDerWaalsContact CA-NH2 3.26Å; D168-R346 IonicContact OD1-CZ 3.13Å; D168-R346 IonicContact OD1-NH1 3.23Å; D168-R346 IonicContact OD1-NH2 3.91Å; D168-R346 PolarHBondContact OD1-NH2 3.09Å
169	V	93.9	Very high	93.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.131	C	C	.	.			trans	-75.9	116.6	172.7	-174.4	0	0	0	0	108.7	I152 I156 H166 L187 D227 S230 I234	I152-V169 HydrophobicContact CG2-CG1 4.44Å; I156-V169 HydrophobicContact CD1-CG1 4.49Å; I156-V169 HydrophobicContact CD1-CG2 3.57Å; H166-V169 HydrophobicContact CB-CG2 3.79Å; H166-V169 PolarHBondContact ND1-N 3.49Å; V169-L187 HydrophobicContact CG1-CD1 4.48Å; V169-L187 HydrophobicContact CG2-CD1 4.48Å; V169-L187 HydrophobicContact CG2-CD2 4.5Å; V169-D227 HydrophobicContact CG2-CB 4.29Å; V169-D227 WeakPolarHBondContact CG2-OD1 3.2Å; V169-S230 WeakPolarHBondContact O-CB 3.34Å; V169-S230 PolarHBondContact O-OG 3.2Å; V169-I234 HydrophobicContact CG1-CD1 3.92Å
170	K	90.1	Very high	92.8	Very high	10 Å²	10	32 Å²	32	4%	0.043	16%	0.164	C	C	.	.	S	Bend	trans	-163.7	164.4	-173.9	63.7	-178.9	-172.4	-154	0	111	D168 E172 N173 T339 L342	D168-K170 PolarHBondContact O-N 3.15Å; D168-K170 IonicContact OD1-NZ 2.71Å; D168-K170 PolarHBondContact OD1-NZ 2.9Å; D168-K170 WeakPolarHBondContact OD2-CE 3.33Å; D168-K170 IonicContact OD2-NZ 2.74Å; D168-K170 PolarHBondContact OD2-NZ 3.03Å; K170-E172 VanDerWaalsContact C-N 3.28Å; K170-E172 WeakPolarHBondContact CB-OE2 3.18Å; K170-E172 VanDerWaalsContact CD-OE2 3.29Å; K170-E172 WeakPolarHBondContact CD-OE2 3.46Å; K170-E172 WeakPolarHBondContact CG-OE2 3.16Å; K170-E172 PolarHBondContact O-N 3.3Å; K170-E172 VanDerWaalsContact O-N 3.17Å; K170-N173 HydrophobicContact CG-CB 4.26Å; K170-N173 PolarHBondContact O-N 3.35Å; K170-T339 WeakPolarHBondContact CD-OG1 3.48Å; K170-T339 PolarHBondContact NZ-OG1 3.13Å; K170-T339 VanDerWaalsContact NZ-OG1 3.12Å; K170-L342 HydrophobicContact CB-CD1 4.11Å
171	P	87.3	Confident	91.9	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-43.7	-46.3	-179.1	-35	39	0	0	0	115.7	F129 N173 L174 W331 M338	F129-P171 HydrophobicContact CD2-CB 3.69Å; F129-P171 HydrophobicContact CD2-CG 3.89Å; F129-P171 HydrophobicContact CE2-CB 4.04Å; F129-P171 HydrophobicContact CE2-CG 3.78Å; P171-N173 PolarHBondContact O-N 3.22Å; P171-L174 PolarHBondContact O-N 3.09Å; P171-W331 HydrophobicContact CB-CZ2 4.05Å; P171-W331 HydrophobicContact CG-CH2 4.31Å; P171-W331 HydrophobicContact CG-CZ2 4.12Å; P171-M338 HydrophobicContact CG-CE 4.13Å; P171-M338 HydrophobicContact CG-SD 3.87Å
172	E	88.4	Confident	91.2	Very high	43 Å²	43	44.3 Å²	44.3	20%	0.201	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-68.2	-23.4	-173.5	-49.2	96.7	117	0	0	112.8	K170 K335 T339	K170-E172 VanDerWaalsContact C-N 3.28Å; K170-E172 WeakPolarHBondContact CB-OE2 3.18Å; K170-E172 VanDerWaalsContact CD-OE2 3.29Å; K170-E172 WeakPolarHBondContact CD-OE2 3.46Å; K170-E172 WeakPolarHBondContact CG-OE2 3.16Å; K170-E172 PolarHBondContact O-N 3.3Å; K170-E172 VanDerWaalsContact O-N 3.17Å; E172-K335 HydrophobicContact CG-CD 3.68Å; E172-K335 HydrophobicContact CG-CG 4.2Å; E172-T339 PolarHBondContact OE1-OG1 3.28Å
173	N	94.4	Very high	91.1	Very high	11 Å²	11	44 Å²	44	6%	0.059	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-97.9	7.5	-179.2	-71.8	-16.2	0	0	0	112.6	D168 K170 P171 L187 T188	D168-N173 PolarHBondContact O-ND2 2.95Å; D168-N173 PolarHBondContact OD2-ND2 2.71Å; K170-N173 HydrophobicContact CG-CB 4.26Å; K170-N173 PolarHBondContact O-N 3.35Å; P171-N173 PolarHBondContact O-N 3.22Å; N173-L187 HydrophobicContact CB-CD1 4.32Å; N173-L187 CarbonylContact O-C 3.42Å; N173-L187 WeakPolarHBondContact O-CA 3.41Å; N173-T188 HydrophobicContact CB-CG2 4.34Å; N173-T188 WeakPolarHBondContact CB-O 3.4Å; N173-T188 PolarHBondContact O-N 3.26Å
174	L	96.7	Very high	91.4	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	98	178.9	-68.4	176.7	0	0	0	109.9	L128 I152 P171 L185 L187 I234	L128-L174 HydrophobicContact CB-CB 4.09Å; L128-L174 HydrophobicContact CD2-CB 4.41Å; L128-L174 HydrophobicContact CD2-CD1 3.96Å; L128-L174 PolarHBondContact N-O 3.47Å; I152-L174 HydrophobicContact CD1-CD1 3.68Å; I152-L174 HydrophobicContact CG1-CD1 4.14Å; I152-L174 HydrophobicContact CG1-CD2 4.06Å; I152-L174 HydrophobicContact CG2-CD2 4.19Å; P171-L174 PolarHBondContact O-N 3.09Å; L174-L185 HydrophobicContact CB-CD1 4.22Å; L174-L187 HydrophobicContact CD2-CB 4.35Å; L174-L187 HydrophobicContact CD2-CD1 3.95Å; L174-I234 HydrophobicContact CD1-CD1 3.88Å
175	L	96.5	Very high	91.6	Very high	36 Å²	36	44 Å²	44	19%	0.188	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	143.2	-170.5	-54.6	-178.9	0	0	0	111.5	M123 G126 E127 K186 T188	M123-L175 HydrophobicContact CB-CB 3.81Å; M123-L175 HydrophobicContact CB-CD1 3.89Å; M123-L175 HydrophobicContact CE-CB 4.01Å; M123-L175 WeakPolarHBondContact CE-O 3.41Å; M123-L175 HydrophobicContact CG-CB 4.12Å; M123-L175 HydrophobicContact CG-CD1 4.17Å; G126-L175 WeakPolarHBondContact O-CA 3.34Å; E127-L175 HydrophobicContact CB-CD2 4.41Å; E127-L175 HydrophobicContact CG-CD2 3.79Å; L175-K186 PolarHBondContact N-O 3.44Å; L175-K186 PolarHBondContact O-N 3.19Å; L175-T188 HydrophobicContact CD1-CG2 3.9Å; L175-T188 HydrophobicContact CG-CG2 4.22Å
176	Y	97.1	Very high	91.8	Very high	27 Å²	27	45.4 Å²	45.4	11%	0.106	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	141.6	172.4	-79.9	-73.1	0	0	0	111.8	G125 G126 L128 R131 T183 V184 L185	G125-Y176 VanDerWaalsContact CA-O 3.27Å; G125-Y176 WeakPolarHBondContact CA-O 3.32Å; G125-Y176 PolarHBondContact N-O 3.1Å; G126-Y176 PolarHBondContact O-N 3.4Å; L128-Y176 HydrophobicContact CD1-CE2 3.76Å; L128-Y176 WeakPolarHBondContact CD1-OH 3.42Å; R131-Y176 HydrophobicContact CB-CD2 3.87Å; R131-Y176 HydrophobicContact CB-CE2 3.81Å; R131-Y176 HydrophobicContact CG-CD2 3.77Å; R131-Y176 HydrophobicContact CG-CE2 4.25Å; Y176-T183 HydrophobicContact CD1-CG2 3.47Å; Y176-T183 VanDerWaalsContact CD1-CG2 3.47Å; Y176-T183 HydrophobicContact CE1-CG2 3.9Å; Y176-T183 HydrophobicContact CG-CG2 4.2Å; Y176-V184 WeakPolarHBondContact CA-O 3.42Å; Y176-L185 HydrophobicContact CD1-CB 4.16Å; Y176-L185 HydrophobicContact CD1-CD1 4.23Å; Y176-L185 HydrophobicContact CD2-CD1 4.09Å; Y176-L185 HydrophobicContact CE1-CB 3.86Å; Y176-L185 HydrophobicContact CE1-CD1 4.14Å; Y176-L185 HydrophobicContact CE2-CD1 4.02Å; Y176-L185 HydrophobicContact CG-CD1 4.22Å
177	T	95.6	Very high	92	Very high	30 Å²	30	45.5 Å²	45.5	18%	0.184	22%	0.222	C	C	.	.	S	Bend	trans	-62.3	-46.6	179.4	48.9	0	0	0	0	112.1	M123 E124 G125 T183 V184 K186	M123-T177 HydrophobicContact CE-CG2 3.81Å; M123-T177 HydrophobicContact SD-CG2 4.1Å; E124-T177 PolarHBondContact N-O 3.44Å; G125-T177 PolarHBondContact N-O 2.88Å; T177-T183 PolarHBondContact N-OG1 2.82Å; T177-T183 PolarHBondContact OG1-OG1 3.49Å; T177-V184 HydrophobicContact CG2-CB 4.07Å; T177-V184 PolarHBondContact N-O 2.89Å; T177-V184 PolarHBondContact OG1-N 2.92Å; T177-K186 HydrophobicContact CG2-CD 3.93Å; T177-K186 HydrophobicContact CG2-CG 4.33Å
178	S	93.8	Very high	92.1	Very high	28 Å²	28	45.2 Å²	45.2	20%	0.196	22%	0.223	C	C	.	.			trans	-138.3	170.1	180	81.4	0	0	0	0	112.7	G125 E180 T183	G125-S178 WeakPolarHBondContact CA-O 3.44Å; S178-E180 VanDerWaalsContact C-N 3.29Å; S178-E180 WeakPolarHBondContact OG-CB 3.45Å; S178-E180 PolarHBondContact OG-N 2.82Å; S178-T183 PolarHBondContact N-OG1 3.14Å; S178-T183 VanDerWaalsContact N-OG1 3.09Å; S178-T183 WeakPolarHBondContact O-CB 3.25Å; S178-T183 PolarHBondContact O-OG1 2.95Å
179	K	88.6	Confident	92	Very high	123 Å²	123	45.8 Å²	45.8	54%	0.535	23%	0.227	S	C	.	.	S	Bend	trans	-81.8	-5.8	172.6	-68.1	-160.9	171.2	-137.3	0	113.9	R131 E134	R131-K179 PolarHBondContact NH1-O 2.65Å; R131-K179 VanDerWaalsContact NH2-C 3.25Å; R131-K179 PolarHBondContact NH2-O 3.27Å; E134-K179 IonicContact OE1-NZ 3.46Å; E134-K179 IonicContact OE2-NZ 3.25Å
180	E	88.6	Confident	92	Very high	145 Å²	145	45.8 Å²	45.8	68%	0.678	23%	0.227	S	C	*	.	S	Bend	trans	-72.6	179.7	-178.1	-56.6	-176.5	168.4	0	0	111.5	R131 S178 T183	R131-E180 PolarHBondContact NH2-O 2.78Å; R131-E180 VanDerWaalsContact NH2-O 3.1Å; S178-E180 VanDerWaalsContact C-N 3.29Å; S178-E180 WeakPolarHBondContact OG-CB 3.45Å; S178-E180 PolarHBondContact OG-N 2.82Å; E180-T183 WeakPolarHBondContact O-CG2 3.38Å
181	K	77.3	Confident	91.9	Very high	202 Å²	202	46.2 Å²	46.2	88%	0.878	23%	0.234	S	C	*	.	S	Bend	trans	-75.3	-42.8	-179.8	-68.3	-172.8	177.5	-176	0	112	T183	K181-T183 PolarHBondContact O-N 3.1Å
182	D	79.3	Confident	91.9	Very high	157 Å²	157	49 Å²	49	84%	0.84	25%	0.246	S	C	*	.	S	Bend	trans	-84.4	53.8	-179	-55.6	-37.1	0	0	0	110.9
183	T	90.8	Very high	91.9	Very high	29 Å²	29	47.5 Å²	47.5	18%	0.178	24%	0.241	C	C	.	.			trans	-98	145.9	-176.8	-170.8	0	0	0	0	111.3	Y176 T177 S178 E180 K181	Y176-T183 HydrophobicContact CD1-CG2 3.47Å; Y176-T183 VanDerWaalsContact CD1-CG2 3.47Å; Y176-T183 HydrophobicContact CE1-CG2 3.9Å; Y176-T183 HydrophobicContact CG-CG2 4.2Å; T177-T183 PolarHBondContact N-OG1 2.82Å; T177-T183 PolarHBondContact OG1-OG1 3.49Å; S178-T183 PolarHBondContact N-OG1 3.14Å; S178-T183 VanDerWaalsContact N-OG1 3.09Å; S178-T183 WeakPolarHBondContact O-CB 3.25Å; S178-T183 PolarHBondContact O-OG1 2.95Å; E180-T183 WeakPolarHBondContact O-CG2 3.38Å; K181-T183 PolarHBondContact O-N 3.1Å
184	V	95.6	Very high	91.6	Very high	52 Å²	52	49.1 Å²	49.1	32%	0.315	25%	0.247	S	C	.	.			trans	-109.4	129.5	-178.1	179.3	0	0	0	0	109.2	Y176 T177 K186	Y176-V184 WeakPolarHBondContact CA-O 3.42Å; T177-V184 HydrophobicContact CG2-CB 4.07Å; T177-V184 PolarHBondContact N-O 2.89Å; T177-V184 PolarHBondContact OG1-N 2.92Å; V184-K186 HydrophobicContact CG1-CG 4.02Å
185	L	97.4	Very high	91.2	Very high	4 Å²	4	52.6 Å²	52.6	2%	0.021	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	128.9	171.1	-172.5	67.5	0	0	0	109.9	H98 L128 I148 I152 L174 Y176	H98-L185 PolarHBondContact ND1-O 3.02Å; H98-L185 VanDerWaalsContact ND1-O 3.09Å; L128-L185 HydrophobicContact CB-CD1 4.16Å; L128-L185 HydrophobicContact CD1-CD1 4.25Å; L128-L185 HydrophobicContact CD1-CD2 4.11Å; L128-L185 HydrophobicContact CD2-CD2 4.19Å; I148-L185 HydrophobicContact CG2-CD2 3.95Å; I152-L185 HydrophobicContact CD1-CD2 4.04Å; I152-L185 HydrophobicContact CG1-CD2 3.69Å; L174-L185 HydrophobicContact CB-CD1 4.22Å; Y176-L185 HydrophobicContact CD1-CB 4.16Å; Y176-L185 HydrophobicContact CD1-CD1 4.23Å; Y176-L185 HydrophobicContact CD2-CD1 4.09Å; Y176-L185 HydrophobicContact CE1-CB 3.86Å; Y176-L185 HydrophobicContact CE1-CD1 4.14Å; Y176-L185 HydrophobicContact CE2-CD1 4.02Å; Y176-L185 HydrophobicContact CG-CD1 4.22Å
186	K	98.3	Very high	90.4	Very high	29 Å²	29	50.9 Å²	50.9	13%	0.126	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	145	179.1	-53.5	-172.6	174.1	-170.6	0	112.9	P97 H98 V100 E121 M123 L175 T177 V184	P97-K186 WeakPolarHBondContact O-CE 3.48Å; H98-K186 CarbonylContact O-C 3.55Å; H98-K186 WeakPolarHBondContact O-CA 3.27Å; V100-K186 HydrophobicContact CG2-CB 3.96Å; E121-K186 WeakPolarHBondContact OE1-CD 3.44Å; E121-K186 IonicContact OE1-NZ 3.83Å; E121-K186 PolarHBondContact OE1-NZ 3.34Å; E121-K186 IonicContact OE2-NZ 3.74Å; E121-K186 PolarHBondContact OE2-NZ 2.58Å; M123-K186 HydrophobicContact CE-CB 3.71Å; M123-K186 HydrophobicContact CE-CD 3.98Å; M123-K186 HydrophobicContact CE-CG 3.88Å; M123-K186 HydrophobicContact SD-CD 4.22Å; L175-K186 PolarHBondContact N-O 3.44Å; L175-K186 PolarHBondContact O-N 3.19Å; T177-K186 HydrophobicContact CG2-CD 3.93Å; T177-K186 HydrophobicContact CG2-CG 4.33Å; V184-K186 HydrophobicContact CG1-CG 4.02Å
187	L	98	Very high	88.9	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	139.2	172.7	-178.6	64	0	0	0	111.3	H98 V100 A155 I156 L159 H166 V169 N173 L174	H98-L187 PolarHBondContact O-N 2.9Å; V100-L187 PolarHBondContact N-O 2.77Å; A155-L187 HydrophobicContact CB-CB 4.3Å; A155-L187 HydrophobicContact CB-CD2 4.38Å; I156-L187 HydrophobicContact CD1-CD2 3.81Å; L159-L187 HydrophobicContact CD1-CD2 4.01Å; H166-L187 HydrophobicContact CB-CD2 4.38Å; V169-L187 HydrophobicContact CG1-CD1 4.48Å; V169-L187 HydrophobicContact CG2-CD1 4.48Å; V169-L187 HydrophobicContact CG2-CD2 4.5Å; N173-L187 HydrophobicContact CB-CD1 4.32Å; N173-L187 CarbonylContact O-C 3.42Å; N173-L187 WeakPolarHBondContact O-CA 3.41Å; L174-L187 HydrophobicContact CD2-CB 4.35Å; L174-L187 HydrophobicContact CD2-CD1 3.95Å
188	T	94.8	Very high	86.9	Confident	22 Å²	22	55 Å²	55	14%	0.135	28%	0.283	C	S	.	.			trans	-136	177.6	178.1	-163	0	0	0	0	113	H166 N173 L175	H166-T188 PolarHBondContact CE1-O 3.38Å; H166-T188 VanDerWaalsContact CE1-O 3.28Å; H166-T188 PolarHBondContact NE2-O 2.97Å; N173-T188 HydrophobicContact CB-CG2 4.34Å; N173-T188 WeakPolarHBondContact CB-O 3.4Å; N173-T188 PolarHBondContact O-N 3.26Å; L175-T188 HydrophobicContact CD1-CG2 3.9Å; L175-T188 HydrophobicContact CG-CG2 4.22Å
189	D	90.2	Very high	84.4	Confident	12 Å²	12	61.3 Å²	61.3	6%	0.064	31%	0.309	C	S	.	.			trans	59.4	79.7	-179.1	-155.5	-10.4	0	0	0	116.7	K75 H166 G191	K75-D189 VanDerWaalsContact NZ-CG 3.33Å; K75-D189 IonicContact NZ-OD1 2.84Å; K75-D189 PolarHBondContact NZ-OD1 2.89Å; K75-D189 IonicContact NZ-OD2 3.93Å; H166-D189 PolarHBondContact CE1-O 3.42Å; H166-D189 PolarHBondContact NE2-O 3.07Å; D189-G191 PolarHBondContact O-N 2.93Å; D189-G191 VanDerWaalsContact O-N 3.07Å; D189-G191 PolarHBondContact OD1-N 3.15Å
190	F	92.8	Very high	82.1	Confident	0 Å²	0	63 Å²	63	0%	0	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-73.5	11.5	175	-77	-111.9	0	0	0	114.3	E86 H90 A93 I99 L159 F192 A193	E86-F190 HydrophobicContact CG-CB 4.08Å; H90-F190 HydrophobicContact CB-CB 3.97Å; H90-F190 HydrophobicContact CB-CD1 4.04Å; H90-F190 HydrophobicContact CB-CD2 3.82Å; H90-F190 HydrophobicContact CB-CE2 4.37Å; H90-F190 HydrophobicContact CB-CG 3.66Å; H90-F190 AromaticContact CD2-CD2 3.53Å; H90-F190 AromaticContact CD2-CE2 3.44Å; H90-F190 VanDerWaalsContact CD2-CE2 3.44Å; H90-F190 WeakPolarHBondContact CD2-CE2 3.07Å; H90-F190 AromaticContact CG-CD2 3.41Å; H90-F190 VanDerWaalsContact CG-CD2 3.41Å; H90-F190 AromaticContact CG-CE2 3.83Å; H90-F190 AromaticContact CG-CG 3.81Å; H90-F190 AromaticContact ND1-CD2 3.73Å; H90-F190 AromaticContact NE2-CD2 3.93Å; H90-F190 AromaticContact NE2-CE2 3.84Å; A93-F190 HydrophobicContact CB-CE1 3.53Å; A93-F190 HydrophobicContact CB-CZ 3.44Å; A93-F190 VanDerWaalsContact CB-CZ 3.44Å; I99-F190 HydrophobicContact CD1-CZ 4.4Å; I99-F190 HydrophobicContact CG2-CE2 3.75Å; I99-F190 HydrophobicContact CG2-CZ 3.7Å; L159-F190 HydrophobicContact CD1-CE1 4.35Å; L159-F190 HydrophobicContact CD1-CZ 4.31Å; L159-F190 HydrophobicContact CD2-CE1 3.68Å; L159-F190 HydrophobicContact CD2-CZ 3.95Å; F190-F192 PolarHBondContact O-N 3Å; F190-A193 HydrophobicContact CB-CB 3.93Å; F190-A193 HydrophobicContact CD1-CB 3.64Å; F190-A193 HydrophobicContact CG-CB 4.16Å; F190-A193 VanDerWaalsContact O-CB 3.26Å; F190-A193 WeakPolarHBondContact O-CB 3.06Å; F190-A193 PolarHBondContact O-N 2.91Å
191	G	87.7	Confident	79.7	Confident	19 Å²	19	59 Å²	59	20%	0.196	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-61.2	-15.6	-175.3	0	0	0	0	0	115.9	N57 E86 D189	N57-G191 WeakPolarHBondContact ND2-CA 3.25Å; E86-G191 WeakPolarHBondContact OE2-CA 3.21Å; D189-G191 PolarHBondContact O-N 2.93Å; D189-G191 VanDerWaalsContact O-N 3.07Å; D189-G191 PolarHBondContact OD1-N 3.15Å
192	F	87.5	Confident	77.8	Confident	57 Å²	57	54.8 Å²	54.8	25%	0.25	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-113.2	-1.2	170.7	-69	-88.3	0	0	0	114.2	I56 H166 R167 D168 F190 R346	I56-F192 HydrophobicContact CB-CE2 4.15Å; I56-F192 HydrophobicContact CD1-CE2 3.55Å; I56-F192 HydrophobicContact CD1-CZ 4.2Å; I56-F192 HydrophobicContact CG1-CE2 4.41Å; I56-F192 HydrophobicContact CG2-CE2 3.78Å; I56-F192 HydrophobicContact CG2-CZ 3.92Å; H166-F192 CarbonylContact O-C 3.57Å; R167-F192 HydrophobicContact CB-CB 4.42Å; R167-F192 VanDerWaalsContact CZ-O 3.29Å; R167-F192 PolarHBondContact NE-O 2.86Å; R167-F192 PolarHBondContact NH2-O 3.4Å; D168-F192 HydrophobicContact CB-CB 4.15Å; D168-F192 HydrophobicContact CB-CD2 3.88Å; D168-F192 HydrophobicContact CB-CG 4.31Å; F190-F192 PolarHBondContact O-N 3Å; F192-R346 VanDerWaalsContact CE1-NH1 3.25Å
193	A	89.9	Confident	75.7	Confident	12 Å²	12	56.6 Å²	56.6	10%	0.099	31%	0.306	C	S	.	.			trans	-61.3	144.7	-177.6	0	0	0	0	0	110.8	Y89 I164 A165 H166 F190	Y89-A193 HydrophobicContact CD2-CB 4.02Å; Y89-A193 WeakPolarHBondContact CD2-O 3.37Å; Y89-A193 WeakPolarHBondContact CE2-O 3.33Å; I164-A193 HydrophobicContact CG2-CB 4.25Å; A165-A193 VanDerWaalsContact O-CA 3.27Å; A165-A193 WeakPolarHBondContact O-CA 3.46Å; H166-A193 PolarHBondContact O-N 3.23Å; F190-A193 HydrophobicContact CB-CB 3.93Å; F190-A193 HydrophobicContact CD1-CB 3.64Å; F190-A193 HydrophobicContact CG-CB 4.16Å; F190-A193 VanDerWaalsContact O-CB 3.26Å; F190-A193 WeakPolarHBondContact O-CB 3.06Å; F190-A193 PolarHBondContact O-N 2.91Å
194	K	88.1	Confident	73.2	Confident	45 Å²	45	59.2 Å²	59.2	20%	0.196	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	139.8	-175.2	-170.4	-168.5	156.2	-151.6	0	111.2	A165 D223	A165-K194 PolarHBondContact N-O 3.48Å; A165-K194 PolarHBondContact O-N 3.01Å; K194-D223 IonicContact NZ-OD2 3.03Å; K194-D223 PolarHBondContact NZ-OD2 2.77Å
195	E	88.2	Confident	70.4	Confident	74 Å²	74	62.6 Å²	62.6	35%	0.346	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	130.5	168.8	-159.4	157.1	-116.1	0	0	111.2	Y89 R92 N163	Y89-E195 HydrophobicContact CE1-CB 3.79Å; Y89-E195 PolarHBondContact OH-N 3.16Å; R92-E195 IonicContact CZ-OE1 3.69Å; R92-E195 IonicContact NH1-OE1 2.65Å; R92-E195 PolarHBondContact NH1-OE1 3.45Å; R92-E195 IonicContact NH2-OE1 2.62Å; R92-E195 PolarHBondContact NH2-OE1 3.18Å; N163-E195 CarbonylContact O-C 3.59Å; N163-E195 VanDerWaalsContact O-CA 3.31Å; N163-E195 WeakPolarHBondContact O-CA 3.29Å
196	T	79.7	Confident	67.5	Low	1 Å²	1	67.4 Å²	67.4	1%	0.006	38%	0.377	C	S	.	.			trans	-100.9	90.8	-176.4	66.4	0	0	0	0	109.4	N163 A165 D223 K224	N163-T196 PolarHBondContact O-N 3.28Å; N163-T196 PolarHBondContact O-OG1 3.2Å; A165-T196 HydrophobicContact CB-CG2 3.82Å; T196-D223 HydrophobicContact CG2-CB 3.8Å; T196-K224 HydrophobicContact CG2-CG 4.11Å; T196-K224 WeakPolarHBondContact OG1-CE 3.46Å
197	T	65.4	Low	64.8	Low	67 Å²	67	72.1 Å²	72.1	41%	0.411	40%	0.395	S	S	.	.			trans	65	-137.2	170.8	58.1	0	0	0	0	113.8	Q199 E220	T197-Q199 VanDerWaalsContact C-N 3.34Å; T197-E220 WeakPolarHBondContact CA-OE1 3.48Å
198	V	53	Low	61.9	Low	76 Å²	76	76.6 Å²	76.6	46%	0.461	42%	0.423	S	S	.	.			cis	-92.5	11.6	6.7	-179.3	0	0	0	0	112.1	N200 E220	V198-N200 PolarHBondContact O-N 2.91Å; V198-N200 VanDerWaalsContact O-N 3.1Å; V198-E220 WeakPolarHBondContact CA-OE1 3.24Å
199	Q	41.9	Very low	59.4	Low	160 Å²	160	80.4 Å²	80.4	75%	0.748	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	111.8	-171.1	-66.3	-173.4	-15.8	0	0	113.4	T197	T197-Q199 VanDerWaalsContact C-N 3.34Å
200	N	38.5	Very low	57	Low	158 Å²	158	89.4 Å²	89.4	85%	0.845	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.6	22.1	173.1	-52.2	-30	0	0	0	118.3	V198 L202	V198-N200 PolarHBondContact O-N 2.91Å; V198-N200 VanDerWaalsContact O-N 3.1Å; N200-L202 PolarHBondContact O-N 2.95Å
201	A	39.8	Very low	54.8	Low	62 Å²	62	99 Å²	99	51%	0.512	52%	0.52	S	S	.	.	S	Bend	trans	-69.4	106.1	140.1	0	0	0	0	0	107.6	Q203	A201-Q203 PolarHBondContact O-N 3.39Å; A201-Q203 VanDerWaalsContact O-N 3.1Å
202	L	37	Very low	52.7	Low	114 Å²	114	100.6 Å²	100.6	60%	0.597	53%	0.526	S	S	*	.			trans	-52	115.5	-176.5	-76.4	154	0	0	0	111	N200 T204	N200-L202 PolarHBondContact O-N 2.95Å; L202-T204 PolarHBondContact O-N 3.42Å
203	Q	35.2	Very low	50.7	Low	195 Å²	195	99.7 Å²	99.7	91%	0.911	53%	0.529	S	S	*	.			trans	-74.4	36.1	174.9	-73.8	-163.4	-25.8	0	0	113.1	A201	A201-Q203 PolarHBondContact O-N 3.39Å; A201-Q203 VanDerWaalsContact O-N 3.1Å
204	T	37.2	Very low	48.5	Very low	83 Å²	83	102.8 Å²	102.8	51%	0.509	55%	0.548	S	S	.	.			trans	-115.3	103	177.2	-37.6	0	0	0	0	108.1	L202 C206	L202-T204 PolarHBondContact O-N 3.42Å; T204-C206 PolarHBondContact O-N 3.47Å
205	P	38.6	Very low	46.5	Very low	124 Å²	124	107.9 Å²	107.9	81%	0.805	57%	0.573	S	S	*	*			trans	-76.9	73.5	-175.8	31.9	-35.4	0	0	0	111.3
206	C	36.2	Very low	44.3	Very low	104 Å²	104	108.3 Å²	108.3	70%	0.703	58%	0.58	S	S	*	*			trans	-133.8	62.4	-179.5	-62.4	0	0	0	0	110.5	T204	T204-C206 PolarHBondContact O-N 3.47Å
207	Y	40.6	Very low	42.8	Very low	128 Å²	128	111.9 Å²	111.9	50%	0.502	60%	0.599	S	S	.	*			trans	-114.8	109.4	-174	-75.4	-73	0	0	0	114.3	V212	Y207-V212 HydrophobicContact CD1-CG2 3.92Å; Y207-V212 HydrophobicContact CE1-CG2 4.07Å
208	T	37	Very low	42.2	Very low	95 Å²	95	109.5 Å²	109.5	58%	0.583	59%	0.588	S	S	*	*			trans	-82.4	115.2	154	-51.3	0	0	0	0	107.6	Y210 Y211	T208-Y210 VanDerWaalsContact C-N 3.27Å; T208-Y210 HydrophobicContact CG2-CD2 4.3Å; T208-Y210 PolarHBondContact O-N 2.97Å; T208-Y210 VanDerWaalsContact O-N 3.1Å; T208-Y211 HydrophobicContact CG2-CE2 4.41Å
209	P	42.8	Very low	42.5	Very low	103 Å²	103	108.1 Å²	108.1	67%	0.669	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-71.5	-9.2	-161.3	25	-34.7	0	0	0	116.3	Y211	P209-Y211 PolarHBondContact O-N 2.78Å
210	Y	40.1	Very low	43.5	Very low	200 Å²	200	102.2 Å²	102.2	78%	0.784	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-79	-5.6	-169.7	-66.4	-74.1	0	0	0	116.3	T208	T208-Y210 VanDerWaalsContact C-N 3.27Å; T208-Y210 HydrophobicContact CG2-CD2 4.3Å; T208-Y210 PolarHBondContact O-N 2.97Å; T208-Y210 VanDerWaalsContact O-N 3.1Å
211	Y	45.5	Very low	44.8	Very low	201 Å²	201	99.6 Å²	99.6	79%	0.788	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-125.7	8.4	-168.1	-56.3	-71.5	0	0	0	115.4	T208 P209	T208-Y211 HydrophobicContact CG2-CE2 4.41Å; P209-Y211 PolarHBondContact O-N 2.78Å
212	V	43.5	Very low	46.3	Very low	54 Å²	54	100.3 Å²	100.3	33%	0.327	52%	0.524	S	S	.	.			trans	-89.5	116.5	-177.5	-177.5	0	0	0	0	110	Y207 V216 L217	Y207-V212 HydrophobicContact CD1-CG2 3.92Å; Y207-V212 HydrophobicContact CE1-CG2 4.07Å; V212-V216 HydrophobicContact CG1-CB 3.71Å; V212-V216 HydrophobicContact CG1-CG1 3.83Å; V212-L217 HydrophobicContact CG1-CD2 4.3Å
213	A	45.8	Very low	48.5	Very low	37 Å²	37	95 Å²	95	31%	0.306	50%	0.496	S	S	.	.			trans	-71.8	149.7	178	0	0	0	0	0	111.8	E215 V216	A213-E215 VanDerWaalsContact C-N 3.25Å; A213-E215 VanDerWaalsContact CB-CD 3.49Å; A213-E215 HydrophobicContact CB-CG 4.47Å; A213-E215 WeakPolarHBondContact CB-OE1 3.48Å; A213-E215 WeakPolarHBondContact CB-OE2 3.44Å; A213-E215 PolarHBondContact O-N 2.89Å; A213-E215 VanDerWaalsContact O-N 3.13Å; A213-V216 HydrophobicContact CB-CG2 4.32Å; A213-V216 VanDerWaalsContact O-CB 3.31Å; A213-V216 WeakPolarHBondContact O-CB 3.41Å; A213-V216 PolarHBondContact O-N 3.47Å
214	P	45	Very low	51.1	Low	78 Å²	78	87.9 Å²	87.9	51%	0.506	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-56.5	-33.4	-172.1	-26.9	35.5	0	0	0	114.9	V216 L217	P214-V216 PolarHBondContact O-N 3.4Å; P214-L217 WeakPolarHBondContact O-CB 3.44Å; P214-L217 PolarHBondContact O-N 3.24Å
215	E	46.2	Very low	53.6	Low	151 Å²	151	84.4 Å²	84.4	71%	0.706	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-64.5	-22.6	176.1	63.3	-88.3	-153.8	0	0	113.8	A213	A213-E215 VanDerWaalsContact C-N 3.25Å; A213-E215 VanDerWaalsContact CB-CD 3.49Å; A213-E215 HydrophobicContact CB-CG 4.47Å; A213-E215 WeakPolarHBondContact CB-OE1 3.48Å; A213-E215 WeakPolarHBondContact CB-OE2 3.44Å; A213-E215 PolarHBondContact O-N 2.89Å; A213-E215 VanDerWaalsContact O-N 3.13Å
216	V	41.5	Very low	56.1	Low	84 Å²	84	78.6 Å²	78.6	51%	0.509	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-80.6	-18.2	178.4	-173.4	0	0	0	0	111.6	V212 A213 P214 G218	V212-V216 HydrophobicContact CG1-CB 3.71Å; V212-V216 HydrophobicContact CG1-CG1 3.83Å; A213-V216 HydrophobicContact CB-CG2 4.32Å; A213-V216 VanDerWaalsContact O-CB 3.31Å; A213-V216 WeakPolarHBondContact O-CB 3.41Å; A213-V216 PolarHBondContact O-N 3.47Å; P214-V216 PolarHBondContact O-N 3.4Å; V216-G218 PolarHBondContact O-N 3.13Å
217	L	47.6	Very low	58.9	Low	76 Å²	76	73.7 Å²	73.7	40%	0.398	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-73.8	-2.1	173.2	-64.8	175.4	0	0	0	113.7	V212 P214 T293	V212-L217 HydrophobicContact CG1-CD2 4.3Å; P214-L217 WeakPolarHBondContact O-CB 3.44Å; P214-L217 PolarHBondContact O-N 3.24Å; L217-T293 HydrophobicContact CD1-CG2 3.96Å
218	G	52.4	Low	61.6	Low	17 Å²	17	67.8 Å²	67.8	18%	0.175	35%	0.347	C	S	.	.			trans	83	150.3	165	0	0	0	0	0	115.2	V216 E220	V216-G218 PolarHBondContact O-N 3.13Å; G218-E220 PolarHBondContact O-N 3.42Å; G218-E220 VanDerWaalsContact O-N 3.15Å
219	P	59.4	Low	64.2	Low	46 Å²	46	63.6 Å²	63.6	30%	0.299	32%	0.321	S	S	.	.	H	α-helix	trans	-61.7	-21.3	177	26	-35.2	0	0	0	113.7	Y222 D223 Y349	P219-Y222 PolarHBondContact O-N 3.37Å; P219-D223 PolarHBondContact O-N 3.44Å; P219-Y349 HydrophobicContact CB-CE1 4.03Å; P219-Y349 WeakPolarHBondContact CB-OH 3.5Å
220	E	63.1	Low	66.7	Low	36 Å²	36	58.8 Å²	58.8	17%	0.168	29%	0.289	C	S	.	.	H	α-helix	trans	-64.2	-43.4	-173.1	-58	171.1	-153.3	0	0	113.2	T197 V198 G218 Y222 D223 K224	T197-E220 WeakPolarHBondContact CA-OE1 3.48Å; V198-E220 WeakPolarHBondContact CA-OE1 3.24Å; G218-E220 PolarHBondContact O-N 3.42Å; G218-E220 VanDerWaalsContact O-N 3.15Å; E220-Y222 VanDerWaalsContact C-N 3.3Å; E220-Y222 PolarHBondContact O-N 3.18Å; E220-D223 PolarHBondContact O-N 3.19Å; E220-K224 PolarHBondContact O-N 2.81Å
221	K	66.5	Low	69.5	Low	104 Å²	104	49.2 Å²	49.2	45%	0.452	25%	0.252	S	S	.	.	H	α-helix	trans	-61.6	-41.6	175	-86.3	-166.2	172.6	-168.7	0	110.9	S225	K221-S225 WeakPolarHBondContact O-CB 3.46Å; K221-S225 PolarHBondContact O-N 2.86Å; K221-S225 PolarHBondContact O-OG 3.06Å
222	Y	71.9	Confident	71.9	Confident	76 Å²	76	39.7 Å²	39.7	30%	0.298	21%	0.214	S	C	.	.	H	α-helix	trans	-64.1	-50.4	178.8	-73.2	-93	0	0	0	111.7	P219 E220 K224 S225 C226 P292	P219-Y222 PolarHBondContact O-N 3.37Å; E220-Y222 VanDerWaalsContact C-N 3.3Å; E220-Y222 PolarHBondContact O-N 3.18Å; Y222-K224 PolarHBondContact O-N 3.23Å; Y222-S225 PolarHBondContact O-N 3.5Å; Y222-S225 PolarHBondContact O-OG 2.75Å; Y222-C226 PolarHBondContact O-N 3.45Å; Y222-P292 HydrophobicContact CD1-CB 4Å; Y222-P292 HydrophobicContact CD1-CG 3.8Å; Y222-P292 HydrophobicContact CE1-CB 4.03Å; Y222-P292 HydrophobicContact CE1-CG 3.64Å
223	D	82.6	Confident	74.3	Confident	3 Å²	3	37.5 Å²	37.5	2%	0.016	20%	0.201	C	C	.	.	H	α-helix	trans	-58.5	-50.2	179	-82.7	-37.3	0	0	0	111.4	A165 R167 K194 T196 P219 E220 S225 C226	A165-D223 HydrophobicContact CB-CB 3.97Å; R167-D223 WeakPolarHBondContact CD-OD1 3.5Å; R167-D223 IonicContact CZ-OD1 2.65Å; R167-D223 IonicContact NE-OD1 2.67Å; R167-D223 IonicContact NH1-OD1 3.57Å; R167-D223 PolarHBondContact NH1-OD1 2.7Å; K194-D223 IonicContact NZ-OD2 3.03Å; K194-D223 PolarHBondContact NZ-OD2 2.77Å; T196-D223 HydrophobicContact CG2-CB 3.8Å; P219-D223 PolarHBondContact O-N 3.44Å; E220-D223 PolarHBondContact O-N 3.19Å; D223-S225 PolarHBondContact O-N 3.4Å; D223-C226 WeakPolarHBondContact O-CB 3.35Å; D223-C226 PolarHBondContact O-N 3.06Å
224	K	89.9	Confident	76.7	Confident	45 Å²	45	35.8 Å²	35.8	20%	0.196	19%	0.187	C	C	.	.	H	α-helix	trans	-67.4	-34.2	177.7	-66.6	-168.5	-170.6	-176.6	0	113.3	H160 N163 A165 T196 E220 Y222 C226 D227	H160-K224 HydrophobicContact CB-CD 4.22Å; H160-K224 PolarHBondContact CE1-O 3.28Å; H160-K224 PolarHBondContact O-NZ 2.84Å; N163-K224 PolarHBondContact OD1-NZ 3.5Å; A165-K224 HydrophobicContact CB-CG 4.31Å; T196-K224 HydrophobicContact CG2-CG 4.11Å; T196-K224 WeakPolarHBondContact OG1-CE 3.46Å; E220-K224 PolarHBondContact O-N 2.81Å; Y222-K224 PolarHBondContact O-N 3.23Å; K224-C226 PolarHBondContact O-N 2.75Å; K224-D227 PolarHBondContact O-N 3.12Å
225	S	89.6	Confident	79.2	Confident	11 Å²	11	32 Å²	32	8%	0.077	16%	0.163	C	C	.	.	H	α-helix	trans	-66.1	-20	178.4	77.4	0	0	0	0	113.7	K221 Y222 D223 M228 W229 P292 R295	K221-S225 WeakPolarHBondContact O-CB 3.46Å; K221-S225 PolarHBondContact O-N 2.86Å; K221-S225 PolarHBondContact O-OG 3.06Å; Y222-S225 PolarHBondContact O-N 3.5Å; Y222-S225 PolarHBondContact O-OG 2.75Å; D223-S225 PolarHBondContact O-N 3.4Å; S225-M228 PolarHBondContact O-N 2.7Å; S225-W229 PolarHBondContact O-N 2.78Å; S225-P292 WeakPolarHBondContact OG-CB 3.24Å; S225-R295 WeakPolarHBondContact O-CD 2.99Å; S225-R295 PolarHBondContact O-NH1 2.66Å; S225-R295 PolarHBondContact OG-NH1 3.27Å; S225-R295 VanDerWaalsContact OG-NH1 3.12Å
226	C	89.9	Confident	81.6	Confident	2 Å²	2	25 Å²	25	1%	0.014	13%	0.13	C	C	.	.	H	α-helix	trans	-65.8	-46.3	177	-165.8	0	0	0	0	110.3	Y222 D223 K224 M228 W229 S230	Y222-C226 PolarHBondContact O-N 3.45Å; D223-C226 WeakPolarHBondContact O-CB 3.35Å; D223-C226 PolarHBondContact O-N 3.06Å; K224-C226 PolarHBondContact O-N 2.75Å; C226-M228 VanDerWaalsContact C-N 3.3Å; C226-M228 PolarHBondContact O-N 2.87Å; C226-W229 WeakPolarHBondContact O-CB 3.39Å; C226-W229 PolarHBondContact O-N 3.3Å; C226-S230 PolarHBondContact O-N 3.39Å
227	D	95.1	Very high	84.1	Confident	0 Å²	0	21 Å²	21	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-60.1	-41.2	175.1	-60.7	-30.2	0	0	0	111.2	I156 H160 A165 H166 R167 V169 K224 W229 S230 L231	I156-D227 HydrophobicContact CD1-CB 4.46Å; I156-D227 HydrophobicContact CG2-CB 3.94Å; H160-D227 IonicContact CD2-OD2 3.72Å; H160-D227 IonicContact CE1-OD2 3.55Å; H160-D227 IonicContact NE2-OD2 2.68Å; H160-D227 PolarHBondContact NE2-OD2 3.04Å; A165-D227 WeakPolarHBondContact CA-OD2 3.47Å; H166-D227 PolarHBondContact N-OD1 3.25Å; H166-D227 PolarHBondContact N-OD2 3.09Å; R167-D227 WeakPolarHBondContact CA-OD1 3.41Å; R167-D227 PolarHBondContact N-OD1 2.93Å; V169-D227 HydrophobicContact CG2-CB 4.29Å; V169-D227 WeakPolarHBondContact CG2-OD1 3.2Å; K224-D227 PolarHBondContact O-N 3.12Å; D227-W229 VanDerWaalsContact C-N 3.32Å; D227-W229 PolarHBondContact O-N 2.9Å; D227-S230 WeakPolarHBondContact O-CB 3.39Å; D227-S230 PolarHBondContact O-N 3.3Å; D227-L231 WeakPolarHBondContact O-CG 3.35Å; D227-L231 PolarHBondContact O-N 3.43Å
228	M	97.1	Very high	86.4	Confident	4 Å²	4	17.4 Å²	17.4	2%	0.02	9%	0.087	C	C	.	.	H	α-helix	trans	-66.1	-33.3	178.8	-56.6	-51.5	-53.1	0	0	112.9	I156 S225 C226 L231 G232 L287 R295 M296 V298 F301	I156-M228 HydrophobicContact CG2-SD 4.39Å; S225-M228 PolarHBondContact O-N 2.7Å; C226-M228 VanDerWaalsContact C-N 3.3Å; C226-M228 PolarHBondContact O-N 2.87Å; M228-L231 HydrophobicContact CE-CD1 3.77Å; M228-L231 HydrophobicContact SD-CD1 4.02Å; M228-G232 PolarHBondContact O-N 2.75Å; M228-L287 HydrophobicContact CB-CD2 4.38Å; M228-L287 HydrophobicContact CE-CD2 3.6Å; M228-L287 WeakPolarHBondContact O-CD2 3.45Å; M228-R295 HydrophobicContact CB-CG 4.32Å; M228-M296 WeakPolarHBondContact CB-O 3.37Å; M228-M296 WeakPolarHBondContact CE-O 3.39Å; M228-M296 VanDerWaalsContact CG-O 3.24Å; M228-M296 WeakPolarHBondContact CG-O 3.46Å; M228-V298 HydrophobicContact CE-CB 4.27Å; M228-V298 HydrophobicContact SD-CB 3.69Å; M228-V298 HydrophobicContact SD-CG2 4.3Å; M228-V298 PolarHBondContact SD-N 2.76Å; M228-F301 HydrophobicContact CE-CB 3.72Å; M228-F301 HydrophobicContact CE-CD2 4.46Å; M228-F301 HydrophobicContact CE-CG 4.17Å
229	W	93.6	Very high	88.5	Confident	8 Å²	8	16.6 Å²	16.6	3%	0.03	8%	0.078	C	C	.	.	H	α-helix	trans	-67.2	-44.2	171.6	177.7	-84.2	0	0	0	111.3	S225 C226 D227 L231 G232 V233 F245 I261 L288 M345	S225-W229 PolarHBondContact O-N 2.78Å; C226-W229 WeakPolarHBondContact O-CB 3.39Å; C226-W229 PolarHBondContact O-N 3.3Å; D227-W229 VanDerWaalsContact C-N 3.32Å; D227-W229 PolarHBondContact O-N 2.9Å; W229-L231 VanDerWaalsContact C-N 3.31Å; W229-L231 PolarHBondContact O-N 2.91Å; W229-G232 WeakPolarHBondContact O-CA 3.31Å; W229-G232 PolarHBondContact O-N 2.68Å; W229-V233 PolarHBondContact O-N 3.04Å; W229-F245 HydrophobicContact CH2-CE1 4.45Å; W229-F245 HydrophobicContact CH2-CE2 4.16Å; W229-F245 AromaticContact CH2-CZ 3.57Å; W229-F245 HydrophobicContact CH2-CZ 3.57Å; W229-F245 HydrophobicContact CZ2-CE1 4.49Å; W229-F245 AromaticContact CZ2-CE2 3.46Å; W229-F245 HydrophobicContact CZ2-CE2 3.46Å; W229-F245 VanDerWaalsContact CZ2-CE2 3.46Å; W229-F245 AromaticContact CZ2-CZ 3.37Å; W229-F245 HydrophobicContact CZ2-CZ 3.37Å; W229-I261 HydrophobicContact CH2-CG2 4.24Å; W229-I261 HydrophobicContact CZ2-CG2 3.86Å; W229-L288 HydrophobicContact CD2-CD2 3.85Å; W229-L288 HydrophobicContact CE3-CD2 3.97Å; W229-L288 HydrophobicContact CG-CD2 4.33Å; W229-L288 HydrophobicContact CH2-CD2 4.5Å; W229-L288 HydrophobicContact CZ2-CD2 4.37Å; W229-L288 HydrophobicContact CZ3-CB 4.31Å; W229-L288 HydrophobicContact CZ3-CD2 4.3Å; W229-L288 WeakPolarHBondContact CZ3-O 3.31Å; W229-M345 HydrophobicContact CB-CE 3.63Å; W229-M345 HydrophobicContact CB-SD 4.35Å; W229-M345 HydrophobicContact CD2-CE 3.62Å; W229-M345 HydrophobicContact CD2-SD 3.79Å; W229-M345 HydrophobicContact CE3-CE 4.04Å; W229-M345 HydrophobicContact CG-CE 3.45Å; W229-M345 VanDerWaalsContact CG-CE 3.45Å; W229-M345 HydrophobicContact CG-SD 3.64Å; W229-M345 HydrophobicContact CZ2-SD 4.41Å
230	S	95.1	Very high	90.1	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.007	6%	0.064	C	C	.	.	H	α-helix	trans	-55.5	-44.7	173.6	-70.1	0	0	0	0	112.3	V169 C226 D227 G232 V233 I234 L342	V169-S230 WeakPolarHBondContact O-CB 3.34Å; V169-S230 PolarHBondContact O-OG 3.2Å; C226-S230 PolarHBondContact O-N 3.39Å; D227-S230 WeakPolarHBondContact O-CB 3.39Å; D227-S230 PolarHBondContact O-N 3.3Å; S230-G232 VanDerWaalsContact C-N 3.27Å; S230-G232 PolarHBondContact O-N 2.95Å; S230-V233 PolarHBondContact O-N 2.96Å; S230-I234 WeakPolarHBondContact O-CB 3.45Å; S230-I234 WeakPolarHBondContact O-CD1 3.38Å; S230-I234 VanDerWaalsContact O-CG1 3.26Å; S230-I234 WeakPolarHBondContact O-CG1 3.42Å; S230-I234 PolarHBondContact O-N 3.27Å; S230-L342 VanDerWaalsContact OG-CD2 3.23Å; S230-L342 WeakPolarHBondContact OG-CD2 3.49Å
231	L	97.9	Very high	91.4	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-57.7	-41	174.8	-64.8	-178.5	0	0	0	111.5	M149 I152 I156 D227 M228 W229 T235 L287 F301	M149-L231 HydrophobicContact CE-CB 3.88Å; M149-L231 HydrophobicContact CE-CD2 3.68Å; M149-L231 HydrophobicContact CE-CG 4.31Å; I152-L231 HydrophobicContact CB-CD2 4.25Å; I152-L231 HydrophobicContact CG2-CD2 3.47Å; I152-L231 VanDerWaalsContact CG2-CD2 3.47Å; I156-L231 HydrophobicContact CG1-CD1 4.43Å; I156-L231 HydrophobicContact CG1-CD2 4.18Å; D227-L231 WeakPolarHBondContact O-CG 3.35Å; D227-L231 PolarHBondContact O-N 3.43Å; M228-L231 HydrophobicContact CE-CD1 3.77Å; M228-L231 HydrophobicContact SD-CD1 4.02Å; W229-L231 VanDerWaalsContact C-N 3.31Å; W229-L231 PolarHBondContact O-N 2.91Å; L231-T235 WeakPolarHBondContact O-CB 3.36Å; L231-T235 PolarHBondContact O-N 2.98Å; L231-T235 PolarHBondContact O-OG1 3.46Å; L231-L287 HydrophobicContact CB-CD1 4.46Å; L231-L287 HydrophobicContact CB-CD2 4.41Å; L231-F301 HydrophobicContact CB-CE2 4.45Å; L231-F301 HydrophobicContact CD1-CD1 4.3Å; L231-F301 HydrophobicContact CD1-CD2 4.36Å; L231-F301 HydrophobicContact CD1-CE1 4.25Å; L231-F301 HydrophobicContact CD1-CE2 4.28Å; L231-F301 HydrophobicContact CD1-CG 4.37Å; L231-F301 HydrophobicContact CD1-CZ 4.22Å
232	G	96.8	Very high	92.4	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-62.7	-44.1	175.7	0	0	0	0	0	113.5	M228 W229 S230 Y236	M228-G232 PolarHBondContact O-N 2.75Å; W229-G232 WeakPolarHBondContact O-CA 3.31Å; W229-G232 PolarHBondContact O-N 2.68Å; S230-G232 VanDerWaalsContact C-N 3.27Å; S230-G232 PolarHBondContact O-N 2.95Å; G232-Y236 WeakPolarHBondContact O-CB 3.16Å; G232-Y236 PolarHBondContact O-N 3.07Å
233	V	93.8	Very high	93.1	Very high	9 Å²	9	6.3 Å²	6.3	6%	0.055	3%	0.032	C	C	.	.	H	α-helix	trans	-67.7	-44	178	179.2	0	0	0	0	111.1	W229 S230 Y236 I237 P244 F245 L288 M338	W229-V233 PolarHBondContact O-N 3.04Å; S230-V233 PolarHBondContact O-N 2.96Å; V233-Y236 PolarHBondContact O-N 3.14Å; V233-I237 HydrophobicContact CG1-CD1 3.89Å; V233-I237 HydrophobicContact CG1-CG1 4.47Å; V233-I237 WeakPolarHBondContact O-CG1 3.45Å; V233-I237 PolarHBondContact O-N 3.25Å; V233-P244 HydrophobicContact CG1-CG 4.37Å; V233-P244 HydrophobicContact CG2-CG 4.32Å; V233-F245 HydrophobicContact CG2-CE2 4.36Å; V233-L288 HydrophobicContact CG2-CD2 3.81Å; V233-M338 HydrophobicContact CB-CE 4.22Å; V233-M338 HydrophobicContact CG1-CE 3.53Å; V233-M338 HydrophobicContact CG1-CG 4.42Å; V233-M338 HydrophobicContact CG1-SD 4.04Å
234	I	96.3	Very high	93.1	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-64.8	-43.5	178.5	-66.4	162.7	0	0	0	110.5	F129 M149 I152 V169 L174 S230 Y236 I237 L238 M338	F129-I234 HydrophobicContact CE2-CG2 4.32Å; F129-I234 HydrophobicContact CZ-CG2 4.12Å; M149-I234 HydrophobicContact SD-CB 4.35Å; M149-I234 HydrophobicContact SD-CG2 3.78Å; I152-I234 HydrophobicContact CD1-CG2 4.14Å; V169-I234 HydrophobicContact CG1-CD1 3.92Å; L174-I234 HydrophobicContact CD1-CD1 3.88Å; S230-I234 WeakPolarHBondContact O-CB 3.45Å; S230-I234 WeakPolarHBondContact O-CD1 3.38Å; S230-I234 VanDerWaalsContact O-CG1 3.26Å; S230-I234 WeakPolarHBondContact O-CG1 3.42Å; S230-I234 PolarHBondContact O-N 3.27Å; I234-Y236 VanDerWaalsContact C-N 3.3Å; I234-Y236 PolarHBondContact O-N 2.93Å; I234-I237 PolarHBondContact O-N 2.82Å; I234-L238 HydrophobicContact CG2-CD1 3.92Å; I234-L238 HydrophobicContact CG2-CG 4.27Å; I234-L238 WeakPolarHBondContact O-CB 3.13Å; I234-L238 VanDerWaalsContact O-CG 3.29Å; I234-L238 WeakPolarHBondContact O-CG 3.33Å; I234-L238 PolarHBondContact O-N 3.3Å; I234-M338 HydrophobicContact CG1-CE 4.28Å
235	T	97.8	Very high	92.2	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-57.9	-44.4	174.5	-52	0	0	0	0	110.7	M149 L231 L238 L239 I284 W306	M149-T235 VanDerWaalsContact CE-OG1 3.24Å; M149-T235 WeakPolarHBondContact CE-OG1 3.26Å; M149-T235 HydrophobicContact CG-CG2 4.39Å; M149-T235 PolarHBondContact SD-OG1 3.01Å; L231-T235 WeakPolarHBondContact O-CB 3.36Å; L231-T235 PolarHBondContact O-N 2.98Å; L231-T235 PolarHBondContact O-OG1 3.46Å; T235-L238 PolarHBondContact O-N 3.31Å; T235-L239 HydrophobicContact CG2-CD1 4.04Å; T235-L239 VanDerWaalsContact O-CG 3.31Å; T235-L239 WeakPolarHBondContact O-CG 3.41Å; T235-L239 PolarHBondContact O-N 3.46Å; T235-L239 VanDerWaalsContact O-N 3.16Å; T235-I284 HydrophobicContact CG2-CD1 4.05Å; T235-I284 HydrophobicContact CG2-CG1 3.88Å; T235-W306 HydrophobicContact CG2-CH2 4.03Å; T235-W306 HydrophobicContact CG2-CZ3 3.98Å
236	Y	96.3	Very high	90.8	Very high	4 Å²	4	7.9 Å²	7.9	2%	0.016	4%	0.037	C	C	.	.	H	α-helix	trans	-60.7	-49.7	178.3	-171.2	-74.8	0	0	0	111.6	G232 V233 I234 L238 L239 C240 F242 P244 Y266 G267 F268 W273 I284	G232-Y236 WeakPolarHBondContact O-CB 3.16Å; G232-Y236 PolarHBondContact O-N 3.07Å; V233-Y236 PolarHBondContact O-N 3.14Å; I234-Y236 VanDerWaalsContact C-N 3.3Å; I234-Y236 PolarHBondContact O-N 2.93Å; Y236-L238 VanDerWaalsContact C-N 3.34Å; Y236-L238 PolarHBondContact O-N 3.48Å; Y236-L239 PolarHBondContact O-N 3.4Å; Y236-L239 VanDerWaalsContact O-N 3.15Å; Y236-C240 WeakPolarHBondContact CE1-SG 3.35Å; Y236-C240 PolarHBondContact O-N 2.93Å; Y236-C240 PolarHBondContact O-SG 3.44Å; Y236-C240 VanDerWaalsContact O-SG 3.37Å; Y236-F242 WeakPolarHBondContact CD1-O 3.47Å; Y236-F242 AromaticContact CE1-CD2 3.93Å; Y236-F242 HydrophobicContact CE1-CD2 3.93Å; Y236-F242 AromaticContact CE1-CE2 3.72Å; Y236-F242 HydrophobicContact CE1-CE2 3.72Å; Y236-F242 HydrophobicContact CE1-CZ 4.49Å; Y236-F242 WeakPolarHBondContact CE1-O 3.29Å; Y236-F242 WeakPolarHBondContact OH-CE2 3.35Å; Y236-P244 HydrophobicContact CD1-CB 3.83Å; Y236-P244 HydrophobicContact CD1-CG 4.12Å; Y236-P244 HydrophobicContact CD2-CB 3.71Å; Y236-P244 HydrophobicContact CD2-CG 4.38Å; Y236-P244 VanDerWaalsContact CE1-CA 3.42Å; Y236-P244 HydrophobicContact CE1-CB 3.99Å; Y236-P244 HydrophobicContact CE2-CB 3.86Å; Y236-P244 HydrophobicContact CG-CB 3.7Å; Y236-P244 HydrophobicContact CG-CG 3.96Å; Y236-Y266 HydrophobicContact CD2-CD2 4.47Å; Y236-Y266 HydrophobicContact CE2-CD2 4.13Å; Y236-G267 WeakPolarHBondContact CE2-O 3.23Å; Y236-G267 PolarHBondContact OH-O 3.42Å; Y236-F268 HydrophobicContact CD2-CD1 4.36Å; Y236-F268 HydrophobicContact CD2-CE1 4.03Å; Y236-F268 AromaticContact CE2-CD1 3.82Å; Y236-F268 HydrophobicContact CE2-CD1 3.82Å; Y236-F268 AromaticContact CE2-CE1 3.9Å; Y236-F268 HydrophobicContact CE2-CE1 3.9Å; Y236-W273 AromaticContact CD1-CZ2 3.92Å; Y236-W273 HydrophobicContact CD1-CZ2 3.92Å; Y236-W273 AromaticContact CD2-CH2 3.82Å; Y236-W273 HydrophobicContact CD2-CH2 3.82Å; Y236-W273 AromaticContact CD2-CZ2 3.48Å; Y236-W273 HydrophobicContact CD2-CZ2 3.48Å; Y236-W273 VanDerWaalsContact CD2-CZ2 3.48Å; Y236-W273 AromaticContact CE1-CZ2 3.85Å; Y236-W273 HydrophobicContact CE1-CZ2 3.85Å; Y236-W273 AromaticContact CE2-CE2 3.9Å; Y236-W273 HydrophobicContact CE2-CH2 4.1Å; Y236-W273 AromaticContact CE2-CZ2 3.43Å; Y236-W273 HydrophobicContact CE2-CZ2 3.43Å; Y236-W273 VanDerWaalsContact CE2-CZ2 3.43Å; Y236-W273 HydrophobicContact CG-CH2 4.17Å; Y236-W273 AromaticContact CG-CZ2 3.73Å; Y236-W273 HydrophobicContact CG-CZ2 3.73Å; Y236-W273 AromaticContact CZ-CE2 3.83Å; Y236-W273 AromaticContact CZ-CZ2 3.6Å; Y236-W273 AromaticContact CZ-NE1 3.71Å; Y236-I284 HydrophobicContact CD2-CD1 4.19Å; Y236-I284 HydrophobicContact CD2-CG2 4.15Å
237	I	93.9	Very high	89	Confident	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-64.9	-37.9	179.1	-56.5	162.9	0	0	0	111.1	F129 V233 I234 L239 G241 P243 W331 M338	F129-I237 HydrophobicContact CD1-CG2 3.99Å; F129-I237 HydrophobicContact CE1-CB 3.87Å; F129-I237 HydrophobicContact CE1-CG2 3.39Å; F129-I237 HydrophobicContact CZ-CB 4Å; F129-I237 HydrophobicContact CZ-CG2 3.94Å; V233-I237 HydrophobicContact CG1-CD1 3.89Å; V233-I237 HydrophobicContact CG1-CG1 4.47Å; V233-I237 WeakPolarHBondContact O-CG1 3.45Å; V233-I237 PolarHBondContact O-N 3.25Å; I234-I237 PolarHBondContact O-N 2.82Å; I237-L239 PolarHBondContact O-N 2.93Å; I237-G241 WeakPolarHBondContact O-CA 3.37Å; I237-G241 PolarHBondContact O-N 3.03Å; I237-P243 HydrophobicContact CD1-CB 4.25Å; I237-P243 HydrophobicContact CG1-CB 4.19Å; I237-W331 HydrophobicContact CG2-CH2 3.92Å; I237-W331 HydrophobicContact CG2-CZ3 3.87Å; I237-M338 HydrophobicContact CD1-CE 4.2Å; I237-M338 HydrophobicContact CD1-SD 3.53Å; I237-M338 VanDerWaalsContact CD1-SD 3.53Å
238	L	95.9	Very high	86.3	Confident	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-61.3	-31.2	175.9	-74.4	171.9	0	0	0	112.5	L128 F129 I132 F140 A145 I148 M149 I234 T235 Y236 T320	L128-L238 HydrophobicContact CD2-CD2 4.33Å; F129-L238 HydrophobicContact CD1-CD2 4.5Å; F129-L238 HydrophobicContact CE1-CD2 3.72Å; F129-L238 HydrophobicContact CE1-CG 4.04Å; F129-L238 HydrophobicContact CZ-CD2 3.92Å; F129-L238 HydrophobicContact CZ-CG 3.95Å; I132-L238 HydrophobicContact CD1-CD2 3.36Å; F140-L238 HydrophobicContact CE1-CD2 4.29Å; F140-L238 WeakPolarHBondContact CE1-O 3.42Å; F140-L238 HydrophobicContact CZ-CD2 4.1Å; A145-L238 HydrophobicContact CB-CB 4.13Å; I148-L238 HydrophobicContact CB-CD1 4.43Å; I148-L238 HydrophobicContact CG2-CD1 3.66Å; I148-L238 HydrophobicContact CG2-CD2 4.43Å; M149-L238 HydrophobicContact CG-CD1 3.77Å; M149-L238 HydrophobicContact SD-CD1 3.65Å; I234-L238 HydrophobicContact CG2-CD1 3.92Å; I234-L238 HydrophobicContact CG2-CG 4.27Å; I234-L238 WeakPolarHBondContact O-CB 3.13Å; I234-L238 VanDerWaalsContact O-CG 3.29Å; I234-L238 WeakPolarHBondContact O-CG 3.33Å; I234-L238 PolarHBondContact O-N 3.3Å; T235-L238 PolarHBondContact O-N 3.31Å; Y236-L238 VanDerWaalsContact C-N 3.34Å; Y236-L238 PolarHBondContact O-N 3.48Å; L238-T320 WeakPolarHBondContact O-CB 3.49Å; L238-T320 VanDerWaalsContact O-CG2 3.27Å; L238-T320 WeakPolarHBondContact O-CG2 3.41Å; L238-T320 PolarHBondContact O-OG1 2.96Å
239	L	96.4	Very high	83.8	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-85.9	-25.3	-176.6	-67.9	175.8	0	0	0	114.6	E142 A145 T235 Y236 I237 W273 V276 A280 I284 W306 L318 T320	E142-L239 HydrophobicContact CG-CD2 3.81Å; A145-L239 HydrophobicContact CB-CD2 3.96Å; T235-L239 HydrophobicContact CG2-CD1 4.04Å; T235-L239 VanDerWaalsContact O-CG 3.31Å; T235-L239 WeakPolarHBondContact O-CG 3.41Å; T235-L239 PolarHBondContact O-N 3.46Å; T235-L239 VanDerWaalsContact O-N 3.16Å; Y236-L239 PolarHBondContact O-N 3.4Å; Y236-L239 VanDerWaalsContact O-N 3.15Å; I237-L239 PolarHBondContact O-N 2.93Å; L239-W273 HydrophobicContact CB-CH2 3.59Å; L239-W273 HydrophobicContact CB-CZ2 4.13Å; L239-W273 HydrophobicContact CB-CZ3 3.97Å; L239-W273 HydrophobicContact CD1-CH2 3.88Å; L239-W273 HydrophobicContact CD1-CZ3 3.85Å; L239-W273 HydrophobicContact CG-CH2 4.37Å; L239-V276 HydrophobicContact CD1-CG1 4.02Å; L239-V276 HydrophobicContact CD2-CG1 4.43Å; L239-A280 HydrophobicContact CD1-CB 3.77Å; L239-I284 HydrophobicContact CD1-CD1 3.96Å; L239-W306 HydrophobicContact CD1-CZ2 4.48Å; L239-W306 HydrophobicContact CD2-CZ2 4.06Å; L239-L318 HydrophobicContact CD2-CD1 3.92Å; L239-L318 HydrophobicContact CD2-CD2 4.17Å; L239-T320 PolarHBondContact O-OG1 3.48Å
240	C	92.1	Very high	81.3	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-133	-5.6	-178.9	69.6	0	0	0	0	116.3	Y236 F242 E272 W273 T320	Y236-C240 WeakPolarHBondContact CE1-SG 3.35Å; Y236-C240 PolarHBondContact O-N 2.93Å; Y236-C240 PolarHBondContact O-SG 3.44Å; Y236-C240 VanDerWaalsContact O-SG 3.37Å; C240-F242 HydrophobicContact CB-CD1 3.9Å; C240-F242 HydrophobicContact CB-CE1 3.57Å; C240-F242 HydrophobicContact CB-CZ 4Å; C240-F242 VanDerWaalsContact O-CD1 3.25Å; C240-F242 WeakPolarHBondContact O-CD1 3.26Å; C240-F242 VanDerWaalsContact SG-CD1 3.52Å; C240-F242 WeakPolarHBondContact SG-CE1 3.49Å; C240-F242 VanDerWaalsContact SG-CZ 3.53Å; C240-F242 PolarHBondContact SG-O 3.1Å; C240-E272 HydrophobicContact CB-CB 3.8Å; C240-E272 HydrophobicContact CB-CG 4.47Å; C240-W273 HydrophobicContact CB-CZ2 3.95Å; C240-W273 VanDerWaalsContact CB-NE1 3.25Å; C240-W273 PolarHBondContact SG-NE1 2.81Å; C240-W273 VanDerWaalsContact SG-NE1 3.36Å; C240-T320 PolarHBondContact N-OG1 3.05Å
241	G	90.3	Very high	78.6	Confident	4 Å²	4	29.4 Å²	29.4	4%	0.041	17%	0.169	C	C	.	.	S	Bend	trans	86.6	-0.7	179.9	0	0	0	0	0	115.9	I237 L324	I237-G241 WeakPolarHBondContact O-CA 3.37Å; I237-G241 PolarHBondContact O-N 3.03Å; G241-L324 VanDerWaalsContact O-CD2 3.29Å; G241-L324 WeakPolarHBondContact O-CD2 3.08Å
242	F	87.2	Confident	76	Confident	29 Å²	29	30.2 Å²	30.2	13%	0.127	18%	0.176	C	C	.	.	S	Bend	trans	-144.2	141.4	-168.2	72.2	-111.6	0	0	0	110.9	Y236 C240 Y246 P269 E272 W273 V323	Y236-F242 WeakPolarHBondContact CD1-O 3.47Å; Y236-F242 AromaticContact CE1-CD2 3.93Å; Y236-F242 HydrophobicContact CE1-CD2 3.93Å; Y236-F242 AromaticContact CE1-CE2 3.72Å; Y236-F242 HydrophobicContact CE1-CE2 3.72Å; Y236-F242 HydrophobicContact CE1-CZ 4.49Å; Y236-F242 WeakPolarHBondContact CE1-O 3.29Å; Y236-F242 WeakPolarHBondContact OH-CE2 3.35Å; C240-F242 HydrophobicContact CB-CD1 3.9Å; C240-F242 HydrophobicContact CB-CE1 3.57Å; C240-F242 HydrophobicContact CB-CZ 4Å; C240-F242 VanDerWaalsContact O-CD1 3.25Å; C240-F242 WeakPolarHBondContact O-CD1 3.26Å; C240-F242 VanDerWaalsContact SG-CD1 3.52Å; C240-F242 WeakPolarHBondContact SG-CE1 3.49Å; C240-F242 VanDerWaalsContact SG-CZ 3.53Å; C240-F242 PolarHBondContact SG-O 3.1Å; F242-Y246 HydrophobicContact CB-CD2 4.44Å; F242-Y246 HydrophobicContact CB-CE2 3.46Å; F242-Y246 VanDerWaalsContact CB-CE2 3.46Å; F242-Y246 AromaticContact CD2-CD2 3.78Å; F242-Y246 HydrophobicContact CD2-CD2 3.78Å; F242-Y246 AromaticContact CD2-CE2 3.63Å; F242-Y246 HydrophobicContact CD2-CE2 3.63Å; F242-Y246 HydrophobicContact CG-CD2 4.5Å; F242-Y246 AromaticContact CG-CE2 3.95Å; F242-Y246 HydrophobicContact CG-CE2 3.95Å; F242-P269 HydrophobicContact CE2-CG 4.25Å; F242-P269 HydrophobicContact CZ-CG 3.65Å; F242-E272 HydrophobicContact CE1-CB 4.12Å; F242-E272 HydrophobicContact CE1-CG 4.01Å; F242-W273 AromaticContact CZ-NE1 3.86Å; F242-V323 HydrophobicContact CB-CG1 4.22Å; F242-V323 HydrophobicContact CD1-CG1 4.22Å
243	P	87	Confident	73.5	Confident	12 Å²	12	37.1 Å²	37.1	8%	0.078	21%	0.212	C	C	.	.			trans	-62.5	154.7	-179.3	22.4	-37.3	0	0	0	116.2	I237 F245 Y246 V334	I237-P243 HydrophobicContact CD1-CB 4.25Å; I237-P243 HydrophobicContact CG1-CB 4.19Å; P243-F245 VanDerWaalsContact C-N 3.28Å; P243-F245 PolarHBondContact O-N 3.32Å; P243-F245 VanDerWaalsContact O-N 3.13Å; P243-Y246 HydrophobicContact CB-CE2 4.45Å; P243-Y246 WeakPolarHBondContact CD-OH 3.29Å; P243-Y246 HydrophobicContact CG-CD2 4.15Å; P243-Y246 HydrophobicContact CG-CE2 3.46Å; P243-Y246 VanDerWaalsContact CG-CE2 3.46Å; P243-Y246 WeakPolarHBondContact O-CD2 3.33Å; P243-Y246 WeakPolarHBondContact O-CE2 3.42Å; P243-V334 HydrophobicContact CB-CG1 4.43Å; P243-V334 HydrophobicContact CG-CB 4.43Å; P243-V334 HydrophobicContact CG-CG1 3.76Å; P243-V334 HydrophobicContact CG-CG2 3.88Å
244	P	82.3	Confident	71.2	Confident	8 Å²	8	37.8 Å²	37.8	5%	0.052	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-15.5	-173.9	17	-25.1	0	0	0	116.6	V233 Y236 Y266 L288	V233-P244 HydrophobicContact CG1-CG 4.37Å; V233-P244 HydrophobicContact CG2-CG 4.32Å; Y236-P244 HydrophobicContact CD1-CB 3.83Å; Y236-P244 HydrophobicContact CD1-CG 4.12Å; Y236-P244 HydrophobicContact CD2-CB 3.71Å; Y236-P244 HydrophobicContact CD2-CG 4.38Å; Y236-P244 VanDerWaalsContact CE1-CA 3.42Å; Y236-P244 HydrophobicContact CE1-CB 3.99Å; Y236-P244 HydrophobicContact CE2-CB 3.86Å; Y236-P244 HydrophobicContact CG-CB 3.7Å; Y236-P244 HydrophobicContact CG-CG 3.96Å; P244-Y266 HydrophobicContact CB-CD2 4.38Å; P244-Y266 HydrophobicContact CB-CG 4.17Å; P244-Y266 WeakPolarHBondContact O-CB 3.15Å; P244-L288 HydrophobicContact CB-CD1 4.13Å; P244-L288 HydrophobicContact CG-CD1 3.92Å
245	F	72.4	Confident	68.9	Low	12 Å²	12	43.7 Å²	43.7	5%	0.053	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	11.4	-162.8	-59.7	-65.9	0	0	0	115.9	W229 V233 P243 M257 R260 I261 Y266 L288	W229-F245 HydrophobicContact CH2-CE1 4.45Å; W229-F245 HydrophobicContact CH2-CE2 4.16Å; W229-F245 AromaticContact CH2-CZ 3.57Å; W229-F245 HydrophobicContact CH2-CZ 3.57Å; W229-F245 HydrophobicContact CZ2-CE1 4.49Å; W229-F245 AromaticContact CZ2-CE2 3.46Å; W229-F245 HydrophobicContact CZ2-CE2 3.46Å; W229-F245 VanDerWaalsContact CZ2-CE2 3.46Å; W229-F245 AromaticContact CZ2-CZ 3.37Å; W229-F245 HydrophobicContact CZ2-CZ 3.37Å; V233-F245 HydrophobicContact CG2-CE2 4.36Å; P243-F245 VanDerWaalsContact C-N 3.28Å; P243-F245 PolarHBondContact O-N 3.32Å; P243-F245 VanDerWaalsContact O-N 3.13Å; F245-M257 VanDerWaalsContact C-SD 3.57Å; F245-M257 HydrophobicContact CB-CE 4.4Å; F245-M257 HydrophobicContact CB-SD 3.31Å; F245-M257 WeakPolarHBondContact CB-SD 3.26Å; F245-M257 WeakPolarHBondContact O-CE 3.34Å; F245-R260 HydrophobicContact CD1-CB 4.43Å; F245-R260 VanDerWaalsContact O-CZ 3.23Å; F245-R260 PolarHBondContact O-NE 2.87Å; F245-R260 PolarHBondContact O-NH2 3.47Å; F245-I261 HydrophobicContact CB-CG1 4.13Å; F245-I261 HydrophobicContact CD1-CG1 3.98Å; F245-I261 HydrophobicContact CD2-CD1 4.21Å; F245-I261 HydrophobicContact CD2-CG1 3.57Å; F245-I261 HydrophobicContact CE1-CG1 4.28Å; F245-I261 HydrophobicContact CE2-CG1 3.91Å; F245-I261 HydrophobicContact CG-CD1 4.47Å; F245-I261 HydrophobicContact CG-CG1 3.62Å; F245-I261 HydrophobicContact CZ-CG1 4.27Å; F245-Y266 AromaticContact CE1-CD1 3.89Å; F245-Y266 HydrophobicContact CE1-CD1 3.89Å; F245-Y266 HydrophobicContact CE1-CG 4.42Å; F245-Y266 HydrophobicContact CZ-CD1 4.39Å; F245-L288 HydrophobicContact CZ-CD1 4.42Å
246	Y	60	Low	66.7	Low	72 Å²	72	44.8 Å²	44.8	28%	0.282	27%	0.267	S	S	.	.			trans	-39.1	150.1	-178.3	-86.2	-87.1	0	0	0	115.6	F242 P243 R260	F242-Y246 HydrophobicContact CB-CD2 4.44Å; F242-Y246 HydrophobicContact CB-CE2 3.46Å; F242-Y246 VanDerWaalsContact CB-CE2 3.46Å; F242-Y246 AromaticContact CD2-CD2 3.78Å; F242-Y246 HydrophobicContact CD2-CD2 3.78Å; F242-Y246 AromaticContact CD2-CE2 3.63Å; F242-Y246 HydrophobicContact CD2-CE2 3.63Å; F242-Y246 HydrophobicContact CG-CD2 4.5Å; F242-Y246 AromaticContact CG-CE2 3.95Å; F242-Y246 HydrophobicContact CG-CE2 3.95Å; P243-Y246 HydrophobicContact CB-CE2 4.45Å; P243-Y246 WeakPolarHBondContact CD-OH 3.29Å; P243-Y246 HydrophobicContact CG-CD2 4.15Å; P243-Y246 HydrophobicContact CG-CE2 3.46Å; P243-Y246 VanDerWaalsContact CG-CE2 3.46Å; P243-Y246 WeakPolarHBondContact O-CD2 3.33Å; P243-Y246 WeakPolarHBondContact O-CE2 3.42Å; Y246-R260 VanDerWaalsContact C-NH2 3.25Å; Y246-R260 PolarHBondContact O-NE 3.28Å; Y246-R260 VanDerWaalsContact O-NE 3.13Å; Y246-R260 PolarHBondContact O-NH2 3.07Å
247	S	50.8	Low	64.6	Low	8 Å²	8	45.4 Å²	45.4	6%	0.056	27%	0.27	C	S	.	.			trans	-76.8	134.5	167.4	89.3	0	0	0	0	111.1	T249 G250 Q251 S254 R260	S247-T249 WeakPolarHBondContact CB-OG1 3.23Å; S247-T249 PolarHBondContact O-N 3.27Å; S247-T249 PolarHBondContact OG-N 3.4Å; S247-T249 PolarHBondContact OG-OG1 3.12Å; S247-G250 PolarHBondContact O-N 3.48Å; S247-G250 VanDerWaalsContact O-N 3.11Å; S247-G250 PolarHBondContact OG-N 3.45Å; S247-Q251 WeakPolarHBondContact CB-O 3.15Å; S247-Q251 PolarHBondContact OG-N 3.17Å; S247-Q251 VanDerWaalsContact OG-N 3.16Å; S247-Q251 PolarHBondContact OG-O 2.96Å; S247-S254 WeakPolarHBondContact CB-OG 3.41Å; S247-R260 VanDerWaalsContact CA-NH2 3.33Å
248	N	39.6	Very low	62.8	Low	158 Å²	158	50.9 Å²	50.9	85%	0.845	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-0.4	169	-57.8	46.1	0	0	0	113.6
249	T	44.2	Very low	61	Low	104 Å²	104	58.8 Å²	58.8	64%	0.638	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	4.1	-179.6	36.6	0	0	0	0	113.1	S247 Q251	S247-T249 WeakPolarHBondContact CB-OG1 3.23Å; S247-T249 PolarHBondContact O-N 3.27Å; S247-T249 PolarHBondContact OG-N 3.4Å; S247-T249 PolarHBondContact OG-OG1 3.12Å; T249-Q251 PolarHBondContact O-N 2.64Å; T249-Q251 VanDerWaalsContact O-N 3.14Å
250	G	40.5	Very low	59.3	Low	70 Å²	70	60.4 Å²	60.4	72%	0.722	33%	0.33	S	S	*	.	S	Bend	trans	68.3	8.4	178.7	0	0	0	0	0	115	S247	S247-G250 PolarHBondContact O-N 3.48Å; S247-G250 VanDerWaalsContact O-N 3.11Å; S247-G250 PolarHBondContact OG-N 3.45Å
251	Q	39.1	Very low	57.8	Low	127 Å²	127	61.7 Å²	61.7	59%	0.593	34%	0.336	S	S	*	.			trans	-103.2	125	174.4	-65.5	-179.5	-16.2	0	0	108.6	S247 T249 I253	S247-Q251 WeakPolarHBondContact CB-O 3.15Å; S247-Q251 PolarHBondContact OG-N 3.17Å; S247-Q251 VanDerWaalsContact OG-N 3.16Å; S247-Q251 PolarHBondContact OG-O 2.96Å; T249-Q251 PolarHBondContact O-N 2.64Å; T249-Q251 VanDerWaalsContact O-N 3.14Å; Q251-I253 VanDerWaalsContact C-N 3.33Å; Q251-I253 PolarHBondContact O-N 3.21Å
252	A	43.6	Very low	56.3	Low	18 Å²	18	71.4 Å²	71.4	15%	0.149	37%	0.372	C	S	.	.	S	Bend	trans	-54.6	-54.3	173.1	0	0	0	0	0	110.2	S254 E333 E337	A252-S254 PolarHBondContact O-N 2.99Å; A252-E333 HydrophobicContact CB-CB 4.35Å; A252-E333 WeakPolarHBondContact CB-OE2 3.46Å; A252-E337 VanDerWaalsContact O-OE1 3.05Å
253	I	44	Very low	55	Low	144 Å²	144	74.4 Å²	74.4	74%	0.738	39%	0.387	S	S	*	.			trans	-76.1	90.8	-175	-48.7	175	0	0	0	111.8	Q251	Q251-I253 VanDerWaalsContact C-N 3.33Å; Q251-I253 PolarHBondContact O-N 3.21Å
254	S	46.1	Very low	53.7	Low	24 Å²	24	74.9 Å²	74.9	17%	0.168	39%	0.394	C	S	.	.			trans	-133.2	141.5	165.2	65.9	0	0	0	0	112.5	S247 A252 G256 M257	S247-S254 WeakPolarHBondContact CB-OG 3.41Å; A252-S254 PolarHBondContact O-N 2.99Å; S254-G256 PolarHBondContact O-N 3.2Å; S254-M257 VanDerWaalsContact O-CB 3.26Å; S254-M257 WeakPolarHBondContact O-CB 3.47Å; S254-M257 PolarHBondContact O-N 3.36Å
255	P	48.2	Very low	53.2	Low	123 Å²	123	79.4 Å²	79.4	80%	0.799	42%	0.415	S	S	*	.	H	α-helix	trans	-55.2	-19.9	168.6	-26.7	35.5	0	0	0	113.7	M257 R259	P255-M257 VanDerWaalsContact C-N 3.32Å; P255-M257 PolarHBondContact O-N 2.87Å; P255-R259 PolarHBondContact O-N 2.97Å
256	G	50.4	Low	53.7	Low	24 Å²	24	81.3 Å²	81.3	25%	0.247	42%	0.422	C	S	.	.	H	α-helix	trans	-62.4	-31	171.1	0	0	0	0	0	114.1	S254 R259 R260	S254-G256 PolarHBondContact O-N 3.2Å; G256-R259 CarbonylContact O-C 3.58Å; G256-R259 WeakPolarHBondContact O-CB 3.46Å; G256-R259 PolarHBondContact O-N 3.03Å; G256-R260 WeakPolarHBondContact O-CB 3.12Å; G256-R260 WeakPolarHBondContact O-CG 3.46Å; G256-R260 PolarHBondContact O-N 2.68Å
257	M	52.4	Low	54.9	Low	16 Å²	16	79.7 Å²	79.7	8%	0.079	43%	0.427	C	S	.	.	H	α-helix	trans	-59.5	-58.9	-179.7	179.7	62.3	73.6	0	0	111.9	F245 S254 P255 R259 R260 I261 E337	F245-M257 VanDerWaalsContact C-SD 3.57Å; F245-M257 HydrophobicContact CB-CE 4.4Å; F245-M257 HydrophobicContact CB-SD 3.31Å; F245-M257 WeakPolarHBondContact CB-SD 3.26Å; F245-M257 WeakPolarHBondContact O-CE 3.34Å; S254-M257 VanDerWaalsContact O-CB 3.26Å; S254-M257 WeakPolarHBondContact O-CB 3.47Å; S254-M257 PolarHBondContact O-N 3.36Å; P255-M257 VanDerWaalsContact C-N 3.32Å; P255-M257 PolarHBondContact O-N 2.87Å; M257-R259 PolarHBondContact O-N 3.39Å; M257-R260 PolarHBondContact O-N 3.12Å; M257-R260 VanDerWaalsContact O-N 3.11Å; M257-I261 HydrophobicContact CG-CD1 4.38Å; M257-I261 PolarHBondContact O-N 3.2Å; M257-I261 HydrophobicContact SD-CD1 4.46Å; M257-E337 WeakPolarHBondContact CE-OE2 3.27Å
258	K	55.8	Low	56.9	Low	116 Å²	116	81.4 Å²	81.4	50%	0.504	43%	0.434	S	S	.	.	H	α-helix	trans	-61.6	-27.1	176.2	-68.9	-178.8	177.3	178	0	112.5	R262	K258-R262 VanDerWaalsContact O-CG 3.3Å; K258-R262 WeakPolarHBondContact O-CG 3.41Å; K258-R262 PolarHBondContact O-N 3.07Å
259	R	57.7	Low	59.3	Low	166 Å²	166	76.8 Å²	76.8	63%	0.626	41%	0.412	S	S	*	.	H	α-helix	trans	-72.4	-46.2	173.8	-158.5	-174.4	-162.1	-150.4	4.1	111.6	P255 G256 M257 R262 M263	P255-R259 PolarHBondContact O-N 2.97Å; G256-R259 CarbonylContact O-C 3.58Å; G256-R259 WeakPolarHBondContact O-CB 3.46Å; G256-R259 PolarHBondContact O-N 3.03Å; M257-R259 PolarHBondContact O-N 3.39Å; R259-R262 PolarHBondContact O-N 3.02Å; R259-M263 HydrophobicContact CG-CE 3.92Å; R259-M263 HydrophobicContact CG-SD 3.84Å; R259-M263 WeakPolarHBondContact O-CB 3.5Å; R259-M263 VanDerWaalsContact O-CG 3.27Å; R259-M263 WeakPolarHBondContact O-CG 3.49Å; R259-M263 PolarHBondContact O-N 3.26Å
260	R	61.8	Low	61.3	Low	34 Å²	34	77.7 Å²	77.7	13%	0.128	41%	0.413	C	S	.	.	H	α-helix	trans	-62.5	-43.5	177.3	-78.8	-170.5	-62.9	-83.6	-10.1	111.9	F245 Y246 S247 G256 M257 R262 M263 G264 Q265	F245-R260 HydrophobicContact CD1-CB 4.43Å; F245-R260 VanDerWaalsContact O-CZ 3.23Å; F245-R260 PolarHBondContact O-NE 2.87Å; F245-R260 PolarHBondContact O-NH2 3.47Å; Y246-R260 VanDerWaalsContact C-NH2 3.25Å; Y246-R260 PolarHBondContact O-NE 3.28Å; Y246-R260 VanDerWaalsContact O-NE 3.13Å; Y246-R260 PolarHBondContact O-NH2 3.07Å; S247-R260 VanDerWaalsContact CA-NH2 3.33Å; G256-R260 WeakPolarHBondContact O-CB 3.12Å; G256-R260 WeakPolarHBondContact O-CG 3.46Å; G256-R260 PolarHBondContact O-N 2.68Å; M257-R260 PolarHBondContact O-N 3.12Å; M257-R260 VanDerWaalsContact O-N 3.11Å; R260-R262 PolarHBondContact O-N 3.03Å; R260-M263 CarbonylContact O-C 3.46Å; R260-M263 PolarHBondContact O-N 3.09Å; R260-M263 VanDerWaalsContact O-N 3.13Å; R260-G264 PolarHBondContact O-N 3.14Å; R260-Q265 HydrophobicContact CB-CB 4.12Å; R260-Q265 HydrophobicContact CG-CB 3.93Å; R260-Q265 PolarHBondContact O-N 3.41Å
261	I	61	Low	63.8	Low	26 Å²	26	77.9 Å²	77.9	13%	0.133	40%	0.402	C	S	.	.	H	α-helix	trans	-54.8	-51.6	171.9	-71	167.2	0	0	0	110.8	W229 F245 M257 M263 G264 A341	W229-I261 HydrophobicContact CH2-CG2 4.24Å; W229-I261 HydrophobicContact CZ2-CG2 3.86Å; F245-I261 HydrophobicContact CB-CG1 4.13Å; F245-I261 HydrophobicContact CD1-CG1 3.98Å; F245-I261 HydrophobicContact CD2-CD1 4.21Å; F245-I261 HydrophobicContact CD2-CG1 3.57Å; F245-I261 HydrophobicContact CE1-CG1 4.28Å; F245-I261 HydrophobicContact CE2-CG1 3.91Å; F245-I261 HydrophobicContact CG-CD1 4.47Å; F245-I261 HydrophobicContact CG-CG1 3.62Å; F245-I261 HydrophobicContact CZ-CG1 4.27Å; M257-I261 HydrophobicContact CG-CD1 4.38Å; M257-I261 PolarHBondContact O-N 3.2Å; M257-I261 HydrophobicContact SD-CD1 4.46Å; I261-M263 VanDerWaalsContact C-N 3.27Å; I261-M263 PolarHBondContact O-N 3.16Å; I261-G264 PolarHBondContact O-N 3.13Å; I261-A341 HydrophobicContact CD1-CB 4.17Å
262	R	58.3	Low	66.3	Low	208 Å²	208	73.4 Å²	73.4	79%	0.785	38%	0.381	S	S	*	.	H	α-helix	trans	-65.3	-26.8	178	-73.4	176.4	178.2	-167.3	-1.2	114	K258 R259 R260	K258-R262 VanDerWaalsContact O-CG 3.3Å; K258-R262 WeakPolarHBondContact O-CG 3.41Å; K258-R262 PolarHBondContact O-N 3.07Å; R259-R262 PolarHBondContact O-N 3.02Å; R260-R262 PolarHBondContact O-N 3.03Å
263	M	59.1	Low	68.7	Low	92 Å²	92	72.6 Å²	72.6	45%	0.453	37%	0.374	S	S	.	.	H	α-helix	trans	-95.5	-2.2	179.6	-69.5	179.7	168.8	0	0	113.5	R259 R260 I261 Q265	R259-M263 HydrophobicContact CG-CE 3.92Å; R259-M263 HydrophobicContact CG-SD 3.84Å; R259-M263 WeakPolarHBondContact O-CB 3.5Å; R259-M263 VanDerWaalsContact O-CG 3.27Å; R259-M263 WeakPolarHBondContact O-CG 3.49Å; R259-M263 PolarHBondContact O-N 3.26Å; R260-M263 CarbonylContact O-C 3.46Å; R260-M263 PolarHBondContact O-N 3.09Å; R260-M263 VanDerWaalsContact O-N 3.13Å; I261-M263 VanDerWaalsContact C-N 3.27Å; I261-M263 PolarHBondContact O-N 3.16Å; M263-Q265 HydrophobicContact CB-CB 4.48Å; M263-Q265 HydrophobicContact CB-CG 3.8Å; M263-Q265 PolarHBondContact O-N 3.46Å
264	G	60.4	Low	71.1	Confident	22 Å²	22	68.1 Å²	68.1	23%	0.227	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	22.3	-176	0	0	0	0	0	113.9	R260 I261 Y266 T290	R260-G264 PolarHBondContact O-N 3.14Å; I261-G264 PolarHBondContact O-N 3.13Å; G264-Y266 WeakPolarHBondContact O-CD1 3.24Å; G264-Y266 PolarHBondContact O-N 2.85Å; G264-T290 VanDerWaalsContact CA-CG2 3.43Å
265	Q	72.1	Confident	73.4	Confident	103 Å²	103	73.9 Å²	73.9	48%	0.481	38%	0.382	S	S	.	.			trans	-88.1	96	-171.9	-74.1	173.6	-4.8	0	0	111.1	R260 M263	R260-Q265 HydrophobicContact CB-CB 4.12Å; R260-Q265 HydrophobicContact CG-CB 3.93Å; R260-Q265 PolarHBondContact O-N 3.41Å; M263-Q265 HydrophobicContact CB-CB 4.48Å; M263-Q265 HydrophobicContact CB-CG 3.8Å; M263-Q265 PolarHBondContact O-N 3.46Å
266	Y	82.3	Confident	75.7	Confident	52 Å²	52	68.3 Å²	68.3	20%	0.204	35%	0.346	C	S	.	.			trans	-138.4	168.7	166.7	63.9	-82.2	0	0	0	109.2	Y236 P244 F245 G264 F268 I284 R285 L288	Y236-Y266 HydrophobicContact CD2-CD2 4.47Å; Y236-Y266 HydrophobicContact CE2-CD2 4.13Å; P244-Y266 HydrophobicContact CB-CD2 4.38Å; P244-Y266 HydrophobicContact CB-CG 4.17Å; P244-Y266 WeakPolarHBondContact O-CB 3.15Å; F245-Y266 AromaticContact CE1-CD1 3.89Å; F245-Y266 HydrophobicContact CE1-CD1 3.89Å; F245-Y266 HydrophobicContact CE1-CG 4.42Å; F245-Y266 HydrophobicContact CZ-CD1 4.39Å; G264-Y266 WeakPolarHBondContact O-CD1 3.24Å; G264-Y266 PolarHBondContact O-N 2.85Å; Y266-F268 HydrophobicContact CD2-CZ 4.46Å; Y266-F268 HydrophobicContact CE2-CE1 4.19Å; Y266-F268 HydrophobicContact CE2-CE2 4.24Å; Y266-F268 AromaticContact CE2-CZ 3.75Å; Y266-F268 HydrophobicContact CE2-CZ 3.75Å; Y266-I284 HydrophobicContact CE2-CG2 3.84Å; Y266-R285 VanDerWaalsContact OH-CA 3.27Å; Y266-R285 WeakPolarHBondContact OH-CA 3.23Å; Y266-L288 HydrophobicContact CD1-CD1 4.36Å; Y266-L288 HydrophobicContact CE1-CB 3.73Å; Y266-L288 HydrophobicContact CE1-CD1 4.02Å; Y266-L288 HydrophobicContact CE2-CD1 4.23Å
267	G	86.4	Confident	77.9	Confident	38 Å²	38	68 Å²	68	39%	0.392	34%	0.341	S	S	.	.			trans	-138.5	-174.9	176.7	0	0	0	0	0	110.9	Y236	Y236-G267 WeakPolarHBondContact CE2-O 3.23Å; Y236-G267 PolarHBondContact OH-O 3.42Å
268	F	92.8	Very high	80	Confident	45 Å²	45	71.9 Å²	71.9	20%	0.197	36%	0.358	C	S	.	.			trans	-125	81.4	176.5	-59.6	-69.9	0	0	0	107.4	Y236 Y266 W273 K281 I284 R285	Y236-F268 HydrophobicContact CD2-CD1 4.36Å; Y236-F268 HydrophobicContact CD2-CE1 4.03Å; Y236-F268 AromaticContact CE2-CD1 3.82Å; Y236-F268 HydrophobicContact CE2-CD1 3.82Å; Y236-F268 AromaticContact CE2-CE1 3.9Å; Y236-F268 HydrophobicContact CE2-CE1 3.9Å; Y266-F268 HydrophobicContact CD2-CZ 4.46Å; Y266-F268 HydrophobicContact CE2-CE1 4.19Å; Y266-F268 HydrophobicContact CE2-CE2 4.24Å; Y266-F268 AromaticContact CE2-CZ 3.75Å; Y266-F268 HydrophobicContact CE2-CZ 3.75Å; F268-W273 HydrophobicContact CB-CB 3.78Å; F268-W273 HydrophobicContact CB-CD2 3.86Å; F268-W273 HydrophobicContact CB-CE3 4.14Å; F268-W273 HydrophobicContact CB-CG 3.69Å; F268-W273 AromaticContact CD1-CD2 3.54Å; F268-W273 HydrophobicContact CD1-CD2 3.54Å; F268-W273 AromaticContact CD1-CE2 3.8Å; F268-W273 AromaticContact CD1-CE3 3.38Å; F268-W273 HydrophobicContact CD1-CE3 3.38Å; F268-W273 HydrophobicContact CD1-CG 4.28Å; F268-W273 AromaticContact CD1-CH2 3.82Å; F268-W273 HydrophobicContact CD1-CH2 3.82Å; F268-W273 AromaticContact CD1-CZ2 3.95Å; F268-W273 HydrophobicContact CD1-CZ2 3.95Å; F268-W273 AromaticContact CD1-CZ3 3.52Å; F268-W273 HydrophobicContact CD1-CZ3 3.52Å; F268-W273 HydrophobicContact CE1-CE3 4.08Å; F268-W273 AromaticContact CE1-CH2 3.9Å; F268-W273 HydrophobicContact CE1-CH2 3.9Å; F268-W273 HydrophobicContact CE1-CZ2 4.35Å; F268-W273 AromaticContact CE1-CZ3 3.73Å; F268-W273 HydrophobicContact CE1-CZ3 3.73Å; F268-W273 HydrophobicContact CG-CD2 4.16Å; F268-W273 HydrophobicContact CG-CE3 4.09Å; F268-W273 HydrophobicContact CG-CG 4.49Å; F268-K281 HydrophobicContact CD1-CG 4.09Å; F268-K281 HydrophobicContact CD2-CB 4.35Å; F268-K281 HydrophobicContact CD2-CG 4.18Å; F268-K281 HydrophobicContact CE1-CB 4.33Å; F268-K281 HydrophobicContact CE1-CG 4.13Å; F268-K281 HydrophobicContact CE2-CB 3.97Å; F268-K281 HydrophobicContact CE2-CG 4.25Å; F268-K281 HydrophobicContact CG-CG 4.09Å; F268-K281 HydrophobicContact CZ-CB 3.93Å; F268-K281 HydrophobicContact CZ-CG 4.2Å; F268-I284 HydrophobicContact CE1-CB 4.32Å; F268-I284 HydrophobicContact CE1-CD1 4.13Å; F268-I284 HydrophobicContact CE1-CG2 4.03Å; F268-I284 HydrophobicContact CZ-CB 4.23Å; F268-I284 HydrophobicContact CZ-CG2 4.01Å; F268-R285 HydrophobicContact CE2-CG 4.21Å; F268-R285 HydrophobicContact CZ-CG 4.3Å
269	P	88.6	Confident	81.9	Confident	60 Å²	60	71.4 Å²	71.4	39%	0.39	36%	0.358	S	S	.	.			trans	-75.8	153.1	-170.2	32	-38.1	0	0	0	112.8	F242 W273	F242-P269 HydrophobicContact CE2-CG 4.25Å; F242-P269 HydrophobicContact CZ-CG 3.65Å; P269-W273 VanDerWaalsContact CD-CD1 3.48Å; P269-W273 WeakPolarHBondContact O-CB 3.5Å; P269-W273 VanDerWaalsContact O-CD1 3.27Å; P269-W273 PolarHBondContact O-N 2.67Å; P269-W273 VanDerWaalsContact O-N 3.09Å
270	N	87.7	Confident	83.8	Confident	123 Å²	123	63.5 Å²	63.5	66%	0.658	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	150.9	171.3	-68.8	-19.6	0	0	0	110.4
271	P	92.2	Very high	85.5	Confident	75 Å²	75	63 Å²	63	49%	0.487	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	cis	-81.9	-20.2	5.4	32.2	-35.8	0	0	0	115.2	W273 A274	P271-W273 PolarHBondContact O-N 3.04Å; P271-W273 VanDerWaalsContact O-N 3.08Å; P271-A274 VanDerWaalsContact O-CB 3.29Å; P271-A274 WeakPolarHBondContact O-CB 3.32Å; P271-A274 PolarHBondContact O-N 2.65Å
272	E	91.8	Very high	87.2	Confident	32 Å²	32	66.1 Å²	66.1	15%	0.15	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-29.5	-164.4	-67.6	68.5	-148.3	0	0	114.2	C240 F242 H319 R322 V323	C240-E272 HydrophobicContact CB-CB 3.8Å; C240-E272 HydrophobicContact CB-CG 4.47Å; F242-E272 HydrophobicContact CE1-CB 4.12Å; F242-E272 HydrophobicContact CE1-CG 4.01Å; E272-H319 HydrophobicContact CG-CB 3.83Å; E272-R322 IonicContact OE1-NH2 3.16Å; E272-V323 HydrophobicContact CG-CG2 4.35Å
273	W	94.7	Very high	89.1	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.008	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	5.4	179.3	-68	85.5	0	0	0	114.8	Y236 L239 C240 F242 F268 P269 P271 V276 K281 I284	Y236-W273 AromaticContact CD1-CZ2 3.92Å; Y236-W273 HydrophobicContact CD1-CZ2 3.92Å; Y236-W273 AromaticContact CD2-CH2 3.82Å; Y236-W273 HydrophobicContact CD2-CH2 3.82Å; Y236-W273 AromaticContact CD2-CZ2 3.48Å; Y236-W273 HydrophobicContact CD2-CZ2 3.48Å; Y236-W273 VanDerWaalsContact CD2-CZ2 3.48Å; Y236-W273 AromaticContact CE1-CZ2 3.85Å; Y236-W273 HydrophobicContact CE1-CZ2 3.85Å; Y236-W273 AromaticContact CE2-CE2 3.9Å; Y236-W273 HydrophobicContact CE2-CH2 4.1Å; Y236-W273 AromaticContact CE2-CZ2 3.43Å; Y236-W273 HydrophobicContact CE2-CZ2 3.43Å; Y236-W273 VanDerWaalsContact CE2-CZ2 3.43Å; Y236-W273 HydrophobicContact CG-CH2 4.17Å; Y236-W273 AromaticContact CG-CZ2 3.73Å; Y236-W273 HydrophobicContact CG-CZ2 3.73Å; Y236-W273 AromaticContact CZ-CE2 3.83Å; Y236-W273 AromaticContact CZ-CZ2 3.6Å; Y236-W273 AromaticContact CZ-NE1 3.71Å; L239-W273 HydrophobicContact CB-CH2 3.59Å; L239-W273 HydrophobicContact CB-CZ2 4.13Å; L239-W273 HydrophobicContact CB-CZ3 3.97Å; L239-W273 HydrophobicContact CD1-CH2 3.88Å; L239-W273 HydrophobicContact CD1-CZ3 3.85Å; L239-W273 HydrophobicContact CG-CH2 4.37Å; C240-W273 HydrophobicContact CB-CZ2 3.95Å; C240-W273 VanDerWaalsContact CB-NE1 3.25Å; C240-W273 PolarHBondContact SG-NE1 2.81Å; C240-W273 VanDerWaalsContact SG-NE1 3.36Å; F242-W273 AromaticContact CZ-NE1 3.86Å; F268-W273 HydrophobicContact CB-CB 3.78Å; F268-W273 HydrophobicContact CB-CD2 3.86Å; F268-W273 HydrophobicContact CB-CE3 4.14Å; F268-W273 HydrophobicContact CB-CG 3.69Å; F268-W273 AromaticContact CD1-CD2 3.54Å; F268-W273 HydrophobicContact CD1-CD2 3.54Å; F268-W273 AromaticContact CD1-CE2 3.8Å; F268-W273 AromaticContact CD1-CE3 3.38Å; F268-W273 HydrophobicContact CD1-CE3 3.38Å; F268-W273 HydrophobicContact CD1-CG 4.28Å; F268-W273 AromaticContact CD1-CH2 3.82Å; F268-W273 HydrophobicContact CD1-CH2 3.82Å; F268-W273 AromaticContact CD1-CZ2 3.95Å; F268-W273 HydrophobicContact CD1-CZ2 3.95Å; F268-W273 AromaticContact CD1-CZ3 3.52Å; F268-W273 HydrophobicContact CD1-CZ3 3.52Å; F268-W273 HydrophobicContact CE1-CE3 4.08Å; F268-W273 AromaticContact CE1-CH2 3.9Å; F268-W273 HydrophobicContact CE1-CH2 3.9Å; F268-W273 HydrophobicContact CE1-CZ2 4.35Å; F268-W273 AromaticContact CE1-CZ3 3.73Å; F268-W273 HydrophobicContact CE1-CZ3 3.73Å; F268-W273 HydrophobicContact CG-CD2 4.16Å; F268-W273 HydrophobicContact CG-CE3 4.09Å; F268-W273 HydrophobicContact CG-CG 4.49Å; P269-W273 VanDerWaalsContact CD-CD1 3.48Å; P269-W273 WeakPolarHBondContact O-CB 3.5Å; P269-W273 VanDerWaalsContact O-CD1 3.27Å; P269-W273 PolarHBondContact O-N 2.67Å; P269-W273 VanDerWaalsContact O-N 3.09Å; P271-W273 PolarHBondContact O-N 3.04Å; P271-W273 VanDerWaalsContact O-N 3.08Å; W273-V276 HydrophobicContact CE3-CB 3.94Å; W273-V276 HydrophobicContact CE3-CG1 3.75Å; W273-V276 HydrophobicContact CE3-CG2 4.17Å; W273-V276 HydrophobicContact CZ3-CB 4.44Å; W273-V276 HydrophobicContact CZ3-CG1 3.75Å; W273-K281 HydrophobicContact CE3-CG 3.96Å; W273-K281 HydrophobicContact CZ3-CG 4.1Å; W273-K281 VanDerWaalsContact O-CE 3.23Å; W273-K281 WeakPolarHBondContact O-CE 3.34Å; W273-K281 PolarHBondContact O-NZ 3.38Å; W273-I284 HydrophobicContact CH2-CD1 3.46Å; W273-I284 VanDerWaalsContact CH2-CD1 3.46Å; W273-I284 HydrophobicContact CZ3-CD1 3.92Å
274	A	94.2	Very high	90.9	Very high	49 Å²	49	51.9 Å²	51.9	41%	0.405	28%	0.282	S	S	.	.	S	Bend	trans	-61.6	-51.7	-177.4	0	0	0	0	0	111.7	P271	P271-A274 VanDerWaalsContact O-CB 3.29Å; P271-A274 WeakPolarHBondContact O-CB 3.32Å; P271-A274 PolarHBondContact O-N 2.65Å
275	E	94.1	Very high	92.6	Very high	145 Å²	145	55.5 Å²	55.5	68%	0.678	29%	0.289	S	S	*	.	S	Bend	trans	-90.8	-6.6	-174.5	-55.7	-57.6	124.6	0	0	114.1	T316	E275-T316 HydrophobicContact CB-CG2 3.68Å
276	V	96.3	Very high	93.8	Very high	6 Å²	6	54 Å²	54	4%	0.036	28%	0.282	C	S	.	.	S	Bend	trans	-71.4	134.3	179.9	176.9	0	0	0	0	110.6	L239 W273 A280 K281 L318	L239-V276 HydrophobicContact CD1-CG1 4.02Å; L239-V276 HydrophobicContact CD2-CG1 4.43Å; W273-V276 HydrophobicContact CE3-CB 3.94Å; W273-V276 HydrophobicContact CE3-CG1 3.75Å; W273-V276 HydrophobicContact CE3-CG2 4.17Å; W273-V276 HydrophobicContact CZ3-CB 4.44Å; W273-V276 HydrophobicContact CZ3-CG1 3.75Å; V276-A280 HydrophobicContact CG1-CB 3.94Å; V276-K281 VanDerWaalsContact O-CE 3.32Å; V276-K281 WeakPolarHBondContact O-CE 3.42Å; V276-K281 PolarHBondContact O-NZ 3.44Å; V276-L318 HydrophobicContact CG2-CD2 3.94Å
277	S	96.9	Very high	94.4	Very high	19 Å²	19	51.5 Å²	51.5	13%	0.133	27%	0.272	C	S	.	.			trans	-57.7	149.7	-176.7	72.3	0	0	0	0	114.1	E142 E279 A280 K281	E142-S277 VanDerWaalsContact OE1-CB 3.26Å; E142-S277 WeakPolarHBondContact OE1-CB 3.38Å; E142-S277 PolarHBondContact OE1-OG 3.04Å; E142-S277 PolarHBondContact OE2-N 3.26Å; S277-E279 VanDerWaalsContact C-N 3.26Å; S277-E279 PolarHBondContact O-N 2.95Å; S277-A280 PolarHBondContact O-N 3.13Å; S277-A280 VanDerWaalsContact OG-CB 3.31Å; S277-A280 WeakPolarHBondContact OG-CB 3.46Å; S277-A280 PolarHBondContact OG-N 3.23Å; S277-A280 VanDerWaalsContact OG-N 3.1Å; S277-K281 WeakPolarHBondContact O-CG 3.5Å; S277-K281 PolarHBondContact O-N 3.13Å
278	E	96.1	Very high	94.7	Very high	97 Å²	97	49.8 Å²	49.8	45%	0.453	25%	0.254	S	S	.	.	H	α-helix	trans	-71.7	-26.2	175.6	-170.6	54.3	-143.4	0	0	111.2	K281 Q282 R285	E278-K281 PolarHBondContact O-N 3.29Å; E278-K281 VanDerWaalsContact OE2-CD 3.23Å; E278-K281 WeakPolarHBondContact OE2-CD 3.24Å; E278-Q282 VanDerWaalsContact O-CB 3.23Å; E278-Q282 WeakPolarHBondContact O-CB 3.37Å; E278-Q282 PolarHBondContact O-N 2.71Å; E278-R285 IonicContact OE1-CZ 2.69Å; E278-R285 IonicContact OE1-NH1 2.81Å; E278-R285 PolarHBondContact OE1-NH1 2.96Å; E278-R285 IonicContact OE1-NH2 3.62Å; E278-R285 PolarHBondContact OE1-NH2 3.42Å; E278-R285 IonicContact OE2-NH2 3.59Å
279	E	96	Very high	94.5	Very high	105 Å²	105	51 Å²	51	49%	0.491	26%	0.259	S	S	.	.	H	α-helix	trans	-59.8	-43.8	169.7	-68.4	75.8	-173.6	0	0	111.8	S277 Q282 L283 H304	S277-E279 VanDerWaalsContact C-N 3.26Å; S277-E279 PolarHBondContact O-N 2.95Å; E279-Q282 PolarHBondContact O-N 3.07Å; E279-L283 PolarHBondContact O-N 3.43Å; E279-H304 PolarHBondContact O-CE1 3.26Å
280	A	97.2	Very high	94.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-66	-44.8	175.3	0	0	0	0	0	111.7	L239 V276 S277 Q282 L283 I284 W306	L239-A280 HydrophobicContact CD1-CB 3.77Å; V276-A280 HydrophobicContact CG1-CB 3.94Å; S277-A280 PolarHBondContact O-N 3.13Å; S277-A280 VanDerWaalsContact OG-CB 3.31Å; S277-A280 WeakPolarHBondContact OG-CB 3.46Å; S277-A280 PolarHBondContact OG-N 3.23Å; S277-A280 VanDerWaalsContact OG-N 3.1Å; A280-Q282 VanDerWaalsContact C-N 3.3Å; A280-Q282 PolarHBondContact O-N 2.76Å; A280-L283 WeakPolarHBondContact O-CB 3.45Å; A280-L283 PolarHBondContact O-N 2.94Å; A280-I284 PolarHBondContact O-N 3.02Å; A280-I284 VanDerWaalsContact O-N 3.12Å; A280-W306 HydrophobicContact CB-CD2 4.41Å; A280-W306 HydrophobicContact CB-CG 4.47Å; A280-W306 HydrophobicContact CB-CZ2 4.37Å
281	K	97.2	Very high	94	Very high	25 Å²	25	48.8 Å²	48.8	11%	0.109	25%	0.246	C	C	.	.	H	α-helix	trans	-60.3	-39.9	174.5	-68	160.5	178.6	156.1	0	111.2	F268 W273 V276 S277 E278 I284 R285	F268-K281 HydrophobicContact CD1-CG 4.09Å; F268-K281 HydrophobicContact CD2-CB 4.35Å; F268-K281 HydrophobicContact CD2-CG 4.18Å; F268-K281 HydrophobicContact CE1-CB 4.33Å; F268-K281 HydrophobicContact CE1-CG 4.13Å; F268-K281 HydrophobicContact CE2-CB 3.97Å; F268-K281 HydrophobicContact CE2-CG 4.25Å; F268-K281 HydrophobicContact CG-CG 4.09Å; F268-K281 HydrophobicContact CZ-CB 3.93Å; F268-K281 HydrophobicContact CZ-CG 4.2Å; W273-K281 HydrophobicContact CE3-CG 3.96Å; W273-K281 HydrophobicContact CZ3-CG 4.1Å; W273-K281 VanDerWaalsContact O-CE 3.23Å; W273-K281 WeakPolarHBondContact O-CE 3.34Å; W273-K281 PolarHBondContact O-NZ 3.38Å; V276-K281 VanDerWaalsContact O-CE 3.32Å; V276-K281 WeakPolarHBondContact O-CE 3.42Å; V276-K281 PolarHBondContact O-NZ 3.44Å; S277-K281 WeakPolarHBondContact O-CG 3.5Å; S277-K281 PolarHBondContact O-N 3.13Å; E278-K281 PolarHBondContact O-N 3.29Å; E278-K281 VanDerWaalsContact OE2-CD 3.23Å; E278-K281 WeakPolarHBondContact OE2-CD 3.24Å; K281-I284 PolarHBondContact O-N 2.85Å; K281-R285 VanDerWaalsContact C-NH1 3.31Å; K281-R285 WeakPolarHBondContact O-CG 3.33Å; K281-R285 PolarHBondContact O-N 2.99Å; K281-R285 PolarHBondContact O-NH1 3.44Å
282	Q	97	Very high	93.5	Very high	91 Å²	91	46.5 Å²	46.5	43%	0.425	23%	0.232	S	C	.	.	H	α-helix	trans	-65.4	-43.3	176.4	-169.5	-169.3	36.6	0	0	112	E278 E279 A280 I284 R285 H286	E278-Q282 VanDerWaalsContact O-CB 3.23Å; E278-Q282 WeakPolarHBondContact O-CB 3.37Å; E278-Q282 PolarHBondContact O-N 2.71Å; E279-Q282 PolarHBondContact O-N 3.07Å; A280-Q282 VanDerWaalsContact C-N 3.3Å; A280-Q282 PolarHBondContact O-N 2.76Å; Q282-I284 VanDerWaalsContact C-N 3.34Å; Q282-I284 PolarHBondContact O-N 2.8Å; Q282-R285 PolarHBondContact O-N 3.27Å; Q282-H286 PolarHBondContact O-N 3.22Å; Q282-H286 VanDerWaalsContact O-N 3.16Å; Q282-H286 PolarHBondContact O-ND1 3.24Å; Q282-H286 VanDerWaalsContact O-ND1 3.09Å
283	L	97.9	Very high	93	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-56.2	-48.9	175.3	-180	57.8	0	0	0	111.3	E279 A280 R285 H286 L287 M296 F301 H304 W306 I307	E279-L283 PolarHBondContact O-N 3.43Å; A280-L283 WeakPolarHBondContact O-CB 3.45Å; A280-L283 PolarHBondContact O-N 2.94Å; L283-R285 VanDerWaalsContact C-N 3.33Å; L283-R285 PolarHBondContact O-N 3.48Å; L283-H286 PolarHBondContact O-N 3.28Å; L283-H286 VanDerWaalsContact O-N 3.14Å; L283-L287 HydrophobicContact CD1-CD1 3.98Å; L283-L287 HydrophobicContact CD1-CG 4.36Å; L283-L287 HydrophobicContact CG-CD1 3.84Å; L283-L287 WeakPolarHBondContact O-CG 3.27Å; L283-L287 PolarHBondContact O-N 3.44Å; L283-L287 VanDerWaalsContact O-N 3.07Å; L283-M296 HydrophobicContact CD1-CE 3.92Å; L283-M296 HydrophobicContact CD1-SD 3.55Å; L283-M296 VanDerWaalsContact CD1-SD 3.55Å; L283-F301 HydrophobicContact CD1-CD2 3.89Å; L283-F301 HydrophobicContact CD1-CE2 4.29Å; L283-F301 HydrophobicContact CD2-CE2 4.14Å; L283-H304 HydrophobicContact CD1-CB 4.12Å; L283-W306 HydrophobicContact CD2-CB 4.48Å; L283-W306 HydrophobicContact CD2-CD2 4.18Å; L283-W306 HydrophobicContact CD2-CE3 3.38Å; L283-W306 HydrophobicContact CD2-CZ3 3.96Å; L283-I307 HydrophobicContact CD2-CD1 4.12Å; L283-I307 HydrophobicContact CD2-CG1 3.94Å
284	I	97.6	Very high	92.7	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.4	-43.3	177.1	-69.8	170.7	0	0	0	111.2	T235 Y236 L239 Y266 F268 W273 A280 K281 Q282 H286 L287 L288	T235-I284 HydrophobicContact CG2-CD1 4.05Å; T235-I284 HydrophobicContact CG2-CG1 3.88Å; Y236-I284 HydrophobicContact CD2-CD1 4.19Å; Y236-I284 HydrophobicContact CD2-CG2 4.15Å; L239-I284 HydrophobicContact CD1-CD1 3.96Å; Y266-I284 HydrophobicContact CE2-CG2 3.84Å; F268-I284 HydrophobicContact CE1-CB 4.32Å; F268-I284 HydrophobicContact CE1-CD1 4.13Å; F268-I284 HydrophobicContact CE1-CG2 4.03Å; F268-I284 HydrophobicContact CZ-CB 4.23Å; F268-I284 HydrophobicContact CZ-CG2 4.01Å; W273-I284 HydrophobicContact CH2-CD1 3.46Å; W273-I284 VanDerWaalsContact CH2-CD1 3.46Å; W273-I284 HydrophobicContact CZ3-CD1 3.92Å; A280-I284 PolarHBondContact O-N 3.02Å; A280-I284 VanDerWaalsContact O-N 3.12Å; K281-I284 PolarHBondContact O-N 2.85Å; Q282-I284 VanDerWaalsContact C-N 3.34Å; Q282-I284 PolarHBondContact O-N 2.8Å; I284-H286 PolarHBondContact O-N 3.47Å; I284-L287 PolarHBondContact O-N 2.85Å; I284-L287 VanDerWaalsContact O-N 3.13Å; I284-L288 HydrophobicContact CG2-CD1 3.66Å; I284-L288 HydrophobicContact CG2-CG 4.13Å; I284-L288 WeakPolarHBondContact O-CB 3.45Å; I284-L288 PolarHBondContact O-N 2.91Å
285	R	95.6	Very high	92.6	Very high	99 Å²	99	51 Å²	51	37%	0.374	25%	0.247	S	C	.	.	H	α-helix	trans	-58.7	-33.5	176.6	-70.7	-174.7	-154.7	98.6	-11.4	113.6	Y266 F268 E278 K281 Q282 L283 K289	Y266-R285 VanDerWaalsContact OH-CA 3.27Å; Y266-R285 WeakPolarHBondContact OH-CA 3.23Å; F268-R285 HydrophobicContact CE2-CG 4.21Å; F268-R285 HydrophobicContact CZ-CG 4.3Å; E278-R285 IonicContact OE1-CZ 2.69Å; E278-R285 IonicContact OE1-NH1 2.81Å; E278-R285 PolarHBondContact OE1-NH1 2.96Å; E278-R285 IonicContact OE1-NH2 3.62Å; E278-R285 PolarHBondContact OE1-NH2 3.42Å; E278-R285 IonicContact OE2-NH2 3.59Å; K281-R285 VanDerWaalsContact C-NH1 3.31Å; K281-R285 WeakPolarHBondContact O-CG 3.33Å; K281-R285 PolarHBondContact O-N 2.99Å; K281-R285 PolarHBondContact O-NH1 3.44Å; Q282-R285 PolarHBondContact O-N 3.27Å; L283-R285 VanDerWaalsContact C-N 3.33Å; L283-R285 PolarHBondContact O-N 3.48Å; R285-K289 WeakPolarHBondContact O-CG 3.38Å
286	H	96.5	Very high	92.7	Very high	70 Å²	70	45 Å²	45	32%	0.324	22%	0.219	S	C	.	.	H	α-helix	trans	-80.3	-29.4	176.2	-63.4	131	0	0	0	113.9	Q282 L283 I284 M296	Q282-H286 PolarHBondContact O-N 3.22Å; Q282-H286 VanDerWaalsContact O-N 3.16Å; Q282-H286 PolarHBondContact O-ND1 3.24Å; Q282-H286 VanDerWaalsContact O-ND1 3.09Å; L283-H286 PolarHBondContact O-N 3.28Å; L283-H286 VanDerWaalsContact O-N 3.14Å; I284-H286 PolarHBondContact O-N 3.47Å; H286-M296 HydrophobicContact CB-CB 4Å; H286-M296 HydrophobicContact CB-CE 3.69Å; H286-M296 HydrophobicContact CB-SD 4.34Å; H286-M296 WeakPolarHBondContact O-CB 3.23Å; H286-M296 PolarHBondContact O-N 3.16Å
287	L	96.1	Very high	92.6	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-80	-37.6	177.6	-67.8	166	0	0	0	112.8	M228 L231 L283 I284 K289 R295 M296 F301	M228-L287 HydrophobicContact CB-CD2 4.38Å; M228-L287 HydrophobicContact CE-CD2 3.6Å; M228-L287 WeakPolarHBondContact O-CD2 3.45Å; L231-L287 HydrophobicContact CB-CD1 4.46Å; L231-L287 HydrophobicContact CB-CD2 4.41Å; L283-L287 HydrophobicContact CD1-CD1 3.98Å; L283-L287 HydrophobicContact CD1-CG 4.36Å; L283-L287 HydrophobicContact CG-CD1 3.84Å; L283-L287 WeakPolarHBondContact O-CG 3.27Å; L283-L287 PolarHBondContact O-N 3.44Å; L283-L287 VanDerWaalsContact O-N 3.07Å; I284-L287 PolarHBondContact O-N 2.85Å; I284-L287 VanDerWaalsContact O-N 3.13Å; L287-K289 VanDerWaalsContact C-N 3.32Å; L287-K289 PolarHBondContact O-N 3.39Å; L287-R295 WeakPolarHBondContact O-CD 3.35Å; L287-R295 VanDerWaalsContact O-CG 3.24Å; L287-R295 WeakPolarHBondContact O-CG 3.26Å; L287-R295 PolarHBondContact O-NE 3.32Å; L287-M296 HydrophobicContact CD2-CB 4.07Å; L287-M296 HydrophobicContact CD2-CG 4.33Å; L287-M296 HydrophobicContact CD2-SD 4.06Å; L287-M296 HydrophobicContact CG-SD 4.26Å; L287-F301 HydrophobicContact CD1-CD2 3.91Å; L287-F301 HydrophobicContact CD1-CE2 3.89Å; L287-F301 HydrophobicContact CD2-CD2 3.91Å; L287-F301 HydrophobicContact CG-CD2 4.42Å
288	L	92.6	Very high	92.6	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.016	23%	0.234	C	C	.	.	S	Bend	trans	-92.8	23.9	-178.9	-61.2	-175.3	0	0	0	113.6	W229 V233 P244 F245 Y266 I284 T290	W229-L288 HydrophobicContact CD2-CD2 3.85Å; W229-L288 HydrophobicContact CE3-CD2 3.97Å; W229-L288 HydrophobicContact CG-CD2 4.33Å; W229-L288 HydrophobicContact CH2-CD2 4.5Å; W229-L288 HydrophobicContact CZ2-CD2 4.37Å; W229-L288 HydrophobicContact CZ3-CB 4.31Å; W229-L288 HydrophobicContact CZ3-CD2 4.3Å; W229-L288 WeakPolarHBondContact CZ3-O 3.31Å; V233-L288 HydrophobicContact CG2-CD2 3.81Å; P244-L288 HydrophobicContact CB-CD1 4.13Å; P244-L288 HydrophobicContact CG-CD1 3.92Å; F245-L288 HydrophobicContact CZ-CD1 4.42Å; Y266-L288 HydrophobicContact CD1-CD1 4.36Å; Y266-L288 HydrophobicContact CE1-CB 3.73Å; Y266-L288 HydrophobicContact CE1-CD1 4.02Å; Y266-L288 HydrophobicContact CE2-CD1 4.23Å; I284-L288 HydrophobicContact CG2-CD1 3.66Å; I284-L288 HydrophobicContact CG2-CG 4.13Å; I284-L288 WeakPolarHBondContact O-CB 3.45Å; I284-L288 PolarHBondContact O-N 2.91Å; L288-T290 PolarHBondContact O-N 2.57Å
289	K	89.1	Confident	92.6	Very high	71 Å²	71	46.2 Å²	46.2	31%	0.309	24%	0.235	S	C	.	.			trans	-62.2	131.4	167.3	-80	-160.3	169.9	-165.9	0	110.4	R285 L287 E294 R295	R285-K289 WeakPolarHBondContact O-CG 3.38Å; L287-K289 VanDerWaalsContact C-N 3.32Å; L287-K289 PolarHBondContact O-N 3.39Å; K289-E294 HydrophobicContact CD-CB 3.58Å; K289-E294 WeakPolarHBondContact CD-OE2 3.48Å; K289-E294 WeakPolarHBondContact CE-OE2 3.31Å; K289-E294 IonicContact NZ-OE2 2.93Å; K289-E294 PolarHBondContact NZ-OE2 2.93Å; K289-R295 HydrophobicContact CB-CB 4.41Å; K289-R295 PolarHBondContact O-NE 3.16Å; K289-R295 PolarHBondContact O-NH2 3.44Å
290	T	82.6	Confident	92.7	Very high	70 Å²	70	46.2 Å²	46.2	43%	0.429	24%	0.236	S	C	.	.	S	Bend	trans	-66	-42.7	179.7	45.6	0	0	0	0	111.9	G264 L288 P292 R295	G264-T290 VanDerWaalsContact CA-CG2 3.43Å; L288-T290 PolarHBondContact O-N 2.57Å; T290-P292 VanDerWaalsContact O-CD 3.24Å; T290-P292 WeakPolarHBondContact O-CD 3.43Å; T290-R295 PolarHBondContact O-NH2 3.38Å; T290-R295 VanDerWaalsContact O-NH2 3.13Å
291	D	81.3	Confident	92.8	Very high	65 Å²	65	46.2 Å²	46.2	35%	0.348	24%	0.236	S	C	.	.	S	Bend	trans	-69	116.4	172.7	-166.7	-38.9	0	0	0	110.6	T293 E294 R295	D291-T293 PolarHBondContact O-N 2.77Å; D291-T293 WeakPolarHBondContact OD1-CA 3.22Å; D291-T293 VanDerWaalsContact OD1-CB 3.31Å; D291-T293 WeakPolarHBondContact OD1-CB 3.33Å; D291-T293 PolarHBondContact OD1-N 2.66Å; D291-T293 PolarHBondContact OD1-OG1 3.19Å; D291-E294 HydrophobicContact CB-CB 4.29Å; D291-E294 HydrophobicContact CB-CG 4.14Å; D291-E294 PolarHBondContact O-N 3.29Å; D291-R295 PolarHBondContact O-N 3.15Å
292	P	82.7	Confident	92.8	Very high	28 Å²	28	46.2 Å²	46.2	18%	0.182	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.3	176.8	-28.4	41.6	0	0	0	114.7	Y222 S225 T290	Y222-P292 HydrophobicContact CD1-CB 4Å; Y222-P292 HydrophobicContact CD1-CG 3.8Å; Y222-P292 HydrophobicContact CE1-CB 4.03Å; Y222-P292 HydrophobicContact CE1-CG 3.64Å; S225-P292 WeakPolarHBondContact OG-CB 3.24Å; T290-P292 VanDerWaalsContact O-CD 3.24Å; T290-P292 WeakPolarHBondContact O-CD 3.43Å
293	T	82.1	Confident	92.9	Very high	46 Å²	46	47.2 Å²	47.2	28%	0.282	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-26.9	-176.5	72.5	0	0	0	0	112.8	L217 D291	L217-T293 HydrophobicContact CD1-CG2 3.96Å; D291-T293 PolarHBondContact O-N 2.77Å; D291-T293 WeakPolarHBondContact OD1-CA 3.22Å; D291-T293 VanDerWaalsContact OD1-CB 3.31Å; D291-T293 WeakPolarHBondContact OD1-CB 3.33Å; D291-T293 PolarHBondContact OD1-N 2.66Å; D291-T293 PolarHBondContact OD1-OG1 3.19Å
294	E	87.1	Confident	92.9	Very high	119 Å²	119	48 Å²	48	56%	0.556	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90	-15.1	172.6	-61.1	-163.2	162.5	0	0	113.6	K289 D291	K289-E294 HydrophobicContact CD-CB 3.58Å; K289-E294 WeakPolarHBondContact CD-OE2 3.48Å; K289-E294 WeakPolarHBondContact CE-OE2 3.31Å; K289-E294 IonicContact NZ-OE2 2.93Å; K289-E294 PolarHBondContact NZ-OE2 2.93Å; D291-E294 HydrophobicContact CB-CB 4.29Å; D291-E294 HydrophobicContact CB-CG 4.14Å; D291-E294 PolarHBondContact O-N 3.29Å
295	R	92.7	Very high	92.8	Very high	12 Å²	12	51.3 Å²	51.3	5%	0.045	27%	0.27	C	S	.	.	S	Bend	trans	-62.4	140.9	-176.8	-167.7	175.4	-60.3	136	14.2	111.4	S225 M228 L287 K289 T290 D291 T297	S225-R295 WeakPolarHBondContact O-CD 2.99Å; S225-R295 PolarHBondContact O-NH1 2.66Å; S225-R295 PolarHBondContact OG-NH1 3.27Å; S225-R295 VanDerWaalsContact OG-NH1 3.12Å; M228-R295 HydrophobicContact CB-CG 4.32Å; L287-R295 WeakPolarHBondContact O-CD 3.35Å; L287-R295 VanDerWaalsContact O-CG 3.24Å; L287-R295 WeakPolarHBondContact O-CG 3.26Å; L287-R295 PolarHBondContact O-NE 3.32Å; K289-R295 HydrophobicContact CB-CB 4.41Å; K289-R295 PolarHBondContact O-NE 3.16Å; K289-R295 PolarHBondContact O-NH2 3.44Å; T290-R295 PolarHBondContact O-NH2 3.38Å; T290-R295 VanDerWaalsContact O-NH2 3.13Å; D291-R295 PolarHBondContact O-N 3.15Å; R295-T297 PolarHBondContact O-N 2.86Å
296	M	95.1	Very high	92.9	Very high	18 Å²	18	47 Å²	47	9%	0.089	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-53.4	132.1	177.7	-178.2	176.7	-90.5	0	0	112	M228 L283 H286 L287 Q300 F301	M228-M296 WeakPolarHBondContact CB-O 3.37Å; M228-M296 WeakPolarHBondContact CE-O 3.39Å; M228-M296 VanDerWaalsContact CG-O 3.24Å; M228-M296 WeakPolarHBondContact CG-O 3.46Å; L283-M296 HydrophobicContact CD1-CE 3.92Å; L283-M296 HydrophobicContact CD1-SD 3.55Å; L283-M296 VanDerWaalsContact CD1-SD 3.55Å; H286-M296 HydrophobicContact CB-CB 4Å; H286-M296 HydrophobicContact CB-CE 3.69Å; H286-M296 HydrophobicContact CB-SD 4.34Å; H286-M296 WeakPolarHBondContact O-CB 3.23Å; H286-M296 PolarHBondContact O-N 3.16Å; L287-M296 HydrophobicContact CD2-CB 4.07Å; L287-M296 HydrophobicContact CD2-CG 4.33Å; L287-M296 HydrophobicContact CD2-SD 4.06Å; L287-M296 HydrophobicContact CG-SD 4.26Å; M296-Q300 HydrophobicContact CE-CB 4.46Å; M296-Q300 HydrophobicContact CG-CB 3.7Å; M296-F301 HydrophobicContact CG-CB 4.28Å; M296-F301 VanDerWaalsContact SD-CA 3.57Å; M296-F301 HydrophobicContact SD-CB 3.84Å; M296-F301 HydrophobicContact SD-CD2 4.32Å
297	T	95.9	Very high	92.9	Very high	71 Å²	71	43.7 Å²	43.7	44%	0.436	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-82.7	158.4	172.9	62.8	0	0	0	0	111.7	R295 S299 Q300 F301	R295-T297 PolarHBondContact O-N 2.86Å; T297-S299 PolarHBondContact O-N 3Å; T297-Q300 WeakPolarHBondContact O-CB 3.27Å; T297-Q300 PolarHBondContact O-N 3.37Å; T297-Q300 WeakPolarHBondContact OG1-CG 3.41Å; T297-Q300 PolarHBondContact OG1-N 3.27Å; T297-Q300 PolarHBondContact OG1-OE1 2.66Å; T297-F301 PolarHBondContact O-N 2.74Å
298	V	96.8	Very high	92.8	Very high	9 Å²	9	48 Å²	48	6%	0.055	26%	0.261	C	S	.	.	H	α-helix	trans	-59.9	-33.1	179.2	73.2	0	0	0	0	113.1	I156 Q157 H160 M228 Q300 F301 M302	I156-V298 HydrophobicContact CB-CG2 4.24Å; I156-V298 HydrophobicContact CG2-CB 4.43Å; I156-V298 HydrophobicContact CG2-CG2 4Å; Q157-V298 HydrophobicContact CB-CG1 4.49Å; Q157-V298 HydrophobicContact CB-CG2 3.83Å; H160-V298 HydrophobicContact CB-CG1 3.87Å; M228-V298 HydrophobicContact CE-CB 4.27Å; M228-V298 HydrophobicContact SD-CB 3.69Å; M228-V298 HydrophobicContact SD-CG2 4.3Å; M228-V298 PolarHBondContact SD-N 2.76Å; V298-Q300 PolarHBondContact O-N 3.3Å; V298-F301 PolarHBondContact O-N 2.66Å; V298-M302 HydrophobicContact CG2-CG 4.33Å; V298-M302 WeakPolarHBondContact O-CG 3.38Å; V298-M302 PolarHBondContact O-N 2.77Å
299	S	96.6	Very high	92.8	Very high	68 Å²	68	55.9 Å²	55.9	48%	0.476	29%	0.291	S	S	.	.	H	α-helix	trans	-66.8	-35.2	174.8	-55.3	0	0	0	0	112.6	T297 N303	T297-S299 PolarHBondContact O-N 3Å; S299-N303 WeakPolarHBondContact O-CB 3.46Å; S299-N303 PolarHBondContact O-N 3.41Å; S299-N303 PolarHBondContact O-ND2 3.07Å
300	Q	97.7	Very high	92.6	Very high	106 Å²	106	52.8 Å²	52.8	50%	0.495	28%	0.278	S	S	.	.	H	α-helix	trans	-72.6	-40	173.1	-72	162.1	-46.5	0	0	111.2	M296 T297 V298 N303 H304	M296-Q300 HydrophobicContact CE-CB 4.46Å; M296-Q300 HydrophobicContact CG-CB 3.7Å; T297-Q300 WeakPolarHBondContact O-CB 3.27Å; T297-Q300 PolarHBondContact O-N 3.37Å; T297-Q300 WeakPolarHBondContact OG1-CG 3.41Å; T297-Q300 PolarHBondContact OG1-N 3.27Å; T297-Q300 PolarHBondContact OG1-OE1 2.66Å; V298-Q300 PolarHBondContact O-N 3.3Å; Q300-N303 PolarHBondContact O-N 3.39Å; Q300-H304 PolarHBondContact O-N 3.37Å
301	F	98.4	Very high	92.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-58.6	-52.5	176.1	175.3	-90.2	0	0	0	112.1	M149 M228 L231 L283 L287 M296 T297 V298 N303 H304 I307	M149-F301 HydrophobicContact CB-CZ 4.24Å; M149-F301 HydrophobicContact CE-CE2 4.12Å; M149-F301 HydrophobicContact CE-CZ 3.72Å; M149-F301 WeakPolarHBondContact O-CE1 3.27Å; M228-F301 HydrophobicContact CE-CB 3.72Å; M228-F301 HydrophobicContact CE-CD2 4.46Å; M228-F301 HydrophobicContact CE-CG 4.17Å; L231-F301 HydrophobicContact CB-CE2 4.45Å; L231-F301 HydrophobicContact CD1-CD1 4.3Å; L231-F301 HydrophobicContact CD1-CD2 4.36Å; L231-F301 HydrophobicContact CD1-CE1 4.25Å; L231-F301 HydrophobicContact CD1-CE2 4.28Å; L231-F301 HydrophobicContact CD1-CG 4.37Å; L231-F301 HydrophobicContact CD1-CZ 4.22Å; L283-F301 HydrophobicContact CD1-CD2 3.89Å; L283-F301 HydrophobicContact CD1-CE2 4.29Å; L283-F301 HydrophobicContact CD2-CE2 4.14Å; L287-F301 HydrophobicContact CD1-CD2 3.91Å; L287-F301 HydrophobicContact CD1-CE2 3.89Å; L287-F301 HydrophobicContact CD2-CD2 3.91Å; L287-F301 HydrophobicContact CG-CD2 4.42Å; M296-F301 HydrophobicContact CG-CB 4.28Å; M296-F301 VanDerWaalsContact SD-CA 3.57Å; M296-F301 HydrophobicContact SD-CB 3.84Å; M296-F301 HydrophobicContact SD-CD2 4.32Å; T297-F301 PolarHBondContact O-N 2.74Å; V298-F301 PolarHBondContact O-N 2.66Å; F301-N303 PolarHBondContact O-N 3.38Å; F301-H304 WeakPolarHBondContact O-CB 3.45Å; F301-H304 PolarHBondContact O-N 3.05Å; F301-I307 HydrophobicContact CD1-CG1 4.35Å; F301-I307 HydrophobicContact CD1-CG2 4.42Å; F301-I307 HydrophobicContact CD2-CG1 4.38Å; F301-I307 HydrophobicContact CE1-CD1 3.88Å; F301-I307 HydrophobicContact CE1-CG1 3.93Å; F301-I307 HydrophobicContact CE1-CG2 4.06Å; F301-I307 HydrophobicContact CE2-CD1 3.93Å; F301-I307 HydrophobicContact CE2-CG1 3.99Å; F301-I307 HydrophobicContact CZ-CD1 3.41Å; F301-I307 VanDerWaalsContact CZ-CD1 3.41Å; F301-I307 HydrophobicContact CZ-CG1 3.75Å; F301-I307 WeakPolarHBondContact O-CB 3.48Å
302	M	98.1	Very high	93.2	Very high	25 Å²	25	56.4 Å²	56.4	12%	0.123	30%	0.303	C	S	.	.	H	α-helix	trans	-66.5	-21.8	-179.5	-66.7	-59.5	-74.1	0	0	113.4	R150 G153 T154 Q157 V298 I307 N308	R150-M302 HydrophobicContact CG-CE 4.45Å; G153-M302 VanDerWaalsContact C-SD 3.51Å; T154-M302 WeakPolarHBondContact OG1-CE 3.48Å; Q157-M302 HydrophobicContact CB-CG 4.34Å; V298-M302 HydrophobicContact CG2-CG 4.33Å; V298-M302 WeakPolarHBondContact O-CG 3.38Å; V298-M302 PolarHBondContact O-N 2.77Å; M302-I307 HydrophobicContact SD-CG2 4.03Å; M302-N308 WeakPolarHBondContact O-CB 3.33Å
303	N	97.6	Very high	93.6	Very high	111 Å²	111	55.5 Å²	55.5	59%	0.594	30%	0.297	S	S	*	.	H	α-helix	trans	-90.4	-10.3	173.5	-78.8	-64.8	0	0	0	113.7	S299 Q300 F301	S299-N303 WeakPolarHBondContact O-CB 3.46Å; S299-N303 PolarHBondContact O-N 3.41Å; S299-N303 PolarHBondContact O-ND2 3.07Å; Q300-N303 PolarHBondContact O-N 3.39Å; F301-N303 PolarHBondContact O-N 3.38Å
304	H	98	Very high	94	Very high	16 Å²	16	56.1 Å²	56.1	7%	0.074	30%	0.301	C	S	.	.	S	Bend	trans	-61.5	136.8	-179.3	-167.2	-97.9	0	0	0	110.3	E279 L283 Q300 F301 W306 I307 N308	E279-H304 PolarHBondContact O-CE1 3.26Å; L283-H304 HydrophobicContact CD1-CB 4.12Å; Q300-H304 PolarHBondContact O-N 3.37Å; F301-H304 WeakPolarHBondContact O-CB 3.45Å; F301-H304 PolarHBondContact O-N 3.05Å; H304-W306 VanDerWaalsContact C-N 3.25Å; H304-W306 WeakPolarHBondContact ND1-CB 3.3Å; H304-W306 PolarHBondContact ND1-N 3.46Å; H304-W306 PolarHBondContact O-N 3.48Å; H304-W306 VanDerWaalsContact O-N 3.16Å; H304-I307 PolarHBondContact O-N 3.45Å; H304-N308 WeakPolarHBondContact O-CB 3.42Å; H304-N308 PolarHBondContact O-N 3.31Å
305	P	96.3	Very high	94.4	Very high	71 Å²	71	54 Å²	54	46%	0.461	30%	0.298	S	S	.	.	H	α-helix	trans	-53.9	-41	-175.2	-28.7	35.9	0	0	0	113.6	I307 R309	P305-I307 PolarHBondContact O-N 2.98Å; P305-R309 WeakPolarHBondContact O-CB 3.43Å; P305-R309 PolarHBondContact O-N 2.81Å
306	W	97.6	Very high	94.5	Very high	7 Å²	7	54.9 Å²	54.9	3%	0.027	31%	0.305	C	S	.	.	H	α-helix	trans	-63.3	-20.6	178	-165.8	85.2	0	0	0	114.4	E142 A145 S146 M149 T235 L239 A280 L283 H304 V313	E142-W306 HydrophobicContact CG-CZ2 4Å; E142-W306 PolarHBondContact OE1-NE1 3.09Å; A145-W306 HydrophobicContact CB-CH2 4.24Å; A145-W306 HydrophobicContact CB-CZ2 4.4Å; S146-W306 VanDerWaalsContact CA-CH2 3.44Å; S146-W306 WeakPolarHBondContact CB-O 3.47Å; S146-W306 PolarHBondContact OG-O 2.9Å; M149-W306 HydrophobicContact CB-CZ3 3.95Å; M149-W306 HydrophobicContact CG-CH2 4.34Å; M149-W306 HydrophobicContact CG-CZ3 4.08Å; T235-W306 HydrophobicContact CG2-CH2 4.03Å; T235-W306 HydrophobicContact CG2-CZ3 3.98Å; L239-W306 HydrophobicContact CD1-CZ2 4.48Å; L239-W306 HydrophobicContact CD2-CZ2 4.06Å; A280-W306 HydrophobicContact CB-CD2 4.41Å; A280-W306 HydrophobicContact CB-CG 4.47Å; A280-W306 HydrophobicContact CB-CZ2 4.37Å; L283-W306 HydrophobicContact CD2-CB 4.48Å; L283-W306 HydrophobicContact CD2-CD2 4.18Å; L283-W306 HydrophobicContact CD2-CE3 3.38Å; L283-W306 HydrophobicContact CD2-CZ3 3.96Å; H304-W306 VanDerWaalsContact C-N 3.25Å; H304-W306 WeakPolarHBondContact ND1-CB 3.3Å; H304-W306 PolarHBondContact ND1-N 3.46Å; H304-W306 PolarHBondContact O-N 3.48Å; H304-W306 VanDerWaalsContact O-N 3.16Å; W306-V313 HydrophobicContact CG-CG2 4.32Å
307	I	97.6	Very high	94.5	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-102.2	-51.7	176.9	-62.6	-65.7	0	0	0	110.6	M149 R150 L283 F301 M302 H304 P305 R309 S310	M149-I307 HydrophobicContact CB-CD1 3.72Å; R150-I307 HydrophobicContact CB-CG2 4.05Å; R150-I307 HydrophobicContact CG-CG2 4.23Å; L283-I307 HydrophobicContact CD2-CD1 4.12Å; L283-I307 HydrophobicContact CD2-CG1 3.94Å; F301-I307 HydrophobicContact CD1-CG1 4.35Å; F301-I307 HydrophobicContact CD1-CG2 4.42Å; F301-I307 HydrophobicContact CD2-CG1 4.38Å; F301-I307 HydrophobicContact CE1-CD1 3.88Å; F301-I307 HydrophobicContact CE1-CG1 3.93Å; F301-I307 HydrophobicContact CE1-CG2 4.06Å; F301-I307 HydrophobicContact CE2-CD1 3.93Å; F301-I307 HydrophobicContact CE2-CG1 3.99Å; F301-I307 HydrophobicContact CZ-CD1 3.41Å; F301-I307 VanDerWaalsContact CZ-CD1 3.41Å; F301-I307 HydrophobicContact CZ-CG1 3.75Å; F301-I307 WeakPolarHBondContact O-CB 3.48Å; M302-I307 HydrophobicContact SD-CG2 4.03Å; H304-I307 PolarHBondContact O-N 3.45Å; P305-I307 PolarHBondContact O-N 2.98Å; I307-R309 PolarHBondContact O-N 3.42Å; I307-S310 PolarHBondContact O-N 3.34Å
308	N	93.8	Very high	94.4	Very high	91 Å²	91	55.6 Å²	55.6	49%	0.487	31%	0.311	S	S	.	.	H	α-helix	trans	-64.3	-28	-175.9	-165.4	3.3	0	0	0	112.5	M302 H304	M302-N308 WeakPolarHBondContact O-CB 3.33Å; H304-N308 WeakPolarHBondContact O-CB 3.42Å; H304-N308 PolarHBondContact O-N 3.31Å
309	R	92.7	Very high	94.2	Very high	169 Å²	169	58.4 Å²	58.4	64%	0.638	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.3	41.3	179.8	-51.8	-179.3	-177.6	173.3	0.6	111.6	P305 I307 M311 A312 V313	P305-R309 WeakPolarHBondContact O-CB 3.43Å; P305-R309 PolarHBondContact O-N 2.81Å; I307-R309 PolarHBondContact O-N 3.42Å; R309-M311 PolarHBondContact O-N 2.85Å; R309-M311 VanDerWaalsContact O-N 3.14Å; R309-A312 HydrophobicContact CB-CB 4.18Å; R309-A312 WeakPolarHBondContact O-CA 3.29Å; R309-A312 WeakPolarHBondContact O-CB 3.48Å; R309-A312 PolarHBondContact O-N 3.4Å; R309-V313 PolarHBondContact O-N 3.33Å
310	S	84.9	Confident	93.9	Very high	5 Å²	5	55.2 Å²	55.2	4%	0.035	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-47.5	-44.3	-177.5	64.5	0	0	0	0	113.7	S146 I307 A312 V313	S146-S310 VanDerWaalsContact OG-CA 3.25Å; S146-S310 WeakPolarHBondContact OG-CA 3.38Å; S146-S310 WeakPolarHBondContact OG-CB 3.49Å; I307-S310 PolarHBondContact O-N 3.34Å; S310-A312 PolarHBondContact O-N 3.28Å; S310-A312 VanDerWaalsContact O-N 3.1Å; S310-V313 VanDerWaalsContact O-CB 3.25Å; S310-V313 WeakPolarHBondContact O-CB 3.44Å; S310-V313 WeakPolarHBondContact O-CG2 3.43Å; S310-V313 PolarHBondContact O-N 3.21Å
311	M	85	Confident	93.6	Very high	134 Å²	134	50.5 Å²	50.5	66%	0.66	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-59.4	-23.4	176.9	-59.6	-56.7	-62.2	0	0	114.7	R143 R309	R143-M311 PolarHBondContact NE-O 3.1Å; R309-M311 PolarHBondContact O-N 2.85Å; R309-M311 VanDerWaalsContact O-N 3.14Å
312	A	90.1	Very high	93.2	Very high	78 Å²	78	55.5 Å²	55.5	65%	0.645	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-93.5	-6.1	177.6	0	0	0	0	0	113.3	R309 S310	R309-A312 HydrophobicContact CB-CB 4.18Å; R309-A312 WeakPolarHBondContact O-CA 3.29Å; R309-A312 WeakPolarHBondContact O-CB 3.48Å; R309-A312 PolarHBondContact O-N 3.4Å; S310-A312 PolarHBondContact O-N 3.28Å; S310-A312 VanDerWaalsContact O-N 3.1Å
313	V	92.8	Very high	92.8	Very high	8 Å²	8	54.8 Å²	54.8	5%	0.048	30%	0.296	C	S	.	.	S	Bend	trans	-64.5	140.6	173.6	176.9	0	0	0	0	109.1	E142 R143 W306 R309 S310	E142-V313 HydrophobicContact CB-CG1 4.18Å; E142-V313 HydrophobicContact CG-CG1 3.87Å; R143-V313 HydrophobicContact CB-CB 4.48Å; R143-V313 PolarHBondContact NE-O 2.75Å; R143-V313 PolarHBondContact NH2-O 2.91Å; W306-V313 HydrophobicContact CG-CG2 4.32Å; R309-V313 PolarHBondContact O-N 3.33Å; S310-V313 VanDerWaalsContact O-CB 3.25Å; S310-V313 WeakPolarHBondContact O-CB 3.44Å; S310-V313 WeakPolarHBondContact O-CG2 3.43Å; S310-V313 PolarHBondContact O-N 3.21Å
314	P	90.1	Very high	92.3	Very high	59 Å²	59	49.7 Å²	49.7	38%	0.383	27%	0.269	S	S	.	.			trans	-55.2	138.1	175.4	-27.7	36.8	0	0	0	111.9	R143 T316	R143-P314 PolarHBondContact N-O 3.09Å; P314-T316 WeakPolarHBondContact CB-OG1 3.23Å; P314-T316 PolarHBondContact O-N 2.88Å
315	P	94.7	Very high	91.8	Very high	75 Å²	75	54.3 Å²	54.3	49%	0.487	29%	0.291	S	S	.	.			trans	-80.8	42	172.3	36.9	-34.3	0	0	0	110.5	T141 P317	T141-P315 WeakPolarHBondContact CG2-O 3.22Å; P315-P317 WeakPolarHBondContact O-CD 3.39Å
316	T	94.3	Very high	91.3	Very high	30 Å²	30	56.8 Å²	56.8	18%	0.184	30%	0.296	C	S	.	.			trans	-62.2	125	-178.8	-57.7	0	0	0	0	109.3	T141 E142 E275 P314 L318	T141-T316 CarbonylContact C-O 3.13Å; T141-T316 VanDerWaalsContact CA-O 3.23Å; T141-T316 WeakPolarHBondContact CA-O 3.32Å; E142-T316 PolarHBondContact N-O 3.44Å; E275-T316 HydrophobicContact CB-CG2 3.68Å; P314-T316 WeakPolarHBondContact CB-OG1 3.23Å; P314-T316 PolarHBondContact O-N 2.88Å; T316-L318 PolarHBondContact O-N 3.15Å
317	P	94.8	Very high	90.4	Very high	88 Å²	88	59.4 Å²	59.4	57%	0.571	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.7	132.9	174.2	-23.2	34.8	0	0	0	111.5	A139 P315	A139-P317 HydrophobicContact CB-CB 4.27Å; P315-P317 WeakPolarHBondContact O-CD 3.39Å
318	L	94.9	Very high	89.5	Confident	16 Å²	16	65.3 Å²	65.3	8%	0.084	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	148.9	178.6	-56.8	171.9	0	0	0	110.5	F140 T141 E142 A145 L239 V276 T316 T320	F140-L318 HydrophobicContact CD1-CB 4.45Å; F140-L318 HydrophobicContact CD1-CD1 3.76Å; F140-L318 HydrophobicContact CE1-CD1 3.88Å; F140-L318 WeakPolarHBondContact O-CB 3.45Å; F140-L318 PolarHBondContact O-N 3Å; T141-L318 VanDerWaalsContact C-CD1 3.5Å; E142-L318 HydrophobicContact CB-CD2 4.2Å; A145-L318 HydrophobicContact CB-CD1 4.17Å; L239-L318 HydrophobicContact CD2-CD1 3.92Å; L239-L318 HydrophobicContact CD2-CD2 4.17Å; V276-L318 HydrophobicContact CG2-CD2 3.94Å; T316-L318 PolarHBondContact O-N 3.15Å; L318-T320 PolarHBondContact O-N 2.85Å
319	H	91.7	Very high	88.8	Confident	69 Å²	69	68 Å²	68	32%	0.319	35%	0.351	S	S	.	.	S	Bend	trans	-74.1	-8.8	175.5	-63.8	-88.7	0	0	0	113.5	E272 A321 R322 V323	E272-H319 HydrophobicContact CG-CB 3.83Å; H319-A321 PolarHBondContact O-N 3.28Å; H319-R322 WeakPolarHBondContact O-CB 3.47Å; H319-R322 PolarHBondContact O-N 3.01Å; H319-R322 VanDerWaalsContact O-N 3.07Å; H319-V323 HydrophobicContact CB-CG2 4.15Å; H319-V323 PolarHBondContact O-N 3.28Å
320	T	92.1	Very high	88.2	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-45.1	-51	-172.9	-52.2	0	0	0	0	114.6	I132 F140 L238 L239 C240 L318 R322 V323 L324	I132-T320 HydrophobicContact CG2-CG2 4.07Å; F140-T320 HydrophobicContact CD1-CG2 4.08Å; F140-T320 HydrophobicContact CE1-CG2 4.31Å; L238-T320 WeakPolarHBondContact O-CB 3.49Å; L238-T320 VanDerWaalsContact O-CG2 3.27Å; L238-T320 WeakPolarHBondContact O-CG2 3.41Å; L238-T320 PolarHBondContact O-OG1 2.96Å; L239-T320 PolarHBondContact O-OG1 3.48Å; C240-T320 PolarHBondContact N-OG1 3.05Å; L318-T320 PolarHBondContact O-N 2.85Å; T320-R322 PolarHBondContact O-N 3.33Å; T320-V323 PolarHBondContact O-N 2.95Å; T320-L324 HydrophobicContact CG2-CD1 3.79Å; T320-L324 HydrophobicContact CG2-CG 4.49Å; T320-L324 WeakPolarHBondContact O-CB 3.12Å; T320-L324 WeakPolarHBondContact O-CD1 3.38Å; T320-L324 VanDerWaalsContact O-CG 3.22Å; T320-L324 WeakPolarHBondContact O-CG 3.39Å; T320-L324 PolarHBondContact O-N 3.21Å
321	A	90.9	Very high	88.1	Confident	7 Å²	7	65.2 Å²	65.2	6%	0.058	34%	0.343	C	S	.	.	H	α-helix	trans	-63.6	-42.8	-177.5	0	0	0	0	0	112.2	I132 F140 H319 Q325	I132-A321 HydrophobicContact CG2-CB 4.12Å; F140-A321 HydrophobicContact CB-CB 4.45Å; H319-A321 PolarHBondContact O-N 3.28Å; A321-Q325 WeakPolarHBondContact O-CB 3.34Å; A321-Q325 PolarHBondContact O-N 3.42Å; A321-Q325 VanDerWaalsContact O-N 3.14Å
322	R	89.6	Confident	88	Confident	106 Å²	106	63.7 Å²	63.7	40%	0.4	34%	0.338	S	S	.	.	H	α-helix	trans	-65	-48.5	176.4	-177.6	-172.6	68.2	93.1	2.5	111.5	E272 H319 T320 L324 Q325 E326	E272-R322 IonicContact OE1-NH2 3.16Å; H319-R322 WeakPolarHBondContact O-CB 3.47Å; H319-R322 PolarHBondContact O-N 3.01Å; H319-R322 VanDerWaalsContact O-N 3.07Å; T320-R322 PolarHBondContact O-N 3.33Å; R322-L324 PolarHBondContact O-N 3.47Å; R322-Q325 WeakPolarHBondContact O-CA 3.35Å; R322-Q325 WeakPolarHBondContact O-CB 3.47Å; R322-Q325 PolarHBondContact O-N 3.38Å; R322-E326 WeakPolarHBondContact CD-OE1 3.17Å; R322-E326 HydrophobicContact CG-CG 4.4Å; R322-E326 WeakPolarHBondContact CG-OE1 3.36Å; R322-E326 IonicContact CZ-OE1 3.29Å; R322-E326 IonicContact CZ-OE2 2.83Å; R322-E326 IonicContact NE-OE1 3.45Å; R322-E326 IonicContact NH1-OE1 3.9Å; R322-E326 PolarHBondContact NH1-OE1 3.38Å; R322-E326 IonicContact NH1-OE2 2.66Å; R322-E326 PolarHBondContact NH1-OE2 3.31Å; R322-E326 WeakPolarHBondContact O-CG 3.25Å; R322-E326 PolarHBondContact O-N 3.16Å
323	V	89.4	Confident	87.6	Confident	9 Å²	9	64 Å²	64	6%	0.055	33%	0.326	C	S	.	.	H	α-helix	trans	-61.7	-44.9	-179.2	171.4	0	0	0	0	111.1	F242 E272 H319 T320 Q325 E326 D327	F242-V323 HydrophobicContact CB-CG1 4.22Å; F242-V323 HydrophobicContact CD1-CG1 4.22Å; E272-V323 HydrophobicContact CG-CG2 4.35Å; H319-V323 HydrophobicContact CB-CG2 4.15Å; H319-V323 PolarHBondContact O-N 3.28Å; T320-V323 PolarHBondContact O-N 2.95Å; V323-Q325 PolarHBondContact O-N 3.25Å; V323-E326 PolarHBondContact O-N 3.21Å; V323-D327 PolarHBondContact O-N 3.22Å
324	L	88.2	Confident	87	Confident	5 Å²	5	64.1 Å²	64.1	3%	0.026	33%	0.327	C	S	.	.	H	α-helix	trans	-63.2	-27.5	175.1	-69	167.8	0	0	0	112.7	F129 I132 Q133 G241 T320 R322 W331	F129-L324 HydrophobicContact CB-CD1 4.5Å; F129-L324 HydrophobicContact CD1-CD1 3.89Å; F129-L324 HydrophobicContact CD1-CD2 4.37Å; I132-L324 HydrophobicContact CB-CD1 4.33Å; I132-L324 HydrophobicContact CG2-CD1 4.04Å; Q133-L324 HydrophobicContact CB-CB 4.33Å; Q133-L324 HydrophobicContact CG-CB 4.36Å; Q133-L324 PolarHBondContact NE2-O 3.23Å; G241-L324 VanDerWaalsContact O-CD2 3.29Å; G241-L324 WeakPolarHBondContact O-CD2 3.08Å; T320-L324 HydrophobicContact CG2-CD1 3.79Å; T320-L324 HydrophobicContact CG2-CG 4.49Å; T320-L324 WeakPolarHBondContact O-CB 3.12Å; T320-L324 WeakPolarHBondContact O-CD1 3.38Å; T320-L324 VanDerWaalsContact O-CG 3.22Å; T320-L324 WeakPolarHBondContact O-CG 3.39Å; T320-L324 PolarHBondContact O-N 3.21Å; R322-L324 PolarHBondContact O-N 3.47Å; L324-W331 HydrophobicContact CD2-CD2 4.25Å; L324-W331 HydrophobicContact CD2-CE3 3.61Å; L324-W331 HydrophobicContact CD2-CH2 4.1Å; L324-W331 HydrophobicContact CD2-CZ3 3.52Å
325	Q	86.6	Confident	86.7	Confident	113 Å²	113	62.8 Å²	62.8	53%	0.528	32%	0.315	S	S	.	.	H	α-helix	trans	-78.5	-38.5	175.5	-172.2	177	-0.4	0	0	112.1	Q133 A321 R322 V323	Q133-Q325 HydrophobicContact CG-CB 4.42Å; A321-Q325 WeakPolarHBondContact O-CB 3.34Å; A321-Q325 PolarHBondContact O-N 3.42Å; A321-Q325 VanDerWaalsContact O-N 3.14Å; R322-Q325 WeakPolarHBondContact O-CA 3.35Å; R322-Q325 WeakPolarHBondContact O-CB 3.47Å; R322-Q325 PolarHBondContact O-N 3.38Å; V323-Q325 PolarHBondContact O-N 3.25Å
326	E	85.4	Confident	86.1	Confident	122 Å²	122	66.4 Å²	66.4	57%	0.57	33%	0.325	S	S	*	.	H	α-helix	trans	-68.4	-47.5	176.6	-72.8	170.9	-173.7	0	0	111.6	R322 V323 K328	R322-E326 WeakPolarHBondContact CD-OE1 3.17Å; R322-E326 HydrophobicContact CG-CG 4.4Å; R322-E326 WeakPolarHBondContact CG-OE1 3.36Å; R322-E326 IonicContact CZ-OE1 3.29Å; R322-E326 IonicContact CZ-OE2 2.83Å; R322-E326 IonicContact NE-OE1 3.45Å; R322-E326 IonicContact NH1-OE1 3.9Å; R322-E326 PolarHBondContact NH1-OE1 3.38Å; R322-E326 IonicContact NH1-OE2 2.66Å; R322-E326 PolarHBondContact NH1-OE2 3.31Å; R322-E326 WeakPolarHBondContact O-CG 3.25Å; R322-E326 PolarHBondContact O-N 3.16Å; V323-E326 PolarHBondContact O-N 3.21Å; E326-K328 VanDerWaalsContact C-N 3.3Å; E326-K328 PolarHBondContact O-N 3.07Å
327	D	78.8	Confident	85.3	Confident	63 Å²	63	67.2 Å²	67.2	34%	0.337	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	25.6	-179.2	-86.4	-36.7	0	0	0	113.9	V323 D329 H330 W331	V323-D327 PolarHBondContact O-N 3.22Å; D327-D329 PolarHBondContact O-N 3.22Å; D327-D329 VanDerWaalsContact O-N 3.16Å; D327-H330 PolarHBondContact O-N 3.3Å; D327-H330 IonicContact OD1-ND1 2.73Å; D327-H330 PolarHBondContact OD1-ND1 2.95Å; D327-W331 PolarHBondContact O-N 3.47Å; D327-W331 VanDerWaalsContact O-N 3.17Å
328	K	79.4	Confident	84.5	Confident	125 Å²	125	63.8 Å²	63.8	54%	0.543	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-52.9	-41	-176.5	-179.4	169.4	-173.8	176.5	0	113.5	Q133 E326 H330 W331	Q133-K328 VanDerWaalsContact NE2-CG 3.33Å; E326-K328 VanDerWaalsContact C-N 3.3Å; E326-K328 PolarHBondContact O-N 3.07Å; K328-H330 VanDerWaalsContact C-N 3.3Å; K328-H330 PolarHBondContact O-N 3.14Å; K328-W331 WeakPolarHBondContact O-CB 3.37Å; K328-W331 PolarHBondContact O-N 2.74Å
329	D	79.1	Confident	83.9	Confident	148 Å²	148	65 Å²	65	79%	0.791	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-72.6	-23.7	-177.1	-63.7	-22.4	0	0	0	112.5	D327	D327-D329 PolarHBondContact O-N 3.22Å; D327-D329 VanDerWaalsContact O-N 3.16Å
330	H	79.6	Confident	83.2	Confident	92 Å²	92	64 Å²	64	43%	0.426	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-90.4	-10	175.6	-59.8	113.1	0	0	0	113.2	D327 K328 D332 E333 V334	D327-H330 PolarHBondContact O-N 3.3Å; D327-H330 IonicContact OD1-ND1 2.73Å; D327-H330 PolarHBondContact OD1-ND1 2.95Å; K328-H330 VanDerWaalsContact C-N 3.3Å; K328-H330 PolarHBondContact O-N 3.14Å; H330-D332 VanDerWaalsContact C-N 3.27Å; H330-D332 PolarHBondContact O-N 2.73Å; H330-E333 IonicContact CD2-OE2 3.83Å; H330-E333 WeakPolarHBondContact O-CB 3.05Å; H330-E333 PolarHBondContact O-N 3.45Å; H330-E333 VanDerWaalsContact O-N 3.07Å; H330-V334 PolarHBondContact O-N 3.49Å; H330-V334 VanDerWaalsContact O-N 3.09Å
331	W	82.9	Confident	82.4	Confident	22 Å²	22	64.8 Å²	64.8	8%	0.083	32%	0.318	C	S	.	.	H	α-helix	trans	-63.1	-30.9	-176.9	-176.8	-112.2	0	0	0	113.4	F129 P171 I237 L324 D327 K328 V334 K335	F129-W331 HydrophobicContact CB-CH2 3.97Å; F129-W331 HydrophobicContact CB-CZ2 3.42Å; F129-W331 VanDerWaalsContact CB-CZ2 3.42Å; F129-W331 AromaticContact CD1-CH2 3.83Å; F129-W331 HydrophobicContact CD1-CH2 3.83Å; F129-W331 HydrophobicContact CD1-CZ2 4.17Å; F129-W331 HydrophobicContact CD2-CH2 4.02Å; F129-W331 AromaticContact CD2-CZ2 3.84Å; F129-W331 HydrophobicContact CD2-CZ2 3.84Å; F129-W331 HydrophobicContact CE1-CH2 4.34Å; F129-W331 HydrophobicContact CE2-CH2 4.49Å; F129-W331 AromaticContact CG-CH2 3.65Å; F129-W331 HydrophobicContact CG-CH2 3.65Å; F129-W331 AromaticContact CG-CZ2 3.52Å; F129-W331 HydrophobicContact CG-CZ2 3.52Å; P171-W331 HydrophobicContact CB-CZ2 4.05Å; P171-W331 HydrophobicContact CG-CH2 4.31Å; P171-W331 HydrophobicContact CG-CZ2 4.12Å; I237-W331 HydrophobicContact CG2-CH2 3.92Å; I237-W331 HydrophobicContact CG2-CZ3 3.87Å; L324-W331 HydrophobicContact CD2-CD2 4.25Å; L324-W331 HydrophobicContact CD2-CE3 3.61Å; L324-W331 HydrophobicContact CD2-CH2 4.1Å; L324-W331 HydrophobicContact CD2-CZ3 3.52Å; D327-W331 PolarHBondContact O-N 3.47Å; D327-W331 VanDerWaalsContact O-N 3.17Å; K328-W331 WeakPolarHBondContact O-CB 3.37Å; K328-W331 PolarHBondContact O-N 2.74Å; W331-V334 HydrophobicContact CE3-CB 4.17Å; W331-V334 HydrophobicContact CE3-CG1 4.03Å; W331-V334 HydrophobicContact CH2-CG1 4.37Å; W331-V334 HydrophobicContact CZ3-CB 4.43Å; W331-V334 HydrophobicContact CZ3-CG1 3.78Å; W331-V334 PolarHBondContact O-N 2.97Å; W331-K335 HydrophobicContact CZ2-CG 4.5Å; W331-K335 PolarHBondContact O-N 3.43Å; W331-K335 VanDerWaalsContact O-N 3.13Å
332	D	83.7	Confident	81.7	Confident	103 Å²	103	64.6 Å²	64.6	55%	0.551	32%	0.317	S	S	*	.	H	α-helix	trans	-68.6	-37.2	173.7	-74.8	-26.3	0	0	0	111.8	H330 K335 E336	H330-D332 VanDerWaalsContact C-N 3.27Å; H330-D332 PolarHBondContact O-N 2.73Å; D332-K335 PolarHBondContact O-N 3.29Å; D332-K335 WeakPolarHBondContact OD1-CE 3.14Å; D332-K335 IonicContact OD1-NZ 2.75Å; D332-K335 PolarHBondContact OD1-NZ 2.97Å; D332-E336 PolarHBondContact O-N 3.38Å
333	E	81.6	Confident	81.1	Confident	84 Å²	84	62.5 Å²	62.5	39%	0.393	32%	0.322	S	S	.	.	H	α-helix	trans	-64	-41.6	173.5	-54.6	-169.3	157.7	0	0	111.3	A252 H330 K335 E336 E337	A252-E333 HydrophobicContact CB-CB 4.35Å; A252-E333 WeakPolarHBondContact CB-OE2 3.46Å; H330-E333 IonicContact CD2-OE2 3.83Å; H330-E333 WeakPolarHBondContact O-CB 3.05Å; H330-E333 PolarHBondContact O-N 3.45Å; H330-E333 VanDerWaalsContact O-N 3.07Å; E333-K335 VanDerWaalsContact C-N 3.34Å; E333-K335 PolarHBondContact O-N 3.13Å; E333-E336 PolarHBondContact O-N 3.29Å; E333-E337 WeakPolarHBondContact O-CG 3.31Å; E333-E337 PolarHBondContact O-N 2.76Å
334	V	80.5	Confident	80.2	Confident	11 Å²	11	66.2 Å²	66.2	7%	0.067	34%	0.344	C	S	.	.	H	α-helix	trans	-57.9	-44.4	175.1	168.6	0	0	0	0	111.6	P243 H330 W331 E337 M338	P243-V334 HydrophobicContact CB-CG1 4.43Å; P243-V334 HydrophobicContact CG-CB 4.43Å; P243-V334 HydrophobicContact CG-CG1 3.76Å; P243-V334 HydrophobicContact CG-CG2 3.88Å; H330-V334 PolarHBondContact O-N 3.49Å; H330-V334 VanDerWaalsContact O-N 3.09Å; W331-V334 HydrophobicContact CE3-CB 4.17Å; W331-V334 HydrophobicContact CE3-CG1 4.03Å; W331-V334 HydrophobicContact CH2-CG1 4.37Å; W331-V334 HydrophobicContact CZ3-CB 4.43Å; W331-V334 HydrophobicContact CZ3-CG1 3.78Å; W331-V334 PolarHBondContact O-N 2.97Å; V334-E337 PolarHBondContact O-N 3.36Å; V334-M338 HydrophobicContact CG1-SD 4.42Å; V334-M338 WeakPolarHBondContact O-CG 3.33Å; V334-M338 PolarHBondContact O-N 3.31Å
335	K	82.3	Confident	79.4	Confident	31 Å²	31	68 Å²	68	14%	0.135	35%	0.353	C	S	.	.	H	α-helix	trans	-64.1	-44.4	176.9	-76.4	-178.1	-68.5	175.7	0	112.4	E172 W331 D332 E333 E337 M338 T339	E172-K335 HydrophobicContact CG-CD 3.68Å; E172-K335 HydrophobicContact CG-CG 4.2Å; W331-K335 HydrophobicContact CZ2-CG 4.5Å; W331-K335 PolarHBondContact O-N 3.43Å; W331-K335 VanDerWaalsContact O-N 3.13Å; D332-K335 PolarHBondContact O-N 3.29Å; D332-K335 WeakPolarHBondContact OD1-CE 3.14Å; D332-K335 IonicContact OD1-NZ 2.75Å; D332-K335 PolarHBondContact OD1-NZ 2.97Å; E333-K335 VanDerWaalsContact C-N 3.34Å; E333-K335 PolarHBondContact O-N 3.13Å; K335-E337 VanDerWaalsContact C-N 3.33Å; K335-E337 PolarHBondContact O-N 3.45Å; K335-M338 PolarHBondContact O-N 2.91Å; K335-T339 PolarHBondContact O-N 3.13Å; K335-T339 PolarHBondContact O-OG1 2.94Å
336	E	81.7	Confident	78.7	Confident	150 Å²	150	63.8 Å²	63.8	70%	0.701	33%	0.333	S	S	*	.	H	α-helix	trans	-60.3	-42.2	174.7	-72.8	-162.9	171.2	0	0	112.1	D332 E333 T339 S340	D332-E336 PolarHBondContact O-N 3.38Å; E333-E336 PolarHBondContact O-N 3.29Å; E336-T339 PolarHBondContact O-N 3.32Å; E336-S340 WeakPolarHBondContact O-CB 3.44Å; E336-S340 PolarHBondContact O-N 3.31Å
337	E	77.6	Confident	77.8	Confident	47 Å²	47	60.6 Å²	60.6	22%	0.22	32%	0.321	C	S	.	.	H	α-helix	trans	-65.2	-42.2	176.8	-75.2	-163.2	169.4	0	0	112.9	A252 M257 E333 V334 K335 S340 A341	A252-E337 VanDerWaalsContact O-OE1 3.05Å; M257-E337 WeakPolarHBondContact CE-OE2 3.27Å; E333-E337 WeakPolarHBondContact O-CG 3.31Å; E333-E337 PolarHBondContact O-N 2.76Å; V334-E337 PolarHBondContact O-N 3.36Å; K335-E337 VanDerWaalsContact C-N 3.33Å; K335-E337 PolarHBondContact O-N 3.45Å; E337-S340 WeakPolarHBondContact O-CB 3.46Å; E337-S340 PolarHBondContact O-N 3.05Å; E337-A341 WeakPolarHBondContact O-CB 3.48Å; E337-A341 PolarHBondContact O-N 2.83Å
338	M	79.6	Confident	77.1	Confident	17 Å²	17	61.5 Å²	61.5	8%	0.084	33%	0.326	C	S	.	.	H	α-helix	trans	-60.9	-46.2	174.6	-73.4	-173.2	68.1	0	0	111.2	P171 V233 I234 I237 V334 K335 S340 A341 L342	P171-M338 HydrophobicContact CG-CE 4.13Å; P171-M338 HydrophobicContact CG-SD 3.87Å; V233-M338 HydrophobicContact CB-CE 4.22Å; V233-M338 HydrophobicContact CG1-CE 3.53Å; V233-M338 HydrophobicContact CG1-CG 4.42Å; V233-M338 HydrophobicContact CG1-SD 4.04Å; I234-M338 HydrophobicContact CG1-CE 4.28Å; I237-M338 HydrophobicContact CD1-CE 4.2Å; I237-M338 HydrophobicContact CD1-SD 3.53Å; I237-M338 VanDerWaalsContact CD1-SD 3.53Å; V334-M338 HydrophobicContact CG1-SD 4.42Å; V334-M338 WeakPolarHBondContact O-CG 3.33Å; V334-M338 PolarHBondContact O-N 3.31Å; K335-M338 PolarHBondContact O-N 2.91Å; M338-S340 VanDerWaalsContact C-N 3.32Å; M338-S340 PolarHBondContact O-N 3.42Å; M338-A341 PolarHBondContact O-N 3.13Å; M338-L342 WeakPolarHBondContact O-CG 3.36Å; M338-L342 PolarHBondContact O-N 3.46Å
339	T	81.8	Confident	76.1	Confident	42 Å²	42	60.4 Å²	60.4	26%	0.258	32%	0.319	S	S	.	.	H	α-helix	trans	-59.8	-41	173.9	-74.8	0	0	0	0	111.5	K170 E172 K335 E336 A343	K170-T339 WeakPolarHBondContact CD-OG1 3.48Å; K170-T339 PolarHBondContact NZ-OG1 3.13Å; K170-T339 VanDerWaalsContact NZ-OG1 3.12Å; E172-T339 PolarHBondContact OE1-OG1 3.28Å; K335-T339 PolarHBondContact O-N 3.13Å; K335-T339 PolarHBondContact O-OG1 2.94Å; E336-T339 PolarHBondContact O-N 3.32Å; T339-A343 WeakPolarHBondContact O-CB 3.48Å; T339-A343 PolarHBondContact O-N 2.92Å; T339-A343 VanDerWaalsContact O-N 3.1Å
340	S	76.9	Confident	75.1	Confident	48 Å²	48	58.4 Å²	58.4	34%	0.336	31%	0.308	S	S	.	.	H	α-helix	trans	-65	-42.6	176.4	-159.3	0	0	0	0	112.8	E336 E337 M338 A343 T344	E336-S340 WeakPolarHBondContact O-CB 3.44Å; E336-S340 PolarHBondContact O-N 3.31Å; E337-S340 WeakPolarHBondContact O-CB 3.46Å; E337-S340 PolarHBondContact O-N 3.05Å; M338-S340 VanDerWaalsContact C-N 3.32Å; M338-S340 PolarHBondContact O-N 3.42Å; S340-A343 PolarHBondContact O-N 3.11Å; S340-T344 PolarHBondContact O-N 3.19Å
341	A	74.9	Confident	73.9	Confident	15 Å²	15	60.6 Å²	60.6	12%	0.124	32%	0.319	C	S	.	.	H	α-helix	trans	-63	-49.2	178.5	0	0	0	0	0	110.9	I261 E337 M338 A343 T344 M345	I261-A341 HydrophobicContact CD1-CB 4.17Å; E337-A341 WeakPolarHBondContact O-CB 3.48Å; E337-A341 PolarHBondContact O-N 2.83Å; M338-A341 PolarHBondContact O-N 3.13Å; A341-A343 VanDerWaalsContact C-N 3.32Å; A341-A343 PolarHBondContact O-N 2.77Å; A341-T344 PolarHBondContact O-N 2.88Å; A341-T344 PolarHBondContact O-OG1 3.26Å; A341-M345 PolarHBondContact O-N 3.29Å; A341-M345 VanDerWaalsContact O-N 3.13Å
342	L	76	Confident	72.7	Confident	4 Å²	4	66 Å²	66	2%	0.021	35%	0.354	C	S	.	.	H	α-helix	trans	-61	-39.8	178.3	-64.8	171.8	0	0	0	112.1	K170 S230 M338 T344 M345 R346	K170-L342 HydrophobicContact CB-CD1 4.11Å; S230-L342 VanDerWaalsContact OG-CD2 3.23Å; S230-L342 WeakPolarHBondContact OG-CD2 3.49Å; M338-L342 WeakPolarHBondContact O-CG 3.36Å; M338-L342 PolarHBondContact O-N 3.46Å; L342-T344 PolarHBondContact O-N 2.97Å; L342-M345 PolarHBondContact O-N 3.45Å; L342-R346 VanDerWaalsContact CB-NH2 3.27Å; L342-R346 WeakPolarHBondContact O-CG 3.2Å; L342-R346 PolarHBondContact O-N 3.31Å
343	A	76.4	Confident	71.7	Confident	62 Å²	62	70.2 Å²	70.2	51%	0.512	37%	0.367	S	S	.	.	H	α-helix	trans	-59.2	-29.8	174	0	0	0	0	0	113.2	T339 S340 A341	T339-A343 WeakPolarHBondContact O-CB 3.48Å; T339-A343 PolarHBondContact O-N 2.92Å; T339-A343 VanDerWaalsContact O-N 3.1Å; S340-A343 PolarHBondContact O-N 3.11Å; A341-A343 VanDerWaalsContact C-N 3.32Å; A341-A343 PolarHBondContact O-N 2.77Å
344	T	71.9	Confident	71.3	Confident	86 Å²	86	73.9 Å²	73.9	53%	0.528	39%	0.388	S	S	.	.	H	α-helix	trans	-84.7	-18.6	174.7	65.8	0	0	0	0	114.8	S340 A341 L342	S340-T344 PolarHBondContact O-N 3.19Å; A341-T344 PolarHBondContact O-N 2.88Å; A341-T344 PolarHBondContact O-OG1 3.26Å; L342-T344 PolarHBondContact O-N 2.97Å
345	M	70.3	Confident	71	Confident	42 Å²	42	80.2 Å²	80.2	21%	0.207	42%	0.415	C	S	.	.	H	α-helix	trans	-90.5	-25.8	177.7	-67.8	-173.3	63.7	0	0	112.9	W229 A341 L342 V347	W229-M345 HydrophobicContact CB-CE 3.63Å; W229-M345 HydrophobicContact CB-SD 4.35Å; W229-M345 HydrophobicContact CD2-CE 3.62Å; W229-M345 HydrophobicContact CD2-SD 3.79Å; W229-M345 HydrophobicContact CE3-CE 4.04Å; W229-M345 HydrophobicContact CG-CE 3.45Å; W229-M345 VanDerWaalsContact CG-CE 3.45Å; W229-M345 HydrophobicContact CG-SD 3.64Å; W229-M345 HydrophobicContact CZ2-SD 4.41Å; A341-M345 PolarHBondContact O-N 3.29Å; A341-M345 VanDerWaalsContact O-N 3.13Å; L342-M345 PolarHBondContact O-N 3.45Å; M345-V347 PolarHBondContact O-N 3.06Å
346	R	71.6	Confident	70.8	Confident	26 Å²	26	84.6 Å²	84.6	10%	0.098	44%	0.439	C	S	.	.	S	Bend	trans	-65.1	130.3	170.3	-72	170.6	-160.6	152.7	23.6	110.2	R167 D168 F192 L342 D348	R167-R346 HydrophobicContact CB-CG 4.14Å; R167-R346 PolarHBondContact O-NE 2.8Å; R167-R346 PolarHBondContact O-NH2 3.46Å; D168-R346 VanDerWaalsContact CA-NH2 3.26Å; D168-R346 IonicContact OD1-CZ 3.13Å; D168-R346 IonicContact OD1-NH1 3.23Å; D168-R346 IonicContact OD1-NH2 3.91Å; D168-R346 PolarHBondContact OD1-NH2 3.09Å; F192-R346 VanDerWaalsContact CE1-NH1 3.25Å; L342-R346 VanDerWaalsContact CB-NH2 3.27Å; L342-R346 WeakPolarHBondContact O-CG 3.2Å; L342-R346 PolarHBondContact O-N 3.31Å; R346-D348 PolarHBondContact O-N 3.08Å
347	V	67.2	Low	70.4	Confident	55 Å²	55	83.7 Å²	83.7	33%	0.333	44%	0.439	S	S	.	.			trans	-79	113.5	161.4	-175.6	0	0	0	0	107.6	R167 M345 Y349	R167-V347 PolarHBondContact NH1-O 2.62Å; M345-V347 PolarHBondContact O-N 3.06Å; V347-Y349 HydrophobicContact CB-CD2 4.48Å; V347-Y349 HydrophobicContact CB-CE1 4.41Å; V347-Y349 HydrophobicContact CB-CE2 3.66Å; V347-Y349 WeakPolarHBondContact CB-OH 3.29Å; V347-Y349 HydrophobicContact CG1-CD1 4.19Å; V347-Y349 HydrophobicContact CG1-CD2 4.23Å; V347-Y349 HydrophobicContact CG1-CE1 3.63Å; V347-Y349 HydrophobicContact CG1-CE2 3.67Å; V347-Y349 HydrophobicContact CG1-CG 4.43Å; V347-Y349 WeakPolarHBondContact CG1-OH 3.42Å; V347-Y349 VanDerWaalsContact O-CD2 3.23Å; V347-Y349 WeakPolarHBondContact O-CD2 3.42Å; V347-Y349 WeakPolarHBondContact O-CE2 3.45Å
348	D	63.8	Low	70.3	Confident	82 Å²	82	90.4 Å²	90.4	44%	0.439	47%	0.467	S	S	.	.			trans	-88.2	107.5	171.2	-178.6	10.3	0	0	0	109.6	R346 D350 Q351	R346-D348 PolarHBondContact O-N 3.08Å; D348-D350 VanDerWaalsContact C-N 3.27Å; D348-D350 PolarHBondContact O-N 2.94Å; D348-D350 PolarHBondContact OD1-N 3.48Å; D348-Q351 HydrophobicContact CB-CG 4.01Å; D348-Q351 WeakPolarHBondContact O-CG 3.48Å; D348-Q351 PolarHBondContact O-N 3.46Å
349	Y	59.5	Low	70.2	Confident	102 Å²	102	94 Å²	94	40%	0.4	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-11.5	-177.9	-63	-86.6	0	0	0	112.9	P219 V347 Q351	P219-Y349 HydrophobicContact CB-CE1 4.03Å; P219-Y349 WeakPolarHBondContact CB-OH 3.5Å; V347-Y349 HydrophobicContact CB-CD2 4.48Å; V347-Y349 HydrophobicContact CB-CE1 4.41Å; V347-Y349 HydrophobicContact CB-CE2 3.66Å; V347-Y349 WeakPolarHBondContact CB-OH 3.29Å; V347-Y349 HydrophobicContact CG1-CD1 4.19Å; V347-Y349 HydrophobicContact CG1-CD2 4.23Å; V347-Y349 HydrophobicContact CG1-CE1 3.63Å; V347-Y349 HydrophobicContact CG1-CE2 3.67Å; V347-Y349 HydrophobicContact CG1-CG 4.43Å; V347-Y349 WeakPolarHBondContact CG1-OH 3.42Å; V347-Y349 VanDerWaalsContact O-CD2 3.23Å; V347-Y349 WeakPolarHBondContact O-CD2 3.42Å; V347-Y349 WeakPolarHBondContact O-CE2 3.45Å; Y349-Q351 VanDerWaalsContact C-N 3.29Å
350	D	56.7	Low	70.2	Confident	105 Å²	105	93.1 Å²	93.1	56%	0.561	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	1.3	174.7	-64.7	-37.8	0	0	0	112.6	K82 D348 V352	K82-D350 WeakPolarHBondContact CE-OD2 3.3Å; K82-D350 IonicContact NZ-OD2 3.37Å; K82-D350 PolarHBondContact NZ-OD2 3.33Å; D348-D350 VanDerWaalsContact C-N 3.27Å; D348-D350 PolarHBondContact O-N 2.94Å; D348-D350 PolarHBondContact OD1-N 3.48Å; D350-V352 PolarHBondContact O-N 3.43Å
351	Q	55.5	Low	70.3	Confident	138 Å²	138	97 Å²	97	65%	0.645	50%	0.503	S	S	*	.	S	Bend	trans	-57.1	131.2	171.5	-73.8	-170.8	16.6	0	0	110.7	D348 Y349 K353	D348-Q351 HydrophobicContact CB-CG 4.01Å; D348-Q351 WeakPolarHBondContact O-CG 3.48Å; D348-Q351 PolarHBondContact O-N 3.46Å; Y349-Q351 VanDerWaalsContact C-N 3.29Å; Q351-K353 PolarHBondContact O-N 3.04Å
352	V	57.7	Low	70.8	Confident	136 Å²	136	100.7 Å²	100.7	82%	0.824	52%	0.52	S	S	*	.			trans	-56	108.4	-179	-179.4	0	0	0	0	109.5	D350 I354	D350-V352 PolarHBondContact O-N 3.43Å; V352-I354 PolarHBondContact O-N 3.01Å
353	K	62.9	Low	71.1	Confident	191 Å²	191	110.1 Å²	110.1	83%	0.83	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-53.6	116.9	173.9	-68.5	-173.8	179.2	-178	0	108.9	Q351 K355	Q351-K353 PolarHBondContact O-N 3.04Å; K353-K355 PolarHBondContact O-N 3.21Å; K353-K355 VanDerWaalsContact O-N 3.09Å
354	I	71.9	Confident	71.4	Confident	161 Å²	161	112.2 Å²	112.2	83%	0.826	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-61.2	117	178.9	-60.9	176.9	0	0	0	107.4	V352	V352-I354 PolarHBondContact O-N 3.01Å
355	K	75	Confident	72	Confident	145 Å²	145	110.3 Å²	110.3	63%	0.63	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-60.2	139.7	176.3	-65.7	-176.2	-179.7	-176.2	0	109.4	K353 S360	K353-K355 PolarHBondContact O-N 3.21Å; K353-K355 VanDerWaalsContact O-N 3.09Å; K355-S360 PolarHBondContact O-OG 2.9Å
356	D	77.2	Confident	72.7	Confident	122 Å²	122	111 Å²	111	65%	0.652	55%	0.548	S	S	*	.			trans	-42.5	146.4	175.3	-72.8	-46.7	0	0	0	112.3	K358 T359 S360	D356-K358 CarbonylContact O-C 3.59Å; D356-K358 PolarHBondContact O-N 2.88Å; D356-T359 PolarHBondContact N-OG1 3.48Å; D356-T359 CarbonylContact O-C 3.57Å; D356-T359 PolarHBondContact O-N 3.02Å; D356-T359 PolarHBondContact O-OG1 3.49Å; D356-S360 WeakPolarHBondContact O-CB 3.47Å; D356-S360 PolarHBondContact O-N 3.06Å
357	L	73.9	Confident	73.2	Confident	132 Å²	132	116.3 Å²	116.3	69%	0.691	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.2	-22.2	-179.8	-163.2	69.6	0	0	0	113.3	L365 R369	L357-L365 HydrophobicContact CD1-CD1 4.37Å; L357-L365 HydrophobicContact CD1-CD2 3.73Å; L357-L365 HydrophobicContact CG-CD2 4.49Å; L357-R369 PolarHBondContact O-NH2 3.27Å
358	K	75.4	Confident	74.1	Confident	188 Å²	188	121.9 Å²	121.9	82%	0.817	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	-51.1	172.8	-63.7	177.8	-178.2	174.7	0	111.9	D356 R369	D356-K358 CarbonylContact O-C 3.59Å; D356-K358 PolarHBondContact O-N 2.88Å; K358-R369 PolarHBondContact O-NH2 3.47Å
359	T	77.2	Confident	75	Confident	93 Å²	93	122.2 Å²	122.2	57%	0.571	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-14.2	-174.8	57.8	0	0	0	0	113.9	D356	D356-T359 PolarHBondContact N-OG1 3.48Å; D356-T359 CarbonylContact O-C 3.57Å; D356-T359 PolarHBondContact O-N 3.02Å; D356-T359 PolarHBondContact O-OG1 3.49Å
360	S	81.4	Confident	76	Confident	23 Å²	23	124.4 Å²	124.4	16%	0.161	59%	0.594	C	S	.	*			trans	-64.1	133.4	170.9	-96.7	0	0	0	0	112.3	K355 D356 R369	K355-S360 PolarHBondContact O-OG 2.9Å; D356-S360 WeakPolarHBondContact O-CB 3.47Å; D356-S360 PolarHBondContact O-N 3.06Å; S360-R369 PolarHBondContact O-NH1 3.08Å
361	N	79.6	Confident	77.1	Confident	130 Å²	130	127 Å²	127	70%	0.695	60%	0.6	S	S	*	*			trans	-130.5	111.5	178.8	-174.2	6.3	0	0	0	109.8	N366	N361-N366 PolarHBondContact OD1-ND2 3Å
362	N	86.3	Confident	78.2	Confident	91 Å²	91	127.3 Å²	127.3	49%	0.487	60%	0.602	S	S	.	*			trans	-146.1	146.9	178.7	180	-56.2	0	0	0	109.3	L364 L365 N366	N362-L364 PolarHBondContact O-N 3.35Å; N362-L364 VanDerWaalsContact O-N 3.15Å; N362-L364 PolarHBondContact OD1-N 3.23Å; N362-L365 HydrophobicContact CB-CB 4.39Å; N362-L365 HydrophobicContact CB-CD1 4.35Å; N362-L365 WeakPolarHBondContact O-CB 3.43Å; N362-L365 PolarHBondContact O-N 3.16Å; N362-L365 VanDerWaalsContact O-N 3.09Å; N362-N366 PolarHBondContact O-N 3.46Å
363	R	80.9	Confident	78.9	Confident	203 Å²	203	128.7 Å²	128.7	77%	0.766	60%	0.597	S	S	*	*	H	α-helix	trans	-47.1	-40.9	177.2	-167.3	179.9	-172.9	-160.8	3.7	113.5	K367	R363-K367 WeakPolarHBondContact O-CG 3.43Å; R363-K367 PolarHBondContact O-N 2.89Å; R363-K367 VanDerWaalsContact O-N 3.09Å
364	L	82.9	Confident	79.1	Confident	106 Å²	106	126 Å²	126	56%	0.555	59%	0.587	S	S	*	*	H	α-helix	trans	-72	-45.3	179.5	-171	68.7	0	0	0	112.1	N362 N366 K367 R368	N362-L364 PolarHBondContact O-N 3.35Å; N362-L364 VanDerWaalsContact O-N 3.15Å; N362-L364 PolarHBondContact OD1-N 3.23Å; L364-N366 VanDerWaalsContact C-N 3.31Å; L364-N366 PolarHBondContact O-N 3.09Å; L364-K367 PolarHBondContact O-N 3.17Å; L364-R368 PolarHBondContact O-N 3.01Å
365	L	84.3	Confident	78.6	Confident	46 Å²	46	121.4 Å²	121.4	24%	0.241	57%	0.573	C	S	.	*	H	α-helix	trans	-58.7	-43	174.4	-93.2	163	0	0	0	111.4	L357 N362 R368 R369	L357-L365 HydrophobicContact CD1-CD1 4.37Å; L357-L365 HydrophobicContact CD1-CD2 3.73Å; L357-L365 HydrophobicContact CG-CD2 4.49Å; N362-L365 HydrophobicContact CB-CB 4.39Å; N362-L365 HydrophobicContact CB-CD1 4.35Å; N362-L365 WeakPolarHBondContact O-CB 3.43Å; N362-L365 PolarHBondContact O-N 3.16Å; N362-L365 VanDerWaalsContact O-N 3.09Å; L365-R368 PolarHBondContact O-N 3.33Å; L365-R369 WeakPolarHBondContact O-CB 3.4Å; L365-R369 WeakPolarHBondContact O-CG 3.43Å; L365-R369 PolarHBondContact O-N 2.81Å
366	N	84.7	Confident	77.6	Confident	55 Å²	55	117 Å²	117	29%	0.294	57%	0.569	S	S	.	*	H	α-helix	trans	-68.1	-38.2	179.2	-67	-16	0	0	0	112.5	N361 N362 L364 K370	N361-N366 PolarHBondContact OD1-ND2 3Å; N362-N366 PolarHBondContact O-N 3.46Å; L364-N366 VanDerWaalsContact C-N 3.31Å; L364-N366 PolarHBondContact O-N 3.09Å; N366-K370 WeakPolarHBondContact O-CB 3.21Å; N366-K370 WeakPolarHBondContact O-CG 3.14Å; N366-K370 PolarHBondContact O-N 3.09Å
367	K	84.1	Confident	76.5	Confident	138 Å²	138	116.4 Å²	116.4	60%	0.6	57%	0.57	S	S	*	*	H	α-helix	trans	-59.7	-45.9	171	-80.2	-173.7	174.6	-170.2	0	111.5	R363 L364 K370 K371	R363-K367 WeakPolarHBondContact O-CG 3.43Å; R363-K367 PolarHBondContact O-N 2.89Å; R363-K367 VanDerWaalsContact O-N 3.09Å; L364-K367 PolarHBondContact O-N 3.17Å; K367-K370 PolarHBondContact O-N 3.07Å; K367-K371 PolarHBondContact O-N 3.07Å; K367-K371 VanDerWaalsContact O-N 3.08Å
368	R	84.2	Confident	75.3	Confident	173 Å²	173	114.9 Å²	114.9	65%	0.653	57%	0.57	S	S	*	*	H	α-helix	trans	-65.6	-45.9	178.2	-71.1	-174.7	176.7	-172.5	-0.7	112.4	L364 L365 K370 K371 Q372	L364-R368 PolarHBondContact O-N 3.01Å; L365-R368 PolarHBondContact O-N 3.33Å; R368-K370 PolarHBondContact O-N 2.84Å; R368-K371 PolarHBondContact O-N 3.13Å; R368-Q372 PolarHBondContact O-N 2.91Å
369	R	84.3	Confident	74.1	Confident	88 Å²	88	110.9 Å²	110.9	33%	0.332	57%	0.566	S	S	.	*	H	α-helix	trans	-58.4	-41.9	174.8	-74.5	170.8	170.8	-175.6	-7.9	112.4	L357 K358 S360 L365 K373	L357-R369 PolarHBondContact O-NH2 3.27Å; K358-R369 PolarHBondContact O-NH2 3.47Å; S360-R369 PolarHBondContact O-NH1 3.08Å; L365-R369 WeakPolarHBondContact O-CB 3.4Å; L365-R369 WeakPolarHBondContact O-CG 3.43Å; L365-R369 PolarHBondContact O-N 2.81Å; R369-K373 WeakPolarHBondContact O-CG 3.26Å; R369-K373 PolarHBondContact O-N 3.29Å
370	K	80.3	Confident	72.6	Confident	148 Å²	148	110.7 Å²	110.7	64%	0.643	57%	0.574	S	S	*	*	H	α-helix	trans	-63.4	-45.2	174.7	-77.2	-173.6	176.8	-167.8	0	112	N366 K367 R368 Q372 K373 Q374	N366-K370 WeakPolarHBondContact O-CB 3.21Å; N366-K370 WeakPolarHBondContact O-CG 3.14Å; N366-K370 PolarHBondContact O-N 3.09Å; K367-K370 PolarHBondContact O-N 3.07Å; R368-K370 PolarHBondContact O-N 2.84Å; K370-Q372 PolarHBondContact O-N 3.23Å; K370-K373 PolarHBondContact O-N 3.4Å; K370-Q374 WeakPolarHBondContact O-CG 3.36Å; K370-Q374 PolarHBondContact O-N 3.48Å
371	K	80.3	Confident	70.6	Confident	159 Å²	159	114.1 Å²	114.1	69%	0.691	60%	0.604	S	S	*	*	H	α-helix	trans	-64	-39.2	178.3	-165.5	175.2	-177.5	-178.8	0	112.4	K367 R368 Q374 A375	K367-K371 PolarHBondContact O-N 3.07Å; K367-K371 VanDerWaalsContact O-N 3.08Å; R368-K371 PolarHBondContact O-N 3.13Å; K371-Q374 PolarHBondContact O-N 2.95Å; K371-A375 PolarHBondContact O-N 3.49Å
372	Q	76.9	Confident	68.9	Low	145 Å²	145	114.2 Å²	114.2	68%	0.678	61%	0.611	S	S	*	*	H	α-helix	trans	-64.5	-42.7	173.5	-78.4	177.3	-35.5	0	0	112.5	R368 K370 Q374 A375 G376	R368-Q372 PolarHBondContact O-N 2.91Å; K370-Q372 PolarHBondContact O-N 3.23Å; Q372-Q374 VanDerWaalsContact C-N 3.34Å; Q372-Q374 PolarHBondContact O-N 3Å; Q372-A375 PolarHBondContact O-N 2.69Å; Q372-G376 PolarHBondContact O-N 2.81Å
373	K	73.3	Confident	66.7	Low	165 Å²	165	113.3 Å²	113.3	72%	0.717	62%	0.623	S	S	*	*	H	α-helix	trans	-61.2	-42.1	175	-75.8	-170.1	174.2	-164.1	0	112.3	R369 K370 G376 T377	R369-K373 WeakPolarHBondContact O-CG 3.26Å; R369-K373 PolarHBondContact O-N 3.29Å; K370-K373 PolarHBondContact O-N 3.4Å; K373-G376 PolarHBondContact O-N 3.11Å; K373-T377 PolarHBondContact O-N 2.86Å; K373-T377 PolarHBondContact O-OG1 3.38Å
374	Q	67.8	Low	64.6	Low	135 Å²	135	109.5 Å²	109.5	63%	0.631	63%	0.627	S	S	*	*	H	α-helix	trans	-65.2	-37.7	177.3	-73.5	172.3	-33.1	0	0	112.9	K370 K371 Q372 T377	K370-Q374 WeakPolarHBondContact O-CG 3.36Å; K370-Q374 PolarHBondContact O-N 3.48Å; K371-Q374 PolarHBondContact O-N 2.95Å; Q372-Q374 VanDerWaalsContact C-N 3.34Å; Q372-Q374 PolarHBondContact O-N 3Å; Q374-T377 WeakPolarHBondContact CA-OG1 3.22Å; Q374-T377 PolarHBondContact O-N 2.89Å; Q374-T377 PolarHBondContact O-OG1 2.56Å
375	A	60.7	Low	62.5	Low	65 Å²	65	112.5 Å²	112.5	54%	0.537	64%	0.643	S	S	.	*	H	α-helix	trans	-71.7	-28.9	175.5	0	0	0	0	0	113.4	K371 Q372 S378	K371-A375 PolarHBondContact O-N 3.49Å; Q372-A375 PolarHBondContact O-N 2.69Å; A375-S378 PolarHBondContact O-OG 3.16Å
376	G	55	Low	60.3	Low	51 Å²	51	117.6 Å²	117.6	53%	0.526	67%	0.67	S	S	.	*	H	α-helix	trans	-76.8	-20.7	174.9	0	0	0	0	0	114.3	Q372 K373	Q372-G376 PolarHBondContact O-N 2.81Å; K373-G376 PolarHBondContact O-N 3.11Å
377	T	52.7	Low	58.1	Low	110 Å²	110	127.9 Å²	127.9	68%	0.675	72%	0.717	S	S	*	*	S	Bend	trans	-86.4	-9	178	43.2	0	0	0	0	114.4	K373 Q374	K373-T377 PolarHBondContact O-N 2.86Å; K373-T377 PolarHBondContact O-OG1 3.38Å; Q374-T377 WeakPolarHBondContact CA-OG1 3.22Å; Q374-T377 PolarHBondContact O-N 2.89Å; Q374-T377 PolarHBondContact O-OG1 2.56Å
378	S	49.9	Very low	56.8	Low	100 Å²	100	127.4 Å²	127.4	70%	0.699	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	4.4	-176.9	48.7	0	0	0	0	115.1	A375	A375-S378 PolarHBondContact O-OG 3.16Å
379	S	49.3	Very low	55.4	Low	105 Å²	105	125 Å²	125	73%	0.734	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.6	18.2	-179.5	64.9	0	0	0	0	114.4
380	A	45.2	Very low	53.7	Low	89 Å²	89	127.1 Å²	127.1	74%	0.736	75%	0.748	S	S	*	*			trans	-125.7	76.1	176.5	0	0	0	0	0	110.5
381	A	40.8	Very low	52.2	Low	95 Å²	95	125.8 Å²	125.8	79%	0.785	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-84.2	139.1	162.3	0	0	0	0	0	109.1
382	P	43.6	Very low	50.4	Low	131 Å²	131	123.8 Å²	123.8	85%	0.851	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-69.1	140.3	179.1	-15.5	30.1	0	0	0	111.5
383	G	38.7	Very low	48.7	Very low	72 Å²	72	122.3 Å²	122.3	74%	0.742	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-69.1	149	172	0	0	0	0	0	112.2	N385	G383-N385 PolarHBondContact O-N 3.14Å
384	C	37.6	Very low	46.9	Very low	124 Å²	124	119.3 Å²	119.3	84%	0.838	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-58.3	133.6	169.5	-66.2	0	0	0	0	111
385	N	38.8	Very low	45.3	Very low	168 Å²	168	118.1 Å²	118.1	90%	0.898	78%	0.778	S	S	*	*			trans	-104	120.8	155.1	-104.8	5.4	0	0	0	108.2	G383	G383-N385 PolarHBondContact O-N 3.14Å
386	N	39.3	Very low	44	Very low	153 Å²	153	122.5 Å²	122.5	82%	0.818	80%	0.798	S	S	*	*			trans	-93.1	114.3	165.8	-80.9	-13.3	0	0	0	108.7
387	Q	37.4	Very low	43	Very low	272 Å²	272	129 Å²	129	100%	1.271	82%	0.822	S	S	*	*			trans	179.3	0	131.2	-99.2	174	23.3	0	0	109.9

Retrieved 387 of 387 residues in 282.5 ms (Link to these results)

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