A0A3Q0KQJ5_SCHMA Loading...

Putative heat shock protein 70 (Hsp70)-interacting protein

Co-chaperone that recruits molecular chaperones Hsp90 (HSC82 and HSP82) and Hsp70 (SSA1) to nascent polypeptides, facilitating their proper folding into functional proteins. Client proteins include eukaryotic elongation factor eEF2, a key player in cellular translation. Stimulates SSA1 ATPase activity, but not Hsp90 ATPase activity.

AlphaFold DB , UniProt , Accession A0A3Q0KQJ5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 354 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	33.9	Very low	38	Very low	253 Å²	253	149.5 Å²	149.5	100%	1.246	86%	0.86	S	S	*	*				0	98	0	-74.8	179.3	-172.3	0	0	107.8
2	S	36.7	Very low	37.7	Very low	117 Å²	117	152.1 Å²	152.1	82%	0.818	86%	0.859	S	S	*	*			trans	-142.8	110.1	-177.3	-179.6	0	0	0	0	107.2
3	V	38.2	Very low	37.8	Very low	147 Å²	147	152.8 Å²	152.8	89%	0.891	86%	0.859	S	S	*	*			trans	-135.9	124.4	164.8	-176.8	0	0	0	0	105.8
4	A	40.1	Very low	37.8	Very low	90 Å²	90	149.2 Å²	149.2	74%	0.744	85%	0.849	S	S	*	*			trans	-65.3	136.7	-160.1	0	0	0	0	0	113.6	N6	A4-N6 PolarHBondContact O-N 3.1Å
5	K	40.2	Very low	38.2	Very low	208 Å²	208	149.4 Å²	149.4	90%	0.904	85%	0.847	S	S	*	*			trans	-69.3	106.1	163.4	-72.9	176.4	174.4	178.7	0	108	S7	K5-S7 PolarHBondContact O-N 2.96Å
6	N	41.1	Very low	39	Very low	160 Å²	160	150.4 Å²	150.4	86%	0.856	85%	0.849	S	S	*	*			trans	-69.9	110.2	166.8	-117	-0.5	0	0	0	108.1	A4 L8	A4-N6 PolarHBondContact O-N 3.1Å; N6-L8 PolarHBondContact O-N 3.31Å
7	S	40.5	Very low	40	Very low	106 Å²	106	147 Å²	147	74%	0.741	84%	0.844	S	S	*	*			trans	-68.6	117.2	172.8	46.3	0	0	0	0	109.9	K5 S9	K5-S7 PolarHBondContact O-N 2.96Å; S7-S9 PolarHBondContact O-N 3.41Å
8	L	38.4	Very low	41.2	Very low	177 Å²	177	145.5 Å²	145.5	93%	0.927	83%	0.831	S	S	*	*			trans	-62.3	106.3	168	-74	151.2	0	0	0	109.1	N6	N6-L8 PolarHBondContact O-N 3.31Å
9	S	37	Very low	42.8	Very low	105 Å²	105	143 Å²	143	73%	0.734	82%	0.815	S	S	*	*			trans	-83.6	113.4	167.4	53.4	0	0	0	0	109.3	S7 T11	S7-S9 PolarHBondContact O-N 3.41Å; S9-T11 PolarHBondContact O-N 3.4Å
10	N	34.3	Very low	44	Very low	163 Å²	163	144.6 Å²	144.6	87%	0.872	81%	0.808	S	S	*	*			trans	-64.2	120.3	161.6	-85.9	-18.9	0	0	0	110.1
11	T	37.1	Very low	45.2	Very low	119 Å²	119	143.2 Å²	143.2	73%	0.73	80%	0.799	S	S	*	*			trans	-148	94.3	152.8	44.2	0	0	0	0	105.4	S9	S9-T11 PolarHBondContact O-N 3.4Å
12	E	35.3	Very low	46.8	Very low	180 Å²	180	134.8 Å²	134.8	84%	0.841	76%	0.759	S	S	*	*				57.4	98.9	104	-71.4	-173.9	170.8	0	0	114
13	N	38.6	Very low	48.2	Very low	161 Å²	161	132.2 Å²	132.2	86%	0.861	73%	0.734	S	S	*	*				-173.5	113.2	122	-93.8	-24.2	0	0	0	111.6
14	S	37.5	Very low	49.6	Very low	103 Å²	103	129.5 Å²	129.5	72%	0.72	72%	0.718	S	S	*	*			trans	-60.9	126.7	160.6	49.7	0	0	0	0	111.1
15	N	44.7	Very low	50.7	Low	152 Å²	152	129.8 Å²	129.8	81%	0.813	71%	0.707	S	S	*	*			trans	-166.5	17	145.2	-99.8	-4.3	0	0	0	115	A17	N15-A17 PolarHBondContact O-N 3.31Å
16	D	50.1	Low	52.1	Low	165 Å²	165	122.7 Å²	122.7	88%	0.882	68%	0.677	S	S	*	*			trans	-84.3	49.6	174.7	-61.8	-24.4	0	0	0	111.7	I18	D16-I18 PolarHBondContact O-N 2.99Å
17	A	55.7	Low	53.1	Low	93 Å²	93	117 Å²	117	77%	0.769	65%	0.649	S	S	*	*			trans	-67.8	103	166.4	0	0	0	0	0	107.2	N15 D19	N15-A17 PolarHBondContact O-N 3.31Å; A17-D19 PolarHBondContact O-N 2.71Å
18	I	61.6	Low	54.3	Low	120 Å²	120	115.2 Å²	115.2	62%	0.615	64%	0.64	S	S	*	*			trans	-56.6	114.2	175	-61.8	171.6	0	0	0	107.4	D16 W20	D16-I18 PolarHBondContact O-N 2.99Å; I18-W20 PolarHBondContact O-N 2.51Å
19	D	71.5	Confident	55.9	Low	98 Å²	98	113.4 Å²	113.4	52%	0.524	63%	0.625	S	S	.	*			trans	-70.8	100.1	174.3	-172.1	-14.7	0	0	0	108.7	A17 D21 D22 M23	A17-D19 PolarHBondContact O-N 2.71Å; D19-D21 PolarHBondContact O-N 3.02Å; D19-D21 WeakPolarHBondContact OD1-CB 3.3Å; D19-D21 PolarHBondContact OD1-N 3.18Å; D19-D22 HydrophobicContact CB-CB 3.88Å; D19-D22 PolarHBondContact O-N 2.82Å; D19-D22 PolarHBondContact OD1-N 3.26Å; D19-M23 PolarHBondContact O-N 3.18Å; D19-M23 VanDerWaalsContact O-N 3.09Å
20	W	67.6	Low	57.2	Low	175 Å²	175	110.1 Å²	110.1	66%	0.663	61%	0.608	S	S	*	*	H	α-helix	trans	-67.1	-26.6	179.5	-76.5	84.4	0	0	0	112.4	I18 M23 V24	I18-W20 PolarHBondContact O-N 2.51Å; W20-M23 HydrophobicContact CD2-CE 4.38Å; W20-M23 HydrophobicContact CE3-CE 3.48Å; W20-M23 VanDerWaalsContact CE3-CE 3.48Å; W20-M23 HydrophobicContact CH2-CE 4.22Å; W20-M23 HydrophobicContact CZ3-CE 3.39Å; W20-M23 PolarHBondContact O-N 2.62Å; W20-V24 VanDerWaalsContact O-CG2 3.31Å; W20-V24 WeakPolarHBondContact O-CG2 3.27Å; W20-V24 PolarHBondContact O-N 3.48Å; W20-V24 VanDerWaalsContact O-N 3.1Å
21	D	68	Low	58.5	Low	116 Å²	116	107 Å²	107	62%	0.62	61%	0.605	S	S	*	*	H	α-helix	trans	-72.3	-39.7	178	-161.1	55.7	0	0	0	110.3	D19 V24 N25	D19-D21 PolarHBondContact O-N 3.02Å; D19-D21 WeakPolarHBondContact OD1-CB 3.3Å; D19-D21 PolarHBondContact OD1-N 3.18Å; D21-V24 PolarHBondContact O-N 3.33Å; D21-N25 PolarHBondContact O-N 2.8Å; D21-N25 PolarHBondContact O-ND2 3.41Å
22	D	69.2	Low	59.6	Low	76 Å²	76	108.8 Å²	108.8	41%	0.406	61%	0.61	S	S	.	*	H	α-helix	trans	-63	-42.6	171.5	-167.2	51	0	0	0	111.6	D19 V24 N25 H26 H40	D19-D22 HydrophobicContact CB-CB 3.88Å; D19-D22 PolarHBondContact O-N 2.82Å; D19-D22 PolarHBondContact OD1-N 3.26Å; D22-V24 PolarHBondContact O-N 3.41Å; D22-N25 CarbonylContact O-C 3.52Å; D22-N25 PolarHBondContact O-N 2.9Å; D22-H26 WeakPolarHBondContact O-CB 3.48Å; D22-H26 PolarHBondContact O-N 3.01Å; D22-H40 IonicContact OD1-CD2 3.45Å; D22-H40 IonicContact OD1-NE2 3.7Å; D22-H40 PolarHBondContact OD1-NE2 3.25Å
23	M	66.2	Low	60.8	Low	63 Å²	63	105.9 Å²	105.9	31%	0.31	60%	0.599	S	S	.	*	H	α-helix	trans	-65.4	-37.3	179.8	-165.4	-177.2	72.7	0	0	113.2	D19 W20 N25 H26 F29	D19-M23 PolarHBondContact O-N 3.18Å; D19-M23 VanDerWaalsContact O-N 3.09Å; W20-M23 HydrophobicContact CD2-CE 4.38Å; W20-M23 HydrophobicContact CE3-CE 3.48Å; W20-M23 VanDerWaalsContact CE3-CE 3.48Å; W20-M23 HydrophobicContact CH2-CE 4.22Å; W20-M23 HydrophobicContact CZ3-CE 3.39Å; W20-M23 PolarHBondContact O-N 2.62Å; M23-N25 VanDerWaalsContact C-N 3.33Å; M23-H26 WeakPolarHBondContact O-CB 3.37Å; M23-H26 PolarHBondContact O-N 3.44Å; M23-F29 HydrophobicContact CG-CD2 3.69Å; M23-F29 HydrophobicContact CG-CE2 3.9Å
24	V	67	Low	61.8	Low	90 Å²	90	102.6 Å²	102.6	55%	0.545	58%	0.581	S	S	.	*	H	α-helix	trans	-68	-36	177.1	171	0	0	0	0	111.2	W20 D21 D22 H26 G30	W20-V24 VanDerWaalsContact O-CG2 3.31Å; W20-V24 WeakPolarHBondContact O-CG2 3.27Å; W20-V24 PolarHBondContact O-N 3.48Å; W20-V24 VanDerWaalsContact O-N 3.1Å; D21-V24 PolarHBondContact O-N 3.33Å; D22-V24 PolarHBondContact O-N 3.41Å; V24-H26 VanDerWaalsContact C-N 3.34Å; V24-G30 WeakPolarHBondContact O-CA 3.27Å
25	N	63.2	Low	62.7	Low	95 Å²	95	103.7 Å²	103.7	51%	0.508	59%	0.586	S	S	.	*	H	α-helix	trans	-84.8	-8.2	177.2	-66.5	-46.3	0	0	0	113.3	D21 D22 M23	D21-N25 PolarHBondContact O-N 2.8Å; D21-N25 PolarHBondContact O-ND2 3.41Å; D22-N25 CarbonylContact O-C 3.52Å; D22-N25 PolarHBondContact O-N 2.9Å; M23-N25 VanDerWaalsContact C-N 3.33Å
26	H	68.8	Low	63.3	Low	60 Å²	60	105.7 Å²	105.7	28%	0.278	59%	0.588	S	S	.	*	S	Bend	trans	-65.7	133.4	177.6	-171.5	-88.2	0	0	0	110.4	D22 M23 V24 A28 F29 G30	D22-H26 WeakPolarHBondContact O-CB 3.48Å; D22-H26 PolarHBondContact O-N 3.01Å; M23-H26 WeakPolarHBondContact O-CB 3.37Å; M23-H26 PolarHBondContact O-N 3.44Å; V24-H26 VanDerWaalsContact C-N 3.34Å; H26-A28 VanDerWaalsContact ND1-CB 3.3Å; H26-A28 WeakPolarHBondContact ND1-CB 3.27Å; H26-A28 PolarHBondContact ND1-N 2.94Å; H26-A28 PolarHBondContact O-N 2.67Å; H26-F29 HydrophobicContact CB-CD2 4.14Å; H26-F29 PolarHBondContact O-N 3.2Å; H26-G30 PolarHBondContact O-N 3.22Å
27	P	62	Low	63.7	Low	40 Å²	40	100.4 Å²	100.4	26%	0.26	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.2	-18.5	-174.2	20.1	-33.1	0	0	0	115.1	A42 T43 L46	P27-A42 HydrophobicContact CG-CB 3.87Å; P27-T43 HydrophobicContact CB-CG2 4.21Å; P27-T43 WeakPolarHBondContact CB-OG1 3.46Å; P27-T43 WeakPolarHBondContact CG-OG1 3.44Å; P27-L46 HydrophobicContact CB-CD1 3.78Å; P27-L46 HydrophobicContact CG-CD1 3.6Å
28	A	66.5	Low	63.7	Low	69 Å²	69	99.6 Å²	99.6	57%	0.57	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	-22.9	175.4	0	0	0	0	0	113.8	H26	H26-A28 VanDerWaalsContact ND1-CB 3.3Å; H26-A28 WeakPolarHBondContact ND1-CB 3.27Å; H26-A28 PolarHBondContact ND1-N 2.94Å; H26-A28 PolarHBondContact O-N 2.67Å
29	F	72.3	Confident	63.6	Low	139 Å²	139	96.5 Å²	96.5	61%	0.61	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.3	-20.6	-170.3	-52.4	-65.4	0	0	0	114.1	M23 H26 A31	M23-F29 HydrophobicContact CG-CD2 3.69Å; M23-F29 HydrophobicContact CG-CE2 3.9Å; H26-F29 HydrophobicContact CB-CD2 4.14Å; H26-F29 PolarHBondContact O-N 3.2Å; F29-A31 PolarHBondContact O-N 3.03Å
30	G	65.2	Low	63.6	Low	36 Å²	36	94.1 Å²	94.1	37%	0.371	54%	0.538	S	S	.	.			trans	-66.1	128.9	177.5	0	0	0	0	0	112.8	V24 H26	V24-G30 WeakPolarHBondContact O-CA 3.27Å; H26-G30 PolarHBondContact O-N 3.22Å
31	A	61.2	Low	63.8	Low	98 Å²	98	90.1 Å²	90.1	81%	0.81	53%	0.534	S	S	*	.	S	Bend	trans	-73.1	-31.1	179.9	0	0	0	0	0	113	F29	F29-A31 PolarHBondContact O-N 3.03Å
32	D	60.4	Low	63.9	Low	155 Å²	155	85.9 Å²	85.9	83%	0.829	52%	0.515	S	S	*	.			trans	-140.8	140.3	-178.1	-72.4	-53.9	0	0	0	110.6
33	I	59.7	Low	63.9	Low	119 Å²	119	83.1 Å²	83.1	61%	0.61	50%	0.501	S	S	*	.			trans	-92.5	116.4	171.2	-57.2	171.4	0	0	0	107	P35 L39 T43	I33-P35 VanDerWaalsContact O-CD 3.25Å; I33-P35 WeakPolarHBondContact O-CD 3.08Å; I33-L39 HydrophobicContact CG2-CD1 3.76Å; I33-T43 HydrophobicContact CD1-CG2 4.39Å
34	D	60.2	Low	64.2	Low	92 Å²	92	85.5 Å²	85.5	49%	0.492	51%	0.511	S	S	.	.			trans	-71	116.1	170.9	-178.5	1.1	0	0	0	109.4	K36 A37	D34-K36 PolarHBondContact O-N 3.33Å; D34-K36 WeakPolarHBondContact OD1-CB 3.48Å; D34-K36 PolarHBondContact OD1-N 3.16Å; D34-A37 HydrophobicContact CB-CB 3.98Å; D34-A37 PolarHBondContact O-N 3.29Å
35	P	56.7	Low	64.4	Low	126 Å²	126	83.6 Å²	83.6	82%	0.818	51%	0.505	S	S	*	.	S	Bend	trans	-70.5	-9.9	179.1	25.9	-29.6	0	0	0	113.9	I33	I33-P35 VanDerWaalsContact O-CD 3.25Å; I33-P35 WeakPolarHBondContact O-CD 3.08Å
36	K	57.3	Low	64.7	Low	195 Å²	195	83.5 Å²	83.5	85%	0.848	50%	0.504	S	S	*	.	S	Bend	trans	-96.5	-26.6	177.5	-65.2	-175.5	-178.8	178.1	0	113.4	D34	D34-K36 PolarHBondContact O-N 3.33Å; D34-K36 WeakPolarHBondContact OD1-CB 3.48Å; D34-K36 PolarHBondContact OD1-N 3.16Å
37	A	58.2	Low	64.6	Low	54 Å²	54	85.4 Å²	85.4	45%	0.446	51%	0.513	S	S	.	.	S	Bend	trans	-75.1	136.3	168.1	0	0	0	0	0	108.3	D34 L39	D34-A37 HydrophobicContact CB-CB 3.98Å; D34-A37 PolarHBondContact O-N 3.29Å; A37-L39 PolarHBondContact O-N 3.29Å
38	G	54.4	Low	64.9	Low	76 Å²	76	86.1 Å²	86.1	78%	0.784	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-52.6	142.2	173.2	0	0	0	0	0	110.4	H40	G38-H40 PolarHBondContact O-N 3.02Å
39	L	60.2	Low	65	Low	54 Å²	54	87.4 Å²	87.4	28%	0.283	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-65.9	132.9	-177.7	-136.8	76.4	0	0	0	109.3	I33 A37 T43 E44 Q47	I33-L39 HydrophobicContact CG2-CD1 3.76Å; A37-L39 PolarHBondContact O-N 3.29Å; L39-T43 HydrophobicContact CD1-CG2 4.35Å; L39-T43 HydrophobicContact CD2-CG2 3.72Å; L39-T43 HydrophobicContact CG-CG2 3.75Å; L39-E44 HydrophobicContact CB-CG 3.88Å; L39-E44 HydrophobicContact CD2-CG 4.05Å; L39-Q47 VanDerWaalsContact CD2-OE1 3.27Å
40	H	70.9	Confident	64.6	Low	49 Å²	49	85.7 Å²	85.7	23%	0.227	51%	0.511	C	S	.	.	P	Polyproline II helix	trans	-58.3	141.8	175.2	180	-93.1	0	0	0	110.3	D22 G38 A42 T43 E44	D22-H40 IonicContact OD1-CD2 3.45Å; D22-H40 IonicContact OD1-NE2 3.7Å; D22-H40 PolarHBondContact OD1-NE2 3.25Å; G38-H40 PolarHBondContact O-N 3.02Å; H40-A42 VanDerWaalsContact ND1-CB 3.31Å; H40-A42 WeakPolarHBondContact ND1-CB 3.43Å; H40-A42 PolarHBondContact ND1-N 2.91Å; H40-A42 VanDerWaalsContact ND1-N 3.16Å; H40-A42 PolarHBondContact O-N 2.97Å; H40-A42 VanDerWaalsContact O-N 3.13Å; H40-T43 WeakPolarHBondContact O-CA 3.37Å; H40-T43 VanDerWaalsContact O-CB 3.22Å; H40-T43 WeakPolarHBondContact O-CB 3.49Å; H40-T43 PolarHBondContact O-N 3.31Å; H40-T43 PolarHBondContact O-OG1 3.25Å; H40-E44 PolarHBondContact O-N 3.03Å
41	P	73.2	Confident	64.3	Low	90 Å²	90	85.9 Å²	85.9	58%	0.584	50%	0.501	S	S	*	.	H	α-helix	trans	-54.8	-35.1	-176.7	-28.6	35.3	0	0	0	114.2	T43 E44 A45	P41-T43 VanDerWaalsContact C-N 3.29Å; P41-T43 PolarHBondContact O-N 2.96Å; P41-E44 PolarHBondContact O-N 3.04Å; P41-A45 WeakPolarHBondContact O-CB 3.42Å; P41-A45 PolarHBondContact O-N 3.43Å
42	A	68.3	Low	64	Low	27 Å²	27	87.1 Å²	87.1	22%	0.223	49%	0.49	C	S	.	.	H	α-helix	trans	-67.1	-31.6	174.1	0	0	0	0	0	112.2	P27 H40 A45 L46	P27-A42 HydrophobicContact CG-CB 3.87Å; H40-A42 VanDerWaalsContact ND1-CB 3.31Å; H40-A42 WeakPolarHBondContact ND1-CB 3.43Å; H40-A42 PolarHBondContact ND1-N 2.91Å; H40-A42 VanDerWaalsContact ND1-N 3.16Å; H40-A42 PolarHBondContact O-N 2.97Å; H40-A42 VanDerWaalsContact O-N 3.13Å; A42-A45 PolarHBondContact O-N 2.91Å; A42-L46 WeakPolarHBondContact O-CB 3.43Å; A42-L46 VanDerWaalsContact O-CG 3.23Å; A42-L46 WeakPolarHBondContact O-CG 3.36Å; A42-L46 PolarHBondContact O-N 3.13Å
43	T	70.4	Confident	64.2	Low	19 Å²	19	82.2 Å²	82.2	12%	0.117	47%	0.468	C	S	.	.	H	α-helix	trans	-73.1	-37.9	175.6	-42.4	0	0	0	0	110.5	P27 I33 L39 H40 P41 L46 Q47	P27-T43 HydrophobicContact CB-CG2 4.21Å; P27-T43 WeakPolarHBondContact CB-OG1 3.46Å; P27-T43 WeakPolarHBondContact CG-OG1 3.44Å; I33-T43 HydrophobicContact CD1-CG2 4.39Å; L39-T43 HydrophobicContact CD1-CG2 4.35Å; L39-T43 HydrophobicContact CD2-CG2 3.72Å; L39-T43 HydrophobicContact CG-CG2 3.75Å; H40-T43 WeakPolarHBondContact O-CA 3.37Å; H40-T43 VanDerWaalsContact O-CB 3.22Å; H40-T43 WeakPolarHBondContact O-CB 3.49Å; H40-T43 PolarHBondContact O-N 3.31Å; H40-T43 PolarHBondContact O-OG1 3.25Å; P41-T43 VanDerWaalsContact C-N 3.29Å; P41-T43 PolarHBondContact O-N 2.96Å; T43-L46 PolarHBondContact O-N 3.34Å; T43-Q47 VanDerWaalsContact O-CB 3.24Å; T43-Q47 WeakPolarHBondContact O-CB 3.39Å; T43-Q47 PolarHBondContact O-N 3.32Å
44	E	71.5	Confident	65	Low	113 Å²	113	86 Å²	86	53%	0.528	48%	0.483	S	S	.	.	H	α-helix	trans	-63.3	-43	170.4	-64.8	-169.7	158.1	0	0	111.4	L39 H40 P41 Q47 A48	L39-E44 HydrophobicContact CB-CG 3.88Å; L39-E44 HydrophobicContact CD2-CG 4.05Å; H40-E44 PolarHBondContact O-N 3.03Å; P41-E44 PolarHBondContact O-N 3.04Å; E44-Q47 CarbonylContact O-C 3.55Å; E44-Q47 PolarHBondContact O-N 2.79Å; E44-A48 WeakPolarHBondContact O-CB 3.42Å; E44-A48 PolarHBondContact O-N 3.23Å
45	A	71.3	Confident	66.2	Low	50 Å²	50	84.5 Å²	84.5	41%	0.413	48%	0.475	S	S	.	.	H	α-helix	trans	-63.7	-43.8	176.1	0	0	0	0	0	111.8	P41 A42 Q47 A48 L49	P41-A45 WeakPolarHBondContact O-CB 3.42Å; P41-A45 PolarHBondContact O-N 3.43Å; A42-A45 PolarHBondContact O-N 2.91Å; A45-Q47 VanDerWaalsContact C-N 3.32Å; A45-Q47 PolarHBondContact O-N 3.43Å; A45-A48 PolarHBondContact O-N 3.29Å; A45-L49 WeakPolarHBondContact O-CB 3.48Å; A45-L49 WeakPolarHBondContact O-CD1 3.32Å; A45-L49 VanDerWaalsContact O-CG 3.26Å; A45-L49 WeakPolarHBondContact O-CG 3.27Å; A45-L49 PolarHBondContact O-N 3.31Å
46	L	70.2	Confident	67.7	Low	93 Å²	93	81.2 Å²	81.2	49%	0.487	45%	0.454	S	S	.	.	H	α-helix	trans	-64.5	-37	173.7	-74.1	170.1	0	0	0	112.1	P27 A42 T43 L49 K50	P27-L46 HydrophobicContact CB-CD1 3.78Å; P27-L46 HydrophobicContact CG-CD1 3.6Å; A42-L46 WeakPolarHBondContact O-CB 3.43Å; A42-L46 VanDerWaalsContact O-CG 3.23Å; A42-L46 WeakPolarHBondContact O-CG 3.36Å; A42-L46 PolarHBondContact O-N 3.13Å; T43-L46 PolarHBondContact O-N 3.34Å; L46-L49 HydrophobicContact CD2-CD1 4.34Å; L46-K50 WeakPolarHBondContact O-CB 3.49Å; L46-K50 PolarHBondContact O-N 2.85Å
47	Q	66.3	Low	69.3	Low	100 Å²	100	73.4 Å²	73.4	47%	0.467	42%	0.421	S	S	.	.	H	α-helix	trans	-67.4	-40.1	174.8	-170.6	172.1	-15.5	0	0	110.9	L39 T43 E44 A45 K50 Y51	L39-Q47 VanDerWaalsContact CD2-OE1 3.27Å; T43-Q47 VanDerWaalsContact O-CB 3.24Å; T43-Q47 WeakPolarHBondContact O-CB 3.39Å; T43-Q47 PolarHBondContact O-N 3.32Å; E44-Q47 CarbonylContact O-C 3.55Å; E44-Q47 PolarHBondContact O-N 2.79Å; A45-Q47 VanDerWaalsContact C-N 3.32Å; A45-Q47 PolarHBondContact O-N 3.43Å; Q47-K50 PolarHBondContact O-N 3Å; Q47-Y51 HydrophobicContact CG-CD2 4Å; Q47-Y51 HydrophobicContact CG-CE2 3.85Å; Q47-Y51 WeakPolarHBondContact O-CD2 3.03Å; Q47-Y51 PolarHBondContact O-N 2.9Å
48	A	67.8	Low	70.9	Confident	54 Å²	54	72.2 Å²	72.2	45%	0.446	41%	0.412	S	S	.	.	H	α-helix	trans	-62.6	-49.9	172.8	0	0	0	0	0	111	E44 A45 K50 Y51 E52	E44-A48 WeakPolarHBondContact O-CB 3.42Å; E44-A48 PolarHBondContact O-N 3.23Å; A45-A48 PolarHBondContact O-N 3.29Å; A48-K50 VanDerWaalsContact C-N 3.26Å; A48-K50 PolarHBondContact O-N 2.74Å; A48-Y51 CarbonylContact O-C 3.58Å; A48-Y51 PolarHBondContact O-N 2.83Å; A48-E52 WeakPolarHBondContact O-CA 3.49Å; A48-E52 WeakPolarHBondContact O-CB 3Å; A48-E52 WeakPolarHBondContact O-CG 3.46Å; A48-E52 PolarHBondContact O-N 3.31Å
49	L	68.7	Low	72.6	Confident	97 Å²	97	69.9 Å²	69.9	51%	0.508	38%	0.381	S	S	.	.	H	α-helix	trans	-55.6	-37.5	175.3	-76.6	162.1	0	0	0	112.9	A45 L46 Y51 E52	A45-L49 WeakPolarHBondContact O-CB 3.48Å; A45-L49 WeakPolarHBondContact O-CD1 3.32Å; A45-L49 VanDerWaalsContact O-CG 3.26Å; A45-L49 WeakPolarHBondContact O-CG 3.27Å; A45-L49 PolarHBondContact O-N 3.31Å; L46-L49 HydrophobicContact CD2-CD1 4.34Å; L49-Y51 VanDerWaalsContact C-N 3.32Å; L49-Y51 PolarHBondContact O-N 3.09Å; L49-E52 WeakPolarHBondContact CA-OE1 3.45Å; L49-E52 WeakPolarHBondContact CD2-OE1 3.13Å; L49-E52 WeakPolarHBondContact CD2-OE2 3.44Å; L49-E52 WeakPolarHBondContact CG-OE1 3.35Å
50	K	64.1	Low	74.2	Confident	103 Å²	103	67.3 Å²	67.3	45%	0.448	37%	0.367	S	S	.	.	H	α-helix	trans	-68.6	-30.3	177.9	-176.6	178.3	173.4	-172.8	0	112.9	L46 Q47 A48 E66	L46-K50 WeakPolarHBondContact O-CB 3.49Å; L46-K50 PolarHBondContact O-N 2.85Å; Q47-K50 PolarHBondContact O-N 3Å; A48-K50 VanDerWaalsContact C-N 3.26Å; A48-K50 PolarHBondContact O-N 2.74Å; K50-E66 IonicContact NZ-OE1 3.44Å; K50-E66 PolarHBondContact NZ-OE1 3.42Å
51	Y	58.8	Low	75.3	Confident	39 Å²	39	70.5 Å²	70.5	15%	0.153	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	21.7	-176.8	-56.6	-63.3	0	0	0	112.6	Q47 A48 L49 S53 N59 Y63	Q47-Y51 HydrophobicContact CG-CD2 4Å; Q47-Y51 HydrophobicContact CG-CE2 3.85Å; Q47-Y51 WeakPolarHBondContact O-CD2 3.03Å; Q47-Y51 PolarHBondContact O-N 2.9Å; A48-Y51 CarbonylContact O-C 3.58Å; A48-Y51 PolarHBondContact O-N 2.83Å; L49-Y51 VanDerWaalsContact C-N 3.32Å; L49-Y51 PolarHBondContact O-N 3.09Å; Y51-S53 PolarHBondContact O-N 2.8Å; Y51-S53 VanDerWaalsContact O-N 3.12Å; Y51-N59 PolarHBondContact O-ND2 2.91Å; Y51-N59 VanDerWaalsContact O-ND2 3.16Å; Y51-N59 PolarHBondContact O-OD1 3.5Å; Y51-Y63 HydrophobicContact CD1-CD2 4.13Å; Y51-Y63 HydrophobicContact CD1-CE1 4.24Å; Y51-Y63 AromaticContact CD1-CE2 3.5Å; Y51-Y63 HydrophobicContact CD1-CE2 3.5Å; Y51-Y63 VanDerWaalsContact CD1-CE2 3.5Å; Y51-Y63 AromaticContact CD1-CZ 3.55Å; Y51-Y63 VanDerWaalsContact CD2-OH 3.31Å; Y51-Y63 WeakPolarHBondContact CD2-OH 3.21Å; Y51-Y63 AromaticContact CE1-CD1 3.8Å; Y51-Y63 HydrophobicContact CE1-CD1 3.8Å; Y51-Y63 AromaticContact CE1-CD2 3.88Å; Y51-Y63 HydrophobicContact CE1-CD2 3.88Å; Y51-Y63 AromaticContact CE1-CE1 3.34Å; Y51-Y63 HydrophobicContact CE1-CE1 3.34Å; Y51-Y63 AromaticContact CE1-CE2 3.42Å; Y51-Y63 HydrophobicContact CE1-CE2 3.42Å; Y51-Y63 VanDerWaalsContact CE1-CE2 3.42Å; Y51-Y63 HydrophobicContact CE1-CG 4.05Å; Y51-Y63 AromaticContact CE1-CZ 3.12Å; Y51-Y63 WeakPolarHBondContact CE1-OH 3.47Å; Y51-Y63 AromaticContact CE2-CE1 3.96Å; Y51-Y63 HydrophobicContact CE2-CE1 3.96Å; Y51-Y63 AromaticContact CE2-CZ 3.64Å; Y51-Y63 WeakPolarHBondContact CE2-OH 3.15Å; Y51-Y63 HydrophobicContact CG-CE2 4.14Å; Y51-Y63 AromaticContact CZ-CD1 3.97Å; Y51-Y63 AromaticContact CZ-CE1 3.18Å; Y51-Y63 AromaticContact CZ-CE2 4Å; Y51-Y63 AromaticContact CZ-CZ 3.18Å; Y51-Y63 WeakPolarHBondContact OH-CE1 3.24Å
52	E	54.6	Low	76.3	Confident	125 Å²	125	68.5 Å²	68.5	58%	0.584	37%	0.366	S	S	*	.			trans	-73.6	2.9	-172	-116.9	173.9	-141.1	0	0	114.8	A48 L49 E54	A48-E52 WeakPolarHBondContact O-CA 3.49Å; A48-E52 WeakPolarHBondContact O-CB 3Å; A48-E52 WeakPolarHBondContact O-CG 3.46Å; A48-E52 PolarHBondContact O-N 3.31Å; L49-E52 WeakPolarHBondContact CA-OE1 3.45Å; L49-E52 WeakPolarHBondContact CD2-OE1 3.13Å; L49-E52 WeakPolarHBondContact CD2-OE2 3.44Å; L49-E52 WeakPolarHBondContact CG-OE1 3.35Å; E52-E54 PolarHBondContact O-N 3.16Å; E52-E54 VanDerWaalsContact O-N 3.16Å
53	S	65.9	Low	77.6	Confident	52 Å²	52	69 Å²	69	36%	0.364	36%	0.362	S	S	.	.			trans	-67.6	121.5	170.6	-165.7	0	0	0	0	108.4	Y51 D55 A58 N59	Y51-S53 PolarHBondContact O-N 2.8Å; Y51-S53 VanDerWaalsContact O-N 3.12Å; S53-D55 PolarHBondContact O-N 2.83Å; S53-D55 WeakPolarHBondContact OG-CB 3.27Å; S53-D55 PolarHBondContact OG-N 2.85Å; S53-A58 WeakPolarHBondContact OG-CB 3.46Å; S53-N59 PolarHBondContact O-ND2 3.27Å
54	E	75.3	Confident	78.8	Confident	198 Å²	198	70.2 Å²	70.2	93%	0.925	37%	0.366	S	S	*	.	S	Bend	trans	-58.7	-14.7	167.6	-66.6	-173.7	169.6	0	0	111.9	E52 P56	E52-E54 PolarHBondContact O-N 3.16Å; E52-E54 VanDerWaalsContact O-N 3.16Å; E54-P56 VanDerWaalsContact O-CD 3.24Å; E54-P56 WeakPolarHBondContact O-CD 3.47Å
55	D	86.1	Confident	80	Confident	61 Å²	61	69.5 Å²	69.5	33%	0.326	36%	0.362	S	S	.	.			trans	-83.6	110.1	175.9	177.5	17.6	0	0	0	112	S53 D57 A58 N59 R61	S53-D55 PolarHBondContact O-N 2.83Å; S53-D55 WeakPolarHBondContact OG-CB 3.27Å; S53-D55 PolarHBondContact OG-N 2.85Å; D55-D57 PolarHBondContact O-N 3.03Å; D55-D57 VanDerWaalsContact O-N 3.17Å; D55-D57 WeakPolarHBondContact OD1-CB 3.42Å; D55-D57 PolarHBondContact OD1-N 2.84Å; D55-A58 HydrophobicContact CB-CB 3.94Å; D55-A58 PolarHBondContact O-N 3.16Å; D55-A58 WeakPolarHBondContact OD2-CB 3.38Å; D55-A58 PolarHBondContact OD2-N 3.01Å; D55-A58 VanDerWaalsContact OD2-N 3.12Å; D55-N59 PolarHBondContact O-N 3.48Å; D55-R61 IonicContact OD2-NH2 3.54Å; D55-R61 PolarHBondContact OD2-NH2 3.38Å
56	P	88.6	Confident	81.2	Confident	56 Å²	56	68.9 Å²	68.9	36%	0.364	35%	0.351	S	S	.	.	H	α-helix	trans	-53.9	-32.8	173.2	-28.2	39.7	0	0	0	114	E54 A60 A89	E54-P56 VanDerWaalsContact O-CD 3.24Å; E54-P56 WeakPolarHBondContact O-CD 3.47Å; P56-A60 WeakPolarHBondContact O-CB 3.28Å; P56-A60 PolarHBondContact O-N 3.3Å; P56-A89 WeakPolarHBondContact CB-O 3.49Å
57	D	91.1	Very high	82.5	Confident	31 Å²	31	64.5 Å²	64.5	17%	0.166	33%	0.328	C	S	.	.	H	α-helix	trans	-75.7	-36.7	-176.8	-62.7	-18.7	0	0	0	111.1	D55 R61 S91 S92	D55-D57 PolarHBondContact O-N 3.03Å; D55-D57 VanDerWaalsContact O-N 3.17Å; D55-D57 WeakPolarHBondContact OD1-CB 3.42Å; D55-D57 PolarHBondContact OD1-N 2.84Å; D57-R61 WeakPolarHBondContact O-CG 3.34Å; D57-R61 PolarHBondContact O-N 2.76Å; D57-R61 VanDerWaalsContact O-N 3.08Å; D57-R61 PolarHBondContact O-NE 2.81Å; D57-S91 WeakPolarHBondContact OD1-CA 3.44Å; D57-S91 WeakPolarHBondContact OD1-CB 3.41Å; D57-S91 PolarHBondContact OD1-OG 3.25Å; D57-S92 PolarHBondContact OD1-N 2.81Å; D57-S92 PolarHBondContact OD2-OG 3.37Å
58	A	90.7	Very high	84	Confident	30 Å²	30	61.4 Å²	61.4	25%	0.248	32%	0.315	C	S	.	.	H	α-helix	trans	-62.7	-44.6	171.1	0	0	0	0	0	111.4	S53 D55 R61 S62	S53-A58 WeakPolarHBondContact OG-CB 3.46Å; D55-A58 HydrophobicContact CB-CB 3.94Å; D55-A58 PolarHBondContact O-N 3.16Å; D55-A58 WeakPolarHBondContact OD2-CB 3.38Å; D55-A58 PolarHBondContact OD2-N 3.01Å; D55-A58 VanDerWaalsContact OD2-N 3.12Å; A58-R61 PolarHBondContact O-N 3.09Å; A58-S62 PolarHBondContact O-N 2.9Å
59	N	90.6	Very high	85.5	Confident	26 Å²	26	64.8 Å²	64.8	14%	0.139	32%	0.317	C	S	.	.	H	α-helix	trans	-61.3	-47.3	177.2	-71.5	-23.9	0	0	0	111.8	Y51 S53 D55 R61 S62 Y63 A89	Y51-N59 PolarHBondContact O-ND2 2.91Å; Y51-N59 VanDerWaalsContact O-ND2 3.16Å; Y51-N59 PolarHBondContact O-OD1 3.5Å; S53-N59 PolarHBondContact O-ND2 3.27Å; D55-N59 PolarHBondContact O-N 3.48Å; N59-R61 VanDerWaalsContact C-N 3.3Å; N59-R61 PolarHBondContact O-N 3.09Å; N59-S62 WeakPolarHBondContact O-CB 3.47Å; N59-S62 PolarHBondContact O-N 3.47Å; N59-Y63 VanDerWaalsContact O-CD2 3.22Å; N59-Y63 WeakPolarHBondContact O-CD2 3.12Å; N59-Y63 PolarHBondContact O-N 3.13Å; N59-A89 HydrophobicContact CB-CB 4.02Å
60	A	93.4	Very high	86.9	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-59.5	-38.6	176.2	0	0	0	0	0	112.9	P56 K64 A89 L96 L100	P56-A60 WeakPolarHBondContact O-CB 3.28Å; P56-A60 PolarHBondContact O-N 3.3Å; A60-K64 WeakPolarHBondContact O-CB 3.5Å; A60-K64 PolarHBondContact O-N 3.48Å; A60-A89 HydrophobicContact CB-CB 4.11Å; A60-L96 HydrophobicContact CB-CD2 3.61Å; A60-L96 HydrophobicContact CB-CG 4.4Å; A60-L100 HydrophobicContact CB-CD1 4.32Å
61	R	94.6	Very high	88.5	Confident	117 Å²	117	61.4 Å²	61.4	44%	0.442	30%	0.296	S	S	.	.	H	α-helix	trans	-65.7	-41.9	174.8	-76.1	176.5	-76.6	-151.8	1.8	112.2	D55 D57 A58 N59 K64 E65 L96	D55-R61 IonicContact OD2-NH2 3.54Å; D55-R61 PolarHBondContact OD2-NH2 3.38Å; D57-R61 WeakPolarHBondContact O-CG 3.34Å; D57-R61 PolarHBondContact O-N 2.76Å; D57-R61 VanDerWaalsContact O-N 3.08Å; D57-R61 PolarHBondContact O-NE 2.81Å; A58-R61 PolarHBondContact O-N 3.09Å; N59-R61 VanDerWaalsContact C-N 3.3Å; N59-R61 PolarHBondContact O-N 3.09Å; R61-K64 WeakPolarHBondContact O-CB 3.26Å; R61-K64 PolarHBondContact O-N 3.02Å; R61-E65 PolarHBondContact O-N 3.44Å; R61-L96 HydrophobicContact CG-CD1 4.23Å; R61-L96 HydrophobicContact CG-CD2 3.74Å
62	S	93.3	Very high	90.3	Very high	48 Å²	48	67.8 Å²	67.8	34%	0.336	32%	0.324	S	S	.	.	H	α-helix	trans	-59.1	-50.1	175.9	-176	0	0	0	0	111.4	A58 N59 K64 E65 E66	A58-S62 PolarHBondContact O-N 2.9Å; N59-S62 WeakPolarHBondContact O-CB 3.47Å; N59-S62 PolarHBondContact O-N 3.47Å; S62-K64 VanDerWaalsContact C-N 3.31Å; S62-K64 PolarHBondContact O-N 2.81Å; S62-E65 PolarHBondContact O-N 3.07Å; S62-E65 VanDerWaalsContact O-N 3.15Å; S62-E66 PolarHBondContact O-N 2.7Å
63	Y	95.9	Very high	92.4	Very high	38 Å²	38	68.5 Å²	68.5	15%	0.149	32%	0.321	C	S	.	.	H	α-helix	trans	-60.5	-37	174.9	-82	-64.9	0	0	0	113.7	Y51 N59 E66 G67 S82 G86	Y51-Y63 HydrophobicContact CD1-CD2 4.13Å; Y51-Y63 HydrophobicContact CD1-CE1 4.24Å; Y51-Y63 AromaticContact CD1-CE2 3.5Å; Y51-Y63 HydrophobicContact CD1-CE2 3.5Å; Y51-Y63 VanDerWaalsContact CD1-CE2 3.5Å; Y51-Y63 AromaticContact CD1-CZ 3.55Å; Y51-Y63 VanDerWaalsContact CD2-OH 3.31Å; Y51-Y63 WeakPolarHBondContact CD2-OH 3.21Å; Y51-Y63 AromaticContact CE1-CD1 3.8Å; Y51-Y63 HydrophobicContact CE1-CD1 3.8Å; Y51-Y63 AromaticContact CE1-CD2 3.88Å; Y51-Y63 HydrophobicContact CE1-CD2 3.88Å; Y51-Y63 AromaticContact CE1-CE1 3.34Å; Y51-Y63 HydrophobicContact CE1-CE1 3.34Å; Y51-Y63 AromaticContact CE1-CE2 3.42Å; Y51-Y63 HydrophobicContact CE1-CE2 3.42Å; Y51-Y63 VanDerWaalsContact CE1-CE2 3.42Å; Y51-Y63 HydrophobicContact CE1-CG 4.05Å; Y51-Y63 AromaticContact CE1-CZ 3.12Å; Y51-Y63 WeakPolarHBondContact CE1-OH 3.47Å; Y51-Y63 AromaticContact CE2-CE1 3.96Å; Y51-Y63 HydrophobicContact CE2-CE1 3.96Å; Y51-Y63 AromaticContact CE2-CZ 3.64Å; Y51-Y63 WeakPolarHBondContact CE2-OH 3.15Å; Y51-Y63 HydrophobicContact CG-CE2 4.14Å; Y51-Y63 AromaticContact CZ-CD1 3.97Å; Y51-Y63 AromaticContact CZ-CE1 3.18Å; Y51-Y63 AromaticContact CZ-CE2 4Å; Y51-Y63 AromaticContact CZ-CZ 3.18Å; Y51-Y63 WeakPolarHBondContact OH-CE1 3.24Å; N59-Y63 VanDerWaalsContact O-CD2 3.22Å; N59-Y63 WeakPolarHBondContact O-CD2 3.12Å; N59-Y63 PolarHBondContact O-N 3.13Å; Y63-E66 PolarHBondContact O-N 3.44Å; Y63-G67 PolarHBondContact O-N 3.28Å; Y63-S82 WeakPolarHBondContact CB-O 3.43Å; Y63-G86 VanDerWaalsContact CB-CA 3.4Å
64	K	96.3	Very high	93.8	Very high	43 Å²	43	73.8 Å²	73.8	19%	0.187	34%	0.338	C	S	.	.	H	α-helix	trans	-61.7	-44.2	175.1	-173.5	-154.5	66.6	173.2	0	110.9	A60 R61 S62 G67 N68 L96 I99 L100	A60-K64 WeakPolarHBondContact O-CB 3.5Å; A60-K64 PolarHBondContact O-N 3.48Å; R61-K64 WeakPolarHBondContact O-CB 3.26Å; R61-K64 PolarHBondContact O-N 3.02Å; S62-K64 VanDerWaalsContact C-N 3.31Å; S62-K64 PolarHBondContact O-N 2.81Å; K64-G67 PolarHBondContact O-N 3.16Å; K64-N68 WeakPolarHBondContact O-CB 3.46Å; K64-N68 PolarHBondContact O-N 3.18Å; K64-N68 PolarHBondContact O-ND2 2.82Å; K64-N68 PolarHBondContact O-OD1 3.3Å; K64-L96 HydrophobicContact CD-CD1 3.83Å; K64-I99 HydrophobicContact CD-CG2 4.2Å; K64-L100 HydrophobicContact CB-CD2 3.73Å; K64-L100 HydrophobicContact CG-CD2 4.02Å
65	E	97.3	Very high	94.9	Very high	98 Å²	98	66.7 Å²	66.7	46%	0.458	31%	0.305	S	S	.	.	H	α-helix	trans	-69.8	-36.4	178.3	-63	-50.1	150.1	0	0	112.8	R61 S62 N68 Y69	R61-E65 PolarHBondContact O-N 3.44Å; S62-E65 PolarHBondContact O-N 3.07Å; S62-E65 VanDerWaalsContact O-N 3.15Å; E65-N68 WeakPolarHBondContact O-CB 3.42Å; E65-N68 PolarHBondContact O-N 3.47Å; E65-N68 PolarHBondContact OE2-ND2 3.45Å; E65-N68 VanDerWaalsContact OE2-ND2 3.13Å; E65-Y69 PolarHBondContact O-N 2.69Å
66	E	96.4	Very high	95.4	Very high	38 Å²	38	65.6 Å²	65.6	18%	0.178	30%	0.297	C	S	.	.	H	α-helix	trans	-61.9	-45.2	171.2	-173.1	-172.4	-129.1	0	0	111.7	K50 S62 Y63 N68 Y69 Y70 S82	K50-E66 IonicContact NZ-OE1 3.44Å; K50-E66 PolarHBondContact NZ-OE1 3.42Å; S62-E66 PolarHBondContact O-N 2.7Å; Y63-E66 PolarHBondContact O-N 3.44Å; E66-N68 VanDerWaalsContact C-N 3.3Å; E66-N68 PolarHBondContact O-N 3.43Å; E66-Y69 WeakPolarHBondContact O-CB 3.19Å; E66-Y69 PolarHBondContact O-N 3.04Å; E66-Y69 VanDerWaalsContact O-N 3.14Å; E66-Y70 HydrophobicContact CG-CD2 4.08Å; E66-Y70 HydrophobicContact CG-CE2 3.65Å; E66-Y70 WeakPolarHBondContact O-CD2 3.44Å; E66-Y70 PolarHBondContact O-N 2.99Å; E66-Y70 VanDerWaalsContact O-N 3.07Å; E66-S82 VanDerWaalsContact CD-OG 3.24Å; E66-S82 WeakPolarHBondContact CG-OG 3.35Å; E66-S82 WeakPolarHBondContact OE2-CB 3.42Å; E66-S82 PolarHBondContact OE2-OG 2.67Å
67	G	97.7	Very high	95.8	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-61.1	-40	174.6	0	0	0	0	0	112.2	Y63 K64 Y69 Y70 Y71 Y83	Y63-G67 PolarHBondContact O-N 3.28Å; K64-G67 PolarHBondContact O-N 3.16Å; G67-Y69 VanDerWaalsContact C-N 3.32Å; G67-Y69 PolarHBondContact O-N 3.35Å; G67-Y70 PolarHBondContact O-N 2.91Å; G67-Y71 VanDerWaalsContact O-CB 3.25Å; G67-Y71 WeakPolarHBondContact O-CB 3.41Å; G67-Y71 PolarHBondContact O-N 3.41Å; G67-Y83 VanDerWaalsContact C-CZ 3.41Å; G67-Y83 PolarHBondContact O-OH 2.55Å
68	N	97.8	Very high	96.1	Very high	36 Å²	36	72.9 Å²	72.9	19%	0.193	32%	0.322	C	S	.	.	H	α-helix	trans	-63.3	-37.9	174.5	-71.2	-20.8	0	0	0	111.8	K64 E65 E66 Y71 K72 Y83 N103	K64-N68 WeakPolarHBondContact O-CB 3.46Å; K64-N68 PolarHBondContact O-N 3.18Å; K64-N68 PolarHBondContact O-ND2 2.82Å; K64-N68 PolarHBondContact O-OD1 3.3Å; E65-N68 WeakPolarHBondContact O-CB 3.42Å; E65-N68 PolarHBondContact O-N 3.47Å; E65-N68 PolarHBondContact OE2-ND2 3.45Å; E65-N68 VanDerWaalsContact OE2-ND2 3.13Å; E66-N68 VanDerWaalsContact C-N 3.3Å; E66-N68 PolarHBondContact O-N 3.43Å; N68-Y71 PolarHBondContact O-N 3.4Å; N68-K72 WeakPolarHBondContact O-CG 3.38Å; N68-K72 PolarHBondContact O-N 3.47Å; N68-Y83 PolarHBondContact N-OH 2.87Å; N68-Y83 PolarHBondContact OD1-OH 3Å; N68-Y83 VanDerWaalsContact OD1-OH 3.09Å; N68-N103 PolarHBondContact OD1-ND2 2.87Å
69	Y	97.9	Very high	96.5	Very high	125 Å²	125	71.5 Å²	71.5	49%	0.49	31%	0.31	S	S	.	.	H	α-helix	trans	-60.9	-50.7	175.4	173.5	-93.7	0	0	0	111.3	E65 E66 G67 Y71 K72 R73	E65-Y69 PolarHBondContact O-N 2.69Å; E66-Y69 WeakPolarHBondContact O-CB 3.19Å; E66-Y69 PolarHBondContact O-N 3.04Å; E66-Y69 VanDerWaalsContact O-N 3.14Å; G67-Y69 VanDerWaalsContact C-N 3.32Å; G67-Y69 PolarHBondContact O-N 3.35Å; Y69-Y71 PolarHBondContact O-N 3.43Å; Y69-K72 PolarHBondContact O-N 2.78Å; Y69-R73 PolarHBondContact O-N 3.43Å; Y69-R73 PolarHBondContact OH-NH1 2.86Å
70	Y	97.9	Very high	96.8	Very high	55 Å²	55	71.1 Å²	71.1	22%	0.216	31%	0.308	C	S	.	.	H	α-helix	trans	-65.5	-37.3	176.1	-69.6	-56.3	0	0	0	112.8	E66 G67 K72 R73 K74 E75 K78	E66-Y70 HydrophobicContact CG-CD2 4.08Å; E66-Y70 HydrophobicContact CG-CE2 3.65Å; E66-Y70 WeakPolarHBondContact O-CD2 3.44Å; E66-Y70 PolarHBondContact O-N 2.99Å; E66-Y70 VanDerWaalsContact O-N 3.07Å; G67-Y70 PolarHBondContact O-N 2.91Å; Y70-K72 PolarHBondContact O-N 2.93Å; Y70-R73 CarbonylContact O-C 3.54Å; Y70-R73 PolarHBondContact O-N 2.77Å; Y70-R73 VanDerWaalsContact O-N 3.14Å; Y70-K74 PolarHBondContact O-N 2.96Å; Y70-E75 HydrophobicContact CD1-CB 4.39Å; Y70-E75 PolarHBondContact O-N 2.97Å; Y70-K78 HydrophobicContact CD1-CB 3.81Å; Y70-K78 HydrophobicContact CD1-CD 3.88Å; Y70-K78 HydrophobicContact CD2-CB 3.85Å; Y70-K78 HydrophobicContact CE1-CB 4.17Å; Y70-K78 HydrophobicContact CE1-CD 3.66Å; Y70-K78 HydrophobicContact CE2-CB 4.18Å; Y70-K78 HydrophobicContact CG-CB 3.66Å
71	Y	97.4	Very high	97	Very high	74 Å²	74	76 Å²	76	29%	0.29	33%	0.333	S	S	.	.	H	α-helix	trans	-60.8	-44.8	177.2	176.8	-97.6	0	0	0	112.3	G67 N68 Y69 R73 K74 F76 V106 Y110	G67-Y71 VanDerWaalsContact O-CB 3.25Å; G67-Y71 WeakPolarHBondContact O-CB 3.41Å; G67-Y71 PolarHBondContact O-N 3.41Å; N68-Y71 PolarHBondContact O-N 3.4Å; Y69-Y71 PolarHBondContact O-N 3.43Å; Y71-R73 PolarHBondContact O-N 3.02Å; Y71-K74 WeakPolarHBondContact O-CA 3.38Å; Y71-K74 PolarHBondContact O-N 2.86Å; Y71-F76 HydrophobicContact CD2-CD1 4.1Å; Y71-F76 HydrophobicContact CD2-CE1 4.01Å; Y71-F76 HydrophobicContact CE2-CD1 4.33Å; Y71-F76 AromaticContact CE2-CE1 3.9Å; Y71-F76 HydrophobicContact CE2-CE1 3.9Å; Y71-V106 HydrophobicContact CE2-CG1 3.7Å; Y71-Y110 HydrophobicContact CE2-CD2 4.21Å; Y71-Y110 HydrophobicContact CE2-CE2 4Å; Y71-Y110 WeakPolarHBondContact OH-CE2 3.09Å
72	K	97.6	Very high	97.1	Very high	172 Å²	172	70.7 Å²	70.7	75%	0.748	32%	0.315	S	S	*	.	H	α-helix	trans	-59.6	-29.7	176.1	-74	173.8	-176.2	177.7	0	112.5	N68 Y69 Y70 K74	N68-K72 WeakPolarHBondContact O-CG 3.38Å; N68-K72 PolarHBondContact O-N 3.47Å; Y69-K72 PolarHBondContact O-N 2.78Å; Y70-K72 PolarHBondContact O-N 2.93Å; K72-K74 VanDerWaalsContact C-N 3.29Å
73	R	97.8	Very high	97.4	Very high	140 Å²	140	68.6 Å²	68.6	53%	0.528	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	2.9	175.5	-62.2	179.9	65.9	163	1.7	113.7	Y69 Y70 Y71 E75	Y69-R73 PolarHBondContact O-N 3.43Å; Y69-R73 PolarHBondContact OH-NH1 2.86Å; Y70-R73 CarbonylContact O-C 3.54Å; Y70-R73 PolarHBondContact O-N 2.77Å; Y70-R73 VanDerWaalsContact O-N 3.14Å; Y71-R73 PolarHBondContact O-N 3.02Å; R73-E75 HydrophobicContact CB-CG 4.11Å; R73-E75 IonicContact CZ-OE1 2.63Å; R73-E75 IonicContact NE-OE1 3.55Å; R73-E75 PolarHBondContact NE-OE1 3.29Å; R73-E75 VanDerWaalsContact NE-OE1 3.13Å; R73-E75 IonicContact NH2-OE1 3.18Å; R73-E75 PolarHBondContact O-N 2.85Å
74	K	96.8	Very high	97.5	Very high	164 Å²	164	68.1 Å²	68.1	71%	0.713	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	20.6	-174	-54.4	179.1	179.1	178	0	113.5	Y70 Y71 K72 F76	Y70-K74 PolarHBondContact O-N 2.96Å; Y71-K74 WeakPolarHBondContact O-CA 3.38Å; Y71-K74 PolarHBondContact O-N 2.86Å; K72-K74 VanDerWaalsContact C-N 3.29Å; K74-F76 HydrophobicContact CB-CE2 4.18Å; K74-F76 HydrophobicContact CB-CZ 4.02Å; K74-F76 HydrophobicContact CG-CZ 4.35Å; K74-F76 WeakPolarHBondContact O-CD2 3.45Å; K74-F76 PolarHBondContact O-N 2.9Å
75	E	97.5	Very high	97.4	Very high	49 Å²	49	66.6 Å²	66.6	23%	0.229	30%	0.297	C	S	.	.			trans	-85.2	65.4	175.7	-66.1	-179.1	-142.2	0	0	109.5	Y70 R73 F77 K78 A79	Y70-E75 HydrophobicContact CD1-CB 4.39Å; Y70-E75 PolarHBondContact O-N 2.97Å; R73-E75 HydrophobicContact CB-CG 4.11Å; R73-E75 IonicContact CZ-OE1 2.63Å; R73-E75 IonicContact NE-OE1 3.55Å; R73-E75 PolarHBondContact NE-OE1 3.29Å; R73-E75 VanDerWaalsContact NE-OE1 3.13Å; R73-E75 IonicContact NH2-OE1 3.18Å; R73-E75 PolarHBondContact O-N 2.85Å; E75-F77 VanDerWaalsContact C-N 3.29Å; E75-F77 PolarHBondContact O-N 3.39Å; E75-K78 HydrophobicContact CB-CB 4.43Å; E75-K78 PolarHBondContact O-N 2.59Å; E75-K78 VanDerWaalsContact OE2-CD 3.23Å; E75-K78 WeakPolarHBondContact OE2-CD 3.32Å; E75-K78 VanDerWaalsContact OE2-CE 3.27Å; E75-K78 WeakPolarHBondContact OE2-CE 3.29Å; E75-K78 IonicContact OE2-NZ 2.8Å; E75-K78 PolarHBondContact OE2-NZ 3.2Å; E75-A79 PolarHBondContact O-N 3.11Å
76	F	97.4	Very high	97.2	Very high	37 Å²	37	61.9 Å²	61.9	16%	0.162	28%	0.275	C	S	.	.	H	α-helix	trans	-59.9	-34.6	-168.8	-57.9	-60.2	0	0	0	114.1	Y71 K74 A79 I80 C107 Y110 L111	Y71-F76 HydrophobicContact CD2-CD1 4.1Å; Y71-F76 HydrophobicContact CD2-CE1 4.01Å; Y71-F76 HydrophobicContact CE2-CD1 4.33Å; Y71-F76 AromaticContact CE2-CE1 3.9Å; Y71-F76 HydrophobicContact CE2-CE1 3.9Å; K74-F76 HydrophobicContact CB-CE2 4.18Å; K74-F76 HydrophobicContact CB-CZ 4.02Å; K74-F76 HydrophobicContact CG-CZ 4.35Å; K74-F76 WeakPolarHBondContact O-CD2 3.45Å; K74-F76 PolarHBondContact O-N 2.9Å; F76-A79 PolarHBondContact O-N 3.19Å; F76-I80 WeakPolarHBondContact O-CD1 3.48Å; F76-I80 VanDerWaalsContact O-CG1 3.25Å; F76-I80 WeakPolarHBondContact O-CG1 3.25Å; F76-I80 PolarHBondContact O-N 3.29Å; F76-C107 HydrophobicContact CB-CB 4.21Å; F76-C107 HydrophobicContact CD1-CB 4.41Å; F76-Y110 HydrophobicContact CD1-CD2 4.21Å; F76-Y110 HydrophobicContact CD1-CG 4.47Å; F76-Y110 AromaticContact CE1-CD2 3.56Å; F76-Y110 HydrophobicContact CE1-CD2 3.56Å; F76-Y110 HydrophobicContact CE1-CE2 4.28Å; F76-Y110 AromaticContact CE1-CG 3.82Å; F76-Y110 HydrophobicContact CE1-CG 3.82Å; F76-Y110 HydrophobicContact CE2-CG 4.1Å; F76-Y110 HydrophobicContact CZ-CD1 4.16Å; F76-Y110 AromaticContact CZ-CD2 3.82Å; F76-Y110 HydrophobicContact CZ-CD2 3.82Å; F76-Y110 AromaticContact CZ-CG 3.61Å; F76-Y110 HydrophobicContact CZ-CG 3.61Å; F76-L111 HydrophobicContact CB-CD1 3.99Å; F76-L111 HydrophobicContact CB-CD2 4.04Å; F76-L111 HydrophobicContact CB-CG 3.85Å; F76-L111 HydrophobicContact CD2-CD2 4.24Å
77	F	97.4	Very high	97.2	Very high	142 Å²	142	61.3 Å²	61.3	62%	0.623	27%	0.273	S	S	*	.	H	α-helix	trans	-65.1	-46.1	178	-174.1	-97.9	0	0	0	111.8	E75 I80 L81	E75-F77 VanDerWaalsContact C-N 3.29Å; E75-F77 PolarHBondContact O-N 3.39Å; F77-I80 WeakPolarHBondContact O-CB 3.44Å; F77-I80 PolarHBondContact O-N 3.45Å; F77-L81 HydrophobicContact CD1-CD1 4.17Å; F77-L81 HydrophobicContact CE1-CD1 3.79Å; F77-L81 HydrophobicContact CE1-CG 4.31Å; F77-L81 PolarHBondContact O-N 2.88Å; F77-L81 VanDerWaalsContact O-N 3.16Å
78	K	96.9	Very high	97.1	Very high	99 Å²	99	70.7 Å²	70.7	43%	0.43	31%	0.308	S	S	.	.	H	α-helix	trans	-65.4	-40.2	176.1	-62.2	-169.2	-166.7	160.3	0	111.5	Y70 E75 I80 L81 S82	Y70-K78 HydrophobicContact CD1-CB 3.81Å; Y70-K78 HydrophobicContact CD1-CD 3.88Å; Y70-K78 HydrophobicContact CD2-CB 3.85Å; Y70-K78 HydrophobicContact CE1-CB 4.17Å; Y70-K78 HydrophobicContact CE1-CD 3.66Å; Y70-K78 HydrophobicContact CE2-CB 4.18Å; Y70-K78 HydrophobicContact CG-CB 3.66Å; E75-K78 HydrophobicContact CB-CB 4.43Å; E75-K78 PolarHBondContact O-N 2.59Å; E75-K78 VanDerWaalsContact OE2-CD 3.23Å; E75-K78 WeakPolarHBondContact OE2-CD 3.32Å; E75-K78 VanDerWaalsContact OE2-CE 3.27Å; E75-K78 WeakPolarHBondContact OE2-CE 3.29Å; E75-K78 IonicContact OE2-NZ 2.8Å; E75-K78 PolarHBondContact OE2-NZ 3.2Å; K78-I80 VanDerWaalsContact C-N 3.3Å; K78-I80 PolarHBondContact O-N 2.79Å; K78-L81 WeakPolarHBondContact O-CB 3.32Å; K78-L81 PolarHBondContact O-N 3.11Å; K78-L81 VanDerWaalsContact O-N 3.11Å; K78-S82 PolarHBondContact O-N 2.58Å; K78-S82 PolarHBondContact O-OG 3.05Å
79	A	98.1	Very high	96.7	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-57.9	-42.4	174.1	0	0	0	0	0	112	E75 F76 L81 S82 Y83	E75-A79 PolarHBondContact O-N 3.11Å; F76-A79 PolarHBondContact O-N 3.19Å; A79-L81 VanDerWaalsContact C-N 3.33Å; A79-L81 PolarHBondContact O-N 3.1Å; A79-S82 PolarHBondContact O-N 2.8Å; A79-Y83 HydrophobicContact CB-CD2 4.41Å; A79-Y83 HydrophobicContact CB-CE2 3.92Å; A79-Y83 WeakPolarHBondContact O-CD2 3.03Å; A79-Y83 VanDerWaalsContact O-CG 3.3Å; A79-Y83 PolarHBondContact O-N 2.94Å
80	I	98.4	Very high	96.2	Very high	19 Å²	19	72.6 Å²	72.6	10%	0.097	32%	0.322	C	S	.	.	H	α-helix	trans	-60.3	-41.9	175.2	-73.4	163.3	0	0	0	111.6	F76 F77 K78 T84 R104 C107 L111	F76-I80 WeakPolarHBondContact O-CD1 3.48Å; F76-I80 VanDerWaalsContact O-CG1 3.25Å; F76-I80 WeakPolarHBondContact O-CG1 3.25Å; F76-I80 PolarHBondContact O-N 3.29Å; F77-I80 WeakPolarHBondContact O-CB 3.44Å; F77-I80 PolarHBondContact O-N 3.45Å; K78-I80 VanDerWaalsContact C-N 3.3Å; K78-I80 PolarHBondContact O-N 2.79Å; I80-T84 VanDerWaalsContact O-CB 3.24Å; I80-T84 WeakPolarHBondContact O-CB 3.48Å; I80-T84 PolarHBondContact O-N 2.84Å; I80-T84 PolarHBondContact O-OG1 3.18Å; I80-R104 HydrophobicContact CB-CG 4.41Å; I80-R104 HydrophobicContact CG1-CG 4.09Å; I80-R104 HydrophobicContact CG2-CG 4.14Å; I80-C107 HydrophobicContact CD1-CB 3.83Å; I80-C107 HydrophobicContact CG1-CB 3.49Å; I80-C107 VanDerWaalsContact CG1-CB 3.49Å; I80-L111 HydrophobicContact CD1-CD1 3.54Å
81	L	97	Very high	95.9	Very high	101 Å²	101	70.3 Å²	70.3	53%	0.529	31%	0.314	S	S	.	.	H	α-helix	trans	-62.9	-47.6	177.2	-66.2	177.3	0	0	0	111	F77 K78 A79 T84 G85	F77-L81 HydrophobicContact CD1-CD1 4.17Å; F77-L81 HydrophobicContact CE1-CD1 3.79Å; F77-L81 HydrophobicContact CE1-CG 4.31Å; F77-L81 PolarHBondContact O-N 2.88Å; F77-L81 VanDerWaalsContact O-N 3.16Å; K78-L81 WeakPolarHBondContact O-CB 3.32Å; K78-L81 PolarHBondContact O-N 3.11Å; K78-L81 VanDerWaalsContact O-N 3.11Å; A79-L81 VanDerWaalsContact C-N 3.33Å; A79-L81 PolarHBondContact O-N 3.1Å; L81-T84 WeakPolarHBondContact O-CB 3.32Å; L81-T84 PolarHBondContact O-N 3.16Å; L81-G85 PolarHBondContact O-N 3.23Å
82	S	97.2	Very high	95.6	Very high	7 Å²	7	71.5 Å²	71.5	5%	0.049	33%	0.333	C	S	.	.	H	α-helix	trans	-61.4	-47.6	177.1	-64.3	0	0	0	0	112.4	Y63 E66 K78 A79 T84 G85 G86	Y63-S82 WeakPolarHBondContact CB-O 3.43Å; E66-S82 VanDerWaalsContact CD-OG 3.24Å; E66-S82 WeakPolarHBondContact CG-OG 3.35Å; E66-S82 WeakPolarHBondContact OE2-CB 3.42Å; E66-S82 PolarHBondContact OE2-OG 2.67Å; K78-S82 PolarHBondContact O-N 2.58Å; K78-S82 PolarHBondContact O-OG 3.05Å; A79-S82 PolarHBondContact O-N 2.8Å; S82-T84 VanDerWaalsContact C-N 3.27Å; S82-T84 PolarHBondContact O-N 2.72Å; S82-G85 WeakPolarHBondContact O-CA 3.21Å; S82-G85 PolarHBondContact O-N 3.41Å; S82-G85 VanDerWaalsContact O-N 3.09Å; S82-G86 PolarHBondContact O-N 3.27Å
83	Y	98	Very high	95.5	Very high	3 Å²	3	66.4 Å²	66.4	1%	0.012	31%	0.314	C	S	.	.	H	α-helix	trans	-63.1	-34.6	176.3	-62.2	-46.2	0	0	0	112.6	G67 N68 A79 G86 L87 L100 N103 R104	G67-Y83 VanDerWaalsContact C-CZ 3.41Å; G67-Y83 PolarHBondContact O-OH 2.55Å; N68-Y83 PolarHBondContact N-OH 2.87Å; N68-Y83 PolarHBondContact OD1-OH 3Å; N68-Y83 VanDerWaalsContact OD1-OH 3.09Å; A79-Y83 HydrophobicContact CB-CD2 4.41Å; A79-Y83 HydrophobicContact CB-CE2 3.92Å; A79-Y83 WeakPolarHBondContact O-CD2 3.03Å; A79-Y83 VanDerWaalsContact O-CG 3.3Å; A79-Y83 PolarHBondContact O-N 2.94Å; Y83-G86 PolarHBondContact O-N 3.42Å; Y83-L87 WeakPolarHBondContact O-CG 3.45Å; Y83-L87 PolarHBondContact O-N 2.85Å; Y83-L100 HydrophobicContact CD1-CD2 3.8Å; Y83-N103 HydrophobicContact CD1-CB 4.17Å; Y83-N103 HydrophobicContact CD2-CB 4.1Å; Y83-N103 HydrophobicContact CE1-CB 3.76Å; Y83-N103 HydrophobicContact CE2-CB 3.71Å; Y83-N103 HydrophobicContact CG-CB 4.33Å; Y83-R104 HydrophobicContact CD2-CB 4.21Å; Y83-R104 HydrophobicContact CG-CB 4.49Å
84	T	97.6	Very high	95.3	Very high	28 Å²	28	66.5 Å²	66.5	17%	0.172	31%	0.314	C	S	.	.	H	α-helix	trans	-67.4	-37.6	174.3	-60.2	0	0	0	0	111.4	I80 L81 S82 G86 L87 R88 R104	I80-T84 VanDerWaalsContact O-CB 3.24Å; I80-T84 WeakPolarHBondContact O-CB 3.48Å; I80-T84 PolarHBondContact O-N 2.84Å; I80-T84 PolarHBondContact O-OG1 3.18Å; L81-T84 WeakPolarHBondContact O-CB 3.32Å; L81-T84 PolarHBondContact O-N 3.16Å; S82-T84 VanDerWaalsContact C-N 3.27Å; S82-T84 PolarHBondContact O-N 2.72Å; T84-G86 VanDerWaalsContact C-N 3.35Å; T84-L87 PolarHBondContact O-N 3.04Å; T84-R88 WeakPolarHBondContact O-CG 2.95Å; T84-R88 PolarHBondContact O-N 3.28Å; T84-R104 WeakPolarHBondContact OG1-CD 3.33Å; T84-R104 PolarHBondContact OG1-NH1 2.85Å; T84-R104 VanDerWaalsContact OG1-NH1 3.12Å
85	G	94.3	Very high	95.3	Very high	11 Å²	11	64.7 Å²	64.7	11%	0.113	31%	0.306	C	S	.	.	H	α-helix	trans	-57.8	-45.9	168.7	0	0	0	0	0	112	L81 S82 L87 R88 A89	L81-G85 PolarHBondContact O-N 3.23Å; S82-G85 WeakPolarHBondContact O-CA 3.21Å; S82-G85 PolarHBondContact O-N 3.41Å; S82-G85 VanDerWaalsContact O-N 3.09Å; G85-L87 VanDerWaalsContact C-N 3.35Å; G85-L87 PolarHBondContact O-N 3.48Å; G85-R88 CarbonylContact O-C 3.34Å; G85-R88 WeakPolarHBondContact O-CA 3.48Å; G85-R88 WeakPolarHBondContact O-CB 3.35Å; G85-R88 PolarHBondContact O-N 3Å; G85-A89 PolarHBondContact O-N 3.38Å
86	G	95.1	Very high	95.2	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-59.5	-41.4	176.1	0	0	0	0	0	113.5	Y63 S82 Y83 T84 R88 A89	Y63-G86 VanDerWaalsContact CB-CA 3.4Å; S82-G86 PolarHBondContact O-N 3.27Å; Y83-G86 PolarHBondContact O-N 3.42Å; T84-G86 VanDerWaalsContact C-N 3.35Å; G86-R88 VanDerWaalsContact C-N 3.3Å; G86-R88 PolarHBondContact O-N 3.21Å; G86-A89 WeakPolarHBondContact O-CB 3.41Å; G86-A89 PolarHBondContact O-N 2.9Å
87	L	95.4	Very high	95.2	Very high	26 Å²	26	62 Å²	62	14%	0.136	30%	0.295	C	S	.	.	H	α-helix	trans	-68.4	-28.9	174.8	-69.5	168.8	0	0	0	112.7	Y83 T84 G85 A89 N97 L100 Y101	Y83-L87 WeakPolarHBondContact O-CG 3.45Å; Y83-L87 PolarHBondContact O-N 2.85Å; T84-L87 PolarHBondContact O-N 3.04Å; G85-L87 VanDerWaalsContact C-N 3.35Å; G85-L87 PolarHBondContact O-N 3.48Å; L87-A89 VanDerWaalsContact C-N 3.34Å; L87-N97 HydrophobicContact CD2-CB 4.48Å; L87-L100 HydrophobicContact CD2-CB 3.8Å; L87-L100 HydrophobicContact CD2-CD1 4.29Å; L87-L100 HydrophobicContact CG-CB 4Å; L87-L100 HydrophobicContact CG-CD1 4.45Å; L87-Y101 HydrophobicContact CD1-CD1 3.76Å; L87-Y101 HydrophobicContact CD1-CE1 3.65Å; L87-Y101 HydrophobicContact CD1-CE2 4.43Å; L87-Y101 HydrophobicContact CD1-CG 4.21Å; L87-Y101 HydrophobicContact CD2-CD1 4.37Å; L87-Y101 HydrophobicContact CD2-CD2 3.67Å; L87-Y101 HydrophobicContact CD2-CE1 4.23Å; L87-Y101 HydrophobicContact CD2-CE2 3.48Å; L87-Y101 VanDerWaalsContact CD2-CE2 3.48Å; L87-Y101 HydrophobicContact CD2-CG 4.1Å
88	R	94.6	Very high	95.3	Very high	196 Å²	196	55.2 Å²	55.2	74%	0.74	27%	0.265	S	S	*	.	H	α-helix	trans	-77.1	-19.2	175.8	-74.6	174.7	178.9	-178.3	0	113.4	T84 G85 G86 K90	T84-R88 WeakPolarHBondContact O-CG 2.95Å; T84-R88 PolarHBondContact O-N 3.28Å; G85-R88 CarbonylContact O-C 3.34Å; G85-R88 WeakPolarHBondContact O-CA 3.48Å; G85-R88 WeakPolarHBondContact O-CB 3.35Å; G85-R88 PolarHBondContact O-N 3Å; G86-R88 VanDerWaalsContact C-N 3.3Å; G86-R88 PolarHBondContact O-N 3.21Å; R88-K90 PolarHBondContact O-N 2.94Å
89	A	90.9	Very high	95.3	Very high	24 Å²	24	53 Å²	53	20%	0.198	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-15.3	173.4	0	0	0	0	0	112.5	P56 N59 A60 G85 G86 L87 S91	P56-A89 WeakPolarHBondContact CB-O 3.49Å; N59-A89 HydrophobicContact CB-CB 4.02Å; A60-A89 HydrophobicContact CB-CB 4.11Å; G85-A89 PolarHBondContact O-N 3.38Å; G86-A89 WeakPolarHBondContact O-CB 3.41Å; G86-A89 PolarHBondContact O-N 2.9Å; L87-A89 VanDerWaalsContact C-N 3.34Å; A89-S91 VanDerWaalsContact C-N 3.34Å; A89-S91 PolarHBondContact O-N 3.25Å
90	K	87.2	Confident	95.3	Very high	178 Å²	178	53 Å²	53	77%	0.774	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	43.8	178.6	-60.6	178.2	-177.3	176.4	0	113	R88	R88-K90 PolarHBondContact O-N 2.94Å
91	S	90.6	Very high	95.3	Very high	7 Å²	7	54.9 Å²	54.9	5%	0.049	26%	0.264	C	S	.	.			trans	-54.3	139	171.8	172.1	0	0	0	0	111.4	D57 A89 D93 N97	D57-S91 WeakPolarHBondContact OD1-CA 3.44Å; D57-S91 WeakPolarHBondContact OD1-CB 3.41Å; D57-S91 PolarHBondContact OD1-OG 3.25Å; A89-S91 VanDerWaalsContact C-N 3.34Å; A89-S91 PolarHBondContact O-N 3.25Å; S91-D93 VanDerWaalsContact C-N 3.26Å; S91-D93 PolarHBondContact OG-N 3.27Å; S91-N97 PolarHBondContact O-ND2 3.36Å
92	S	91.9	Very high	95.4	Very high	98 Å²	98	50.2 Å²	50.2	69%	0.685	24%	0.24	S	C	*	.	S	Bend	trans	-76.7	-17.7	175.5	73.8	0	0	0	0	112.3	D57 R94	D57-S92 PolarHBondContact OD1-N 2.81Å; D57-S92 PolarHBondContact OD2-OG 3.37Å; S92-R94 PolarHBondContact O-N 3.11Å; S92-R94 VanDerWaalsContact O-N 3.08Å
93	D	94.5	Very high	95.4	Very high	66 Å²	66	51.3 Å²	51.3	35%	0.353	25%	0.245	S	C	.	.			trans	-73	99.8	178.6	-176.1	-10.5	0	0	0	111.3	S91 K95 L96 N97	S91-D93 VanDerWaalsContact C-N 3.26Å; S91-D93 PolarHBondContact OG-N 3.27Å; D93-K95 VanDerWaalsContact C-N 3.26Å; D93-K95 PolarHBondContact O-N 3.44Å; D93-K95 WeakPolarHBondContact OD1-CA 3.31Å; D93-K95 WeakPolarHBondContact OD1-CB 3.45Å; D93-K95 PolarHBondContact OD1-N 2.84Å; D93-L96 HydrophobicContact CB-CB 3.77Å; D93-L96 VanDerWaalsContact CG-CB 3.49Å; D93-L96 PolarHBondContact O-N 3.45Å; D93-L96 PolarHBondContact OD1-N 3.17Å; D93-L96 WeakPolarHBondContact OD2-CB 3.16Å; D93-N97 PolarHBondContact O-N 2.99Å; D93-N97 PolarHBondContact O-ND2 2.62Å
94	R	95.4	Very high	95.5	Very high	141 Å²	141	52.8 Å²	52.8	53%	0.532	25%	0.251	S	S	.	.	H	α-helix	trans	-57.6	-35.9	176	-69.3	-178.9	63.9	169.4	4.4	113	S92 N97 A98 S126 L127	S92-R94 PolarHBondContact O-N 3.11Å; S92-R94 VanDerWaalsContact O-N 3.08Å; R94-N97 PolarHBondContact O-N 3.15Å; R94-A98 WeakPolarHBondContact O-CB 3.27Å; R94-A98 PolarHBondContact O-N 2.89Å; R94-S126 PolarHBondContact NH2-O 2.71Å; R94-L127 HydrophobicContact CG-CD2 4.33Å; R94-L127 PolarHBondContact NE-O 3.35Å; R94-L127 PolarHBondContact NH2-O 3.33Å
95	K	95.9	Very high	95.5	Very high	126 Å²	126	51.4 Å²	51.4	55%	0.548	24%	0.242	S	C	.	.	H	α-helix	trans	-71.1	-43	-179.8	-68.5	-175.3	175	-175.9	0	110.3	D93 N97 A98 I99	D93-K95 VanDerWaalsContact C-N 3.26Å; D93-K95 PolarHBondContact O-N 3.44Å; D93-K95 WeakPolarHBondContact OD1-CA 3.31Å; D93-K95 WeakPolarHBondContact OD1-CB 3.45Å; D93-K95 PolarHBondContact OD1-N 2.84Å; K95-N97 VanDerWaalsContact C-N 3.34Å; K95-N97 PolarHBondContact O-N 3.39Å; K95-A98 PolarHBondContact O-N 2.82Å; K95-I99 VanDerWaalsContact O-CG1 3.31Å; K95-I99 WeakPolarHBondContact O-CG1 3.5Å; K95-I99 PolarHBondContact O-N 3.28Å
96	L	96.5	Very high	95.7	Very high	8 Å²	8	52 Å²	52	4%	0.042	24%	0.243	C	C	.	.	H	α-helix	trans	-59.2	-45.3	173.2	179.2	59.5	0	0	0	111.5	A60 R61 K64 D93 A98 I99 L100	A60-L96 HydrophobicContact CB-CD2 3.61Å; A60-L96 HydrophobicContact CB-CG 4.4Å; R61-L96 HydrophobicContact CG-CD1 4.23Å; R61-L96 HydrophobicContact CG-CD2 3.74Å; K64-L96 HydrophobicContact CD-CD1 3.83Å; D93-L96 HydrophobicContact CB-CB 3.77Å; D93-L96 VanDerWaalsContact CG-CB 3.49Å; D93-L96 PolarHBondContact O-N 3.45Å; D93-L96 PolarHBondContact OD1-N 3.17Å; D93-L96 WeakPolarHBondContact OD2-CB 3.16Å; L96-A98 PolarHBondContact O-N 2.91Å; L96-I99 WeakPolarHBondContact O-CB 3.49Å; L96-I99 PolarHBondContact O-N 2.79Å; L96-L100 HydrophobicContact CG-CD1 4.33Å; L96-L100 WeakPolarHBondContact O-CG 3.5Å; L96-L100 PolarHBondContact O-N 2.85Å
97	N	97.4	Very high	95.9	Very high	21 Å²	21	52 Å²	52	11%	0.112	24%	0.243	C	C	.	.	H	α-helix	trans	-62	-41.9	176.5	-71.8	-36.1	0	0	0	112	L87 S91 D93 R94 K95 I99 L100 Y101 L127	L87-N97 HydrophobicContact CD2-CB 4.48Å; S91-N97 PolarHBondContact O-ND2 3.36Å; D93-N97 PolarHBondContact O-N 2.99Å; D93-N97 PolarHBondContact O-ND2 2.62Å; R94-N97 PolarHBondContact O-N 3.15Å; K95-N97 VanDerWaalsContact C-N 3.34Å; K95-N97 PolarHBondContact O-N 3.39Å; N97-I99 VanDerWaalsContact C-N 3.32Å; N97-I99 PolarHBondContact O-N 3.26Å; N97-L100 PolarHBondContact O-N 2.68Å; N97-Y101 WeakPolarHBondContact O-CD2 3.38Å; N97-Y101 PolarHBondContact O-N 3.37Å; N97-L127 HydrophobicContact CB-CD1 3.7Å
98	A	97.6	Very high	96	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.7	-38.7	175.1	0	0	0	0	0	112.6	R94 K95 L96 T102 A124 L127 Y131	R94-A98 WeakPolarHBondContact O-CB 3.27Å; R94-A98 PolarHBondContact O-N 2.89Å; K95-A98 PolarHBondContact O-N 2.82Å; L96-A98 PolarHBondContact O-N 2.91Å; A98-T102 WeakPolarHBondContact O-CB 3.45Å; A98-T102 PolarHBondContact O-N 2.8Å; A98-T102 PolarHBondContact O-OG1 2.94Å; A98-A124 HydrophobicContact CB-CB 4.35Å; A98-A124 WeakPolarHBondContact O-CB 3.37Å; A98-L127 HydrophobicContact CB-CB 4.05Å; A98-Y131 HydrophobicContact CB-CD1 4.25Å
99	I	97.8	Very high	96.2	Very high	54 Å²	54	44.6 Å²	44.6	28%	0.277	22%	0.216	S	C	.	.	H	α-helix	trans	-63.4	-47.3	173.3	-67.6	164.3	0	0	0	110.7	K64 K95 L96 N97 T102 N103 Y131	K64-I99 HydrophobicContact CD-CG2 4.2Å; K95-I99 VanDerWaalsContact O-CG1 3.31Å; K95-I99 WeakPolarHBondContact O-CG1 3.5Å; K95-I99 PolarHBondContact O-N 3.28Å; L96-I99 WeakPolarHBondContact O-CB 3.49Å; L96-I99 PolarHBondContact O-N 2.79Å; N97-I99 VanDerWaalsContact C-N 3.32Å; N97-I99 PolarHBondContact O-N 3.26Å; I99-T102 PolarHBondContact O-N 2.94Å; I99-N103 WeakPolarHBondContact O-CB 3.41Å; I99-N103 VanDerWaalsContact O-CG 3.31Å; I99-N103 PolarHBondContact O-N 2.8Å; I99-N103 PolarHBondContact O-OD1 3.1Å; I99-Y131 HydrophobicContact CG1-CE1 4.22Å
100	L	98.3	Very high	96.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-59.5	-47.3	178.3	-76.9	169.1	0	0	0	112.1	A60 K64 Y83 L87 L96 N97 T102 N103 R104	A60-L100 HydrophobicContact CB-CD1 4.32Å; K64-L100 HydrophobicContact CB-CD2 3.73Å; K64-L100 HydrophobicContact CG-CD2 4.02Å; Y83-L100 HydrophobicContact CD1-CD2 3.8Å; L87-L100 HydrophobicContact CD2-CB 3.8Å; L87-L100 HydrophobicContact CD2-CD1 4.29Å; L87-L100 HydrophobicContact CG-CB 4Å; L87-L100 HydrophobicContact CG-CD1 4.45Å; L96-L100 HydrophobicContact CG-CD1 4.33Å; L96-L100 WeakPolarHBondContact O-CG 3.5Å; L96-L100 PolarHBondContact O-N 2.85Å; N97-L100 PolarHBondContact O-N 2.68Å; L100-T102 PolarHBondContact O-N 3.12Å; L100-N103 PolarHBondContact O-N 2.98Å; L100-R104 WeakPolarHBondContact O-CB 3.39Å; L100-R104 PolarHBondContact O-N 3.15Å
101	Y	98.6	Very high	97.1	Very high	58 Å²	58	43.9 Å²	43.9	23%	0.227	21%	0.209	C	C	.	.	H	α-helix	trans	-58.7	-46.3	174.4	-83.8	-65.4	0	0	0	111.7	L87 N97 R104 A105 D120 L127	L87-Y101 HydrophobicContact CD1-CD1 3.76Å; L87-Y101 HydrophobicContact CD1-CE1 3.65Å; L87-Y101 HydrophobicContact CD1-CE2 4.43Å; L87-Y101 HydrophobicContact CD1-CG 4.21Å; L87-Y101 HydrophobicContact CD2-CD1 4.37Å; L87-Y101 HydrophobicContact CD2-CD2 3.67Å; L87-Y101 HydrophobicContact CD2-CE1 4.23Å; L87-Y101 HydrophobicContact CD2-CE2 3.48Å; L87-Y101 VanDerWaalsContact CD2-CE2 3.48Å; L87-Y101 HydrophobicContact CD2-CG 4.1Å; N97-Y101 WeakPolarHBondContact O-CD2 3.38Å; N97-Y101 PolarHBondContact O-N 3.37Å; Y101-R104 PolarHBondContact O-N 3.4Å; Y101-A105 WeakPolarHBondContact O-CB 3.44Å; Y101-A105 PolarHBondContact O-N 3.32Å; Y101-D120 HydrophobicContact CD1-CB 4.34Å; Y101-L127 HydrophobicContact CD2-CD1 3.53Å; Y101-L127 HydrophobicContact CE2-CD1 3.52Å
102	T	98.4	Very high	97.4	Very high	3 Å²	3	51 Å²	51	2%	0.018	24%	0.239	C	C	.	.	H	α-helix	trans	-67.4	-40.5	-178.6	-57.7	0	0	0	0	112.2	A98 I99 L100 R104 A105 V106 A124 Y131 K133 A134	A98-T102 WeakPolarHBondContact O-CB 3.45Å; A98-T102 PolarHBondContact O-N 2.8Å; A98-T102 PolarHBondContact O-OG1 2.94Å; I99-T102 PolarHBondContact O-N 2.94Å; L100-T102 PolarHBondContact O-N 3.12Å; T102-R104 VanDerWaalsContact C-N 3.32Å; T102-R104 PolarHBondContact O-N 3.25Å; T102-A105 WeakPolarHBondContact O-CB 3.14Å; T102-A105 PolarHBondContact O-N 3.46Å; T102-V106 VanDerWaalsContact O-CG2 3.23Å; T102-V106 WeakPolarHBondContact O-CG2 3.41Å; T102-V106 PolarHBondContact O-N 2.96Å; T102-A124 VanDerWaalsContact OG1-CB 3.23Å; T102-A124 WeakPolarHBondContact OG1-CB 3.38Å; T102-Y131 VanDerWaalsContact CB-CE1 3.48Å; T102-Y131 HydrophobicContact CG2-CE1 3.79Å; T102-Y131 WeakPolarHBondContact OG1-CD1 3.39Å; T102-Y131 WeakPolarHBondContact OG1-CE1 3.39Å; T102-K133 HydrophobicContact CG2-CB 4.24Å; T102-A134 HydrophobicContact CG2-CB 4.43Å; T102-A134 WeakPolarHBondContact OG1-CB 3.34Å
103	N	98.4	Very high	97.7	Very high	30 Å²	30	49.9 Å²	49.9	16%	0.16	23%	0.225	C	C	.	.	H	α-helix	trans	-64.5	-38.9	176.3	-72.9	4.1	0	0	0	111.5	N68 Y83 I99 L100 V106 C107	N68-N103 PolarHBondContact OD1-ND2 2.87Å; Y83-N103 HydrophobicContact CD1-CB 4.17Å; Y83-N103 HydrophobicContact CD2-CB 4.1Å; Y83-N103 HydrophobicContact CE1-CB 3.76Å; Y83-N103 HydrophobicContact CE2-CB 3.71Å; Y83-N103 HydrophobicContact CG-CB 4.33Å; I99-N103 WeakPolarHBondContact O-CB 3.41Å; I99-N103 VanDerWaalsContact O-CG 3.31Å; I99-N103 PolarHBondContact O-N 2.8Å; I99-N103 PolarHBondContact O-OD1 3.1Å; L100-N103 PolarHBondContact O-N 2.98Å; N103-V106 PolarHBondContact O-N 3.08Å; N103-C107 PolarHBondContact O-N 3.31Å; N103-C107 PolarHBondContact O-SG 3.13Å
104	R	98.6	Very high	97.9	Very high	33 Å²	33	49.3 Å²	49.3	13%	0.125	22%	0.219	C	C	.	.	H	α-helix	trans	-64.9	-40.6	171.8	-165.1	174.7	72.3	-179.7	-2	111.8	I80 Y83 T84 L100 Y101 T102 V106 C107 H108 D120	I80-R104 HydrophobicContact CB-CG 4.41Å; I80-R104 HydrophobicContact CG1-CG 4.09Å; I80-R104 HydrophobicContact CG2-CG 4.14Å; Y83-R104 HydrophobicContact CD2-CB 4.21Å; Y83-R104 HydrophobicContact CG-CB 4.49Å; T84-R104 WeakPolarHBondContact OG1-CD 3.33Å; T84-R104 PolarHBondContact OG1-NH1 2.85Å; T84-R104 VanDerWaalsContact OG1-NH1 3.12Å; L100-R104 WeakPolarHBondContact O-CB 3.39Å; L100-R104 PolarHBondContact O-N 3.15Å; Y101-R104 PolarHBondContact O-N 3.4Å; T102-R104 VanDerWaalsContact C-N 3.32Å; T102-R104 PolarHBondContact O-N 3.25Å; R104-V106 PolarHBondContact O-N 2.67Å; R104-C107 WeakPolarHBondContact O-CB 3.39Å; R104-C107 PolarHBondContact O-N 3.25Å; R104-C107 VanDerWaalsContact O-N 3.16Å; R104-H108 PolarHBondContact O-CD2 3.26Å; R104-H108 PolarHBondContact O-N 3.29Å; R104-D120 IonicContact CZ-OD1 3.47Å; R104-D120 IonicContact CZ-OD2 3.83Å; R104-D120 IonicContact NE-OD1 2.67Å; R104-D120 IonicContact NE-OD2 3.13Å; R104-D120 PolarHBondContact NE-OD2 2.97Å; R104-D120 IonicContact NH2-OD1 2.76Å; R104-D120 PolarHBondContact NH2-OD1 3.35Å; R104-D120 IonicContact NH2-OD2 3.29Å; R104-D120 PolarHBondContact NH2-OD2 3.18Å
105	A	98.5	Very high	98	Very high	0 Å²	0	52 Å²	52	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.5	-44.4	175.4	0	0	0	0	0	111.9	Y101 T102 C107 H108 F109 C117 D120 C121	Y101-A105 WeakPolarHBondContact O-CB 3.44Å; Y101-A105 PolarHBondContact O-N 3.32Å; T102-A105 WeakPolarHBondContact O-CB 3.14Å; T102-A105 PolarHBondContact O-N 3.46Å; A105-C107 VanDerWaalsContact C-N 3.3Å; A105-C107 PolarHBondContact O-N 3.05Å; A105-H108 CarbonylContact O-C 3.56Å; A105-H108 WeakPolarHBondContact O-CB 3.28Å; A105-H108 PolarHBondContact O-N 3.49Å; A105-H108 VanDerWaalsContact O-N 3.17Å; A105-F109 WeakPolarHBondContact O-CB 3.49Å; A105-F109 PolarHBondContact O-N 3.23Å; A105-C117 PolarHBondContact O-SG 3.35Å; A105-D120 HydrophobicContact CB-CB 3.67Å; A105-C121 VanDerWaalsContact CB-SG 3.55Å
106	V	98.5	Very high	98.1	Very high	22 Å²	22	47.5 Å²	47.5	13%	0.133	21%	0.213	C	C	.	.	H	α-helix	trans	-57.8	-43.9	175	175.7	0	0	0	0	110.8	Y71 T102 N103 R104 F109 Y110 K137	Y71-V106 HydrophobicContact CE2-CG1 3.7Å; T102-V106 VanDerWaalsContact O-CG2 3.23Å; T102-V106 WeakPolarHBondContact O-CG2 3.41Å; T102-V106 PolarHBondContact O-N 2.96Å; N103-V106 PolarHBondContact O-N 3.08Å; R104-V106 PolarHBondContact O-N 2.67Å; V106-F109 WeakPolarHBondContact O-CB 3.48Å; V106-F109 PolarHBondContact O-N 2.87Å; V106-Y110 HydrophobicContact CG1-CD2 3.88Å; V106-Y110 HydrophobicContact CG1-CE2 3.56Å; V106-Y110 WeakPolarHBondContact O-CD2 3.33Å; V106-Y110 PolarHBondContact O-N 2.88Å; V106-Y110 VanDerWaalsContact O-N 3.08Å; V106-K137 HydrophobicContact CG2-CD 4.26Å; V106-K137 HydrophobicContact CG2-CG 4.1Å
107	C	98.5	Very high	98.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.7	-42.9	176.2	-62.1	0	0	0	0	111.9	F76 I80 N103 R104 A105 F109 Y110 L111	F76-C107 HydrophobicContact CB-CB 4.21Å; F76-C107 HydrophobicContact CD1-CB 4.41Å; I80-C107 HydrophobicContact CD1-CB 3.83Å; I80-C107 HydrophobicContact CG1-CB 3.49Å; I80-C107 VanDerWaalsContact CG1-CB 3.49Å; N103-C107 PolarHBondContact O-N 3.31Å; N103-C107 PolarHBondContact O-SG 3.13Å; R104-C107 WeakPolarHBondContact O-CB 3.39Å; R104-C107 PolarHBondContact O-N 3.25Å; R104-C107 VanDerWaalsContact O-N 3.16Å; A105-C107 VanDerWaalsContact C-N 3.3Å; A105-C107 PolarHBondContact O-N 3.05Å; C107-F109 VanDerWaalsContact C-N 3.28Å; C107-F109 PolarHBondContact O-N 2.9Å; C107-Y110 PolarHBondContact O-N 2.96Å; C107-L111 WeakPolarHBondContact O-CG 3.26Å; C107-L111 PolarHBondContact O-N 2.66Å; C107-L111 VanDerWaalsContact O-N 3.09Å
108	H	98.6	Very high	98.2	Very high	22 Å²	22	46.6 Å²	46.6	10%	0.102	21%	0.208	C	C	.	.	H	α-helix	trans	-59	-39.9	172.9	-81.2	-54.9	0	0	0	112.1	R104 A105 L111 K112 N113 C117 D120	R104-H108 PolarHBondContact O-CD2 3.26Å; R104-H108 PolarHBondContact O-N 3.29Å; A105-H108 CarbonylContact O-C 3.56Å; A105-H108 WeakPolarHBondContact O-CB 3.28Å; A105-H108 PolarHBondContact O-N 3.49Å; A105-H108 VanDerWaalsContact O-N 3.17Å; H108-L111 CarbonylContact O-C 3.49Å; H108-L111 PolarHBondContact O-N 2.91Å; H108-K112 PolarHBondContact O-N 2.64Å; H108-N113 HydrophobicContact CB-CB 4.01Å; H108-N113 WeakPolarHBondContact O-CA 3.39Å; H108-N113 WeakPolarHBondContact O-CB 2.93Å; H108-N113 PolarHBondContact O-N 2.89Å; H108-C117 HydrophobicContact CB-CB 4Å; H108-D120 IonicContact CD2-OD2 2.76Å; H108-D120 PolarHBondContact CD2-OD2 3.12Å; H108-D120 IonicContact NE2-OD2 2.63Å
109	F	98.5	Very high	98.3	Very high	45 Å²	45	53.8 Å²	53.8	20%	0.197	24%	0.235	C	C	.	.	H	α-helix	trans	-60.8	-47.9	176.9	-175.4	-88.1	0	0	0	111.9	A105 V106 C107 L111 K112 Y114 K137 E140 A141	A105-F109 WeakPolarHBondContact O-CB 3.49Å; A105-F109 PolarHBondContact O-N 3.23Å; V106-F109 WeakPolarHBondContact O-CB 3.48Å; V106-F109 PolarHBondContact O-N 2.87Å; C107-F109 VanDerWaalsContact C-N 3.28Å; C107-F109 PolarHBondContact O-N 2.9Å; F109-L111 PolarHBondContact O-N 2.92Å; F109-K112 WeakPolarHBondContact O-CA 3.18Å; F109-K112 PolarHBondContact O-N 3.12Å; F109-Y114 AromaticContact CD2-CD1 3.94Å; F109-Y114 HydrophobicContact CD2-CD1 3.94Å; F109-Y114 AromaticContact CD2-CE1 3.98Å; F109-Y114 HydrophobicContact CD2-CE1 3.98Å; F109-Y114 HydrophobicContact CE2-CD1 4.17Å; F109-Y114 AromaticContact CE2-CE1 3.95Å; F109-Y114 HydrophobicContact CE2-CE1 3.95Å; F109-Y114 HydrophobicContact CZ-CE1 4.46Å; F109-K137 HydrophobicContact CB-CD 3.99Å; F109-K137 HydrophobicContact CD2-CD 4.08Å; F109-K137 HydrophobicContact CG-CD 3.94Å; F109-E140 HydrophobicContact CE2-CB 3.87Å; F109-E140 HydrophobicContact CZ-CB 4.23Å; F109-A141 HydrophobicContact CD2-CB 4.1Å; F109-A141 HydrophobicContact CE2-CB 4.45Å
110	Y	97.9	Very high	98.3	Very high	122 Å²	122	51.3 Å²	51.3	48%	0.478	22%	0.222	S	C	.	.	H	α-helix	trans	-63.7	-29.4	176.5	-76.6	-64.9	0	0	0	113.3	Y71 F76 V106 C107 K112	Y71-Y110 HydrophobicContact CE2-CD2 4.21Å; Y71-Y110 HydrophobicContact CE2-CE2 4Å; Y71-Y110 WeakPolarHBondContact OH-CE2 3.09Å; F76-Y110 HydrophobicContact CD1-CD2 4.21Å; F76-Y110 HydrophobicContact CD1-CG 4.47Å; F76-Y110 AromaticContact CE1-CD2 3.56Å; F76-Y110 HydrophobicContact CE1-CD2 3.56Å; F76-Y110 HydrophobicContact CE1-CE2 4.28Å; F76-Y110 AromaticContact CE1-CG 3.82Å; F76-Y110 HydrophobicContact CE1-CG 3.82Å; F76-Y110 HydrophobicContact CE2-CG 4.1Å; F76-Y110 HydrophobicContact CZ-CD1 4.16Å; F76-Y110 AromaticContact CZ-CD2 3.82Å; F76-Y110 HydrophobicContact CZ-CD2 3.82Å; F76-Y110 AromaticContact CZ-CG 3.61Å; F76-Y110 HydrophobicContact CZ-CG 3.61Å; V106-Y110 HydrophobicContact CG1-CD2 3.88Å; V106-Y110 HydrophobicContact CG1-CE2 3.56Å; V106-Y110 WeakPolarHBondContact O-CD2 3.33Å; V106-Y110 PolarHBondContact O-N 2.88Å; V106-Y110 VanDerWaalsContact O-N 3.08Å; C107-Y110 PolarHBondContact O-N 2.96Å; Y110-K112 PolarHBondContact O-N 3.28Å
111	L	97.9	Very high	98.3	Very high	66 Å²	66	51.3 Å²	51.3	35%	0.346	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	8.4	172.7	-65.1	177.2	0	0	0	113.7	F76 I80 C107 H108 F109 N113	F76-L111 HydrophobicContact CB-CD1 3.99Å; F76-L111 HydrophobicContact CB-CD2 4.04Å; F76-L111 HydrophobicContact CB-CG 3.85Å; F76-L111 HydrophobicContact CD2-CD2 4.24Å; I80-L111 HydrophobicContact CD1-CD1 3.54Å; C107-L111 WeakPolarHBondContact O-CG 3.26Å; C107-L111 PolarHBondContact O-N 2.66Å; C107-L111 VanDerWaalsContact O-N 3.09Å; H108-L111 CarbonylContact O-C 3.49Å; H108-L111 PolarHBondContact O-N 2.91Å; F109-L111 PolarHBondContact O-N 2.92Å; L111-N113 WeakPolarHBondContact CB-ND2 3.48Å; L111-N113 PolarHBondContact O-N 3.45Å; L111-N113 VanDerWaalsContact O-N 3.11Å
112	K	97.8	Very high	98.3	Very high	156 Å²	156	53.3 Å²	53.3	68%	0.678	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	19.3	-176.1	-53.9	-178.2	179.4	178.9	0	114.4	H108 F109 Y110 Y114	H108-K112 PolarHBondContact O-N 2.64Å; F109-K112 WeakPolarHBondContact O-CA 3.18Å; F109-K112 PolarHBondContact O-N 3.12Å; Y110-K112 PolarHBondContact O-N 3.28Å; K112-Y114 HydrophobicContact CB-CE2 4.07Å; K112-Y114 WeakPolarHBondContact O-CD2 3.38Å; K112-Y114 PolarHBondContact O-N 2.92Å
113	N	98	Very high	98.2	Very high	75 Å²	75	54.9 Å²	54.9	40%	0.401	24%	0.243	S	C	.	.			trans	-84	58.6	175.6	-69.8	-40	0	0	0	110.5	H108 L111 R115 S116 C117	H108-N113 HydrophobicContact CB-CB 4.01Å; H108-N113 WeakPolarHBondContact O-CA 3.39Å; H108-N113 WeakPolarHBondContact O-CB 2.93Å; H108-N113 PolarHBondContact O-N 2.89Å; L111-N113 WeakPolarHBondContact CB-ND2 3.48Å; L111-N113 PolarHBondContact O-N 3.45Å; L111-N113 VanDerWaalsContact O-N 3.11Å; N113-R115 VanDerWaalsContact C-N 3.33Å; N113-R115 PolarHBondContact O-N 3.17Å; N113-S116 PolarHBondContact O-N 3.4Å; N113-S116 VanDerWaalsContact O-N 3.13Å; N113-C117 PolarHBondContact O-N 2.89Å
114	Y	98.1	Very high	98.2	Very high	54 Å²	54	53.4 Å²	53.4	21%	0.212	24%	0.236	C	C	.	.	H	α-helix	trans	-61	-36.6	-168.8	-55.6	-59.3	0	0	0	113.7	F109 K112 S116 C117 I118 A144 L145	F109-Y114 AromaticContact CD2-CD1 3.94Å; F109-Y114 HydrophobicContact CD2-CD1 3.94Å; F109-Y114 AromaticContact CD2-CE1 3.98Å; F109-Y114 HydrophobicContact CD2-CE1 3.98Å; F109-Y114 HydrophobicContact CE2-CD1 4.17Å; F109-Y114 AromaticContact CE2-CE1 3.95Å; F109-Y114 HydrophobicContact CE2-CE1 3.95Å; F109-Y114 HydrophobicContact CZ-CE1 4.46Å; K112-Y114 HydrophobicContact CB-CE2 4.07Å; K112-Y114 WeakPolarHBondContact O-CD2 3.38Å; K112-Y114 PolarHBondContact O-N 2.92Å; Y114-S116 PolarHBondContact O-N 3Å; Y114-C117 WeakPolarHBondContact O-CB 3.41Å; Y114-C117 PolarHBondContact O-N 3.26Å; Y114-I118 VanDerWaalsContact O-CG1 3.29Å; Y114-I118 WeakPolarHBondContact O-CG1 3.35Å; Y114-I118 PolarHBondContact O-N 2.98Å; Y114-A144 HydrophobicContact CD1-CB 3.84Å; Y114-A144 HydrophobicContact CD2-CB 4.25Å; Y114-A144 HydrophobicContact CE1-CB 3.66Å; Y114-A144 HydrophobicContact CE2-CB 4.07Å; Y114-A144 HydrophobicContact CG-CB 4.14Å; Y114-L145 HydrophobicContact CD2-CD2 3.83Å; Y114-L145 HydrophobicContact CD2-CG 4.19Å; Y114-L145 HydrophobicContact CG-CD2 4.31Å; Y114-L145 HydrophobicContact CG-CG 4.22Å
115	R	98	Very high	98.2	Very high	196 Å²	196	52.9 Å²	52.9	74%	0.74	24%	0.236	S	C	*	.	H	α-helix	trans	-62.4	-42.8	176.4	-69.4	-178.2	177.6	154.4	-1.7	112.2	N113 I118 R119 L145	N113-R115 VanDerWaalsContact C-N 3.33Å; N113-R115 PolarHBondContact O-N 3.17Å; R115-I118 PolarHBondContact O-N 3.34Å; R115-R119 PolarHBondContact O-N 3.41Å; R115-R119 VanDerWaalsContact O-N 3.1Å; R115-L145 HydrophobicContact CG-CD1 3.98Å
116	S	98.2	Very high	98.1	Very high	32 Å²	32	56.6 Å²	56.6	22%	0.224	26%	0.262	C	S	.	.	H	α-helix	trans	-66.9	-39.6	175.6	-59.7	0	0	0	0	111.4	N113 Y114 R119 D120	N113-S116 PolarHBondContact O-N 3.4Å; N113-S116 VanDerWaalsContact O-N 3.13Å; Y114-S116 PolarHBondContact O-N 3Å; S116-R119 PolarHBondContact O-N 2.86Å; S116-D120 PolarHBondContact O-N 2.9Å
117	C	98.5	Very high	98	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-57.4	-49.8	173.5	179.4	0	0	0	0	111.7	A105 H108 N113 Y114 R119 D120 C121 A141	A105-C117 PolarHBondContact O-SG 3.35Å; H108-C117 HydrophobicContact CB-CB 4Å; N113-C117 PolarHBondContact O-N 2.89Å; Y114-C117 WeakPolarHBondContact O-CB 3.41Å; Y114-C117 PolarHBondContact O-N 3.26Å; C117-R119 VanDerWaalsContact C-N 3.35Å; C117-R119 PolarHBondContact O-N 3.19Å; C117-D120 PolarHBondContact O-N 2.92Å; C117-C121 PolarHBondContact O-N 3.41Å; C117-C121 PolarHBondContact O-SG 3.11Å; C117-A141 HydrophobicContact CB-CB 4.08Å
118	I	98.2	Very high	97.9	Very high	10 Å²	10	57.9 Å²	57.9	5%	0.051	27%	0.269	C	S	.	.	H	α-helix	trans	-60	-45.2	178.9	-67.4	164.5	0	0	0	110.9	Y114 R115 D120 C121 K122 A141 L145	Y114-I118 VanDerWaalsContact O-CG1 3.29Å; Y114-I118 WeakPolarHBondContact O-CG1 3.35Å; Y114-I118 PolarHBondContact O-N 2.98Å; R115-I118 PolarHBondContact O-N 3.34Å; I118-D120 VanDerWaalsContact C-N 3.33Å; I118-D120 PolarHBondContact O-N 3.45Å; I118-C121 PolarHBondContact O-N 3.38Å; I118-K122 HydrophobicContact CG2-CD 4.14Å; I118-K122 HydrophobicContact CG2-CG 4.41Å; I118-K122 WeakPolarHBondContact O-CG 3.38Å; I118-K122 PolarHBondContact O-N 3.46Å; I118-A141 HydrophobicContact CD1-CB 4.36Å; I118-A141 HydrophobicContact CG1-CB 3.69Å; I118-L145 HydrophobicContact CD1-CD1 3.73Å
119	R	98.3	Very high	97.7	Very high	152 Å²	152	59.6 Å²	59.6	57%	0.574	28%	0.282	S	S	*	.	H	α-helix	trans	-58.8	-45.8	177.9	-177.4	179.4	63.1	-168.2	-2.8	111.6	R115 S116 C117 K122 S123	R115-R119 PolarHBondContact O-N 3.41Å; R115-R119 VanDerWaalsContact O-N 3.1Å; S116-R119 PolarHBondContact O-N 2.86Å; C117-R119 VanDerWaalsContact C-N 3.35Å; C117-R119 PolarHBondContact O-N 3.19Å; R119-K122 PolarHBondContact O-N 3.47Å; R119-S123 PolarHBondContact O-N 3.28Å; R119-S123 PolarHBondContact O-OG 2.91Å
120	D	98.4	Very high	97.6	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-66.2	-39.2	178.5	-76.3	-6.3	0	0	0	112.1	Y101 R104 A105 H108 S116 C117 I118 S123 A124	Y101-D120 HydrophobicContact CD1-CB 4.34Å; R104-D120 IonicContact CZ-OD1 3.47Å; R104-D120 IonicContact CZ-OD2 3.83Å; R104-D120 IonicContact NE-OD1 2.67Å; R104-D120 IonicContact NE-OD2 3.13Å; R104-D120 PolarHBondContact NE-OD2 2.97Å; R104-D120 IonicContact NH2-OD1 2.76Å; R104-D120 PolarHBondContact NH2-OD1 3.35Å; R104-D120 IonicContact NH2-OD2 3.29Å; R104-D120 PolarHBondContact NH2-OD2 3.18Å; A105-D120 HydrophobicContact CB-CB 3.67Å; H108-D120 IonicContact CD2-OD2 2.76Å; H108-D120 PolarHBondContact CD2-OD2 3.12Å; H108-D120 IonicContact NE2-OD2 2.63Å; S116-D120 PolarHBondContact O-N 2.9Å; C117-D120 PolarHBondContact O-N 2.92Å; I118-D120 VanDerWaalsContact C-N 3.33Å; I118-D120 PolarHBondContact O-N 3.45Å; D120-S123 PolarHBondContact O-N 3.46Å; D120-A124 WeakPolarHBondContact O-CB 3.32Å; D120-A124 PolarHBondContact O-N 3.24Å
121	C	98.3	Very high	97.4	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.007	28%	0.277	C	S	.	.	H	α-helix	trans	-63.5	-42.2	174.6	-64.8	0	0	0	0	111.7	A105 C117 I118 S123 A124 V125 A134 G138	A105-C121 VanDerWaalsContact CB-SG 3.55Å; C117-C121 PolarHBondContact O-N 3.41Å; C117-C121 PolarHBondContact O-SG 3.11Å; I118-C121 PolarHBondContact O-N 3.38Å; C121-S123 VanDerWaalsContact C-N 3.34Å; C121-S123 PolarHBondContact O-N 3.21Å; C121-A124 PolarHBondContact O-N 3.14Å; C121-V125 WeakPolarHBondContact O-CG2 3.44Å; C121-V125 PolarHBondContact O-N 3.01Å; C121-A134 WeakPolarHBondContact CB-O 3.14Å; C121-G138 PolarHBondContact SG-N 3.4Å; C121-G138 VanDerWaalsContact SG-N 3.42Å
122	K	97.9	Very high	97.4	Very high	100 Å²	100	56.5 Å²	56.5	44%	0.435	27%	0.272	S	S	.	.	H	α-helix	trans	-61.2	-41.6	175.1	-72.6	-178.4	-177.9	-178.6	0	111.5	I118 R119 V125 S126 E150	I118-K122 HydrophobicContact CG2-CD 4.14Å; I118-K122 HydrophobicContact CG2-CG 4.41Å; I118-K122 WeakPolarHBondContact O-CG 3.38Å; I118-K122 PolarHBondContact O-N 3.46Å; R119-K122 PolarHBondContact O-N 3.47Å; K122-V125 PolarHBondContact O-N 3.42Å; K122-S126 PolarHBondContact O-N 3Å; K122-E150 IonicContact NZ-OE2 3.51Å; K122-E150 PolarHBondContact NZ-OE2 2.91Å
123	S	98.1	Very high	97.3	Very high	35 Å²	35	56 Å²	56	25%	0.245	27%	0.27	C	S	.	.	H	α-helix	trans	-65.5	-38.4	173.6	-62	0	0	0	0	112.9	R119 D120 C121 S126 L127	R119-S123 PolarHBondContact O-N 3.28Å; R119-S123 PolarHBondContact O-OG 2.91Å; D120-S123 PolarHBondContact O-N 3.46Å; C121-S123 VanDerWaalsContact C-N 3.34Å; C121-S123 PolarHBondContact O-N 3.21Å; S123-S126 PolarHBondContact O-OG 2.63Å; S123-L127 WeakPolarHBondContact O-CG 3.45Å; S123-L127 PolarHBondContact O-N 2.86Å
124	A	98.1	Very high	97.3	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-65.8	-42.8	176.3	0	0	0	0	0	111.8	A98 T102 D120 C121 L127 S128 A134	A98-A124 HydrophobicContact CB-CB 4.35Å; A98-A124 WeakPolarHBondContact O-CB 3.37Å; T102-A124 VanDerWaalsContact OG1-CB 3.23Å; T102-A124 WeakPolarHBondContact OG1-CB 3.38Å; D120-A124 WeakPolarHBondContact O-CB 3.32Å; D120-A124 PolarHBondContact O-N 3.24Å; C121-A124 PolarHBondContact O-N 3.14Å; A124-L127 PolarHBondContact O-N 3.41Å; A124-S128 PolarHBondContact O-N 3.3Å; A124-A134 HydrophobicContact CB-CB 3.7Å
125	V	97.2	Very high	97.3	Very high	22 Å²	22	50 Å²	50	13%	0.133	24%	0.242	C	C	.	.	H	α-helix	trans	-65.1	-39.8	177.4	167	0	0	0	0	111.8	C121 K122 L127 S128 P129 A134 Y135	C121-V125 WeakPolarHBondContact O-CG2 3.44Å; C121-V125 PolarHBondContact O-N 3.01Å; K122-V125 PolarHBondContact O-N 3.42Å; V125-L127 VanDerWaalsContact C-N 3.26Å; V125-L127 PolarHBondContact O-N 2.89Å; V125-S128 CarbonylContact O-C 3.6Å; V125-P129 WeakPolarHBondContact O-CA 3.32Å; V125-P129 WeakPolarHBondContact O-CD 3.22Å; V125-P129 WeakPolarHBondContact O-CG 3.48Å; V125-P129 VanDerWaalsContact O-N 3.15Å; V125-A134 HydrophobicContact CG2-CB 3.88Å; V125-Y135 HydrophobicContact CB-CE1 4.37Å; V125-Y135 HydrophobicContact CG1-CE1 3.63Å; V125-Y135 HydrophobicContact CG1-CE2 4.27Å; V125-Y135 VanDerWaalsContact CG1-CZ 3.48Å; V125-Y135 WeakPolarHBondContact CG1-OH 3.42Å; V125-Y135 HydrophobicContact CG2-CD1 3.9Å; V125-Y135 HydrophobicContact CG2-CD2 3.98Å; V125-Y135 HydrophobicContact CG2-CE1 3.75Å; V125-Y135 HydrophobicContact CG2-CE2 3.84Å; V125-Y135 HydrophobicContact CG2-CG 4.02Å
126	S	96.9	Very high	97.3	Very high	77 Å²	77	42 Å²	42	54%	0.538	22%	0.215	S	C	.	.	H	α-helix	trans	-66.5	-30.5	176.6	69.8	0	0	0	0	112.6	R94 K122 S123	R94-S126 PolarHBondContact NH2-O 2.71Å; K122-S126 PolarHBondContact O-N 3Å; S123-S126 PolarHBondContact O-OG 2.63Å
127	L	96.6	Very high	97.3	Very high	39 Å²	39	41.8 Å²	41.8	20%	0.204	21%	0.21	C	C	.	.	H	α-helix	trans	-77.7	-44.8	176.1	-73.7	169.5	0	0	0	112.9	R94 N97 A98 Y101 S123 A124 V125	R94-L127 HydrophobicContact CG-CD2 4.33Å; R94-L127 PolarHBondContact NE-O 3.35Å; R94-L127 PolarHBondContact NH2-O 3.33Å; N97-L127 HydrophobicContact CB-CD1 3.7Å; A98-L127 HydrophobicContact CB-CB 4.05Å; Y101-L127 HydrophobicContact CD2-CD1 3.53Å; Y101-L127 HydrophobicContact CE2-CD1 3.52Å; S123-L127 WeakPolarHBondContact O-CG 3.45Å; S123-L127 PolarHBondContact O-N 2.86Å; A124-L127 PolarHBondContact O-N 3.41Å; V125-L127 VanDerWaalsContact C-N 3.26Å; V125-L127 PolarHBondContact O-N 2.89Å
128	S	95.9	Very high	97.2	Very high	11 Å²	11	41.8 Å²	41.8	8%	0.077	21%	0.21	C	C	.	.			trans	-137.1	88.3	-177.8	-151.3	0	0	0	0	109.6	A124 V125 D130 Y131	A124-S128 PolarHBondContact O-N 3.3Å; V125-S128 CarbonylContact O-C 3.6Å; S128-D130 WeakPolarHBondContact CB-OD1 3.08Å; S128-D130 PolarHBondContact O-N 2.95Å; S128-D130 VanDerWaalsContact O-N 3.1Å; S128-D130 PolarHBondContact OG-OD1 3.48Å; S128-Y131 WeakPolarHBondContact O-CB 3.38Å; S128-Y131 PolarHBondContact O-N 2.89Å
129	P	96	Very high	97.2	Very high	58 Å²	58	41.3 Å²	41.3	38%	0.377	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-14.8	-178.2	-24.9	34.7	0	0	0	114.7	V125 Y135 V161	V125-P129 WeakPolarHBondContact O-CA 3.32Å; V125-P129 WeakPolarHBondContact O-CD 3.22Å; V125-P129 WeakPolarHBondContact O-CG 3.48Å; V125-P129 VanDerWaalsContact O-N 3.15Å; P129-Y135 WeakPolarHBondContact O-CE2 3.47Å; P129-Y135 PolarHBondContact O-OH 3.47Å; P129-V161 HydrophobicContact CB-CG1 4.43Å; P129-V161 HydrophobicContact CB-CG2 4.29Å; P129-V161 WeakPolarHBondContact O-CG1 3.34Å
130	D	94.5	Very high	97.2	Very high	76 Å²	76	37.1 Å²	37.1	41%	0.406	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-3	175.3	62.3	-24	0	0	0	113.3	S128 I132 L162	S128-D130 WeakPolarHBondContact CB-OD1 3.08Å; S128-D130 PolarHBondContact O-N 2.95Å; S128-D130 VanDerWaalsContact O-N 3.1Å; S128-D130 PolarHBondContact OG-OD1 3.48Å; D130-I132 PolarHBondContact O-N 2.94Å; D130-L162 WeakPolarHBondContact O-CD1 3.35Å
131	Y	95.7	Very high	97.2	Very high	43 Å²	43	37 Å²	37	17%	0.169	19%	0.194	C	C	.	.			trans	-85.1	84.8	-174	-168.2	-142.6	0	0	0	113	A98 I99 T102 S128 K133 A134 Y135	A98-Y131 HydrophobicContact CB-CD1 4.25Å; I99-Y131 HydrophobicContact CG1-CE1 4.22Å; T102-Y131 VanDerWaalsContact CB-CE1 3.48Å; T102-Y131 HydrophobicContact CG2-CE1 3.79Å; T102-Y131 WeakPolarHBondContact OG1-CD1 3.39Å; T102-Y131 WeakPolarHBondContact OG1-CE1 3.39Å; S128-Y131 WeakPolarHBondContact O-CB 3.38Å; S128-Y131 PolarHBondContact O-N 2.89Å; Y131-K133 HydrophobicContact CD2-CB 4.46Å; Y131-K133 HydrophobicContact CE1-CB 4.39Å; Y131-K133 HydrophobicContact CE2-CB 3.9Å; Y131-K133 HydrophobicContact CE2-CD 3.99Å; Y131-K133 HydrophobicContact CE2-CG 4.15Å; Y131-K133 PolarHBondContact O-N 3.47Å; Y131-K133 VanDerWaalsContact O-N 3.1Å; Y131-A134 HydrophobicContact CD1-CB 3.91Å; Y131-A134 WeakPolarHBondContact O-CB 3.36Å; Y131-A134 PolarHBondContact O-N 3.38Å; Y131-Y135 WeakPolarHBondContact O-CD2 3.44Å
132	I	96.2	Very high	97.2	Very high	48 Å²	48	37 Å²	37	25%	0.246	19%	0.194	C	C	.	.	H	α-helix	trans	-47	-43.2	-177.2	-61.1	171.6	0	0	0	113.2	D130 A134 Y135 V136 L162 E167 L168	D130-I132 PolarHBondContact O-N 2.94Å; I132-A134 PolarHBondContact O-N 3.4Å; I132-Y135 PolarHBondContact O-N 3.4Å; I132-Y135 VanDerWaalsContact O-N 3.09Å; I132-V136 HydrophobicContact CG2-CG2 3.99Å; I132-V136 PolarHBondContact O-N 2.79Å; I132-L162 HydrophobicContact CD1-CD1 3.83Å; I132-L162 HydrophobicContact CG1-CD1 3.23Å; I132-E167 HydrophobicContact CG2-CB 4.38Å; I132-L168 HydrophobicContact CG2-CD2 4.25Å; I132-L168 HydrophobicContact CG2-CG 4.22Å
133	K	96.7	Very high	97.1	Very high	145 Å²	145	34.6 Å²	34.6	63%	0.63	18%	0.184	S	C	*	.	H	α-helix	trans	-60	-32	-176.3	-67.2	-178.4	179.4	176.3	0	112.8	T102 Y131 K137	T102-K133 HydrophobicContact CG2-CB 4.24Å; Y131-K133 HydrophobicContact CD2-CB 4.46Å; Y131-K133 HydrophobicContact CE1-CB 4.39Å; Y131-K133 HydrophobicContact CE2-CB 3.9Å; Y131-K133 HydrophobicContact CE2-CD 3.99Å; Y131-K133 HydrophobicContact CE2-CG 4.15Å; Y131-K133 PolarHBondContact O-N 3.47Å; Y131-K133 VanDerWaalsContact O-N 3.1Å; K133-K137 WeakPolarHBondContact O-CB 3.46Å; K133-K137 PolarHBondContact O-N 2.96Å; K133-K137 VanDerWaalsContact O-N 3.1Å
134	A	97.6	Very high	97.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-67.9	-44.8	176.1	0	0	0	0	0	111.5	T102 C121 A124 V125 Y131 I132 G138	T102-A134 HydrophobicContact CG2-CB 4.43Å; T102-A134 WeakPolarHBondContact OG1-CB 3.34Å; C121-A134 WeakPolarHBondContact CB-O 3.14Å; A124-A134 HydrophobicContact CB-CB 3.7Å; V125-A134 HydrophobicContact CG2-CB 3.88Å; Y131-A134 HydrophobicContact CD1-CB 3.91Å; Y131-A134 WeakPolarHBondContact O-CB 3.36Å; Y131-A134 PolarHBondContact O-N 3.38Å; I132-A134 PolarHBondContact O-N 3.4Å; A134-G138 PolarHBondContact O-N 3.15Å
135	Y	98.1	Very high	97	Very high	5 Å²	5	38 Å²	38	2%	0.02	21%	0.206	C	C	.	.	H	α-helix	trans	-61.7	-52.1	175.7	-67	-85.4	0	0	0	111.3	V125 P129 Y131 I132 K137 G138 I139 L154 A157 L168	V125-Y135 HydrophobicContact CB-CE1 4.37Å; V125-Y135 HydrophobicContact CG1-CE1 3.63Å; V125-Y135 HydrophobicContact CG1-CE2 4.27Å; V125-Y135 VanDerWaalsContact CG1-CZ 3.48Å; V125-Y135 WeakPolarHBondContact CG1-OH 3.42Å; V125-Y135 HydrophobicContact CG2-CD1 3.9Å; V125-Y135 HydrophobicContact CG2-CD2 3.98Å; V125-Y135 HydrophobicContact CG2-CE1 3.75Å; V125-Y135 HydrophobicContact CG2-CE2 3.84Å; V125-Y135 HydrophobicContact CG2-CG 4.02Å; P129-Y135 WeakPolarHBondContact O-CE2 3.47Å; P129-Y135 PolarHBondContact O-OH 3.47Å; Y131-Y135 WeakPolarHBondContact O-CD2 3.44Å; I132-Y135 PolarHBondContact O-N 3.4Å; I132-Y135 VanDerWaalsContact O-N 3.09Å; Y135-K137 VanDerWaalsContact C-N 3.33Å; Y135-K137 PolarHBondContact O-N 2.85Å; Y135-G138 PolarHBondContact O-N 3.09Å; Y135-G138 VanDerWaalsContact O-N 3.13Å; Y135-I139 WeakPolarHBondContact O-CG1 3.41Å; Y135-I139 PolarHBondContact O-N 3.18Å; Y135-L154 HydrophobicContact CD1-CD1 3.6Å; Y135-L154 HydrophobicContact CD1-CG 3.97Å; Y135-L154 WeakPolarHBondContact CD1-O 3.49Å; Y135-L154 HydrophobicContact CE1-CD1 4.03Å; Y135-A157 HydrophobicContact CE1-CB 4.31Å; Y135-L168 HydrophobicContact CG-CD2 4.49Å
136	V	97.7	Very high	96.8	Very high	27 Å²	27	40.8 Å²	40.8	16%	0.164	23%	0.227	C	C	.	.	H	α-helix	trans	-55.5	-49.5	-179.2	173.5	0	0	0	0	110.7	I132 G138 I139 E140 E167 L168 M171	I132-V136 HydrophobicContact CG2-CG2 3.99Å; I132-V136 PolarHBondContact O-N 2.79Å; V136-G138 VanDerWaalsContact C-N 3.34Å; V136-G138 PolarHBondContact O-N 3.22Å; V136-I139 PolarHBondContact O-N 3.3Å; V136-E140 WeakPolarHBondContact O-CG 3.06Å; V136-E140 PolarHBondContact O-N 3.08Å; V136-E167 HydrophobicContact CG2-CB 4.03Å; V136-L168 HydrophobicContact CG2-CD2 3.8Å; V136-M171 HydrophobicContact CG1-CG 4.17Å; V136-M171 HydrophobicContact CG1-SD 4.42Å; V136-M171 HydrophobicContact CG2-CG 4.41Å
137	K	98.1	Very high	96.7	Very high	28 Å²	28	40.9 Å²	40.9	12%	0.122	22%	0.217	C	C	.	.	H	α-helix	trans	-65.1	-37.9	179.8	-171.4	54.4	54.1	-175.6	0	112.6	V106 F109 K133 Y135 E140 A141	V106-K137 HydrophobicContact CG2-CD 4.26Å; V106-K137 HydrophobicContact CG2-CG 4.1Å; F109-K137 HydrophobicContact CB-CD 3.99Å; F109-K137 HydrophobicContact CD2-CD 4.08Å; F109-K137 HydrophobicContact CG-CD 3.94Å; K133-K137 WeakPolarHBondContact O-CB 3.46Å; K133-K137 PolarHBondContact O-N 2.96Å; K133-K137 VanDerWaalsContact O-N 3.1Å; Y135-K137 VanDerWaalsContact C-N 3.33Å; Y135-K137 PolarHBondContact O-N 2.85Å; K137-E140 WeakPolarHBondContact CE-OE2 3.01Å; K137-E140 IonicContact NZ-OE2 3.47Å; K137-E140 PolarHBondContact NZ-OE2 2.79Å; K137-A141 WeakPolarHBondContact O-CB 3.23Å; K137-A141 PolarHBondContact O-N 3.35Å
138	G	97.9	Very high	96.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65.1	-42.9	175.3	0	0	0	0	0	112.3	C121 A134 Y135 V136 A141 C142	C121-G138 PolarHBondContact SG-N 3.4Å; C121-G138 VanDerWaalsContact SG-N 3.42Å; A134-G138 PolarHBondContact O-N 3.15Å; Y135-G138 PolarHBondContact O-N 3.09Å; Y135-G138 VanDerWaalsContact O-N 3.13Å; V136-G138 VanDerWaalsContact C-N 3.34Å; V136-G138 PolarHBondContact O-N 3.22Å; G138-A141 PolarHBondContact O-N 3.37Å; G138-C142 PolarHBondContact O-N 3.05Å; G138-C142 PolarHBondContact O-SG 3.46Å; G138-C142 VanDerWaalsContact O-SG 3.32Å
139	I	98	Very high	96.6	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.8	-46.3	177.3	-63	161.1	0	0	0	109.8	Y135 V136 A141 C142 M143 A151 L154 L168 M171 V175	Y135-I139 WeakPolarHBondContact O-CG1 3.41Å; Y135-I139 PolarHBondContact O-N 3.18Å; V136-I139 PolarHBondContact O-N 3.3Å; I139-A141 VanDerWaalsContact C-N 3.27Å; I139-A141 PolarHBondContact O-N 3.26Å; I139-C142 PolarHBondContact O-N 3.11Å; I139-M143 HydrophobicContact CG2-CG 4.26Å; I139-M143 WeakPolarHBondContact O-CB 3.32Å; I139-M143 WeakPolarHBondContact O-CG 3.48Å; I139-M143 PolarHBondContact O-N 2.91Å; I139-A151 HydrophobicContact CG2-CB 4.26Å; I139-L154 HydrophobicContact CG1-CB 4.16Å; I139-L154 HydrophobicContact CG1-CD2 3.96Å; I139-L154 HydrophobicContact CG1-CG 4.05Å; I139-L168 HydrophobicContact CD1-CD2 4.24Å; I139-M171 HydrophobicContact CB-CE 3.84Å; I139-M171 HydrophobicContact CD1-CB 4.05Å; I139-M171 HydrophobicContact CG2-CB 4.2Å; I139-M171 HydrophobicContact CG2-CE 3.47Å; I139-M171 VanDerWaalsContact CG2-CE 3.47Å; I139-V175 HydrophobicContact CG2-CG2 3.46Å; I139-V175 VanDerWaalsContact CG2-CG2 3.46Å
140	E	97.9	Very high	96.6	Very high	63 Å²	63	43.6 Å²	43.6	29%	0.294	23%	0.226	S	C	.	.	H	α-helix	trans	-56.2	-42.1	174.4	-72.9	177	164.6	0	0	112	F109 V136 K137 M143 A144 M171	F109-E140 HydrophobicContact CE2-CB 3.87Å; F109-E140 HydrophobicContact CZ-CB 4.23Å; V136-E140 WeakPolarHBondContact O-CG 3.06Å; V136-E140 PolarHBondContact O-N 3.08Å; K137-E140 WeakPolarHBondContact CE-OE2 3.01Å; K137-E140 IonicContact NZ-OE2 3.47Å; K137-E140 PolarHBondContact NZ-OE2 2.79Å; E140-M143 PolarHBondContact O-N 2.89Å; E140-A144 WeakPolarHBondContact O-CB 3.49Å; E140-A144 PolarHBondContact O-N 2.91Å; E140-M171 HydrophobicContact CB-CE 4.39Å; E140-M171 HydrophobicContact CG-CE 3.51Å; E140-M171 HydrophobicContact CG-SD 4.32Å
141	A	98.1	Very high	96.7	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-69.3	-38.1	178.5	0	0	0	0	0	113	F109 C117 I118 K137 G138 I139 A144 L145	F109-A141 HydrophobicContact CD2-CB 4.1Å; F109-A141 HydrophobicContact CE2-CB 4.45Å; C117-A141 HydrophobicContact CB-CB 4.08Å; I118-A141 HydrophobicContact CD1-CB 4.36Å; I118-A141 HydrophobicContact CG1-CB 3.69Å; K137-A141 WeakPolarHBondContact O-CB 3.23Å; K137-A141 PolarHBondContact O-N 3.35Å; G138-A141 PolarHBondContact O-N 3.37Å; I139-A141 VanDerWaalsContact C-N 3.27Å; I139-A141 PolarHBondContact O-N 3.26Å; A141-A144 PolarHBondContact O-N 2.85Å; A141-L145 PolarHBondContact O-N 3.29Å
142	C	97.9	Very high	96.8	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.007	21%	0.209	C	C	.	.	H	α-helix	trans	-64.6	-43.6	173.6	-69.7	0	0	0	0	111.3	G138 I139 A144 L145 S146 K147 A151	G138-C142 PolarHBondContact O-N 3.05Å; G138-C142 PolarHBondContact O-SG 3.46Å; G138-C142 VanDerWaalsContact O-SG 3.32Å; I139-C142 PolarHBondContact O-N 3.11Å; C142-A144 VanDerWaalsContact C-N 3.33Å; C142-A144 PolarHBondContact O-N 3.21Å; C142-L145 CarbonylContact O-C 3.59Å; C142-L145 PolarHBondContact O-N 3.32Å; C142-S146 PolarHBondContact O-N 3.12Å; C142-K147 HydrophobicContact CB-CB 4.44Å; C142-K147 PolarHBondContact O-N 3.26Å; C142-A151 HydrophobicContact CB-CB 3.62Å
143	M	96.9	Very high	96.8	Very high	49 Å²	49	43.5 Å²	43.5	24%	0.241	23%	0.225	C	C	.	.	H	α-helix	trans	-61.9	-39.3	176	-70.3	-68.5	-72	0	0	111.9	I139 E140 L145 S146 A151 V175 K178	I139-M143 HydrophobicContact CG2-CG 4.26Å; I139-M143 WeakPolarHBondContact O-CB 3.32Å; I139-M143 WeakPolarHBondContact O-CG 3.48Å; I139-M143 PolarHBondContact O-N 2.91Å; E140-M143 PolarHBondContact O-N 2.89Å; M143-L145 PolarHBondContact O-N 3.39Å; M143-S146 PolarHBondContact O-N 2.86Å; M143-S146 VanDerWaalsContact O-N 3.08Å; M143-A151 HydrophobicContact CG-CB 4.27Å; M143-A151 HydrophobicContact SD-CB 4.23Å; M143-V175 HydrophobicContact CE-CG2 4.46Å; M143-V175 HydrophobicContact CG-CG2 4.02Å; M143-V175 HydrophobicContact SD-CB 4.03Å; M143-V175 HydrophobicContact SD-CG1 3.98Å; M143-V175 HydrophobicContact SD-CG2 3.66Å; M143-K178 HydrophobicContact CE-CB 3.63Å; M143-K178 HydrophobicContact CE-CG 3.98Å; M143-K178 HydrophobicContact SD-CB 4.46Å
144	A	96.5	Very high	96.7	Very high	47 Å²	47	37.5 Å²	37.5	39%	0.388	20%	0.2	S	C	.	.	H	α-helix	trans	-64.8	-21.7	174.7	0	0	0	0	0	113.7	Y114 E140 A141 C142	Y114-A144 HydrophobicContact CD1-CB 3.84Å; Y114-A144 HydrophobicContact CD2-CB 4.25Å; Y114-A144 HydrophobicContact CE1-CB 3.66Å; Y114-A144 HydrophobicContact CE2-CB 4.07Å; Y114-A144 HydrophobicContact CG-CB 4.14Å; E140-A144 WeakPolarHBondContact O-CB 3.49Å; E140-A144 PolarHBondContact O-N 2.91Å; A141-A144 PolarHBondContact O-N 2.85Å; C142-A144 VanDerWaalsContact C-N 3.33Å; C142-A144 PolarHBondContact O-N 3.21Å
145	L	95.9	Very high	96.6	Very high	59 Å²	59	37.5 Å²	37.5	31%	0.309	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	6	174.1	-71.3	179.9	0	0	0	113.5	Y114 R115 I118 A141 C142 M143 K147	Y114-L145 HydrophobicContact CD2-CD2 3.83Å; Y114-L145 HydrophobicContact CD2-CG 4.19Å; Y114-L145 HydrophobicContact CG-CD2 4.31Å; Y114-L145 HydrophobicContact CG-CG 4.22Å; R115-L145 HydrophobicContact CG-CD1 3.98Å; I118-L145 HydrophobicContact CD1-CD1 3.73Å; A141-L145 PolarHBondContact O-N 3.29Å; C142-L145 CarbonylContact O-C 3.59Å; C142-L145 PolarHBondContact O-N 3.32Å; M143-L145 PolarHBondContact O-N 3.39Å; L145-K147 HydrophobicContact CB-CB 4.48Å; L145-K147 HydrophobicContact CB-CD 4.05Å; L145-K147 HydrophobicContact CB-CG 4Å; L145-K147 HydrophobicContact CD1-CD 4.13Å; L145-K147 PolarHBondContact O-N 3.15Å; L145-K147 VanDerWaalsContact O-N 3.13Å
146	S	93.1	Very high	96.5	Very high	81 Å²	81	39.6 Å²	39.6	57%	0.566	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	25.8	-171.2	-58.3	0	0	0	0	113.8	C142 M143 V148	C142-S146 PolarHBondContact O-N 3.12Å; M143-S146 PolarHBondContact O-N 2.86Å; M143-S146 VanDerWaalsContact O-N 3.08Å; S146-V148 VanDerWaalsContact C-N 3.32Å; S146-V148 PolarHBondContact O-N 3.14Å
147	K	95.1	Very high	96.4	Very high	79 Å²	79	40.2 Å²	40.2	34%	0.343	22%	0.223	S	C	.	.			trans	-89	72	175.7	-72.1	178.9	154.8	-142	0	109.4	C142 L145 E150 A151	C142-K147 HydrophobicContact CB-CB 4.44Å; C142-K147 PolarHBondContact O-N 3.26Å; L145-K147 HydrophobicContact CB-CB 4.48Å; L145-K147 HydrophobicContact CB-CD 4.05Å; L145-K147 HydrophobicContact CB-CG 4Å; L145-K147 HydrophobicContact CD1-CD 4.13Å; L145-K147 PolarHBondContact O-N 3.15Å; L145-K147 VanDerWaalsContact O-N 3.13Å; K147-E150 HydrophobicContact CB-CB 4.36Å; K147-E150 WeakPolarHBondContact CD-OE1 3.5Å; K147-E150 WeakPolarHBondContact CE-OE1 3.32Å; K147-E150 IonicContact NZ-OE1 3.53Å; K147-E150 PolarHBondContact NZ-OE1 3.18Å; K147-A151 WeakPolarHBondContact O-CB 3.35Å; K147-A151 PolarHBondContact O-N 2.67Å; K147-A151 VanDerWaalsContact O-N 3.14Å
148	V	95.5	Very high	96.3	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.024	22%	0.218	C	C	.	.	H	α-helix	trans	-66.9	-38.1	-172.2	-173.5	0	0	0	0	111.6	S146 A151 L152 V175 K178 Q179 L182	S146-V148 VanDerWaalsContact C-N 3.32Å; S146-V148 PolarHBondContact O-N 3.14Å; V148-A151 WeakPolarHBondContact O-CB 3.49Å; V148-A151 PolarHBondContact O-N 2.97Å; V148-A151 VanDerWaalsContact O-N 3.15Å; V148-L152 HydrophobicContact CG1-CD1 4.37Å; V148-L152 HydrophobicContact CG1-CG 4.44Å; V148-L152 WeakPolarHBondContact O-CG 3.14Å; V148-L152 PolarHBondContact O-N 3.08Å; V148-V175 HydrophobicContact CG1-CG1 3.73Å; V148-K178 HydrophobicContact CG2-CG 3.92Å; V148-Q179 HydrophobicContact CG1-CB 3.81Å; V148-Q179 HydrophobicContact CG1-CG 4.48Å; V148-L182 HydrophobicContact CB-CD1 4.37Å; V148-L182 HydrophobicContact CG2-CD1 3.53Å
149	D	95.5	Very high	96.2	Very high	111 Å²	111	39.9 Å²	39.9	59%	0.594	22%	0.223	S	C	*	.	H	α-helix	trans	-59.4	-51.6	176.7	-56.6	-45.8	0	0	0	112.2	A151 L152 E153	D149-A151 PolarHBondContact O-N 3.13Å; D149-L152 PolarHBondContact O-N 3.23Å; D149-L152 VanDerWaalsContact O-N 3.12Å; D149-E153 WeakPolarHBondContact O-CG 3.46Å; D149-E153 PolarHBondContact O-N 3.43Å
150	E	95.9	Very high	96.1	Very high	49 Å²	49	46.2 Å²	46.2	23%	0.229	26%	0.257	C	S	.	.	H	α-helix	trans	-62.6	-31	177.1	-70.3	-168	-120.6	0	0	112	K122 K147 L154	K122-E150 IonicContact NZ-OE2 3.51Å; K122-E150 PolarHBondContact NZ-OE2 2.91Å; K147-E150 HydrophobicContact CB-CB 4.36Å; K147-E150 WeakPolarHBondContact CD-OE1 3.5Å; K147-E150 WeakPolarHBondContact CE-OE1 3.32Å; K147-E150 IonicContact NZ-OE1 3.53Å; K147-E150 PolarHBondContact NZ-OE1 3.18Å; E150-L154 WeakPolarHBondContact O-CB 3.41Å; E150-L154 PolarHBondContact O-N 2.87Å; E150-L154 VanDerWaalsContact O-N 3.07Å
151	A	97.3	Very high	96	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-70.5	-40.1	176.1	0	0	0	0	0	111.5	I139 C142 M143 K147 V148 D149 S155 V175	I139-A151 HydrophobicContact CG2-CB 4.26Å; C142-A151 HydrophobicContact CB-CB 3.62Å; M143-A151 HydrophobicContact CG-CB 4.27Å; M143-A151 HydrophobicContact SD-CB 4.23Å; K147-A151 WeakPolarHBondContact O-CB 3.35Å; K147-A151 PolarHBondContact O-N 2.67Å; K147-A151 VanDerWaalsContact O-N 3.14Å; V148-A151 WeakPolarHBondContact O-CB 3.49Å; V148-A151 PolarHBondContact O-N 2.97Å; V148-A151 VanDerWaalsContact O-N 3.15Å; D149-A151 PolarHBondContact O-N 3.13Å; A151-S155 WeakPolarHBondContact O-CB 3.5Å; A151-S155 PolarHBondContact O-N 2.78Å; A151-S155 PolarHBondContact O-OG 2.87Å; A151-V175 HydrophobicContact CB-CG1 3.74Å; A151-V175 HydrophobicContact CB-CG2 4.03Å
152	L	96.2	Very high	95.8	Very high	42 Å²	42	48.7 Å²	48.7	22%	0.22	27%	0.274	C	S	.	.	H	α-helix	trans	-65.5	-47.7	174.7	-74.3	174.3	0	0	0	111.1	V148 D149 L154 S155 S156 V175 L176 Q179	V148-L152 HydrophobicContact CG1-CD1 4.37Å; V148-L152 HydrophobicContact CG1-CG 4.44Å; V148-L152 WeakPolarHBondContact O-CG 3.14Å; V148-L152 PolarHBondContact O-N 3.08Å; D149-L152 PolarHBondContact O-N 3.23Å; D149-L152 VanDerWaalsContact O-N 3.12Å; L152-L154 VanDerWaalsContact C-N 3.33Å; L152-L154 PolarHBondContact O-N 2.83Å; L152-S155 WeakPolarHBondContact CA-OG 3.36Å; L152-S155 PolarHBondContact O-N 2.95Å; L152-S155 PolarHBondContact O-OG 3.46Å; L152-S156 WeakPolarHBondContact O-CB 3.49Å; L152-S156 PolarHBondContact O-N 3.41Å; L152-S156 PolarHBondContact O-OG 3.09Å; L152-V175 HydrophobicContact CB-CG1 4.46Å; L152-V175 HydrophobicContact CD2-CB 4.09Å; L152-V175 HydrophobicContact CD2-CG1 3.46Å; L152-V175 VanDerWaalsContact CD2-CG1 3.46Å; L152-V175 HydrophobicContact CG-CG1 3.53Å; L152-L176 HydrophobicContact CD2-CD2 3.74Å; L152-L176 HydrophobicContact CD2-CG 4.03Å; L152-Q179 HydrophobicContact CD1-CG 4.48Å
153	E	96.3	Very high	95.5	Very high	124 Å²	124	52.9 Å²	52.9	58%	0.579	30%	0.301	S	S	*	.	H	α-helix	trans	-53.8	-50.5	175	-73.8	177.7	-177.7	0	0	110.9	D149 S155 S156 A157	D149-E153 WeakPolarHBondContact O-CG 3.46Å; D149-E153 PolarHBondContact O-N 3.43Å; E153-S155 PolarHBondContact O-N 3.45Å; E153-S156 PolarHBondContact O-N 3.47Å; E153-S156 PolarHBondContact O-OG 3.19Å; E153-A157 WeakPolarHBondContact O-CB 3.44Å; E153-A157 PolarHBondContact O-N 3.43Å
154	L	96	Very high	95.2	Very high	18 Å²	18	55.9 Å²	55.9	9%	0.094	33%	0.327	C	S	.	.	H	α-helix	trans	-65.7	-38.9	-179.5	-170.4	62.4	0	0	0	112.4	Y135 I139 E150 L152 G158	Y135-L154 HydrophobicContact CD1-CD1 3.6Å; Y135-L154 HydrophobicContact CD1-CG 3.97Å; Y135-L154 WeakPolarHBondContact CD1-O 3.49Å; Y135-L154 HydrophobicContact CE1-CD1 4.03Å; I139-L154 HydrophobicContact CG1-CB 4.16Å; I139-L154 HydrophobicContact CG1-CD2 3.96Å; I139-L154 HydrophobicContact CG1-CG 4.05Å; E150-L154 WeakPolarHBondContact O-CB 3.41Å; E150-L154 PolarHBondContact O-N 2.87Å; E150-L154 VanDerWaalsContact O-N 3.07Å; L152-L154 VanDerWaalsContact C-N 3.33Å; L152-L154 PolarHBondContact O-N 2.83Å; L154-G158 PolarHBondContact O-N 3.43Å
155	S	95.8	Very high	95.1	Very high	0 Å²	0	54 Å²	54	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-64.8	-42.2	175.7	74.3	0	0	0	0	112.3	A151 L152 E153 G158 L159	A151-S155 WeakPolarHBondContact O-CB 3.5Å; A151-S155 PolarHBondContact O-N 2.78Å; A151-S155 PolarHBondContact O-OG 2.87Å; L152-S155 WeakPolarHBondContact CA-OG 3.36Å; L152-S155 PolarHBondContact O-N 2.95Å; L152-S155 PolarHBondContact O-OG 3.46Å; E153-S155 PolarHBondContact O-N 3.45Å; S155-G158 PolarHBondContact O-N 3.37Å; S155-L159 WeakPolarHBondContact O-CB 3.12Å; S155-L159 WeakPolarHBondContact O-CG 3.4Å; S155-L159 PolarHBondContact O-N 3.39Å
156	S	95.7	Very high	95	Very high	49 Å²	49	55.5 Å²	55.5	34%	0.343	32%	0.324	S	S	.	.	H	α-helix	trans	-67.7	-42.6	178.2	70.7	0	0	0	0	111.6	L152 E153 G158 L159 N160	L152-S156 WeakPolarHBondContact O-CB 3.49Å; L152-S156 PolarHBondContact O-N 3.41Å; L152-S156 PolarHBondContact O-OG 3.09Å; E153-S156 PolarHBondContact O-N 3.47Å; E153-S156 PolarHBondContact O-OG 3.19Å; S156-G158 VanDerWaalsContact C-N 3.32Å; S156-G158 PolarHBondContact O-N 3.01Å; S156-L159 PolarHBondContact O-N 3.22Å; S156-N160 WeakPolarHBondContact O-CB 3.35Å; S156-N160 PolarHBondContact O-N 3.38Å; S156-N160 PolarHBondContact O-ND2 2.93Å
157	A	95.6	Very high	95.1	Very high	41 Å²	41	56.1 Å²	56.1	34%	0.339	32%	0.318	S	S	.	.	H	α-helix	trans	-59.7	-43.5	174.2	0	0	0	0	0	111.4	Y135 E153 N160 V161	Y135-A157 HydrophobicContact CE1-CB 4.31Å; E153-A157 WeakPolarHBondContact O-CB 3.44Å; E153-A157 PolarHBondContact O-N 3.43Å; A157-N160 PolarHBondContact O-N 3.32Å; A157-V161 PolarHBondContact O-N 2.98Å
158	G	95.6	Very high	95.1	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-64.4	-44.7	176.6	0	0	0	0	0	113	L154 S155 S156 N160 V161 L162 L168	L154-G158 PolarHBondContact O-N 3.43Å; S155-G158 PolarHBondContact O-N 3.37Å; S156-G158 VanDerWaalsContact C-N 3.32Å; S156-G158 PolarHBondContact O-N 3.01Å; G158-N160 VanDerWaalsContact C-N 3.32Å; G158-N160 PolarHBondContact O-N 2.95Å; G158-V161 PolarHBondContact O-N 3.07Å; G158-L162 PolarHBondContact O-N 3.32Å; G158-L168 VanDerWaalsContact C-CD1 3.48Å
159	L	95.7	Very high	95.2	Very high	20 Å²	20	56.1 Å²	56.1	11%	0.105	32%	0.322	C	S	.	.	H	α-helix	trans	-70	-26.4	177.9	-72.6	167.5	0	0	0	113.2	S155 S156 V161 L162 P163 L168 L169 Q172	S155-L159 WeakPolarHBondContact O-CB 3.12Å; S155-L159 WeakPolarHBondContact O-CG 3.4Å; S155-L159 PolarHBondContact O-N 3.39Å; S156-L159 PolarHBondContact O-N 3.22Å; L159-V161 VanDerWaalsContact C-N 3.3Å; L159-L162 CarbonylContact O-C 3.45Å; L159-P163 WeakPolarHBondContact O-CA 3.22Å; L159-P163 WeakPolarHBondContact O-CD 3.23Å; L159-P163 VanDerWaalsContact O-CG 3.28Å; L159-P163 WeakPolarHBondContact O-CG 3.44Å; L159-L168 HydrophobicContact CD2-CB 3.77Å; L159-L168 HydrophobicContact CG-CB 4.02Å; L159-L169 HydrophobicContact CD1-CD2 4.17Å; L159-L169 HydrophobicContact CD2-CD2 3.71Å; L159-L169 HydrophobicContact CD2-CG 3.91Å; L159-Q172 HydrophobicContact CD1-CB 4.13Å; L159-Q172 HydrophobicContact CD1-CG 4.27Å
160	N	95.7	Very high	95.2	Very high	133 Å²	133	56.1 Å²	56.1	71%	0.711	32%	0.318	S	S	*	.	H	α-helix	trans	-66.3	-34.3	172.4	-73.7	-22.1	0	0	0	111.9	S156 A157 G158	S156-N160 WeakPolarHBondContact O-CB 3.35Å; S156-N160 PolarHBondContact O-N 3.38Å; S156-N160 PolarHBondContact O-ND2 2.93Å; A157-N160 PolarHBondContact O-N 3.32Å; G158-N160 VanDerWaalsContact C-N 3.32Å; G158-N160 PolarHBondContact O-N 2.95Å
161	V	95	Very high	95.2	Very high	69 Å²	69	54.4 Å²	54.4	42%	0.418	31%	0.31	S	S	.	.	H	α-helix	trans	-83.5	-38.6	175.8	-174.3	0	0	0	0	111	P129 A157 G158 L159	P129-V161 HydrophobicContact CB-CG1 4.43Å; P129-V161 HydrophobicContact CB-CG2 4.29Å; P129-V161 WeakPolarHBondContact O-CG1 3.34Å; A157-V161 PolarHBondContact O-N 2.98Å; G158-V161 PolarHBondContact O-N 3.07Å; L159-V161 VanDerWaalsContact C-N 3.3Å
162	L	93.8	Very high	95.2	Very high	47 Å²	47	57 Å²	57	25%	0.246	32%	0.322	C	S	.	.			trans	-131.9	75.6	-174.1	-60.5	171.4	0	0	0	111.3	D130 I132 G158 L159 S164 S165	D130-L162 WeakPolarHBondContact O-CD1 3.35Å; I132-L162 HydrophobicContact CD1-CD1 3.83Å; I132-L162 HydrophobicContact CG1-CD1 3.23Å; G158-L162 PolarHBondContact O-N 3.32Å; L159-L162 CarbonylContact O-C 3.45Å; L162-S164 PolarHBondContact O-N 3.33Å; L162-S164 VanDerWaalsContact O-N 3.13Å; L162-S165 PolarHBondContact O-N 2.89Å; L162-S165 PolarHBondContact O-OG 3.22Å
163	P	92.2	Very high	95.2	Very high	88 Å²	88	61.2 Å²	61.2	57%	0.571	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-24.9	-174.4	-23.2	32.3	0	0	0	114.6	L159	L159-P163 WeakPolarHBondContact O-CA 3.22Å; L159-P163 WeakPolarHBondContact O-CD 3.23Å; L159-P163 VanDerWaalsContact O-CG 3.28Å; L159-P163 WeakPolarHBondContact O-CG 3.44Å
164	S	91.8	Very high	95.2	Very high	112 Å²	112	59.9 Å²	59.9	78%	0.783	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	10.5	-173.1	-51.4	0	0	0	0	114.2	L162 P166	L162-S164 PolarHBondContact O-N 3.33Å; L162-S164 VanDerWaalsContact O-N 3.13Å; S164-P166 WeakPolarHBondContact O-CD 3.36Å
165	S	93.6	Very high	95.2	Very high	9 Å²	9	59 Å²	59	6%	0.063	33%	0.328	C	S	.	.			trans	-78.4	116.2	179.3	60.4	0	0	0	0	111.4	L162 E167 L168 L169	L162-S165 PolarHBondContact O-N 2.89Å; L162-S165 PolarHBondContact O-OG 3.22Å; S165-E167 VanDerWaalsContact C-N 3.28Å; S165-E167 PolarHBondContact O-N 2.89Å; S165-L168 PolarHBondContact O-N 3.44Å; S165-L168 VanDerWaalsContact OG-CB 3.25Å; S165-L168 WeakPolarHBondContact OG-CB 3.49Å; S165-L168 VanDerWaalsContact OG-CD1 3.25Å; S165-L168 WeakPolarHBondContact OG-CD1 3.46Å; S165-L168 WeakPolarHBondContact OG-CG 3.36Å; S165-L169 PolarHBondContact O-N 3.06Å
166	P	94.7	Very high	95.3	Very high	89 Å²	89	62.7 Å²	62.7	58%	0.578	35%	0.348	S	S	*	.	H	α-helix	trans	-63.4	-33.2	-179.3	24.9	-32.9	0	0	0	112.7	S164 L168 L169 E170	S164-P166 WeakPolarHBondContact O-CD 3.36Å; P166-L168 PolarHBondContact O-N 3.44Å; P166-L169 PolarHBondContact O-N 3.31Å; P166-E170 PolarHBondContact O-N 3.22Å
167	E	94.6	Very high	95.3	Very high	95 Å²	95	66.1 Å²	66.1	44%	0.444	36%	0.356	S	S	.	.	H	α-helix	trans	-65.2	-40.9	-179.8	-58.3	89.6	158.7	0	0	112	I132 V136 S165 M171	I132-E167 HydrophobicContact CG2-CB 4.38Å; V136-E167 HydrophobicContact CG2-CB 4.03Å; S165-E167 VanDerWaalsContact C-N 3.28Å; S165-E167 PolarHBondContact O-N 2.89Å; E167-M171 WeakPolarHBondContact O-CB 3.39Å; E167-M171 VanDerWaalsContact O-CG 3.23Å; E167-M171 WeakPolarHBondContact O-CG 3.42Å; E167-M171 PolarHBondContact O-N 3.04Å
168	L	95.4	Very high	95.3	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-72.5	-35.7	177.7	-59.8	-177.4	0	0	0	112.1	I132 Y135 V136 I139 G158 L159 S165 P166 M171 Q172	I132-L168 HydrophobicContact CG2-CD2 4.25Å; I132-L168 HydrophobicContact CG2-CG 4.22Å; Y135-L168 HydrophobicContact CG-CD2 4.49Å; V136-L168 HydrophobicContact CG2-CD2 3.8Å; I139-L168 HydrophobicContact CD1-CD2 4.24Å; G158-L168 VanDerWaalsContact C-CD1 3.48Å; L159-L168 HydrophobicContact CD2-CB 3.77Å; L159-L168 HydrophobicContact CG-CB 4.02Å; S165-L168 PolarHBondContact O-N 3.44Å; S165-L168 VanDerWaalsContact OG-CB 3.25Å; S165-L168 WeakPolarHBondContact OG-CB 3.49Å; S165-L168 VanDerWaalsContact OG-CD1 3.25Å; S165-L168 WeakPolarHBondContact OG-CD1 3.46Å; S165-L168 WeakPolarHBondContact OG-CG 3.36Å; P166-L168 PolarHBondContact O-N 3.44Å; L168-M171 PolarHBondContact O-N 2.97Å; L168-Q172 WeakPolarHBondContact O-CB 3.44Å; L168-Q172 PolarHBondContact O-N 3.48Å
169	L	95.9	Very high	95.3	Very high	83 Å²	83	68.9 Å²	68.9	44%	0.435	36%	0.361	S	S	.	.	H	α-helix	trans	-62.9	-43.5	174.5	-70.2	172.2	0	0	0	111.1	L159 S165 P166 Q172 H173	L159-L169 HydrophobicContact CD1-CD2 4.17Å; L159-L169 HydrophobicContact CD2-CD2 3.71Å; L159-L169 HydrophobicContact CD2-CG 3.91Å; S165-L169 PolarHBondContact O-N 3.06Å; P166-L169 PolarHBondContact O-N 3.31Å; L169-Q172 PolarHBondContact O-N 3.47Å; L169-H173 PolarHBondContact O-N 3.27Å
170	E	96.4	Very high	95.3	Very high	110 Å²	110	73.2 Å²	73.2	51%	0.514	38%	0.382	S	S	.	.	H	α-helix	trans	-62.1	-45.2	175.1	-169.5	-168	156.2	0	0	111.5	P166 H173 K174	P166-E170 PolarHBondContact O-N 3.22Å; E170-H173 PolarHBondContact O-N 3.43Å; E170-K174 WeakPolarHBondContact O-CG 3.42Å; E170-K174 PolarHBondContact O-N 3.27Å; E170-K174 WeakPolarHBondContact OE1-CE 3.36Å; E170-K174 IonicContact OE1-NZ 3.8Å; E170-K174 PolarHBondContact OE1-NZ 3.25Å
171	M	96.3	Very high	95.3	Very high	14 Å²	14	70.5 Å²	70.5	7%	0.069	37%	0.365	C	S	.	.	H	α-helix	trans	-63.8	-42.5	177.5	-71.4	-57.1	-63.4	0	0	112	V136 I139 E140 E167 L168 H173 K174 V175	V136-M171 HydrophobicContact CG1-CG 4.17Å; V136-M171 HydrophobicContact CG1-SD 4.42Å; V136-M171 HydrophobicContact CG2-CG 4.41Å; I139-M171 HydrophobicContact CB-CE 3.84Å; I139-M171 HydrophobicContact CD1-CB 4.05Å; I139-M171 HydrophobicContact CG2-CB 4.2Å; I139-M171 HydrophobicContact CG2-CE 3.47Å; I139-M171 VanDerWaalsContact CG2-CE 3.47Å; E140-M171 HydrophobicContact CB-CE 4.39Å; E140-M171 HydrophobicContact CG-CE 3.51Å; E140-M171 HydrophobicContact CG-SD 4.32Å; E167-M171 WeakPolarHBondContact O-CB 3.39Å; E167-M171 VanDerWaalsContact O-CG 3.23Å; E167-M171 WeakPolarHBondContact O-CG 3.42Å; E167-M171 PolarHBondContact O-N 3.04Å; L168-M171 PolarHBondContact O-N 2.97Å; M171-H173 VanDerWaalsContact C-N 3.32Å; M171-H173 PolarHBondContact O-N 3.45Å; M171-K174 WeakPolarHBondContact O-CB 3.46Å; M171-K174 PolarHBondContact O-N 3.02Å; M171-K174 HydrophobicContact SD-CD 4.21Å; M171-V175 WeakPolarHBondContact O-CG2 3.44Å; M171-V175 PolarHBondContact O-N 2.93Å
172	Q	95.9	Very high	95.2	Very high	54 Å²	54	69.6 Å²	69.6	25%	0.252	36%	0.358	S	S	.	.	H	α-helix	trans	-61	-42.2	175.9	-172.7	-178.6	51	0	0	111.2	L159 L168 L169 K174 V175 L176	L159-Q172 HydrophobicContact CD1-CB 4.13Å; L159-Q172 HydrophobicContact CD1-CG 4.27Å; L168-Q172 WeakPolarHBondContact O-CB 3.44Å; L168-Q172 PolarHBondContact O-N 3.48Å; L169-Q172 PolarHBondContact O-N 3.47Å; Q172-K174 PolarHBondContact O-N 2.89Å; Q172-V175 PolarHBondContact O-N 3.36Å; Q172-L176 HydrophobicContact CG-CD1 4.01Å; Q172-L176 HydrophobicContact CG-CG 4.36Å; Q172-L176 WeakPolarHBondContact O-CB 3.36Å; Q172-L176 WeakPolarHBondContact O-CG 3.35Å; Q172-L176 PolarHBondContact O-N 3.2Å
173	H	96.2	Very high	95.1	Very high	131 Å²	131	71.2 Å²	71.2	61%	0.606	37%	0.367	S	S	*	.	H	α-helix	trans	-60	-44.4	175.2	-178.3	73.9	0	0	0	112	L169 E170 M171 V175 L176 K177	L169-H173 PolarHBondContact O-N 3.27Å; E170-H173 PolarHBondContact O-N 3.43Å; M171-H173 VanDerWaalsContact C-N 3.32Å; M171-H173 PolarHBondContact O-N 3.45Å; H173-V175 VanDerWaalsContact C-N 3.31Å; H173-V175 PolarHBondContact O-N 2.9Å; H173-L176 PolarHBondContact O-N 3.47Å; H173-K177 WeakPolarHBondContact O-CB 3.33Å; H173-K177 PolarHBondContact O-N 3.01Å
174	K	96.8	Very high	95.2	Very high	96 Å²	96	72.7 Å²	72.7	42%	0.417	36%	0.364	S	S	.	.	H	α-helix	trans	-60.5	-40.7	175.7	-70.9	173.3	-175	165	0	112	E170 M171 Q172 K178	E170-K174 WeakPolarHBondContact O-CG 3.42Å; E170-K174 PolarHBondContact O-N 3.27Å; E170-K174 WeakPolarHBondContact OE1-CE 3.36Å; E170-K174 IonicContact OE1-NZ 3.8Å; E170-K174 PolarHBondContact OE1-NZ 3.25Å; M171-K174 WeakPolarHBondContact O-CB 3.46Å; M171-K174 PolarHBondContact O-N 3.02Å; M171-K174 HydrophobicContact SD-CD 4.21Å; Q172-K174 PolarHBondContact O-N 2.89Å; K174-K178 PolarHBondContact O-N 3.1Å
175	V	97.2	Very high	95.2	Very high	0 Å²	0	72.8 Å²	72.8	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-68.5	-47.8	179.5	-176.5	0	0	0	0	110.9	I139 M143 V148 A151 L152 M171 Q172 H173 K177 K178 Q179	I139-V175 HydrophobicContact CG2-CG2 3.46Å; I139-V175 VanDerWaalsContact CG2-CG2 3.46Å; M143-V175 HydrophobicContact CE-CG2 4.46Å; M143-V175 HydrophobicContact CG-CG2 4.02Å; M143-V175 HydrophobicContact SD-CB 4.03Å; M143-V175 HydrophobicContact SD-CG1 3.98Å; M143-V175 HydrophobicContact SD-CG2 3.66Å; V148-V175 HydrophobicContact CG1-CG1 3.73Å; A151-V175 HydrophobicContact CB-CG1 3.74Å; A151-V175 HydrophobicContact CB-CG2 4.03Å; L152-V175 HydrophobicContact CB-CG1 4.46Å; L152-V175 HydrophobicContact CD2-CB 4.09Å; L152-V175 HydrophobicContact CD2-CG1 3.46Å; L152-V175 VanDerWaalsContact CD2-CG1 3.46Å; L152-V175 HydrophobicContact CG-CG1 3.53Å; M171-V175 WeakPolarHBondContact O-CG2 3.44Å; M171-V175 PolarHBondContact O-N 2.93Å; Q172-V175 PolarHBondContact O-N 3.36Å; H173-V175 VanDerWaalsContact C-N 3.31Å; H173-V175 PolarHBondContact O-N 2.9Å; V175-K177 VanDerWaalsContact C-N 3.33Å; V175-K177 PolarHBondContact O-N 3.36Å; V175-K178 WeakPolarHBondContact O-CB 3.38Å; V175-K178 PolarHBondContact O-N 3Å; V175-K178 VanDerWaalsContact O-N 3.09Å; V175-Q179 PolarHBondContact O-N 3.13Å
176	L	97.1	Very high	95	Very high	77 Å²	77	77.1 Å²	77.1	40%	0.403	38%	0.378	S	S	.	.	H	α-helix	trans	-60.7	-41.2	177.6	-74.2	170.6	0	0	0	112.1	L152 Q172 H173 K178 Q179 M180	L152-L176 HydrophobicContact CD2-CD2 3.74Å; L152-L176 HydrophobicContact CD2-CG 4.03Å; Q172-L176 HydrophobicContact CG-CD1 4.01Å; Q172-L176 HydrophobicContact CG-CG 4.36Å; Q172-L176 WeakPolarHBondContact O-CB 3.36Å; Q172-L176 WeakPolarHBondContact O-CG 3.35Å; Q172-L176 PolarHBondContact O-N 3.2Å; H173-L176 PolarHBondContact O-N 3.47Å; L176-K178 VanDerWaalsContact C-N 3.29Å; L176-K178 PolarHBondContact O-N 3.31Å; L176-Q179 WeakPolarHBondContact O-CB 3.47Å; L176-Q179 PolarHBondContact O-N 3.02Å; L176-M180 WeakPolarHBondContact O-CG 3.46Å; L176-M180 PolarHBondContact O-N 3.01Å
177	K	96.5	Very high	94.9	Very high	120 Å²	120	77.5 Å²	77.5	52%	0.522	37%	0.372	S	S	.	.	H	α-helix	trans	-57.8	-44.6	173.7	-177.7	179.8	175.8	-177.3	0	111.2	H173 V175 M180 E181	H173-K177 WeakPolarHBondContact O-CB 3.33Å; H173-K177 PolarHBondContact O-N 3.01Å; V175-K177 VanDerWaalsContact C-N 3.33Å; V175-K177 PolarHBondContact O-N 3.36Å; K177-M180 PolarHBondContact O-N 3.15Å; K177-E181 VanDerWaalsContact CE-OE1 3.28Å; K177-E181 WeakPolarHBondContact CE-OE1 3.32Å; K177-E181 WeakPolarHBondContact O-CG 3.28Å; K177-E181 PolarHBondContact O-N 3.36Å
178	K	95.3	Very high	94.7	Very high	63 Å²	63	79.3 Å²	79.3	27%	0.274	38%	0.381	S	S	.	.	H	α-helix	trans	-66.5	-37.1	178.1	-173.7	59.9	179	170.1	0	112.4	M143 V148 K174 V175 L176 E181 L182	M143-K178 HydrophobicContact CE-CB 3.63Å; M143-K178 HydrophobicContact CE-CG 3.98Å; M143-K178 HydrophobicContact SD-CB 4.46Å; V148-K178 HydrophobicContact CG2-CG 3.92Å; K174-K178 PolarHBondContact O-N 3.1Å; V175-K178 WeakPolarHBondContact O-CB 3.38Å; V175-K178 PolarHBondContact O-N 3Å; V175-K178 VanDerWaalsContact O-N 3.09Å; L176-K178 VanDerWaalsContact C-N 3.29Å; L176-K178 PolarHBondContact O-N 3.31Å; K178-E181 IonicContact NZ-OE2 3.35Å; K178-E181 PolarHBondContact O-N 3.13Å; K178-L182 WeakPolarHBondContact O-CG 3.47Å; K178-L182 PolarHBondContact O-N 3.26Å; K178-L182 VanDerWaalsContact O-N 3.08Å
179	Q	95.7	Very high	94.2	Very high	36 Å²	36	87.8 Å²	87.8	17%	0.168	41%	0.412	C	S	.	.	H	α-helix	trans	-60.2	-49.1	173.2	-173.6	59.3	46.2	0	0	111	V148 L152 V175 L176 E181 L182 D183	V148-Q179 HydrophobicContact CG1-CB 3.81Å; V148-Q179 HydrophobicContact CG1-CG 4.48Å; L152-Q179 HydrophobicContact CD1-CG 4.48Å; V175-Q179 PolarHBondContact O-N 3.13Å; L176-Q179 WeakPolarHBondContact O-CB 3.47Å; L176-Q179 PolarHBondContact O-N 3.02Å; Q179-E181 VanDerWaalsContact C-N 3.27Å; Q179-E181 PolarHBondContact O-N 3.38Å; Q179-L182 PolarHBondContact O-N 3.27Å; Q179-L182 VanDerWaalsContact O-N 3.11Å; Q179-D183 PolarHBondContact NE2-OD1 3.35Å; Q179-D183 PolarHBondContact NE2-OD2 3.45Å; Q179-D183 VanDerWaalsContact O-CG 3.27Å; Q179-D183 PolarHBondContact O-N 2.81Å
180	M	95.8	Very high	93.7	Very high	112 Å²	112	86.9 Å²	86.9	55%	0.552	41%	0.413	S	S	*	.	H	α-helix	trans	-61.8	-34.5	178.7	-67.7	179.1	71.5	0	0	113	L176 K177 K184	L176-M180 WeakPolarHBondContact O-CG 3.46Å; L176-M180 PolarHBondContact O-N 3.01Å; K177-M180 PolarHBondContact O-N 3.15Å; M180-K184 WeakPolarHBondContact O-CB 3.42Å; M180-K184 VanDerWaalsContact O-CG 3.22Å; M180-K184 WeakPolarHBondContact O-CG 3.35Å; M180-K184 PolarHBondContact O-N 3.33Å; M180-K184 VanDerWaalsContact O-N 3.15Å
181	E	94.1	Very high	93.2	Very high	75 Å²	75	87.5 Å²	87.5	35%	0.35	41%	0.414	S	S	.	.	H	α-helix	trans	-64	-47.1	173.2	-72.8	168.4	-173.6	0	0	111	K177 K178 Q179 K184 E185	K177-E181 VanDerWaalsContact CE-OE1 3.28Å; K177-E181 WeakPolarHBondContact CE-OE1 3.32Å; K177-E181 WeakPolarHBondContact O-CG 3.28Å; K177-E181 PolarHBondContact O-N 3.36Å; K178-E181 IonicContact NZ-OE2 3.35Å; K178-E181 PolarHBondContact O-N 3.13Å; Q179-E181 VanDerWaalsContact C-N 3.27Å; Q179-E181 PolarHBondContact O-N 3.38Å; E181-K184 PolarHBondContact O-N 2.97Å; E181-E185 WeakPolarHBondContact O-CG 3.4Å; E181-E185 PolarHBondContact O-N 3.21Å; E181-E185 VanDerWaalsContact O-N 3.09Å
182	L	92.8	Very high	92.4	Very high	50 Å²	50	91.1 Å²	91.1	26%	0.262	43%	0.434	S	S	.	.	H	α-helix	trans	-64.2	-43.3	177.5	-70.9	170.7	0	0	0	112.5	V148 K178 Q179 K184 E185 V186	V148-L182 HydrophobicContact CB-CD1 4.37Å; V148-L182 HydrophobicContact CG2-CD1 3.53Å; K178-L182 WeakPolarHBondContact O-CG 3.47Å; K178-L182 PolarHBondContact O-N 3.26Å; K178-L182 VanDerWaalsContact O-N 3.08Å; Q179-L182 PolarHBondContact O-N 3.27Å; Q179-L182 VanDerWaalsContact O-N 3.11Å; L182-K184 VanDerWaalsContact C-N 3.3Å; L182-K184 PolarHBondContact O-N 3.4Å; L182-E185 WeakPolarHBondContact O-CB 3.47Å; L182-E185 PolarHBondContact O-N 3.03Å; L182-V186 WeakPolarHBondContact O-CG2 3.46Å; L182-V186 PolarHBondContact O-N 3.06Å
183	D	93.2	Very high	91.5	Very high	82 Å²	82	92.1 Å²	92.1	44%	0.439	44%	0.44	S	S	.	.	H	α-helix	trans	-62.4	-39.7	179.2	-67.7	-22.4	0	0	0	111.2	Q179 V186 E187	Q179-D183 PolarHBondContact NE2-OD1 3.35Å; Q179-D183 PolarHBondContact NE2-OD2 3.45Å; Q179-D183 VanDerWaalsContact O-CG 3.27Å; Q179-D183 PolarHBondContact O-N 2.81Å; D183-V186 PolarHBondContact O-N 2.84Å; D183-E187 WeakPolarHBondContact O-CB 3.2Å; D183-E187 PolarHBondContact O-N 2.81Å
184	K	94.3	Very high	90.7	Very high	119 Å²	119	88.8 Å²	88.8	52%	0.517	43%	0.431	S	S	.	.	H	α-helix	trans	-64.3	-41.7	174.5	-76.4	173.9	-178.1	-179.4	0	112.2	M180 E181 L182 V186 E187 Q188	M180-K184 WeakPolarHBondContact O-CB 3.42Å; M180-K184 VanDerWaalsContact O-CG 3.22Å; M180-K184 WeakPolarHBondContact O-CG 3.35Å; M180-K184 PolarHBondContact O-N 3.33Å; M180-K184 VanDerWaalsContact O-N 3.15Å; E181-K184 PolarHBondContact O-N 2.97Å; L182-K184 VanDerWaalsContact C-N 3.3Å; L182-K184 PolarHBondContact O-N 3.4Å; K184-V186 VanDerWaalsContact C-N 3.35Å; K184-E187 PolarHBondContact O-N 3Å; K184-Q188 WeakPolarHBondContact O-CB 3.42Å; K184-Q188 VanDerWaalsContact O-CG 3.23Å; K184-Q188 WeakPolarHBondContact O-CG 3.35Å; K184-Q188 PolarHBondContact O-N 3.13Å
185	E	90.9	Very high	89.9	Confident	114 Å²	114	92.2 Å²	92.2	53%	0.533	44%	0.442	S	S	.	.	H	α-helix	trans	-62.2	-43.6	176	-72.9	173.6	-167.8	0	0	111.2	E181 L182 Q188 R189	E181-E185 WeakPolarHBondContact O-CG 3.4Å; E181-E185 PolarHBondContact O-N 3.21Å; E181-E185 VanDerWaalsContact O-N 3.09Å; L182-E185 WeakPolarHBondContact O-CB 3.47Å; L182-E185 PolarHBondContact O-N 3.03Å; E185-Q188 PolarHBondContact O-N 3.34Å; E185-R189 WeakPolarHBondContact O-CB 3.4Å; E185-R189 PolarHBondContact O-N 3.09Å
186	V	90.7	Very high	88.9	Confident	99 Å²	99	98 Å²	98	60%	0.6	47%	0.467	S	S	*	.	H	α-helix	trans	-63.7	-44.5	176.2	172.6	0	0	0	0	111.2	L182 D183 K184 R189 S190	L182-V186 WeakPolarHBondContact O-CG2 3.46Å; L182-V186 PolarHBondContact O-N 3.06Å; D183-V186 PolarHBondContact O-N 2.84Å; K184-V186 VanDerWaalsContact C-N 3.35Å; V186-R189 PolarHBondContact O-N 3.24Å; V186-S190 WeakPolarHBondContact O-CB 3.41Å; V186-S190 PolarHBondContact O-N 3.1Å
187	E	91.2	Very high	87.8	Confident	97 Å²	97	98.5 Å²	98.5	45%	0.453	47%	0.467	S	S	.	.	H	α-helix	trans	-63.5	-44.9	177.9	-171.3	-170.1	171.5	0	0	111.7	D183 K184 R189 S190 K191	D183-E187 WeakPolarHBondContact O-CB 3.2Å; D183-E187 PolarHBondContact O-N 2.81Å; K184-E187 PolarHBondContact O-N 3Å; E187-R189 VanDerWaalsContact C-N 3.32Å; E187-R189 PolarHBondContact O-N 2.93Å; E187-S190 PolarHBondContact O-N 3.44Å; E187-K191 HydrophobicContact CG-CD 4.44Å; E187-K191 WeakPolarHBondContact O-CG 3.29Å; E187-K191 PolarHBondContact O-N 3.1Å; E187-K191 WeakPolarHBondContact OE1-CE 3.21Å; E187-K191 IonicContact OE1-NZ 3.37Å; E187-K191 PolarHBondContact OE1-NZ 2.82Å
188	Q	90.4	Very high	86.9	Confident	134 Å²	134	97.8 Å²	97.8	63%	0.626	47%	0.469	S	S	*	.	H	α-helix	trans	-61.4	-42.6	176.4	-75.4	176.9	8.1	0	0	111.5	K184 E185 K191 L192	K184-Q188 WeakPolarHBondContact O-CB 3.42Å; K184-Q188 VanDerWaalsContact O-CG 3.23Å; K184-Q188 WeakPolarHBondContact O-CG 3.35Å; K184-Q188 PolarHBondContact O-N 3.13Å; E185-Q188 PolarHBondContact O-N 3.34Å; Q188-K191 PolarHBondContact O-N 3.04Å; Q188-L192 WeakPolarHBondContact O-CB 3.37Å; Q188-L192 PolarHBondContact O-N 3.05Å
189	R	85.8	Confident	86	Confident	177 Å²	177	98.7 Å²	98.7	67%	0.668	48%	0.477	S	S	*	.	H	α-helix	trans	-61.8	-46	175.4	-174	178.1	178.7	-164.1	1.8	111.5	E185 V186 E187 K191 L192 D193	E185-R189 WeakPolarHBondContact O-CB 3.4Å; E185-R189 PolarHBondContact O-N 3.09Å; V186-R189 PolarHBondContact O-N 3.24Å; E187-R189 VanDerWaalsContact C-N 3.32Å; E187-R189 PolarHBondContact O-N 2.93Å; R189-K191 PolarHBondContact O-N 2.89Å; R189-L192 WeakPolarHBondContact O-CB 3.44Å; R189-L192 PolarHBondContact O-N 2.95Å; R189-D193 WeakPolarHBondContact O-CB 3.46Å; R189-D193 VanDerWaalsContact O-CG 3.25Å; R189-D193 PolarHBondContact O-N 3.29Å
190	S	85.1	Confident	85.1	Confident	65 Å²	65	98.7 Å²	98.7	46%	0.455	48%	0.477	S	S	.	.	H	α-helix	trans	-61.6	-43.1	177.3	174.7	0	0	0	0	112.4	V186 E187 L192 D193 C194	V186-S190 WeakPolarHBondContact O-CB 3.41Å; V186-S190 PolarHBondContact O-N 3.1Å; E187-S190 PolarHBondContact O-N 3.44Å; S190-L192 VanDerWaalsContact C-N 3.34Å; S190-L192 PolarHBondContact O-N 3.42Å; S190-D193 PolarHBondContact O-N 3.03Å; S190-C194 WeakPolarHBondContact O-CB 3.36Å; S190-C194 PolarHBondContact O-N 3.39Å; S190-C194 PolarHBondContact O-SG 3.28Å; S190-C194 VanDerWaalsContact O-SG 3.41Å
191	K	87	Confident	84.4	Confident	122 Å²	122	96.2 Å²	96.2	53%	0.53	47%	0.466	S	S	.	.	H	α-helix	trans	-61.6	-41.2	175.2	-73.8	174.9	-177.3	169.2	0	112.2	E187 Q188 R189 R195	E187-K191 HydrophobicContact CG-CD 4.44Å; E187-K191 WeakPolarHBondContact O-CG 3.29Å; E187-K191 PolarHBondContact O-N 3.1Å; E187-K191 WeakPolarHBondContact OE1-CE 3.21Å; E187-K191 IonicContact OE1-NZ 3.37Å; E187-K191 PolarHBondContact OE1-NZ 2.82Å; Q188-K191 PolarHBondContact O-N 3.04Å; R189-K191 PolarHBondContact O-N 2.89Å; K191-R195 WeakPolarHBondContact O-CB 3.28Å; K191-R195 PolarHBondContact O-N 2.9Å
192	L	78.4	Confident	83.9	Confident	91 Å²	91	95.3 Å²	95.3	48%	0.476	47%	0.472	S	S	.	.	H	α-helix	trans	-64.1	-43.9	176.2	-177.3	66.2	0	0	0	111.2	Q188 R189 S190 R195 K196	Q188-L192 WeakPolarHBondContact O-CB 3.37Å; Q188-L192 PolarHBondContact O-N 3.05Å; R189-L192 WeakPolarHBondContact O-CB 3.44Å; R189-L192 PolarHBondContact O-N 2.95Å; S190-L192 VanDerWaalsContact C-N 3.34Å; S190-L192 PolarHBondContact O-N 3.42Å; L192-R195 PolarHBondContact O-N 3.2Å; L192-K196 HydrophobicContact CG-CD 4.46Å; L192-K196 WeakPolarHBondContact O-CG 3.43Å; L192-K196 PolarHBondContact O-N 3.18Å
193	D	76.7	Confident	83.6	Confident	74 Å²	74	95.9 Å²	95.9	40%	0.396	47%	0.473	S	S	.	.	H	α-helix	trans	-65.4	-43.2	178.6	-68	-20.8	0	0	0	111.3	R189 S190 R195 K196 E197	R189-D193 WeakPolarHBondContact O-CB 3.46Å; R189-D193 VanDerWaalsContact O-CG 3.25Å; R189-D193 PolarHBondContact O-N 3.29Å; S190-D193 PolarHBondContact O-N 3.03Å; D193-R195 VanDerWaalsContact C-N 3.35Å; D193-R195 PolarHBondContact O-N 3.46Å; D193-K196 PolarHBondContact O-N 3.27Å; D193-E197 WeakPolarHBondContact O-CB 3.4Å; D193-E197 PolarHBondContact O-N 3.42Å
194	C	79.3	Confident	83.3	Confident	61 Å²	61	92 Å²	92	41%	0.412	45%	0.452	S	S	.	.	H	α-helix	trans	-62.2	-39.1	173.7	-73.8	0	0	0	0	112.7	S190 E197 N198	S190-C194 WeakPolarHBondContact O-CB 3.36Å; S190-C194 PolarHBondContact O-N 3.39Å; S190-C194 PolarHBondContact O-SG 3.28Å; S190-C194 VanDerWaalsContact O-SG 3.41Å; C194-E197 PolarHBondContact O-N 3.21Å; C194-N198 WeakPolarHBondContact O-CB 3.49Å; C194-N198 VanDerWaalsContact O-CG 3.29Å; C194-N198 PolarHBondContact O-N 3.24Å; C194-N198 PolarHBondContact O-ND2 2.69Å
195	R	79.5	Confident	83	Confident	169 Å²	169	91.5 Å²	91.5	64%	0.638	45%	0.452	S	S	*	.	H	α-helix	trans	-64.6	-48	176.2	-177.9	177.1	176.4	176.8	1.2	111	K191 L192 D193 E197 N198 D199	K191-R195 WeakPolarHBondContact O-CB 3.28Å; K191-R195 PolarHBondContact O-N 2.9Å; L192-R195 PolarHBondContact O-N 3.2Å; D193-R195 VanDerWaalsContact C-N 3.35Å; D193-R195 PolarHBondContact O-N 3.46Å; R195-E197 PolarHBondContact O-N 2.9Å; R195-N198 PolarHBondContact O-N 3.31Å; R195-D199 IonicContact NE-OD2 3.84Å; R195-D199 WeakPolarHBondContact O-CB 3.16Å; R195-D199 VanDerWaalsContact O-CG 3.26Å; R195-D199 PolarHBondContact O-N 3.32Å
196	K	76.3	Confident	82.9	Confident	122 Å²	122	89.5 Å²	89.5	53%	0.53	44%	0.444	S	S	.	.	H	α-helix	trans	-57.2	-40.7	174.9	-72.9	175.2	178.4	179	0	111.6	L192 D193 M200	L192-K196 HydrophobicContact CG-CD 4.46Å; L192-K196 WeakPolarHBondContact O-CG 3.43Å; L192-K196 PolarHBondContact O-N 3.18Å; D193-K196 PolarHBondContact O-N 3.27Å; K196-M200 WeakPolarHBondContact O-CB 3.07Å; K196-M200 PolarHBondContact O-N 2.82Å
197	E	75.2	Confident	83	Confident	86 Å²	86	84.8 Å²	84.8	40%	0.402	42%	0.415	S	S	.	.	H	α-helix	trans	-66.7	-41	177.3	-176	164.7	-145.4	0	0	112.7	D193 C194 R195 N201 R329	D193-E197 WeakPolarHBondContact O-CB 3.4Å; D193-E197 PolarHBondContact O-N 3.42Å; C194-E197 PolarHBondContact O-N 3.21Å; R195-E197 PolarHBondContact O-N 2.9Å; E197-N201 WeakPolarHBondContact O-CB 3.47Å; E197-N201 PolarHBondContact O-N 3.47Å; E197-N201 PolarHBondContact O-ND2 2.82Å; E197-R329 IonicContact OE1-NH2 2.67Å
198	N	77.3	Confident	82.9	Confident	105 Å²	105	85.5 Å²	85.5	56%	0.561	41%	0.414	S	S	*	.	H	α-helix	trans	-65.9	-45.1	175.3	-73.3	-22.7	0	0	0	112.5	C194 R195 M200 N201 A202	C194-N198 WeakPolarHBondContact O-CB 3.49Å; C194-N198 VanDerWaalsContact O-CG 3.29Å; C194-N198 PolarHBondContact O-N 3.24Å; C194-N198 PolarHBondContact O-ND2 2.69Å; R195-N198 PolarHBondContact O-N 3.31Å; N198-M200 VanDerWaalsContact C-N 3.33Å; N198-M200 PolarHBondContact O-N 2.94Å; N198-N201 PolarHBondContact O-N 2.76Å; N198-A202 PolarHBondContact O-N 2.86Å
199	D	76.5	Confident	82.9	Confident	83 Å²	83	83.8 Å²	83.8	44%	0.444	42%	0.417	S	S	.	.	H	α-helix	trans	-60.2	-46.1	177.1	-67.4	-19	0	0	0	109.9	R195 N201 A202 E203	R195-D199 IonicContact NE-OD2 3.84Å; R195-D199 WeakPolarHBondContact O-CB 3.16Å; R195-D199 VanDerWaalsContact O-CG 3.26Å; R195-D199 PolarHBondContact O-N 3.32Å; D199-N201 PolarHBondContact O-N 3.39Å; D199-A202 WeakPolarHBondContact O-CB 3.45Å; D199-A202 PolarHBondContact O-N 3.17Å; D199-E203 PolarHBondContact O-N 3.17Å
200	M	75.9	Confident	83.1	Confident	35 Å²	35	79.3 Å²	79.3	17%	0.172	40%	0.4	C	S	.	.	H	α-helix	trans	-65.4	-36.1	176.8	-175.2	-179.6	74.6	0	0	112.8	K196 N198 E203 Y204 R329	K196-M200 WeakPolarHBondContact O-CB 3.07Å; K196-M200 PolarHBondContact O-N 2.82Å; N198-M200 VanDerWaalsContact C-N 3.33Å; N198-M200 PolarHBondContact O-N 2.94Å; M200-E203 PolarHBondContact O-N 3.4Å; M200-Y204 HydrophobicContact CE-CE2 3.9Å; M200-Y204 WeakPolarHBondContact CE-OH 3.47Å; M200-Y204 HydrophobicContact CG-CD2 4.46Å; M200-Y204 HydrophobicContact CG-CE1 3.71Å; M200-Y204 HydrophobicContact CG-CE2 3.67Å; M200-Y204 VanDerWaalsContact CG-OH 3.22Å; M200-Y204 WeakPolarHBondContact CG-OH 3.49Å; M200-Y204 WeakPolarHBondContact O-CD1 3.48Å; M200-Y204 WeakPolarHBondContact O-CD2 3.34Å; M200-Y204 PolarHBondContact O-N 3.24Å; M200-Y204 HydrophobicContact SD-CE2 4.26Å; M200-Y204 PolarHBondContact SD-OH 3.37Å; M200-R329 HydrophobicContact CE-CG 4.14Å; M200-R329 VanDerWaalsContact CE-NE 3.34Å; M200-R329 HydrophobicContact SD-CG 4.05Å
201	N	82.4	Confident	83.3	Confident	61 Å²	61	78.8 Å²	78.8	33%	0.326	41%	0.405	S	S	.	.	H	α-helix	trans	-65.3	-37.6	174.1	-79.7	-26.4	0	0	0	112.3	E197 N198 D199 Y204 E205	E197-N201 WeakPolarHBondContact O-CB 3.47Å; E197-N201 PolarHBondContact O-N 3.47Å; E197-N201 PolarHBondContact O-ND2 2.82Å; N198-N201 PolarHBondContact O-N 2.76Å; D199-N201 PolarHBondContact O-N 3.39Å; N201-Y204 PolarHBondContact O-N 3.24Å; N201-E205 PolarHBondContact O-N 3.11Å
202	A	83.9	Confident	83.6	Confident	56 Å²	56	73.1 Å²	73.1	46%	0.463	38%	0.38	S	S	.	.	H	α-helix	trans	-63.8	-42	175.5	0	0	0	0	0	111.5	N198 D199 Y204 E205 I206	N198-A202 PolarHBondContact O-N 2.86Å; D199-A202 WeakPolarHBondContact O-CB 3.45Å; D199-A202 PolarHBondContact O-N 3.17Å; A202-Y204 VanDerWaalsContact C-N 3.33Å; A202-Y204 PolarHBondContact O-N 2.81Å; A202-E205 PolarHBondContact O-N 3.44Å; A202-I206 WeakPolarHBondContact O-CG1 3.44Å; A202-I206 PolarHBondContact O-N 3.5Å
203	E	84.8	Confident	84.2	Confident	61 Å²	61	73.7 Å²	73.7	29%	0.285	38%	0.384	S	S	.	.	H	α-helix	trans	-61.4	-41.5	173.5	-68.4	171.5	-179.5	0	0	111.6	D199 M200 E205 I206 L207 L331	D199-E203 PolarHBondContact O-N 3.17Å; M200-E203 PolarHBondContact O-N 3.4Å; E203-E205 VanDerWaalsContact C-N 3.33Å; E203-E205 PolarHBondContact O-N 3.12Å; E203-I206 WeakPolarHBondContact O-CB 3.15Å; E203-I206 PolarHBondContact O-N 3.36Å; E203-L207 WeakPolarHBondContact O-CG 3.33Å; E203-L207 PolarHBondContact O-N 3.35Å; E203-L331 HydrophobicContact CB-CD1 3.92Å; E203-L331 WeakPolarHBondContact OE2-CD1 3.45Å
204	Y	87.3	Confident	84.8	Confident	1 Å²	1	71.5 Å²	71.5	0%	0.004	37%	0.373	C	S	.	.	H	α-helix	trans	-63.4	-35.8	176.2	-62.1	-19.8	0	0	0	113.5	M200 N201 A202 I206 L207 R208 V214 L216 R329 L331	M200-Y204 HydrophobicContact CE-CE2 3.9Å; M200-Y204 WeakPolarHBondContact CE-OH 3.47Å; M200-Y204 HydrophobicContact CG-CD2 4.46Å; M200-Y204 HydrophobicContact CG-CE1 3.71Å; M200-Y204 HydrophobicContact CG-CE2 3.67Å; M200-Y204 VanDerWaalsContact CG-OH 3.22Å; M200-Y204 WeakPolarHBondContact CG-OH 3.49Å; M200-Y204 WeakPolarHBondContact O-CD1 3.48Å; M200-Y204 WeakPolarHBondContact O-CD2 3.34Å; M200-Y204 PolarHBondContact O-N 3.24Å; M200-Y204 HydrophobicContact SD-CE2 4.26Å; M200-Y204 PolarHBondContact SD-OH 3.37Å; N201-Y204 PolarHBondContact O-N 3.24Å; A202-Y204 VanDerWaalsContact C-N 3.33Å; A202-Y204 PolarHBondContact O-N 2.81Å; Y204-I206 VanDerWaalsContact C-N 3.32Å; Y204-L207 HydrophobicContact CD1-CD1 4.42Å; Y204-L207 PolarHBondContact O-N 3.2Å; Y204-R208 WeakPolarHBondContact O-CB 3.36Å; Y204-R208 WeakPolarHBondContact O-CG 3.47Å; Y204-R208 PolarHBondContact O-N 2.67Å; Y204-V214 HydrophobicContact CD1-CG1 4.04Å; Y204-V214 HydrophobicContact CD1-CG2 4.23Å; Y204-V214 HydrophobicContact CE1-CG1 3.77Å; Y204-L216 HydrophobicContact CD2-CD2 3.86Å; Y204-L216 HydrophobicContact CE1-CD2 4.48Å; Y204-L216 HydrophobicContact CE2-CD2 3.18Å; Y204-R329 WeakPolarHBondContact OH-CA 3.33Å; Y204-R329 WeakPolarHBondContact OH-CG 3.46Å; Y204-R329 PolarHBondContact OH-O 2.91Å; Y204-L331 HydrophobicContact CD1-CD1 4.44Å; Y204-L331 HydrophobicContact CD1-CD2 3.84Å; Y204-L331 HydrophobicContact CD1-CG 4.46Å; Y204-L331 HydrophobicContact CE1-CD1 4.22Å; Y204-L331 HydrophobicContact CE1-CD2 3.48Å; Y204-L331 VanDerWaalsContact CE1-CD2 3.48Å; Y204-L331 HydrophobicContact CE1-CG 3.89Å
205	E	87.9	Confident	85.1	Confident	109 Å²	109	69.4 Å²	69.4	51%	0.509	36%	0.358	S	S	.	.	H	α-helix	trans	-64.3	-40.1	174.4	-69.6	-53.6	152.9	0	0	111.5	N201 A202 E203 L207 R208 S209	N201-E205 PolarHBondContact O-N 3.11Å; A202-E205 PolarHBondContact O-N 3.44Å; E203-E205 VanDerWaalsContact C-N 3.33Å; E203-E205 PolarHBondContact O-N 3.12Å; E205-L207 VanDerWaalsContact C-N 3.32Å; E205-L207 PolarHBondContact O-N 2.71Å; E205-R208 VanDerWaalsContact CD-NH2 3.35Å; E205-R208 PolarHBondContact O-N 2.56Å; E205-R208 IonicContact OE1-CZ 3.72Å; E205-R208 IonicContact OE1-NE 3.48Å; E205-R208 PolarHBondContact OE1-NE 3.1Å; E205-R208 IonicContact OE1-NH2 3.18Å; E205-R208 PolarHBondContact OE1-NH2 3.2Å; E205-R208 IonicContact OE2-NE 2.62Å; E205-R208 PolarHBondContact OE2-NE 3Å; E205-R208 IonicContact OE2-NH2 2.82Å; E205-S209 WeakPolarHBondContact O-CB 3.37Å; E205-S209 PolarHBondContact O-N 2.63Å
206	I	89.8	Confident	85.3	Confident	72 Å²	72	65.2 Å²	65.2	37%	0.369	35%	0.348	S	S	.	.	H	α-helix	trans	-61.2	-43.8	174.5	-64	168	0	0	0	110.1	A202 E203 Y204 S209 R210 V233 F239	A202-I206 WeakPolarHBondContact O-CG1 3.44Å; A202-I206 PolarHBondContact O-N 3.5Å; E203-I206 WeakPolarHBondContact O-CB 3.15Å; E203-I206 PolarHBondContact O-N 3.36Å; Y204-I206 VanDerWaalsContact C-N 3.32Å; I206-S209 PolarHBondContact O-N 2.84Å; I206-S209 PolarHBondContact O-OG 3.28Å; I206-R210 PolarHBondContact O-N 2.86Å; I206-V233 HydrophobicContact CG2-CG2 4.33Å; I206-F239 HydrophobicContact CG2-CE1 3.82Å; I206-F239 HydrophobicContact CG2-CZ 3.68Å
207	L	91.7	Very high	85.6	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-65.5	-45.1	177.6	-67.2	176.3	0	0	0	112.7	E203 Y204 E205 S209 R210 G211 I212 V214 F231 F239 W241 L331	E203-L207 WeakPolarHBondContact O-CG 3.33Å; E203-L207 PolarHBondContact O-N 3.35Å; Y204-L207 HydrophobicContact CD1-CD1 4.42Å; Y204-L207 PolarHBondContact O-N 3.2Å; E205-L207 VanDerWaalsContact C-N 3.32Å; E205-L207 PolarHBondContact O-N 2.71Å; L207-S209 VanDerWaalsContact C-N 3.31Å; L207-S209 PolarHBondContact O-N 3.03Å; L207-R210 CarbonylContact O-C 3.54Å; L207-R210 WeakPolarHBondContact O-CA 3.43Å; L207-R210 PolarHBondContact O-N 3.31Å; L207-G211 PolarHBondContact O-N 3.47Å; L207-I212 HydrophobicContact CB-CB 4.27Å; L207-I212 HydrophobicContact CD2-CB 4.5Å; L207-I212 HydrophobicContact CD2-CD1 3.95Å; L207-I212 PolarHBondContact O-N 2.97Å; L207-V214 HydrophobicContact CB-CG2 4.26Å; L207-V214 HydrophobicContact CD1-CG2 3.8Å; L207-F231 HydrophobicContact CD2-CE1 4.24Å; L207-F231 HydrophobicContact CD2-CE2 3.89Å; L207-F231 HydrophobicContact CD2-CZ 3.59Å; L207-F231 HydrophobicContact CG-CE1 4.46Å; L207-F231 HydrophobicContact CG-CZ 4.27Å; L207-F239 HydrophobicContact CD2-CD2 4.13Å; L207-F239 HydrophobicContact CD2-CE2 3.6Å; L207-F239 HydrophobicContact CD2-CZ 4.16Å; L207-W241 HydrophobicContact CD1-CH2 4.1Å; L207-W241 HydrophobicContact CD2-CH2 3.47Å; L207-W241 VanDerWaalsContact CD2-CH2 3.47Å; L207-W241 HydrophobicContact CD2-CZ2 3.73Å; L207-W241 HydrophobicContact CG-CH2 4.46Å; L207-L331 HydrophobicContact CD1-CD1 4.16Å; L207-L331 HydrophobicContact CD1-CD2 3.32Å; L207-L331 HydrophobicContact CD1-CG 4.38Å
208	R	89	Confident	85.7	Confident	111 Å²	111	66.4 Å²	66.4	42%	0.419	35%	0.353	S	S	.	.	H	α-helix	trans	-58.7	-42.8	175.6	-80.9	-168.9	-83.5	-89.7	6.9	111.5	Y204 E205 R210 G211	Y204-R208 WeakPolarHBondContact O-CB 3.36Å; Y204-R208 WeakPolarHBondContact O-CG 3.47Å; Y204-R208 PolarHBondContact O-N 2.67Å; E205-R208 VanDerWaalsContact CD-NH2 3.35Å; E205-R208 PolarHBondContact O-N 2.56Å; E205-R208 IonicContact OE1-CZ 3.72Å; E205-R208 IonicContact OE1-NE 3.48Å; E205-R208 PolarHBondContact OE1-NE 3.1Å; E205-R208 IonicContact OE1-NH2 3.18Å; E205-R208 PolarHBondContact OE1-NH2 3.2Å; E205-R208 IonicContact OE2-NE 2.62Å; E205-R208 PolarHBondContact OE2-NE 3Å; E205-R208 IonicContact OE2-NH2 2.82Å; R208-R210 PolarHBondContact O-N 3.05Å; R208-G211 PolarHBondContact O-N 3.01Å
209	S	91.1	Very high	85.7	Confident	99 Å²	99	69.7 Å²	69.7	69%	0.692	36%	0.362	S	S	*	.	H	α-helix	trans	-61.8	-25.5	177	79.8	0	0	0	0	113	E205 I206 L207	E205-S209 WeakPolarHBondContact O-CB 3.37Å; E205-S209 PolarHBondContact O-N 2.63Å; I206-S209 PolarHBondContact O-N 2.84Å; I206-S209 PolarHBondContact O-OG 3.28Å; L207-S209 VanDerWaalsContact C-N 3.31Å; L207-S209 PolarHBondContact O-N 3.03Å
210	R	90.1	Very high	85.8	Confident	82 Å²	82	69.6 Å²	69.6	31%	0.309	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	2.5	174.1	-63.2	-148	-171.9	167.8	-4	114.3	I206 L207 R208 G237 F239 E261	I206-R210 PolarHBondContact O-N 2.86Å; L207-R210 CarbonylContact O-C 3.54Å; L207-R210 WeakPolarHBondContact O-CA 3.43Å; L207-R210 PolarHBondContact O-N 3.31Å; R208-R210 PolarHBondContact O-N 3.05Å; R210-G237 VanDerWaalsContact CZ-O 3.28Å; R210-G237 PolarHBondContact NH1-O 2.9Å; R210-G237 PolarHBondContact NH2-O 2.94Å; R210-F239 HydrophobicContact CB-CE2 4.28Å; R210-F239 HydrophobicContact CB-CZ 4.47Å; R210-F239 VanDerWaalsContact CD-CE2 3.45Å; R210-F239 HydrophobicContact CG-CE2 4.08Å; R210-F239 HydrophobicContact CG-CZ 3.82Å; R210-E261 IonicContact NH1-OE1 3.09Å
211	G	90.4	Very high	86	Confident	54 Å²	54	69.9 Å²	69.9	56%	0.557	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.7	32.4	-179.3	0	0	0	0	0	113.6	L207 R208	L207-G211 PolarHBondContact O-N 3.47Å; R208-G211 PolarHBondContact O-N 3.01Å
212	I	92.3	Very high	85.8	Confident	4 Å²	4	74.9 Å²	74.9	2%	0.021	40%	0.395	C	S	.	.			trans	-99	123.8	174.4	-60.4	176.5	0	0	0	108.6	L207 F239 W241 V327	L207-I212 HydrophobicContact CB-CB 4.27Å; L207-I212 HydrophobicContact CD2-CB 4.5Å; L207-I212 HydrophobicContact CD2-CD1 3.95Å; L207-I212 PolarHBondContact O-N 2.97Å; I212-F239 HydrophobicContact CD1-CD2 4.1Å; I212-F239 HydrophobicContact CD1-CE2 3.86Å; I212-W241 HydrophobicContact CD1-CZ2 3.99Å; I212-V327 HydrophobicContact CG2-CG2 3.83Å
213	D	90.5	Very high	85.6	Confident	102 Å²	102	75.2 Å²	75.2	55%	0.545	39%	0.388	S	S	.	.			trans	-77.5	135.2	177.1	-72	-28.9	0	0	0	111	S326 V327	D213-S326 WeakPolarHBondContact CB-OG 3.23Å; D213-S326 CarbonylContact O-C 3.56Å; D213-S326 VanDerWaalsContact O-CA 3.29Å; D213-S326 WeakPolarHBondContact O-CA 3.38Å; D213-V327 PolarHBondContact O-N 3.08Å
214	V	89.3	Confident	85.3	Confident	28 Å²	28	76.8 Å²	76.8	17%	0.17	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	119.8	176	-175.7	0	0	0	0	109.5	Y204 L207 L216 V327 L331	Y204-V214 HydrophobicContact CD1-CG1 4.04Å; Y204-V214 HydrophobicContact CD1-CG2 4.23Å; Y204-V214 HydrophobicContact CE1-CG1 3.77Å; L207-V214 HydrophobicContact CB-CG2 4.26Å; L207-V214 HydrophobicContact CD1-CG2 3.8Å; V214-L216 HydrophobicContact CG1-CD2 3.92Å; V214-L216 PolarHBondContact O-N 3.25Å; V214-V327 CarbonylContact C-O 3.58Å; V214-V327 WeakPolarHBondContact CA-O 3.22Å; V214-L331 HydrophobicContact CG1-CD2 4.39Å; V214-L331 HydrophobicContact CG2-CD2 4.44Å
215	N	86.3	Confident	84.8	Confident	17 Å²	17	81.3 Å²	81.3	9%	0.091	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	101	174	-175.7	1.2	0	0	0	111.6	K217 L218 D302 V327 R329	N215-K217 VanDerWaalsContact C-N 3.25Å; N215-K217 PolarHBondContact O-N 2.92Å; N215-K217 VanDerWaalsContact OD1-CB 3.25Å; N215-K217 WeakPolarHBondContact OD1-CB 3.46Å; N215-K217 PolarHBondContact OD1-N 3.24Å; N215-L218 HydrophobicContact CB-CD1 4.21Å; N215-L218 HydrophobicContact CB-CG 4.48Å; N215-L218 WeakPolarHBondContact ND2-CG 3.47Å; N215-D302 PolarHBondContact ND2-OD1 2.98Å; N215-V327 PolarHBondContact N-O 2.96Å; N215-R329 PolarHBondContact O-N 2.94Å
216	L	83.4	Confident	84.3	Confident	82 Å²	82	76.7 Å²	76.7	43%	0.429	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-12.6	178	-56	179.7	0	0	0	114.6	Y204 V214 R329	Y204-L216 HydrophobicContact CD2-CD2 3.86Å; Y204-L216 HydrophobicContact CE1-CD2 4.48Å; Y204-L216 HydrophobicContact CE2-CD2 3.18Å; V214-L216 HydrophobicContact CG1-CD2 3.92Å; V214-L216 PolarHBondContact O-N 3.25Å; L216-R329 HydrophobicContact CD2-CG 4.37Å
217	K	83.3	Confident	83.4	Confident	190 Å²	190	77.7 Å²	77.7	83%	0.826	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-21.2	-178.9	-57.2	-179.6	-180	176.5	0	112.6	N215	N215-K217 VanDerWaalsContact C-N 3.25Å; N215-K217 PolarHBondContact O-N 2.92Å; N215-K217 VanDerWaalsContact OD1-CB 3.25Å; N215-K217 WeakPolarHBondContact OD1-CB 3.46Å; N215-K217 PolarHBondContact OD1-N 3.24Å
218	L	77.8	Confident	82.4	Confident	43 Å²	43	82.5 Å²	82.5	23%	0.225	45%	0.449	C	S	.	.	S	Bend	trans	-78	124.8	178	-65	172	0	0	0	109.4	N215 R328 R329	N215-L218 HydrophobicContact CB-CD1 4.21Å; N215-L218 HydrophobicContact CB-CG 4.48Å; N215-L218 WeakPolarHBondContact ND2-CG 3.47Å; L218-R328 HydrophobicContact CB-CG 4.4Å; L218-R328 HydrophobicContact CD1-CG 3.86Å; L218-R329 WeakPolarHBondContact O-CB 3.32Å
219	K	76.1	Confident	81.7	Confident	173 Å²	173	78.1 Å²	78.1	75%	0.752	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-66.1	147.8	177	-64.8	-177.3	-179.9	180	0	110.3	R328	K219-R328 PolarHBondContact O-NH2 3.43Å
220	P	77.9	Confident	81.4	Confident	81 Å²	81	78.3 Å²	78.3	53%	0.526	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-52.5	144.3	170	-26.3	35.6	0	0	0	111.9	D330	P220-D330 WeakPolarHBondContact CA-OD2 3.37Å; P220-D330 HydrophobicContact CB-CB 4.16Å
221	I	81	Confident	81.4	Confident	42 Å²	42	74.6 Å²	74.6	22%	0.215	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-74.4	124.3	171.8	-61.6	-175.1	0	0	0	109.1	M223 L244 D330 L332 I334	I221-M223 VanDerWaalsContact C-N 3.31Å; I221-M223 HydrophobicContact CG2-CB 3.91Å; I221-M223 HydrophobicContact CG2-CG 3.33Å; I221-M223 PolarHBondContact O-N 2.97Å; I221-M223 VanDerWaalsContact O-N 3.11Å; I221-L244 HydrophobicContact CD1-CD2 3.77Å; I221-D330 PolarHBondContact N-OD2 3.22Å; I221-L332 HydrophobicContact CD1-CD2 3.49Å; I221-L332 VanDerWaalsContact CD1-CD2 3.49Å; I221-L332 HydrophobicContact CG1-CD2 4.26Å; I221-I334 HydrophobicContact CD1-CD1 3.64Å; I221-I334 HydrophobicContact CD1-CG1 4.35Å
222	D	78.1	Confident	81.4	Confident	165 Å²	165	76.6 Å²	76.6	88%	0.882	41%	0.41	S	S	*	.			trans	-85.9	73.6	176.1	-165.1	22.1	0	0	0	110.1
223	M	80.6	Confident	81.4	Confident	64 Å²	64	79 Å²	79	32%	0.315	43%	0.425	S	S	.	.			trans	-124.7	127.5	175.5	-70.5	-74.9	-74.3	0	0	109.3	I221 E225 V226 S227	I221-M223 VanDerWaalsContact C-N 3.31Å; I221-M223 HydrophobicContact CG2-CB 3.91Å; I221-M223 HydrophobicContact CG2-CG 3.33Å; I221-M223 PolarHBondContact O-N 2.97Å; I221-M223 VanDerWaalsContact O-N 3.11Å; M223-E225 PolarHBondContact O-N 3Å; M223-V226 HydrophobicContact CB-CB 4.2Å; M223-V226 HydrophobicContact CB-CG2 3.87Å; M223-V226 PolarHBondContact O-N 3.47Å; M223-V226 VanDerWaalsContact O-N 3.14Å; M223-S227 PolarHBondContact O-N 2.93Å; M223-S227 VanDerWaalsContact O-N 3.12Å
224	P	77.4	Confident	81.5	Confident	93 Å²	93	75.9 Å²	75.9	60%	0.604	41%	0.408	S	S	*	.	H	α-helix	trans	-54.3	-38.3	179.2	-26.6	34.6	0	0	0	113.3	V226 S227	P224-V226 VanDerWaalsContact C-N 3.34Å; P224-V226 PolarHBondContact O-N 3.27Å; P224-S227 PolarHBondContact O-N 3.48Å; P224-S227 PolarHBondContact O-OG 3.45Å
225	E	77.4	Confident	81.7	Confident	97 Å²	97	80.6 Å²	80.6	45%	0.453	44%	0.443	S	S	.	.	H	α-helix	trans	-64.9	-38.9	-178.7	-58.6	78.7	-170.8	0	0	112	M223 F255	M223-E225 PolarHBondContact O-N 3Å; E225-F255 HydrophobicContact CB-CD1 4.15Å; E225-F255 WeakPolarHBondContact O-CE1 3.19Å
226	V	78	Confident	82.1	Confident	12 Å²	12	86.4 Å²	86.4	7%	0.073	47%	0.473	C	S	.	.	H	α-helix	trans	-75.3	-34.9	-178.9	179	0	0	0	0	110.9	M223 P224 C228 S229 F255 L332	M223-V226 HydrophobicContact CB-CB 4.2Å; M223-V226 HydrophobicContact CB-CG2 3.87Å; M223-V226 PolarHBondContact O-N 3.47Å; M223-V226 VanDerWaalsContact O-N 3.14Å; P224-V226 VanDerWaalsContact C-N 3.34Å; P224-V226 PolarHBondContact O-N 3.27Å; V226-C228 PolarHBondContact O-N 2.84Å; V226-S229 PolarHBondContact O-N 3.47Å; V226-F255 HydrophobicContact CG2-CD2 4.16Å; V226-F255 HydrophobicContact CG2-CE2 4.1Å; V226-F255 HydrophobicContact CG2-CZ 4.4Å; V226-L332 HydrophobicContact CG1-CD1 4.38Å; V226-L332 HydrophobicContact CG1-CD2 4.01Å; V226-L332 HydrophobicContact CG2-CD2 4.42Å
227	S	70.4	Confident	82.4	Confident	92 Å²	92	83.7 Å²	83.7	64%	0.643	47%	0.465	S	S	*	.	H	α-helix	trans	-59	-21.1	-174.8	73.4	0	0	0	0	115	M223 P224	M223-S227 PolarHBondContact O-N 2.93Å; M223-S227 VanDerWaalsContact O-N 3.12Å; P224-S227 PolarHBondContact O-N 3.48Å; P224-S227 PolarHBondContact O-OG 3.45Å
228	C	69.7	Low	83	Confident	101 Å²	101	78.4 Å²	78.4	68%	0.682	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-7	-175.7	-70.4	0	0	0	0	114.6	V226	V226-C228 PolarHBondContact O-N 2.84Å
229	S	75.5	Confident	83.8	Confident	19 Å²	19	76.4 Å²	76.4	13%	0.133	43%	0.431	C	S	.	.			trans	-128.9	131.2	-174.2	-46	0	0	0	0	110.6	V226 R257	V226-S229 PolarHBondContact O-N 3.47Å; S229-R257 WeakPolarHBondContact OG-CB 3.49Å; S229-R257 WeakPolarHBondContact OG-CD 3.34Å; S229-R257 WeakPolarHBondContact OG-CG 3.5Å
230	T	83.2	Confident	84.7	Confident	103 Å²	103	69.1 Å²	69.1	63%	0.632	40%	0.4	S	S	*	.			trans	-126.6	150.4	-176.4	50.1	0	0	0	0	110.3
231	F	90.9	Very high	85.6	Confident	4 Å²	4	65.3 Å²	65.3	2%	0.018	38%	0.375	C	S	.	.			trans	-56.4	141.4	169.7	163.8	-92	0	0	0	110.4	L207 V233 F239 H240 W241 L331	L207-F231 HydrophobicContact CD2-CE1 4.24Å; L207-F231 HydrophobicContact CD2-CE2 3.89Å; L207-F231 HydrophobicContact CD2-CZ 3.59Å; L207-F231 HydrophobicContact CG-CE1 4.46Å; L207-F231 HydrophobicContact CG-CZ 4.27Å; F231-V233 HydrophobicContact CE1-CG2 4.19Å; F231-V233 HydrophobicContact CZ-CG2 4.07Å; F231-F239 HydrophobicContact CE2-CB 3.82Å; F231-F239 HydrophobicContact CE2-CD1 4.14Å; F231-F239 AromaticContact CE2-CD2 3.88Å; F231-F239 HydrophobicContact CE2-CD2 3.88Å; F231-F239 HydrophobicContact CE2-CE2 4.44Å; F231-F239 AromaticContact CE2-CG 3.69Å; F231-F239 HydrophobicContact CE2-CG 3.69Å; F231-F239 HydrophobicContact CZ-CB 4.42Å; F231-F239 AromaticContact CZ-CD1 3.86Å; F231-F239 HydrophobicContact CZ-CD1 3.86Å; F231-F239 HydrophobicContact CZ-CD2 4.05Å; F231-F239 HydrophobicContact CZ-CE1 4.02Å; F231-F239 HydrophobicContact CZ-CE2 4.2Å; F231-F239 AromaticContact CZ-CG 3.86Å; F231-F239 HydrophobicContact CZ-CG 3.86Å; F231-F239 HydrophobicContact CZ-CZ 4.18Å; F231-H240 WeakPolarHBondContact CA-O 3.42Å; F231-H240 VanDerWaalsContact CD2-O 3.28Å; F231-H240 WeakPolarHBondContact CD2-O 3.48Å; F231-W241 HydrophobicContact CB-CE3 4.48Å; F231-W241 HydrophobicContact CB-CZ3 4.44Å; F231-W241 AromaticContact CD2-CD2 3.74Å; F231-W241 HydrophobicContact CD2-CD2 3.74Å; F231-W241 AromaticContact CD2-CE2 3.87Å; F231-W241 AromaticContact CD2-CE3 3.52Å; F231-W241 HydrophobicContact CD2-CE3 3.52Å; F231-W241 AromaticContact CD2-CH2 3.63Å; F231-W241 HydrophobicContact CD2-CH2 3.63Å; F231-W241 AromaticContact CD2-CZ2 3.85Å; F231-W241 HydrophobicContact CD2-CZ2 3.85Å; F231-W241 AromaticContact CD2-CZ3 3.43Å; F231-W241 HydrophobicContact CD2-CZ3 3.43Å; F231-W241 VanDerWaalsContact CD2-CZ3 3.43Å; F231-W241 HydrophobicContact CE2-CD2 4.12Å; F231-W241 AromaticContact CE2-CE2 3.73Å; F231-W241 HydrophobicContact CE2-CE3 4.19Å; F231-W241 AromaticContact CE2-CH2 3.59Å; F231-W241 HydrophobicContact CE2-CH2 3.59Å; F231-W241 AromaticContact CE2-CZ2 3.49Å; F231-W241 HydrophobicContact CE2-CZ2 3.49Å; F231-W241 VanDerWaalsContact CE2-CZ2 3.49Å; F231-W241 AromaticContact CE2-CZ3 3.93Å; F231-W241 HydrophobicContact CE2-CZ3 3.93Å; F231-W241 HydrophobicContact CG-CE3 4.37Å; F231-W241 HydrophobicContact CG-CZ3 4.13Å; F231-W241 HydrophobicContact CZ-CH2 4.47Å; F231-W241 HydrophobicContact CZ-CZ2 4.48Å; F231-L331 HydrophobicContact CB-CB 3.65Å; F231-L331 HydrophobicContact CB-CD1 3.86Å; F231-L331 HydrophobicContact CB-CG 4.42Å; F231-L331 HydrophobicContact CD1-CD1 3.62Å; F231-L331 HydrophobicContact CE1-CD1 4.46Å; F231-L331 HydrophobicContact CG-CB 4.32Å; F231-L331 HydrophobicContact CG-CD1 3.94Å
232	Y	91.5	Very high	86.2	Confident	97 Å²	97	63.4 Å²	63.4	38%	0.38	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	168.8	171.6	71.2	-86.5	0	0	0	112.4	D234 H240 D258	Y232-D234 HydrophobicContact CE2-CB 4.43Å; Y232-H240 HydrophobicContact CD1-CB 3.65Å; Y232-H240 HydrophobicContact CD2-CB 4.18Å; Y232-H240 HydrophobicContact CE1-CB 3.33Å; Y232-H240 AromaticContact CE1-CG 3.78Å; Y232-H240 HydrophobicContact CE2-CB 3.9Å; Y232-H240 AromaticContact CE2-CD2 3.67Å; Y232-H240 AromaticContact CE2-CG 3.63Å; Y232-H240 HydrophobicContact CG-CB 4.06Å; Y232-H240 VanDerWaalsContact CZ-CB 3.48Å; Y232-H240 AromaticContact CZ-CD2 3.87Å; Y232-H240 AromaticContact CZ-CG 3.35Å; Y232-H240 AromaticContact CZ-ND1 3.55Å; Y232-H240 PolarHBondContact N-O 3.16Å; Y232-H240 PolarHBondContact O-N 3.23Å; Y232-H240 PolarHBondContact OH-ND1 3.46Å; Y232-H240 VanDerWaalsContact OH-ND1 3.13Å; Y232-D258 PolarHBondContact OH-OD2 2.92Å
233	V	92	Very high	87.1	Confident	55 Å²	55	55.5 Å²	55.5	33%	0.333	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	124.6	175.8	-170.7	0	0	0	0	108.7	I206 F231 K238 F239	I206-V233 HydrophobicContact CG2-CG2 4.33Å; F231-V233 HydrophobicContact CE1-CG2 4.19Å; F231-V233 HydrophobicContact CZ-CG2 4.07Å; V233-K238 WeakPolarHBondContact CA-O 3.2Å; V233-F239 HydrophobicContact CB-CD1 4.34Å; V233-F239 HydrophobicContact CB-CE1 4.46Å; V233-F239 HydrophobicContact CG1-CD1 4.08Å; V233-F239 HydrophobicContact CG1-CE1 4.13Å; V233-F239 HydrophobicContact CG2-CD1 3.67Å; V233-F239 HydrophobicContact CG2-CE1 3.54Å
234	D	92.8	Very high	87.8	Confident	36 Å²	36	52.8 Å²	52.8	19%	0.193	31%	0.31	C	S	.	.			trans	-74.4	175.1	178.7	77.6	4.1	0	0	0	112.6	Y232 L236 G237 K238 H240	Y232-D234 HydrophobicContact CE2-CB 4.43Å; D234-L236 PolarHBondContact O-N 3.4Å; D234-L236 VanDerWaalsContact O-N 3.16Å; D234-L236 VanDerWaalsContact OD1-C 3.22Å; D234-L236 VanDerWaalsContact OD1-CA 3.27Å; D234-L236 WeakPolarHBondContact OD1-CA 3.45Å; D234-L236 WeakPolarHBondContact OD1-CB 3.4Å; D234-L236 PolarHBondContact OD1-N 3.27Å; D234-G237 PolarHBondContact O-N 3.46Å; D234-G237 PolarHBondContact OD1-N 3.43Å; D234-K238 PolarHBondContact N-O 3.42Å; D234-K238 PolarHBondContact OD1-N 2.98Å; D234-K238 WeakPolarHBondContact OD2-CB 3.32Å; D234-H240 IonicContact OD2-NE2 2.67Å
235	S	92.4	Very high	88.6	Confident	127 Å²	127	48.3 Å²	48.3	89%	0.888	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-19.6	177	64.4	0	0	0	0	114.7
236	L	94.4	Very high	89.5	Confident	139 Å²	139	46 Å²	46	73%	0.728	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	2.1	177.2	-59.8	176.5	0	0	0	112.2	D234 K238	D234-L236 PolarHBondContact O-N 3.4Å; D234-L236 VanDerWaalsContact O-N 3.16Å; D234-L236 VanDerWaalsContact OD1-C 3.22Å; D234-L236 VanDerWaalsContact OD1-CA 3.27Å; D234-L236 WeakPolarHBondContact OD1-CA 3.45Å; D234-L236 WeakPolarHBondContact OD1-CB 3.4Å; D234-L236 PolarHBondContact OD1-N 3.27Å; L236-K238 VanDerWaalsContact C-N 3.32Å; L236-K238 HydrophobicContact CB-CG 4.31Å
237	G	91.1	Very high	90.3	Very high	25 Å²	25	45.5 Å²	45.5	26%	0.258	27%	0.267	S	S	.	.	S	Bend	trans	74.9	16.5	-176.6	0	0	0	0	0	114.1	R210 D234	R210-G237 VanDerWaalsContact CZ-O 3.28Å; R210-G237 PolarHBondContact NH1-O 2.9Å; R210-G237 PolarHBondContact NH2-O 2.94Å; D234-G237 PolarHBondContact O-N 3.46Å; D234-G237 PolarHBondContact OD1-N 3.43Å
238	K	94.4	Very high	91.4	Very high	79 Å²	79	43 Å²	43	34%	0.343	25%	0.249	S	C	.	.			trans	-83.1	144.6	173.3	-56.1	-64.9	-176.5	178.2	0	110.3	V233 D234 L236 I260	V233-K238 WeakPolarHBondContact CA-O 3.2Å; D234-K238 PolarHBondContact N-O 3.42Å; D234-K238 PolarHBondContact OD1-N 2.98Å; D234-K238 WeakPolarHBondContact OD2-CB 3.32Å; L236-K238 VanDerWaalsContact C-N 3.32Å; L236-K238 HydrophobicContact CB-CG 4.31Å; K238-I260 HydrophobicContact CB-CD1 4.02Å; K238-I260 HydrophobicContact CB-CG1 4.05Å; K238-I260 HydrophobicContact CG-CD1 4.19Å
239	F	95.1	Very high	92.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	136.8	177	-72.3	-5	0	0	0	111	I206 L207 R210 I212 F231 V233 W241 I260 E261	I206-F239 HydrophobicContact CG2-CE1 3.82Å; I206-F239 HydrophobicContact CG2-CZ 3.68Å; L207-F239 HydrophobicContact CD2-CD2 4.13Å; L207-F239 HydrophobicContact CD2-CE2 3.6Å; L207-F239 HydrophobicContact CD2-CZ 4.16Å; R210-F239 HydrophobicContact CB-CE2 4.28Å; R210-F239 HydrophobicContact CB-CZ 4.47Å; R210-F239 VanDerWaalsContact CD-CE2 3.45Å; R210-F239 HydrophobicContact CG-CE2 4.08Å; R210-F239 HydrophobicContact CG-CZ 3.82Å; I212-F239 HydrophobicContact CD1-CD2 4.1Å; I212-F239 HydrophobicContact CD1-CE2 3.86Å; F231-F239 HydrophobicContact CE2-CB 3.82Å; F231-F239 HydrophobicContact CE2-CD1 4.14Å; F231-F239 AromaticContact CE2-CD2 3.88Å; F231-F239 HydrophobicContact CE2-CD2 3.88Å; F231-F239 HydrophobicContact CE2-CE2 4.44Å; F231-F239 AromaticContact CE2-CG 3.69Å; F231-F239 HydrophobicContact CE2-CG 3.69Å; F231-F239 HydrophobicContact CZ-CB 4.42Å; F231-F239 AromaticContact CZ-CD1 3.86Å; F231-F239 HydrophobicContact CZ-CD1 3.86Å; F231-F239 HydrophobicContact CZ-CD2 4.05Å; F231-F239 HydrophobicContact CZ-CE1 4.02Å; F231-F239 HydrophobicContact CZ-CE2 4.2Å; F231-F239 AromaticContact CZ-CG 3.86Å; F231-F239 HydrophobicContact CZ-CG 3.86Å; F231-F239 HydrophobicContact CZ-CZ 4.18Å; V233-F239 HydrophobicContact CB-CD1 4.34Å; V233-F239 HydrophobicContact CB-CE1 4.46Å; V233-F239 HydrophobicContact CG1-CD1 4.08Å; V233-F239 HydrophobicContact CG1-CE1 4.13Å; V233-F239 HydrophobicContact CG2-CD1 3.67Å; V233-F239 HydrophobicContact CG2-CE1 3.54Å; F239-W241 AromaticContact CD2-CZ2 3.92Å; F239-W241 HydrophobicContact CD2-CZ2 3.92Å; F239-I260 CarbonylContact O-C 3.38Å; F239-I260 WeakPolarHBondContact O-CA 3.19Å; F239-E261 HydrophobicContact CB-CB 4.06Å; F239-E261 HydrophobicContact CB-CG 4.2Å; F239-E261 PolarHBondContact N-OE1 3.05Å; F239-E261 WeakPolarHBondContact O-CB 3.38Å; F239-E261 PolarHBondContact O-N 3.45Å
240	H	95.8	Very high	93.4	Very high	21 Å²	21	42.8 Å²	42.8	10%	0.097	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	124.6	174.6	-74.6	-104.3	0	0	0	108.7	F231 Y232 D234 D258 V259	F231-H240 WeakPolarHBondContact CA-O 3.42Å; F231-H240 VanDerWaalsContact CD2-O 3.28Å; F231-H240 WeakPolarHBondContact CD2-O 3.48Å; Y232-H240 HydrophobicContact CD1-CB 3.65Å; Y232-H240 HydrophobicContact CD2-CB 4.18Å; Y232-H240 HydrophobicContact CE1-CB 3.33Å; Y232-H240 AromaticContact CE1-CG 3.78Å; Y232-H240 HydrophobicContact CE2-CB 3.9Å; Y232-H240 AromaticContact CE2-CD2 3.67Å; Y232-H240 AromaticContact CE2-CG 3.63Å; Y232-H240 HydrophobicContact CG-CB 4.06Å; Y232-H240 VanDerWaalsContact CZ-CB 3.48Å; Y232-H240 AromaticContact CZ-CD2 3.87Å; Y232-H240 AromaticContact CZ-CG 3.35Å; Y232-H240 AromaticContact CZ-ND1 3.55Å; Y232-H240 PolarHBondContact N-O 3.16Å; Y232-H240 PolarHBondContact O-N 3.23Å; Y232-H240 PolarHBondContact OH-ND1 3.46Å; Y232-H240 VanDerWaalsContact OH-ND1 3.13Å; D234-H240 IonicContact OD2-NE2 2.67Å; H240-D258 WeakPolarHBondContact CB-OD1 3.25Å; H240-D258 IonicContact CE1-OD1 3.54Å; H240-D258 IonicContact CG-OD1 3.56Å; H240-D258 IonicContact ND1-OD1 2.69Å; H240-D258 PolarHBondContact ND1-OD1 3.45Å; H240-D258 IonicContact ND1-OD2 2.83Å; H240-V259 WeakPolarHBondContact CA-O 3.23Å
241	W	95.4	Very high	93.9	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	132.2	-171.3	-69.2	100.6	0	0	0	111.2	L207 I212 F231 F239 I243 V259 I316 T320 V327 L331 I333	L207-W241 HydrophobicContact CD1-CH2 4.1Å; L207-W241 HydrophobicContact CD2-CH2 3.47Å; L207-W241 VanDerWaalsContact CD2-CH2 3.47Å; L207-W241 HydrophobicContact CD2-CZ2 3.73Å; L207-W241 HydrophobicContact CG-CH2 4.46Å; I212-W241 HydrophobicContact CD1-CZ2 3.99Å; F231-W241 HydrophobicContact CB-CE3 4.48Å; F231-W241 HydrophobicContact CB-CZ3 4.44Å; F231-W241 AromaticContact CD2-CD2 3.74Å; F231-W241 HydrophobicContact CD2-CD2 3.74Å; F231-W241 AromaticContact CD2-CE2 3.87Å; F231-W241 AromaticContact CD2-CE3 3.52Å; F231-W241 HydrophobicContact CD2-CE3 3.52Å; F231-W241 AromaticContact CD2-CH2 3.63Å; F231-W241 HydrophobicContact CD2-CH2 3.63Å; F231-W241 AromaticContact CD2-CZ2 3.85Å; F231-W241 HydrophobicContact CD2-CZ2 3.85Å; F231-W241 AromaticContact CD2-CZ3 3.43Å; F231-W241 HydrophobicContact CD2-CZ3 3.43Å; F231-W241 VanDerWaalsContact CD2-CZ3 3.43Å; F231-W241 HydrophobicContact CE2-CD2 4.12Å; F231-W241 AromaticContact CE2-CE2 3.73Å; F231-W241 HydrophobicContact CE2-CE3 4.19Å; F231-W241 AromaticContact CE2-CH2 3.59Å; F231-W241 HydrophobicContact CE2-CH2 3.59Å; F231-W241 AromaticContact CE2-CZ2 3.49Å; F231-W241 HydrophobicContact CE2-CZ2 3.49Å; F231-W241 VanDerWaalsContact CE2-CZ2 3.49Å; F231-W241 AromaticContact CE2-CZ3 3.93Å; F231-W241 HydrophobicContact CE2-CZ3 3.93Å; F231-W241 HydrophobicContact CG-CE3 4.37Å; F231-W241 HydrophobicContact CG-CZ3 4.13Å; F231-W241 HydrophobicContact CZ-CH2 4.47Å; F231-W241 HydrophobicContact CZ-CZ2 4.48Å; F239-W241 AromaticContact CD2-CZ2 3.92Å; F239-W241 HydrophobicContact CD2-CZ2 3.92Å; W241-I243 HydrophobicContact CB-CG1 4.3Å; W241-V259 PolarHBondContact N-O 3.22Å; W241-V259 WeakPolarHBondContact O-CB 3.33Å; W241-V259 PolarHBondContact O-N 3.19Å; W241-I316 HydrophobicContact CB-CG2 4.48Å; W241-I316 HydrophobicContact CG-CG2 4.11Å; W241-T320 HydrophobicContact CZ2-CG2 4.3Å; W241-V327 HydrophobicContact CH2-CG1 4.43Å; W241-V327 HydrophobicContact CH2-CG2 3.97Å; W241-V327 HydrophobicContact CZ3-CG1 3.85Å; W241-V327 HydrophobicContact CZ3-CG2 4.07Å; W241-L331 HydrophobicContact CZ3-CB 4.4Å; W241-I333 HydrophobicContact CB-CD1 3.92Å; W241-I333 HydrophobicContact CD2-CD1 3.7Å; W241-I333 HydrophobicContact CD2-CG1 4.23Å; W241-I333 HydrophobicContact CE3-CD1 3.99Å; W241-I333 HydrophobicContact CE3-CG1 3.99Å; W241-I333 HydrophobicContact CG-CD1 3.67Å
242	P	95.2	Very high	94	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.013	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	135.5	157.5	29.6	-30.1	0	0	0	109.4	F255 L256 L332 I333	P242-F255 HydrophobicContact CB-CE2 3.74Å; P242-F255 HydrophobicContact CB-CZ 3.7Å; P242-L256 WeakPolarHBondContact CA-O 3.46Å; P242-L332 HydrophobicContact CB-CD1 3.95Å; P242-L332 HydrophobicContact CG-CD1 4.21Å; P242-I333 PolarHBondContact O-N 3.33Å; P242-I333 VanDerWaalsContact O-N 3.15Å
243	I	95.4	Very high	94.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	124.7	-178.8	-54.1	-170.8	0	0	0	109.7	W241 F245 F255 L256 V259 I316 I333 L335	W241-I243 HydrophobicContact CB-CG1 4.3Å; I243-F245 HydrophobicContact CG2-CD2 4.4Å; I243-F245 HydrophobicContact CG2-CE1 4.24Å; I243-F245 HydrophobicContact CG2-CE2 4Å; I243-F245 HydrophobicContact CG2-CZ 3.91Å; I243-F255 WeakPolarHBondContact O-CD2 3.25Å; I243-L256 PolarHBondContact N-O 3.08Å; I243-L256 PolarHBondContact O-N 3.33Å; I243-V259 HydrophobicContact CB-CG2 4.49Å; I243-V259 HydrophobicContact CD1-CB 3.77Å; I243-V259 HydrophobicContact CD1-CG1 3.74Å; I243-V259 HydrophobicContact CD1-CG2 3.84Å; I243-V259 HydrophobicContact CG1-CB 4.11Å; I243-V259 HydrophobicContact CG1-CG2 3.98Å; I243-I316 HydrophobicContact CD1-CD1 3.47Å; I243-I316 VanDerWaalsContact CD1-CD1 3.47Å; I243-I316 HydrophobicContact CD1-CG1 3.89Å; I243-I333 WeakPolarHBondContact CA-O 3.33Å; I243-I333 HydrophobicContact CG1-CB 4.24Å; I243-I333 HydrophobicContact CG2-CG2 4.33Å; I243-L335 HydrophobicContact CG2-CD1 4.16Å
244	L	95	Very high	94.2	Very high	6 Å²	6	42.4 Å²	42.4	3%	0.031	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	114.1	172.1	-175.3	70.4	0	0	0	109.3	I221 M246 T253 F255 L332 I333 I334 L335	I221-L244 HydrophobicContact CD1-CD2 3.77Å; L244-M246 HydrophobicContact CD2-CG 4.14Å; L244-M246 HydrophobicContact CD2-SD 4.13Å; L244-M246 HydrophobicContact CG-CG 4.13Å; L244-T253 HydrophobicContact CD1-CG2 4.41Å; L244-F255 HydrophobicContact CB-CD2 4.38Å; L244-F255 HydrophobicContact CD1-CB 4.23Å; L244-F255 HydrophobicContact CD1-CD2 4.26Å; L244-L332 HydrophobicContact CB-CD1 4.1Å; L244-L332 HydrophobicContact CB-CD2 4.09Å; L244-L332 HydrophobicContact CB-CG 4.32Å; L244-L332 HydrophobicContact CD2-CD2 4.23Å; L244-I333 PolarHBondContact N-O 3.25Å; L244-I334 WeakPolarHBondContact O-CA 3.33Å; L244-L335 PolarHBondContact O-N 2.92Å
245	F	95.9	Very high	94.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	130.8	166.2	-65.9	-71.4	0	0	0	109.1	I243 Y247 T253 D254 L256 I265 C268 L269 V272 L335 V337	I243-F245 HydrophobicContact CG2-CD2 4.4Å; I243-F245 HydrophobicContact CG2-CE1 4.24Å; I243-F245 HydrophobicContact CG2-CE2 4Å; I243-F245 HydrophobicContact CG2-CZ 3.91Å; F245-Y247 HydrophobicContact CB-CE1 4.44Å; F245-T253 CarbonylContact O-C 3.56Å; F245-T253 WeakPolarHBondContact O-CA 3.37Å; F245-T253 WeakPolarHBondContact O-CB 3.48Å; F245-D254 HydrophobicContact CB-CB 4.38Å; F245-D254 PolarHBondContact N-O 3.09Å; F245-D254 PolarHBondContact O-N 2.96Å; F245-L256 HydrophobicContact CE2-CD1 3.81Å; F245-L256 HydrophobicContact CE2-CG 4.14Å; F245-I265 HydrophobicContact CE1-CG2 4.39Å; F245-C268 HydrophobicContact CE2-CB 4.14Å; F245-C268 HydrophobicContact CZ-CB 3.81Å; F245-L269 HydrophobicContact CD1-CD2 3.68Å; F245-L269 HydrophobicContact CD2-CD2 4.4Å; F245-L269 HydrophobicContact CE1-CD2 3.54Å; F245-L269 HydrophobicContact CE1-CG 3.93Å; F245-L269 HydrophobicContact CE2-CD2 4.27Å; F245-L269 HydrophobicContact CG-CD2 4.12Å; F245-L269 HydrophobicContact CZ-CD2 3.85Å; F245-L269 HydrophobicContact CZ-CG 4.02Å; F245-V272 HydrophobicContact CD2-CG2 4.04Å; F245-V272 HydrophobicContact CE2-CG2 4.21Å; F245-L335 CarbonylContact C-O 3.6Å; F245-L335 WeakPolarHBondContact CA-O 3.47Å; F245-L335 HydrophobicContact CD1-CB 3.83Å; F245-L335 HydrophobicContact CD1-CD1 4.41Å; F245-L335 HydrophobicContact CE1-CB 3.97Å; F245-L335 HydrophobicContact CE1-CD1 3.7Å; F245-L335 HydrophobicContact CE1-CG 4.46Å; F245-L335 HydrophobicContact CZ-CD1 4.39Å; F245-V337 HydrophobicContact CB-CG2 4.36Å; F245-V337 HydrophobicContact CD1-CG2 3.74Å; F245-V337 HydrophobicContact CG-CG2 4.42Å
246	M	95.5	Very high	94.3	Very high	48 Å²	48	37.9 Å²	37.9	24%	0.236	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	139.7	174	-56.2	-156.8	-53.7	0	0	109.5	L244 P248 T253 I334 L335 H336 V337	L244-M246 HydrophobicContact CD2-CG 4.14Å; L244-M246 HydrophobicContact CD2-SD 4.13Å; L244-M246 HydrophobicContact CG-CG 4.13Å; M246-P248 WeakPolarHBondContact O-CD 3.49Å; M246-T253 HydrophobicContact CB-CG2 4.42Å; M246-T253 HydrophobicContact CG-CG2 3.95Å; M246-T253 HydrophobicContact SD-CG2 4.4Å; M246-I334 HydrophobicContact CE-CG2 3.62Å; M246-I334 HydrophobicContact CG-CG2 3.89Å; M246-I334 HydrophobicContact SD-CG2 3.96Å; M246-L335 PolarHBondContact N-O 2.81Å; M246-H336 WeakPolarHBondContact CE-CE1 3.39Å; M246-H336 WeakPolarHBondContact CE-NE2 3.44Å; M246-H336 WeakPolarHBondContact O-CA 3.48Å; M246-V337 PolarHBondContact O-N 2.85Å
247	Y	95.3	Very high	94.2	Very high	1 Å²	1	39.1 Å²	39.1	0%	0.004	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	85.8	176.8	-45.5	-73.6	0	0	0	108	F245 E249 F250 G251 Q252 D254 V272 F273 W282 Y288 V337	F245-Y247 HydrophobicContact CB-CE1 4.44Å; Y247-E249 PolarHBondContact O-N 3.01Å; Y247-E249 VanDerWaalsContact O-N 3.15Å; Y247-F250 PolarHBondContact O-N 3.27Å; Y247-F250 VanDerWaalsContact O-N 3.12Å; Y247-G251 PolarHBondContact O-N 2.84Å; Y247-Q252 HydrophobicContact CD2-CB 3.8Å; Y247-Q252 WeakPolarHBondContact CD2-O 3.24Å; Y247-Q252 PolarHBondContact N-O 3.19Å; Y247-Q252 PolarHBondContact O-N 2.84Å; Y247-D254 HydrophobicContact CE2-CB 4.1Å; Y247-D254 WeakPolarHBondContact CE2-OD2 3.48Å; Y247-D254 VanDerWaalsContact CZ-OD2 3.23Å; Y247-D254 PolarHBondContact OH-OD2 2.51Å; Y247-V272 VanDerWaalsContact OH-CG1 3.23Å; Y247-V272 WeakPolarHBondContact OH-CG1 3.4Å; Y247-F273 HydrophobicContact CD1-CZ 4.32Å; Y247-F273 AromaticContact CE1-CE2 3.83Å; Y247-F273 HydrophobicContact CE1-CE2 3.83Å; Y247-F273 AromaticContact CE1-CZ 3.48Å; Y247-F273 HydrophobicContact CE1-CZ 3.48Å; Y247-F273 VanDerWaalsContact CE1-CZ 3.48Å; Y247-F273 AromaticContact CZ-CZ 3.71Å; Y247-W282 AromaticContact CD1-CH2 3.99Å; Y247-W282 HydrophobicContact CD1-CH2 3.99Å; Y247-W282 AromaticContact CD2-CH2 3.72Å; Y247-W282 HydrophobicContact CD2-CH2 3.72Å; Y247-W282 AromaticContact CD2-CZ2 3.74Å; Y247-W282 HydrophobicContact CD2-CZ2 3.74Å; Y247-W282 HydrophobicContact CE1-CH2 4.2Å; Y247-W282 AromaticContact CE2-CH2 3.93Å; Y247-W282 HydrophobicContact CE2-CH2 3.93Å; Y247-W282 AromaticContact CE2-CZ2 3.71Å; Y247-W282 HydrophobicContact CE2-CZ2 3.71Å; Y247-W282 AromaticContact CG-CH2 3.73Å; Y247-W282 HydrophobicContact CG-CH2 3.73Å; Y247-W282 HydrophobicContact CG-CZ2 4.25Å; Y247-W282 HydrophobicContact CG-CZ3 4.29Å; Y247-Y288 AromaticContact CD1-CD1 3.86Å; Y247-Y288 HydrophobicContact CD1-CD1 3.86Å; Y247-Y288 AromaticContact CD1-CE1 3.68Å; Y247-Y288 HydrophobicContact CD1-CE1 3.68Å; Y247-Y288 HydrophobicContact CE1-CD1 4.32Å; Y247-Y288 HydrophobicContact CG-CE1 4.43Å; Y247-V337 HydrophobicContact CD1-CB 3.81Å; Y247-V337 HydrophobicContact CD1-CG1 4.45Å; Y247-V337 HydrophobicContact CD1-CG2 4.38Å; Y247-V337 HydrophobicContact CE1-CB 3.79Å; Y247-V337 HydrophobicContact CE1-CG1 4.3Å; Y247-V337 HydrophobicContact CE1-CG2 3.94Å
248	P	94	Very high	94.4	Very high	39 Å²	39	41.9 Å²	41.9	25%	0.253	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-26.7	-168.5	-23.6	35.7	0	0	0	113.7	M246 F250 H336 I338 F345 W349	M246-P248 WeakPolarHBondContact O-CD 3.49Å; P248-F250 VanDerWaalsContact C-N 3.29Å; P248-F250 PolarHBondContact O-N 3.27Å; P248-H336 HydrophobicContact CG-CB 4.39Å; P248-I338 HydrophobicContact CG-CD1 3.81Å; P248-F345 HydrophobicContact CB-CZ 4.07Å; P248-W349 HydrophobicContact CB-CE3 4.21Å; P248-W349 HydrophobicContact CB-CH2 3.67Å; P248-W349 HydrophobicContact CB-CZ3 3.44Å; P248-W349 VanDerWaalsContact CB-CZ3 3.44Å; P248-W349 HydrophobicContact CG-CH2 3.6Å; P248-W349 HydrophobicContact CG-CZ2 4.15Å; P248-W349 HydrophobicContact CG-CZ3 3.91Å
249	E	92.8	Very high	94.5	Very high	45 Å²	45	38.4 Å²	38.4	21%	0.21	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-41.6	176	-176.2	176.5	-174.1	0	0	112.5	Y247 Y288 S342 F345	Y247-E249 PolarHBondContact O-N 3.01Å; Y247-E249 VanDerWaalsContact O-N 3.15Å; E249-Y288 WeakPolarHBondContact CB-OH 3.42Å; E249-Y288 WeakPolarHBondContact OE2-CE2 3.41Å; E249-Y288 PolarHBondContact OE2-OH 3.02Å; E249-S342 WeakPolarHBondContact OE1-CB 3.12Å; E249-S342 PolarHBondContact OE1-OG 3.1Å; E249-S342 WeakPolarHBondContact OE2-CB 3.42Å; E249-F345 HydrophobicContact CB-CD1 3.77Å; E249-F345 HydrophobicContact CB-CD2 4.2Å; E249-F345 HydrophobicContact CB-CE1 3.72Å; E249-F345 HydrophobicContact CB-CE2 4.15Å; E249-F345 HydrophobicContact CB-CG 4.03Å; E249-F345 HydrophobicContact CB-CZ 3.92Å; E249-F345 HydrophobicContact CG-CB 4.35Å; E249-F345 HydrophobicContact CG-CD1 4.07Å; E249-F345 HydrophobicContact CG-CD2 4.15Å; E249-F345 HydrophobicContact CG-CE1 4.49Å; E249-F345 HydrophobicContact CG-CG 3.9Å
250	F	93.2	Very high	94.6	Very high	72 Å²	72	40.8 Å²	40.8	32%	0.316	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-2.4	-175.6	-62.9	-62.2	0	0	0	113.3	Y247 P248 Q252 W282 L287 Y288	Y247-F250 PolarHBondContact O-N 3.27Å; Y247-F250 VanDerWaalsContact O-N 3.12Å; P248-F250 VanDerWaalsContact C-N 3.29Å; P248-F250 PolarHBondContact O-N 3.27Å; F250-Q252 HydrophobicContact CB-CB 4.43Å; F250-Q252 HydrophobicContact CB-CG 3.76Å; F250-Q252 PolarHBondContact O-N 3.25Å; F250-Q252 PolarHBondContact O-NE2 3.36Å; F250-W282 HydrophobicContact CB-CE3 4.29Å; F250-W282 AromaticContact CD2-CE3 3.49Å; F250-W282 HydrophobicContact CD2-CE3 3.49Å; F250-W282 VanDerWaalsContact CD2-CE3 3.49Å; F250-W282 AromaticContact CD2-CZ3 3.76Å; F250-W282 HydrophobicContact CD2-CZ3 3.76Å; F250-W282 HydrophobicContact CE2-CE3 4.05Å; F250-W282 HydrophobicContact CE2-CZ3 4.25Å; F250-W282 HydrophobicContact CG-CE3 4.1Å; F250-L287 HydrophobicContact CZ-CD1 4.13Å; F250-Y288 AromaticContact CD2-CE2 3.87Å; F250-Y288 HydrophobicContact CD2-CE2 3.87Å; F250-Y288 HydrophobicContact CE2-CD2 4.14Å; F250-Y288 AromaticContact CE2-CE2 3.56Å; F250-Y288 HydrophobicContact CE2-CE2 3.56Å
251	G	93	Very high	94.6	Very high	64 Å²	64	40 Å²	40	66%	0.66	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.1	28.2	-173.7	0	0	0	0	0	112.9	Y247	Y247-G251 PolarHBondContact O-N 2.84Å
252	Q	94.1	Very high	94.6	Very high	80 Å²	80	43.3 Å²	43.3	37%	0.374	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	159.8	-178.7	-62.5	-61.5	-41.8	0	0	110.5	Y247 F250 W282	Y247-Q252 HydrophobicContact CD2-CB 3.8Å; Y247-Q252 WeakPolarHBondContact CD2-O 3.24Å; Y247-Q252 PolarHBondContact N-O 3.19Å; Y247-Q252 PolarHBondContact O-N 2.84Å; F250-Q252 HydrophobicContact CB-CB 4.43Å; F250-Q252 HydrophobicContact CB-CG 3.76Å; F250-Q252 PolarHBondContact O-N 3.25Å; F250-Q252 PolarHBondContact O-NE2 3.36Å; Q252-W282 HydrophobicContact CB-CD2 4.16Å; Q252-W282 HydrophobicContact CB-CG 4.37Å; Q252-W282 HydrophobicContact CB-CZ2 4.45Å; Q252-W282 HydrophobicContact CG-CB 3.98Å; Q252-W282 HydrophobicContact CG-CD2 3.83Å; Q252-W282 HydrophobicContact CG-CE3 4.43Å; Q252-W282 HydrophobicContact CG-CG 3.61Å
253	T	93.9	Very high	94.7	Very high	56 Å²	56	44.9 Å²	44.9	34%	0.344	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	145.4	177	61.7	0	0	0	0	111.4	L244 F245 M246	L244-T253 HydrophobicContact CD1-CG2 4.41Å; F245-T253 CarbonylContact O-C 3.56Å; F245-T253 WeakPolarHBondContact O-CA 3.37Å; F245-T253 WeakPolarHBondContact O-CB 3.48Å; M246-T253 HydrophobicContact CB-CG2 4.42Å; M246-T253 HydrophobicContact CG-CG2 3.95Å; M246-T253 HydrophobicContact SD-CG2 4.4Å
254	D	93.6	Very high	94.8	Very high	51 Å²	51	47.8 Å²	47.8	27%	0.273	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	144.6	167.9	-78.2	-62.7	0	0	0	110.2	F245 Y247 V272	F245-D254 HydrophobicContact CB-CB 4.38Å; F245-D254 PolarHBondContact N-O 3.09Å; F245-D254 PolarHBondContact O-N 2.96Å; Y247-D254 HydrophobicContact CE2-CB 4.1Å; Y247-D254 WeakPolarHBondContact CE2-OD2 3.48Å; Y247-D254 VanDerWaalsContact CZ-OD2 3.23Å; Y247-D254 PolarHBondContact OH-OD2 2.51Å; D254-V272 HydrophobicContact CB-CG1 3.63Å; D254-V272 HydrophobicContact CB-CG2 4.21Å; D254-V272 WeakPolarHBondContact OD2-CG1 3.23Å
255	F	93.8	Very high	94.9	Very high	39 Å²	39	47.5 Å²	47.5	17%	0.171	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	119.7	-173.9	-177.6	-119.4	0	0	0	112.1	E225 V226 P242 I243 L244 R257 L332	E225-F255 HydrophobicContact CB-CD1 4.15Å; E225-F255 WeakPolarHBondContact O-CE1 3.19Å; V226-F255 HydrophobicContact CG2-CD2 4.16Å; V226-F255 HydrophobicContact CG2-CE2 4.1Å; V226-F255 HydrophobicContact CG2-CZ 4.4Å; P242-F255 HydrophobicContact CB-CE2 3.74Å; P242-F255 HydrophobicContact CB-CZ 3.7Å; I243-F255 WeakPolarHBondContact O-CD2 3.25Å; L244-F255 HydrophobicContact CB-CD2 4.38Å; L244-F255 HydrophobicContact CD1-CB 4.23Å; L244-F255 HydrophobicContact CD1-CD2 4.26Å; F255-R257 HydrophobicContact CD1-CG 3.99Å; F255-R257 HydrophobicContact CE1-CB 4.36Å; F255-R257 HydrophobicContact CE1-CG 3.72Å; F255-L332 HydrophobicContact CD2-CD1 4.45Å; F255-L332 HydrophobicContact CE2-CD1 3.72Å
256	L	94.3	Very high	94.8	Very high	28 Å²	28	48.3 Å²	48.3	15%	0.147	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	120	169.3	-59.6	-174	0	0	0	109.3	P242 I243 F245 V259 C268 L271 V272	P242-L256 WeakPolarHBondContact CA-O 3.46Å; I243-L256 PolarHBondContact N-O 3.08Å; I243-L256 PolarHBondContact O-N 3.33Å; F245-L256 HydrophobicContact CE2-CD1 3.81Å; F245-L256 HydrophobicContact CE2-CG 4.14Å; L256-V259 HydrophobicContact CB-CG2 3.67Å; L256-V259 HydrophobicContact CD1-CG2 3.89Å; L256-V259 HydrophobicContact CG-CG2 4.47Å; L256-C268 HydrophobicContact CD1-CB 3.65Å; L256-L271 HydrophobicContact CD1-CD1 4.47Å; L256-V272 HydrophobicContact CD2-CG2 4.02Å; L256-V272 HydrophobicContact CG-CG2 4.33Å
257	R	92.6	Very high	94.8	Very high	165 Å²	165	48.7 Å²	48.7	62%	0.623	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.1	-36.1	-173.4	-62	-170.5	-178.3	177.4	1.7	113.7	S229 F255	S229-R257 WeakPolarHBondContact OG-CB 3.49Å; S229-R257 WeakPolarHBondContact OG-CD 3.34Å; S229-R257 WeakPolarHBondContact OG-CG 3.5Å; F255-R257 HydrophobicContact CD1-CG 3.99Å; F255-R257 HydrophobicContact CE1-CB 4.36Å; F255-R257 HydrophobicContact CE1-CG 3.72Å
258	D	94.2	Very high	94.9	Very high	83 Å²	83	48.9 Å²	48.9	44%	0.444	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	105.5	-170.8	-172.2	-4.4	0	0	0	110.5	Y232 H240	Y232-D258 PolarHBondContact OH-OD2 2.92Å; H240-D258 WeakPolarHBondContact CB-OD1 3.25Å; H240-D258 IonicContact CE1-OD1 3.54Å; H240-D258 IonicContact CG-OD1 3.56Å; H240-D258 IonicContact ND1-OD1 2.69Å; H240-D258 PolarHBondContact ND1-OD1 3.45Å; H240-D258 IonicContact ND1-OD2 2.83Å
259	V	96.2	Very high	94.9	Very high	7 Å²	7	47 Å²	47	4%	0.042	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	114.8	177.6	-178.4	0	0	0	0	109.9	H240 W241 I243 L256 C268 I316	H240-V259 WeakPolarHBondContact CA-O 3.23Å; W241-V259 PolarHBondContact N-O 3.22Å; W241-V259 WeakPolarHBondContact O-CB 3.33Å; W241-V259 PolarHBondContact O-N 3.19Å; I243-V259 HydrophobicContact CB-CG2 4.49Å; I243-V259 HydrophobicContact CD1-CB 3.77Å; I243-V259 HydrophobicContact CD1-CG1 3.74Å; I243-V259 HydrophobicContact CD1-CG2 3.84Å; I243-V259 HydrophobicContact CG1-CB 4.11Å; I243-V259 HydrophobicContact CG1-CG2 3.98Å; L256-V259 HydrophobicContact CB-CG2 3.67Å; L256-V259 HydrophobicContact CD1-CG2 3.89Å; L256-V259 HydrophobicContact CG-CG2 4.47Å; V259-C268 WeakPolarHBondContact CG1-SG 3.47Å; V259-I316 HydrophobicContact CG1-CG1 3.96Å
260	I	96.7	Very high	94.9	Very high	50 Å²	50	49.8 Å²	49.8	26%	0.256	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	140.5	173.6	-169.4	170.5	0	0	0	111.3	K238 F239 S262 S263	K238-I260 HydrophobicContact CB-CD1 4.02Å; K238-I260 HydrophobicContact CB-CG1 4.05Å; K238-I260 HydrophobicContact CG-CD1 4.19Å; F239-I260 CarbonylContact O-C 3.38Å; F239-I260 WeakPolarHBondContact O-CA 3.19Å; I260-S262 PolarHBondContact O-N 3.46Å; I260-S263 WeakPolarHBondContact CG2-OG 3.48Å; I260-S263 VanDerWaalsContact O-CB 3.26Å; I260-S263 WeakPolarHBondContact O-CB 3.42Å; I260-S263 PolarHBondContact O-N 3.03Å; I260-S263 PolarHBondContact O-OG 3.45Å
261	E	95.9	Very high	94.9	Very high	5 Å²	5	52.7 Å²	52.7	2%	0.023	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-20.1	-173.7	66.4	171	161.1	0	0	114.5	R210 F239 S263 I316 K317	R210-E261 IonicContact NH1-OE1 3.09Å; F239-E261 HydrophobicContact CB-CB 4.06Å; F239-E261 HydrophobicContact CB-CG 4.2Å; F239-E261 PolarHBondContact N-OE1 3.05Å; F239-E261 WeakPolarHBondContact O-CB 3.38Å; F239-E261 PolarHBondContact O-N 3.45Å; E261-S263 VanDerWaalsContact C-N 3.33Å; E261-I316 PolarHBondContact O-N 3.18Å; E261-K317 HydrophobicContact CB-CB 4.1Å; E261-K317 HydrophobicContact CG-CB 4.35Å; E261-K317 VanDerWaalsContact O-CB 3.32Å; E261-K317 WeakPolarHBondContact O-CB 3.47Å; E261-K317 PolarHBondContact O-N 3.3Å; E261-K317 WeakPolarHBondContact OE2-CD 3.46Å; E261-K317 WeakPolarHBondContact OE2-CG 3.22Å
262	S	96.2	Very high	94.8	Very high	69 Å²	69	51 Å²	51	48%	0.483	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-15.5	176	49	0	0	0	0	113.7	I260	I260-S262 PolarHBondContact O-N 3.46Å
263	S	97.6	Very high	94.6	Very high	34 Å²	34	48.2 Å²	48.2	24%	0.238	25%	0.246	C	C	.	.	S	Bend	trans	-64.1	146.6	177.2	-64	0	0	0	0	111.3	I260 E261 T315 I316	I260-S263 WeakPolarHBondContact CG2-OG 3.48Å; I260-S263 VanDerWaalsContact O-CB 3.26Å; I260-S263 WeakPolarHBondContact O-CB 3.42Å; I260-S263 PolarHBondContact O-N 3.03Å; I260-S263 PolarHBondContact O-OG 3.45Å; E261-S263 VanDerWaalsContact C-N 3.33Å; S263-T315 CarbonylContact O-C 3.54Å; S263-T315 VanDerWaalsContact O-CA 3.27Å; S263-T315 WeakPolarHBondContact O-CA 3.49Å; S263-I316 PolarHBondContact O-N 3.44Å
264	M	97.1	Very high	94.2	Very high	61 Å²	61	48.4 Å²	48.4	30%	0.3	25%	0.245	S	C	.	.	B	Isolated β-bridge	trans	-85.4	147.7	171.4	-59.8	-173	-70.4	0	0	110.3	I266 D267 C268 C314 T315	M264-I266 HydrophobicContact CB-CG2 3.85Å; M264-I266 HydrophobicContact CE-CG2 4.29Å; M264-I266 PolarHBondContact O-N 3.33Å; M264-D267 WeakPolarHBondContact CE-OD2 3.33Å; M264-D267 PolarHBondContact O-N 3.03Å; M264-D267 VanDerWaalsContact O-N 3.1Å; M264-C268 PolarHBondContact O-N 3.38Å; M264-C268 VanDerWaalsContact O-N 3.11Å; M264-C268 PolarHBondContact O-SG 3.36Å; M264-C314 WeakPolarHBondContact CA-O 3.24Å; M264-T315 HydrophobicContact CG-CG2 4.14Å
265	I	96.5	Very high	93.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-57.2	-40	176	-64.6	168.7	0	0	0	110.2	F245 D267 C268 L269 V297 P312 C314 I316 L319 L335	F245-I265 HydrophobicContact CE1-CG2 4.39Å; I265-D267 VanDerWaalsContact C-N 3.31Å; I265-D267 PolarHBondContact O-N 2.94Å; I265-C268 VanDerWaalsContact O-CB 3.32Å; I265-C268 WeakPolarHBondContact O-CB 3.22Å; I265-C268 PolarHBondContact O-N 3.09Å; I265-L269 HydrophobicContact CG2-CD1 4.01Å; I265-L269 HydrophobicContact CG2-CG 4.41Å; I265-L269 WeakPolarHBondContact O-CG 3.38Å; I265-L269 PolarHBondContact O-N 2.87Å; I265-V297 HydrophobicContact CG2-CG1 4.17Å; I265-V297 HydrophobicContact CG2-CG2 4.17Å; I265-P312 WeakPolarHBondContact CB-O 3.41Å; I265-P312 PolarHBondContact N-O 2.95Å; I265-C314 HydrophobicContact CD1-CB 4.27Å; I265-C314 PolarHBondContact N-O 3.4Å; I265-I316 HydrophobicContact CG1-CD1 3.7Å; I265-L319 HydrophobicContact CD1-CB 4.46Å; I265-L319 HydrophobicContact CD1-CD1 4.41Å; I265-L319 HydrophobicContact CD1-CD2 4.12Å; I265-L335 HydrophobicContact CD1-CD1 4.25Å; I265-L335 HydrophobicContact CG1-CD1 4.2Å; I265-L335 HydrophobicContact CG2-CD1 4.07Å
266	I	95.2	Very high	93.4	Very high	17 Å²	17	56.5 Å²	56.5	9%	0.087	30%	0.295	C	S	.	.	H	α-helix	trans	-62.1	-38	178.6	-169.3	60.5	0	0	0	112.3	M264 C268 L269 K270 L290 P312	M264-I266 HydrophobicContact CB-CG2 3.85Å; M264-I266 HydrophobicContact CE-CG2 4.29Å; M264-I266 PolarHBondContact O-N 3.33Å; I266-C268 VanDerWaalsContact C-N 3.33Å; I266-L269 PolarHBondContact O-N 3.22Å; I266-K270 WeakPolarHBondContact O-CG 3.45Å; I266-K270 PolarHBondContact O-N 2.93Å; I266-L290 HydrophobicContact CD1-CB 4.25Å; I266-L290 HydrophobicContact CD1-CD1 4.26Å; I266-L290 HydrophobicContact CD1-CD2 3.98Å; I266-L290 HydrophobicContact CD1-CG 4.39Å; I266-P312 HydrophobicContact CB-CB 4.05Å; I266-P312 WeakPolarHBondContact CB-O 3.41Å; I266-P312 HydrophobicContact CD1-CB 4.16Å; I266-P312 PolarHBondContact N-O 3.49Å
267	D	95.5	Very high	93	Very high	57 Å²	57	61 Å²	61	31%	0.305	32%	0.315	S	S	.	.	H	α-helix	trans	-72	-33.4	178.1	-63.6	-32.5	0	0	0	111.1	M264 I265 K270 L271	M264-D267 WeakPolarHBondContact CE-OD2 3.33Å; M264-D267 PolarHBondContact O-N 3.03Å; M264-D267 VanDerWaalsContact O-N 3.1Å; I265-D267 VanDerWaalsContact C-N 3.31Å; I265-D267 PolarHBondContact O-N 2.94Å; D267-K270 PolarHBondContact O-N 3Å; D267-K270 IonicContact OD1-NZ 3.4Å; D267-K270 PolarHBondContact OD1-NZ 3.22Å; D267-L271 PolarHBondContact O-N 2.89Å
268	C	95.8	Very high	92.7	Very high	4 Å²	4	58.2 Å²	58.2	3%	0.027	32%	0.318	C	S	.	.	H	α-helix	trans	-62.9	-44.1	170.7	-58	0	0	0	0	110.9	F245 L256 V259 M264 I265 I266 K270 L271	F245-C268 HydrophobicContact CE2-CB 4.14Å; F245-C268 HydrophobicContact CZ-CB 3.81Å; L256-C268 HydrophobicContact CD1-CB 3.65Å; V259-C268 WeakPolarHBondContact CG1-SG 3.47Å; M264-C268 PolarHBondContact O-N 3.38Å; M264-C268 VanDerWaalsContact O-N 3.11Å; M264-C268 PolarHBondContact O-SG 3.36Å; I265-C268 VanDerWaalsContact O-CB 3.32Å; I265-C268 WeakPolarHBondContact O-CB 3.22Å; I265-C268 PolarHBondContact O-N 3.09Å; I266-C268 VanDerWaalsContact C-N 3.33Å; C268-K270 VanDerWaalsContact C-N 3.33Å; C268-K270 PolarHBondContact O-N 3.11Å; C268-L271 WeakPolarHBondContact O-CB 3.11Å; C268-L271 PolarHBondContact O-N 3.16Å
269	L	95	Very high	92.4	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-66.9	-31.3	177.4	-71.6	169	0	0	0	112.8	F245 I265 I266 L271 V272 F273 L290 I295 V297 V337	F245-L269 HydrophobicContact CD1-CD2 3.68Å; F245-L269 HydrophobicContact CD2-CD2 4.4Å; F245-L269 HydrophobicContact CE1-CD2 3.54Å; F245-L269 HydrophobicContact CE1-CG 3.93Å; F245-L269 HydrophobicContact CE2-CD2 4.27Å; F245-L269 HydrophobicContact CG-CD2 4.12Å; F245-L269 HydrophobicContact CZ-CD2 3.85Å; F245-L269 HydrophobicContact CZ-CG 4.02Å; I265-L269 HydrophobicContact CG2-CD1 4.01Å; I265-L269 HydrophobicContact CG2-CG 4.41Å; I265-L269 WeakPolarHBondContact O-CG 3.38Å; I265-L269 PolarHBondContact O-N 2.87Å; I266-L269 PolarHBondContact O-N 3.22Å; L269-L271 PolarHBondContact O-N 3.45Å; L269-V272 PolarHBondContact O-N 3.48Å; L269-V272 VanDerWaalsContact O-N 3.1Å; L269-F273 HydrophobicContact CD2-CD2 4.4Å; L269-F273 HydrophobicContact CD2-CE2 4.17Å; L269-F273 PolarHBondContact O-N 3.35Å; L269-L290 HydrophobicContact CB-CD1 4.3Å; L269-L290 HydrophobicContact CB-CD2 3.85Å; L269-L290 HydrophobicContact CD1-CD2 4.39Å; L269-I295 HydrophobicContact CD1-CD1 3.73Å; L269-V297 HydrophobicContact CD1-CG2 3.77Å; L269-V337 HydrophobicContact CD2-CG2 3.88Å
270	K	93.6	Very high	92.1	Very high	103 Å²	103	58.5 Å²	58.5	45%	0.448	33%	0.325	S	S	.	.	H	α-helix	trans	-63.7	-28.4	172.7	-72.5	171.5	-166.7	158.5	0	113	I266 D267 C268 V272 F273 D274 L290	I266-K270 WeakPolarHBondContact O-CG 3.45Å; I266-K270 PolarHBondContact O-N 2.93Å; D267-K270 PolarHBondContact O-N 3Å; D267-K270 IonicContact OD1-NZ 3.4Å; D267-K270 PolarHBondContact OD1-NZ 3.22Å; C268-K270 VanDerWaalsContact C-N 3.33Å; C268-K270 PolarHBondContact O-N 3.11Å; K270-V272 VanDerWaalsContact C-N 3.28Å; K270-F273 CarbonylContact O-C 3.35Å; K270-D274 WeakPolarHBondContact O-CA 3.46Å; K270-D274 PolarHBondContact O-N 3.46Å; K270-L290 HydrophobicContact CB-CD1 4.1Å; K270-L290 HydrophobicContact CG-CD1 3.44Å; K270-L290 VanDerWaalsContact CG-CD1 3.44Å
271	L	92.3	Very high	91.8	Very high	133 Å²	133	62.2 Å²	62.2	70%	0.696	35%	0.352	S	S	*	.	H	α-helix	trans	-71.8	-28.4	174.3	-62	173.9	0	0	0	111.8	L256 D267 C268 L269	L256-L271 HydrophobicContact CD1-CD1 4.47Å; D267-L271 PolarHBondContact O-N 2.89Å; C268-L271 WeakPolarHBondContact O-CB 3.11Å; C268-L271 PolarHBondContact O-N 3.16Å; L269-L271 PolarHBondContact O-N 3.45Å
272	V	91.6	Very high	91.7	Very high	29 Å²	29	64.2 Å²	64.2	18%	0.176	36%	0.359	C	S	.	.	H	α-helix	trans	-86.5	-46.2	-179.9	-178.9	0	0	0	0	111	F245 Y247 D254 L256 L269 K270	F245-V272 HydrophobicContact CD2-CG2 4.04Å; F245-V272 HydrophobicContact CE2-CG2 4.21Å; Y247-V272 VanDerWaalsContact OH-CG1 3.23Å; Y247-V272 WeakPolarHBondContact OH-CG1 3.4Å; D254-V272 HydrophobicContact CB-CG1 3.63Å; D254-V272 HydrophobicContact CB-CG2 4.21Å; D254-V272 WeakPolarHBondContact OD2-CG1 3.23Å; L256-V272 HydrophobicContact CD2-CG2 4.02Å; L256-V272 HydrophobicContact CG-CG2 4.33Å; L269-V272 PolarHBondContact O-N 3.48Å; L269-V272 VanDerWaalsContact O-N 3.1Å; K270-V272 VanDerWaalsContact C-N 3.28Å
273	F	90	Very high	91.4	Very high	21 Å²	21	61 Å²	61	9%	0.092	34%	0.337	C	S	.	.	S	Bend	trans	-103.7	62.4	176.1	-59.3	-72.7	0	0	0	110.3	Y247 L269 K270 V275 P280 W282 Y288 L290	Y247-F273 HydrophobicContact CD1-CZ 4.32Å; Y247-F273 AromaticContact CE1-CE2 3.83Å; Y247-F273 HydrophobicContact CE1-CE2 3.83Å; Y247-F273 AromaticContact CE1-CZ 3.48Å; Y247-F273 HydrophobicContact CE1-CZ 3.48Å; Y247-F273 VanDerWaalsContact CE1-CZ 3.48Å; Y247-F273 AromaticContact CZ-CZ 3.71Å; L269-F273 HydrophobicContact CD2-CD2 4.4Å; L269-F273 HydrophobicContact CD2-CE2 4.17Å; L269-F273 PolarHBondContact O-N 3.35Å; K270-F273 CarbonylContact O-C 3.35Å; F273-V275 PolarHBondContact O-N 3.27Å; F273-P280 HydrophobicContact CD1-CG 4.32Å; F273-P280 HydrophobicContact CE1-CG 4.14Å; F273-W282 AromaticContact CE1-CH2 3.89Å; F273-W282 HydrophobicContact CE1-CH2 3.89Å; F273-W282 HydrophobicContact CE1-CZ2 4.31Å; F273-W282 AromaticContact CZ-CH2 3.97Å; F273-W282 HydrophobicContact CZ-CH2 3.97Å; F273-Y288 HydrophobicContact CZ-CD1 4.2Å; F273-Y288 HydrophobicContact CZ-CG 4.26Å; F273-L290 HydrophobicContact CB-CD1 4.43Å; F273-L290 HydrophobicContact CB-CG 4.4Å; F273-L290 HydrophobicContact CD2-CD2 4.36Å
274	D	85.4	Confident	91	Very high	60 Å²	60	64.3 Å²	64.3	32%	0.321	36%	0.358	S	S	.	.			trans	-68	118.7	175.1	-178.4	4.8	0	0	0	109.7	K270 N276 Q277	K270-D274 WeakPolarHBondContact O-CA 3.46Å; K270-D274 PolarHBondContact O-N 3.46Å; D274-N276 PolarHBondContact O-N 3.09Å; D274-N276 VanDerWaalsContact O-N 3.12Å; D274-N276 WeakPolarHBondContact OD1-CB 3.21Å; D274-N276 PolarHBondContact OD1-N 3.35Å; D274-N276 PolarHBondContact OD1-ND2 3.22Å; D274-Q277 HydrophobicContact CB-CB 4.24Å; D274-Q277 HydrophobicContact CB-CG 3.95Å; D274-Q277 PolarHBondContact O-N 3.24Å
275	V	83.2	Confident	90.6	Very high	122 Å²	122	69.5 Å²	69.5	74%	0.739	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-21	179.1	-177.7	0	0	0	0	112	F273 Q277	F273-V275 PolarHBondContact O-N 3.27Å; V275-Q277 VanDerWaalsContact C-N 3.33Å
276	N	86.1	Confident	90.3	Very high	139 Å²	139	74 Å²	74	74%	0.743	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-6	177.6	-53.1	-70.4	0	0	0	113.3	D274	D274-N276 PolarHBondContact O-N 3.09Å; D274-N276 VanDerWaalsContact O-N 3.12Å; D274-N276 WeakPolarHBondContact OD1-CB 3.21Å; D274-N276 PolarHBondContact OD1-N 3.35Å; D274-N276 PolarHBondContact OD1-ND2 3.22Å
277	Q	86.4	Confident	90.1	Very high	123 Å²	123	74.5 Å²	74.5	58%	0.575	41%	0.405	S	S	*	.	S	Bend	trans	-105.5	151.8	176.3	-65.5	-58.1	-46.4	0	0	110.7	D274 V275	D274-Q277 HydrophobicContact CB-CB 4.24Å; D274-Q277 HydrophobicContact CB-CG 3.95Å; D274-Q277 PolarHBondContact O-N 3.24Å; V275-Q277 VanDerWaalsContact C-N 3.33Å
278	P	87.1	Confident	90	Very high	106 Å²	106	72.2 Å²	72.2	69%	0.688	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-58.2	144.8	170.1	25.7	-33.4	0	0	0	110.1
279	P	86.7	Confident	89.6	Confident	66 Å²	66	73 Å²	73	43%	0.429	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-61.6	155.7	-179.3	28.3	-37.1	0	0	0	111.5	L286	P279-L286 HydrophobicContact CB-CD2 3.37Å; P279-L286 HydrophobicContact CG-CD2 3.71Å
280	P	89.7	Confident	89.3	Confident	29 Å²	29	75.2 Å²	75.2	19%	0.188	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-55	140.4	176.3	-23.6	33	0	0	0	111.4	F273 W282 D283	F273-P280 HydrophobicContact CD1-CG 4.32Å; F273-P280 HydrophobicContact CE1-CG 4.14Å; P280-W282 HydrophobicContact CB-CD2 3.87Å; P280-W282 HydrophobicContact CB-CG 4.11Å; P280-W282 HydrophobicContact CB-CZ2 3.77Å; P280-W282 VanDerWaalsContact CB-NE1 3.35Å; P280-W282 HydrophobicContact CG-CH2 4.47Å; P280-W282 HydrophobicContact CG-CZ2 3.87Å; P280-W282 PolarHBondContact O-N 3.08Å; P280-D283 PolarHBondContact O-N 2.98Å
281	P	91	Very high	89	Confident	129 Å²	129	76 Å²	76	84%	0.838	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-23.9	-177.5	-26.2	34	0	0	0	114.4
282	W	92.8	Very high	88.7	Confident	46 Å²	46	76.1 Å²	76.1	17%	0.174	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-12.1	179.1	53.5	-104.5	0	0	0	113.8	Y247 F250 Q252 F273 P280 P284 Y288	Y247-W282 AromaticContact CD1-CH2 3.99Å; Y247-W282 HydrophobicContact CD1-CH2 3.99Å; Y247-W282 AromaticContact CD2-CH2 3.72Å; Y247-W282 HydrophobicContact CD2-CH2 3.72Å; Y247-W282 AromaticContact CD2-CZ2 3.74Å; Y247-W282 HydrophobicContact CD2-CZ2 3.74Å; Y247-W282 HydrophobicContact CE1-CH2 4.2Å; Y247-W282 AromaticContact CE2-CH2 3.93Å; Y247-W282 HydrophobicContact CE2-CH2 3.93Å; Y247-W282 AromaticContact CE2-CZ2 3.71Å; Y247-W282 HydrophobicContact CE2-CZ2 3.71Å; Y247-W282 AromaticContact CG-CH2 3.73Å; Y247-W282 HydrophobicContact CG-CH2 3.73Å; Y247-W282 HydrophobicContact CG-CZ2 4.25Å; Y247-W282 HydrophobicContact CG-CZ3 4.29Å; F250-W282 HydrophobicContact CB-CE3 4.29Å; F250-W282 AromaticContact CD2-CE3 3.49Å; F250-W282 HydrophobicContact CD2-CE3 3.49Å; F250-W282 VanDerWaalsContact CD2-CE3 3.49Å; F250-W282 AromaticContact CD2-CZ3 3.76Å; F250-W282 HydrophobicContact CD2-CZ3 3.76Å; F250-W282 HydrophobicContact CE2-CE3 4.05Å; F250-W282 HydrophobicContact CE2-CZ3 4.25Å; F250-W282 HydrophobicContact CG-CE3 4.1Å; Q252-W282 HydrophobicContact CB-CD2 4.16Å; Q252-W282 HydrophobicContact CB-CG 4.37Å; Q252-W282 HydrophobicContact CB-CZ2 4.45Å; Q252-W282 HydrophobicContact CG-CB 3.98Å; Q252-W282 HydrophobicContact CG-CD2 3.83Å; Q252-W282 HydrophobicContact CG-CE3 4.43Å; Q252-W282 HydrophobicContact CG-CG 3.61Å; F273-W282 AromaticContact CE1-CH2 3.89Å; F273-W282 HydrophobicContact CE1-CH2 3.89Å; F273-W282 HydrophobicContact CE1-CZ2 4.31Å; F273-W282 AromaticContact CZ-CH2 3.97Å; F273-W282 HydrophobicContact CZ-CH2 3.97Å; P280-W282 HydrophobicContact CB-CD2 3.87Å; P280-W282 HydrophobicContact CB-CG 4.11Å; P280-W282 HydrophobicContact CB-CZ2 3.77Å; P280-W282 VanDerWaalsContact CB-NE1 3.35Å; P280-W282 HydrophobicContact CG-CH2 4.47Å; P280-W282 HydrophobicContact CG-CZ2 3.87Å; P280-W282 PolarHBondContact O-N 3.08Å; W282-P284 WeakPolarHBondContact O-CD 3.47Å; W282-Y288 HydrophobicContact CH2-CG 4.4Å; W282-Y288 AromaticContact CZ3-CD2 3.87Å; W282-Y288 HydrophobicContact CZ3-CD2 3.87Å; W282-Y288 HydrophobicContact CZ3-CE2 4.22Å; W282-Y288 HydrophobicContact CZ3-CG 4.19Å
283	D	91.9	Very high	88.5	Confident	2 Å²	2	80 Å²	80	1%	0.011	44%	0.436	C	S	.	.			trans	-119.5	64.2	174.7	-172.6	24.2	0	0	0	112.9	P280 K285 L286 L287 Y288	P280-D283 PolarHBondContact O-N 2.98Å; D283-K285 PolarHBondContact O-N 2.93Å; D283-L286 PolarHBondContact O-N 3.41Å; D283-L286 PolarHBondContact OD1-N 3.35Å; D283-L286 WeakPolarHBondContact OD2-CA 3.44Å; D283-L287 VanDerWaalsContact CG-N 3.32Å; D283-L287 WeakPolarHBondContact OD1-CB 3.47Å; D283-L287 PolarHBondContact OD1-N 3.4Å; D283-L287 PolarHBondContact OD2-N 3.25Å; D283-Y288 WeakPolarHBondContact OD2-CB 3.31Å; D283-Y288 PolarHBondContact OD2-N 2.89Å
284	P	87.3	Confident	88.6	Confident	104 Å²	104	79.2 Å²	79.2	68%	0.675	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-17.7	-179.4	28.9	-36.4	0	0	0	113.4	W282	W282-P284 WeakPolarHBondContact O-CD 3.47Å
285	K	90	Very high	89	Confident	170 Å²	170	76.8 Å²	76.8	74%	0.739	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	1.6	-178.4	-69.1	-178.8	-176.4	175.8	0	112.9	D283 L287	D283-K285 PolarHBondContact O-N 2.93Å; K285-L287 HydrophobicContact CB-CD2 4.01Å; K285-L287 HydrophobicContact CB-CG 3.92Å; K285-L287 PolarHBondContact O-N 3.47Å
286	L	90	Very high	89.5	Confident	94 Å²	94	71.6 Å²	71.6	49%	0.492	39%	0.388	S	S	.	.			trans	53.3	42.2	-177.4	-56.2	175.5	0	0	0	111.8	P279 D283 Y288 R341	P279-L286 HydrophobicContact CB-CD2 3.37Å; P279-L286 HydrophobicContact CG-CD2 3.71Å; D283-L286 PolarHBondContact O-N 3.41Å; D283-L286 PolarHBondContact OD1-N 3.35Å; D283-L286 WeakPolarHBondContact OD2-CA 3.44Å; L286-Y288 VanDerWaalsContact C-N 3.26Å; L286-R341 PolarHBondContact O-NH1 3.27Å
287	L	91.3	Very high	90	Very high	28 Å²	28	65 Å²	65	15%	0.147	35%	0.352	C	S	.	.			trans	-67.4	-35	175.7	-58.8	-179.8	0	0	0	109.9	F250 D283 K285 S289 S339 R341	F250-L287 HydrophobicContact CZ-CD1 4.13Å; D283-L287 VanDerWaalsContact CG-N 3.32Å; D283-L287 WeakPolarHBondContact OD1-CB 3.47Å; D283-L287 PolarHBondContact OD1-N 3.4Å; D283-L287 PolarHBondContact OD2-N 3.25Å; K285-L287 HydrophobicContact CB-CD2 4.01Å; K285-L287 HydrophobicContact CB-CG 3.92Å; K285-L287 PolarHBondContact O-N 3.47Å; L287-S289 PolarHBondContact O-N 2.86Å; L287-S339 VanDerWaalsContact O-CB 3.31Å; L287-S339 WeakPolarHBondContact O-CB 3.37Å; L287-S339 PolarHBondContact O-OG 3.46Å; L287-R341 HydrophobicContact CB-CB 4.49Å; L287-R341 HydrophobicContact CD2-CB 3.93Å
288	Y	92.1	Very high	90.5	Very high	8 Å²	8	59.2 Å²	59.2	3%	0.031	33%	0.325	C	S	.	.	S	Bend	trans	-93.6	94	177.7	-67.5	-102.3	0	0	0	108.6	Y247 E249 F250 F273 W282 D283 L286 I295 V337	Y247-Y288 AromaticContact CD1-CD1 3.86Å; Y247-Y288 HydrophobicContact CD1-CD1 3.86Å; Y247-Y288 AromaticContact CD1-CE1 3.68Å; Y247-Y288 HydrophobicContact CD1-CE1 3.68Å; Y247-Y288 HydrophobicContact CE1-CD1 4.32Å; Y247-Y288 HydrophobicContact CG-CE1 4.43Å; E249-Y288 WeakPolarHBondContact CB-OH 3.42Å; E249-Y288 WeakPolarHBondContact OE2-CE2 3.41Å; E249-Y288 PolarHBondContact OE2-OH 3.02Å; F250-Y288 AromaticContact CD2-CE2 3.87Å; F250-Y288 HydrophobicContact CD2-CE2 3.87Å; F250-Y288 HydrophobicContact CE2-CD2 4.14Å; F250-Y288 AromaticContact CE2-CE2 3.56Å; F250-Y288 HydrophobicContact CE2-CE2 3.56Å; F273-Y288 HydrophobicContact CZ-CD1 4.2Å; F273-Y288 HydrophobicContact CZ-CG 4.26Å; W282-Y288 HydrophobicContact CH2-CG 4.4Å; W282-Y288 AromaticContact CZ3-CD2 3.87Å; W282-Y288 HydrophobicContact CZ3-CD2 3.87Å; W282-Y288 HydrophobicContact CZ3-CE2 4.22Å; W282-Y288 HydrophobicContact CZ3-CG 4.19Å; D283-Y288 WeakPolarHBondContact OD2-CB 3.31Å; D283-Y288 PolarHBondContact OD2-N 2.89Å; L286-Y288 VanDerWaalsContact C-N 3.26Å; Y288-I295 HydrophobicContact CD1-CG2 4.32Å; Y288-V337 HydrophobicContact CD1-CG1 3.99Å; Y288-V337 HydrophobicContact CE1-CB 4.44Å; Y288-V337 HydrophobicContact CE1-CG1 4.16Å; Y288-V337 WeakPolarHBondContact CE1-O 3.35Å
289	S	89.2	Confident	90.9	Very high	22 Å²	22	54.2 Å²	54.2	15%	0.154	29%	0.293	C	S	.	.			trans	-126.4	147.2	173.9	177.1	0	0	0	0	110.2	L287 E291 I295	L287-S289 PolarHBondContact O-N 2.86Å; S289-E291 WeakPolarHBondContact OG-CB 3.45Å; S289-E291 PolarHBondContact OG-N 3.03Å; S289-E291 VanDerWaalsContact OG-N 3.11Å; S289-I295 WeakPolarHBondContact O-CG2 3.48Å
290	L	88.2	Confident	91.2	Very high	45 Å²	45	54.6 Å²	54.6	24%	0.236	29%	0.289	C	S	.	.	S	Bend	trans	-83.3	-3.2	173.8	-53.6	-176	0	0	0	112.6	I266 L269 K270 F273 I295	I266-L290 HydrophobicContact CD1-CB 4.25Å; I266-L290 HydrophobicContact CD1-CD1 4.26Å; I266-L290 HydrophobicContact CD1-CD2 3.98Å; I266-L290 HydrophobicContact CD1-CG 4.39Å; L269-L290 HydrophobicContact CB-CD1 4.3Å; L269-L290 HydrophobicContact CB-CD2 3.85Å; L269-L290 HydrophobicContact CD1-CD2 4.39Å; K270-L290 HydrophobicContact CB-CD1 4.1Å; K270-L290 HydrophobicContact CG-CD1 3.44Å; K270-L290 VanDerWaalsContact CG-CD1 3.44Å; F273-L290 HydrophobicContact CB-CD1 4.43Å; F273-L290 HydrophobicContact CB-CG 4.4Å; F273-L290 HydrophobicContact CD2-CD2 4.36Å; L290-I295 HydrophobicContact CD2-CD1 3.36Å; L290-I295 HydrophobicContact CD2-CG1 4.25Å
291	E	86.1	Confident	91.3	Very high	119 Å²	119	53.7 Å²	53.7	56%	0.556	28%	0.282	S	S	*	.	S	Bend	trans	-89.3	162.3	177.3	-59	178.7	161.3	0	0	111.5	S289 D293 A294	S289-E291 WeakPolarHBondContact OG-CB 3.45Å; S289-E291 PolarHBondContact OG-N 3.03Å; S289-E291 VanDerWaalsContact OG-N 3.11Å; E291-D293 PolarHBondContact O-N 3.23Å; E291-A294 WeakPolarHBondContact O-CB 3.4Å; E291-A294 PolarHBondContact O-N 2.99Å
292	D	86.1	Confident	91	Very high	137 Å²	137	49.3 Å²	49.3	73%	0.733	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	24.4	171.7	-48.9	-44	0	0	0	116.4	A294 R341	D292-A294 PolarHBondContact O-N 2.89Å; D292-A294 VanDerWaalsContact O-N 3.16Å; D292-R341 IonicContact OD2-NH2 2.63Å; D292-R341 PolarHBondContact OD2-NH2 3.18Å; D292-R341 VanDerWaalsContact OD2-NH2 3.09Å
293	D	87.9	Confident	90.7	Very high	110 Å²	110	55.8 Å²	55.8	59%	0.588	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	31.7	-175.1	-170.7	44.5	0	0	0	112.3	E291 I295 K340	E291-D293 PolarHBondContact O-N 3.23Å; D293-I295 VanDerWaalsContact C-N 3.27Å; D293-I295 PolarHBondContact O-N 3.19Å; D293-K340 VanDerWaalsContact O-CD 3.24Å; D293-K340 WeakPolarHBondContact O-CD 3.41Å; D293-K340 WeakPolarHBondContact O-CE 3.17Å; D293-K340 PolarHBondContact O-NZ 3.16Å; D293-K340 IonicContact OD1-NZ 3.02Å; D293-K340 PolarHBondContact OD1-NZ 3.34Å; D293-K340 IonicContact OD2-NZ 3.75Å; D293-K340 PolarHBondContact OD2-NZ 2.85Å
294	A	91.5	Very high	90.5	Very high	5 Å²	5	61.7 Å²	61.7	4%	0.041	31%	0.31	C	S	.	.			trans	-71	-17.3	-172.1	0	0	0	0	0	114.2	E291 D292 S339 K340 R341	E291-A294 WeakPolarHBondContact O-CB 3.4Å; E291-A294 PolarHBondContact O-N 2.99Å; D292-A294 PolarHBondContact O-N 2.89Å; D292-A294 VanDerWaalsContact O-N 3.16Å; A294-S339 CarbonylContact O-C 3.51Å; A294-S339 WeakPolarHBondContact O-CA 2.98Å; A294-K340 PolarHBondContact O-N 3.46Å; A294-R341 HydrophobicContact CB-CG 4.02Å
295	I	93.7	Very high	90.4	Very high	8 Å²	8	61.6 Å²	61.6	4%	0.041	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	149.5	-179.2	60.6	157.8	0	0	0	112.3	L269 Y288 S289 L290 D293 V337 I338	L269-I295 HydrophobicContact CD1-CD1 3.73Å; Y288-I295 HydrophobicContact CD1-CG2 4.32Å; S289-I295 WeakPolarHBondContact O-CG2 3.48Å; L290-I295 HydrophobicContact CD2-CD1 3.36Å; L290-I295 HydrophobicContact CD2-CG1 4.25Å; D293-I295 VanDerWaalsContact C-N 3.27Å; D293-I295 PolarHBondContact O-N 3.19Å; I295-V337 HydrophobicContact CB-CG1 4.13Å; I295-V337 HydrophobicContact CD1-CG1 4.02Å; I295-V337 HydrophobicContact CG2-CG1 4.28Å; I295-I338 CarbonylContact C-O 3.5Å; I295-I338 WeakPolarHBondContact CA-O 3.45Å
296	E	95.2	Very high	90.5	Very high	13 Å²	13	58.1 Å²	58.1	6%	0.061	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	145.6	168.5	-75.6	178.2	169.6	0	0	109.8	Y298 L309 V337 I338 K340 Y346 R350	E296-Y298 HydrophobicContact CB-CD2 4.17Å; E296-Y298 HydrophobicContact CB-CE2 3.4Å; E296-Y298 VanDerWaalsContact CB-CE2 3.4Å; E296-Y298 HydrophobicContact CG-CE2 4.47Å; E296-Y298 PolarHBondContact OE2-OH 3.48Å; E296-L309 HydrophobicContact CB-CD1 3.67Å; E296-L309 HydrophobicContact CG-CD1 3.77Å; E296-V337 WeakPolarHBondContact O-CA 3.25Å; E296-I338 PolarHBondContact N-O 3.21Å; E296-I338 PolarHBondContact O-N 3.12Å; E296-K340 HydrophobicContact CG-CG 4.47Å; E296-K340 WeakPolarHBondContact OE1-CE 3.4Å; E296-K340 IonicContact OE1-NZ 3.9Å; E296-K340 PolarHBondContact OE1-NZ 3.17Å; E296-Y346 PolarHBondContact OE1-OH 3.01Å; E296-Y346 VanDerWaalsContact OE2-CE2 3.27Å; E296-Y346 WeakPolarHBondContact OE2-CE2 3.38Å; E296-Y346 PolarHBondContact OE2-OH 3.19Å; E296-R350 VanDerWaalsContact CD-NH2 3.32Å; E296-R350 IonicContact OE1-NH2 3.36Å; E296-R350 PolarHBondContact OE1-NH2 3.04Å; E296-R350 IonicContact OE2-CZ 3.67Å; E296-R350 IonicContact OE2-NE 2.66Å; E296-R350 IonicContact OE2-NH2 3.8Å; E296-R350 PolarHBondContact OE2-NH2 2.72Å
297	V	96.3	Very high	90.7	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	134.7	179.2	-172.4	0	0	0	0	108.7	I265 L269 C310 P312 L335 H336	I265-V297 HydrophobicContact CG2-CG1 4.17Å; I265-V297 HydrophobicContact CG2-CG2 4.17Å; L269-V297 HydrophobicContact CD1-CG2 3.77Å; V297-C310 VanDerWaalsContact CG1-SG 3.6Å; V297-C310 PolarHBondContact O-N 3.47Å; V297-C310 PolarHBondContact O-SG 3.34Å; V297-P312 HydrophobicContact CG2-CG 4.07Å; V297-L335 HydrophobicContact CG1-CB 3.86Å; V297-L335 HydrophobicContact CG1-CD1 4.17Å; V297-L335 HydrophobicContact CG1-CD2 4.06Å; V297-L335 HydrophobicContact CG1-CG 4.25Å; V297-H336 CarbonylContact C-O 3.48Å; V297-H336 WeakPolarHBondContact CA-O 3.42Å
298	Y	96.5	Very high	90.8	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.008	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	151.2	-176.2	-68.6	-93.6	0	0	0	111.2	E296 F307 I308 L309 L335 H336 I338 I354	E296-Y298 HydrophobicContact CB-CD2 4.17Å; E296-Y298 HydrophobicContact CB-CE2 3.4Å; E296-Y298 VanDerWaalsContact CB-CE2 3.4Å; E296-Y298 HydrophobicContact CG-CE2 4.47Å; E296-Y298 PolarHBondContact OE2-OH 3.48Å; Y298-F307 HydrophobicContact CD1-CB 3.96Å; Y298-F307 HydrophobicContact CG-CB 4.36Å; Y298-I308 VanDerWaalsContact CA-O 3.28Å; Y298-I308 WeakPolarHBondContact CA-O 3.12Å; Y298-I308 VanDerWaalsContact CD1-C 3.46Å; Y298-L309 HydrophobicContact CD1-CB 4.15Å; Y298-L309 HydrophobicContact CE1-CB 3.65Å; Y298-L309 HydrophobicContact CE1-CD1 4.02Å; Y298-L309 HydrophobicContact CE1-CG 4.44Å; Y298-L309 HydrophobicContact CE2-CD1 4.06Å; Y298-L335 WeakPolarHBondContact O-CA 3.45Å; Y298-H336 PolarHBondContact N-O 3.45Å; Y298-H336 PolarHBondContact O-N 3.25Å; Y298-I338 HydrophobicContact CD2-CB 4.48Å; Y298-I338 HydrophobicContact CD2-CG1 3.86Å; Y298-I338 HydrophobicContact CE2-CB 4.34Å; Y298-I338 HydrophobicContact CE2-CG1 4.11Å; Y298-I354 HydrophobicContact CD1-CD1 4.37Å; Y298-I354 HydrophobicContact CD1-CG1 4.48Å; Y298-I354 HydrophobicContact CE1-CD1 3.38Å; Y298-I354 HydrophobicContact CE1-CG1 3.9Å; Y298-I354 VanDerWaalsContact OH-CD1 3.27Å; Y298-I354 WeakPolarHBondContact OH-CD1 3.45Å
299	F	95	Very high	90.9	Very high	2 Å²	2	59.6 Å²	59.6	1%	0.009	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	153.9	162.5	69.9	-89	0	0	0	109.7	F307 I308 C310 L319 Q322 F325 L335	F299-F307 CarbonylContact O-C 3.53Å; F299-F307 WeakPolarHBondContact O-CA 3.33Å; F299-I308 HydrophobicContact CD1-CB 4.19Å; F299-I308 HydrophobicContact CD1-CG2 4.48Å; F299-I308 HydrophobicContact CE1-CB 3.6Å; F299-I308 HydrophobicContact CE1-CD1 4.48Å; F299-I308 HydrophobicContact CE1-CG2 3.57Å; F299-I308 HydrophobicContact CE2-CB 4.03Å; F299-I308 HydrophobicContact CE2-CD1 3.72Å; F299-I308 HydrophobicContact CE2-CG1 4.33Å; F299-I308 HydrophobicContact CZ-CB 3.53Å; F299-I308 HydrophobicContact CZ-CD1 3.55Å; F299-I308 HydrophobicContact CZ-CG1 4.1Å; F299-I308 HydrophobicContact CZ-CG2 3.68Å; F299-I308 PolarHBondContact N-O 3.42Å; F299-I308 VanDerWaalsContact N-O 3.09Å; F299-I308 PolarHBondContact O-N 3.32Å; F299-C310 HydrophobicContact CD1-CB 4.19Å; F299-C310 HydrophobicContact CE1-CB 4.43Å; F299-L319 HydrophobicContact CD1-CD1 4.01Å; F299-L319 HydrophobicContact CE1-CD1 4.5Å; F299-Q322 HydrophobicContact CE1-CB 4.37Å; F299-Q322 HydrophobicContact CZ-CB 4.23Å; F299-F325 HydrophobicContact CB-CD2 3.9Å; F299-F325 HydrophobicContact CB-CE2 4.01Å; F299-F325 HydrophobicContact CD1-CD2 4.01Å; F299-F325 HydrophobicContact CD2-CB 4.08Å; F299-F325 AromaticContact CD2-CD2 3.55Å; F299-F325 HydrophobicContact CD2-CD2 3.55Å; F299-F325 HydrophobicContact CD2-CE2 4.44Å; F299-F325 HydrophobicContact CD2-CG 4.24Å; F299-F325 HydrophobicContact CE1-CD2 4.43Å; F299-F325 VanDerWaalsContact CE2-CA 3.49Å; F299-F325 HydrophobicContact CE2-CB 3.69Å; F299-F325 HydrophobicContact CE2-CD2 4.01Å; F299-F325 HydrophobicContact CE2-CG 4.34Å; F299-F325 AromaticContact CG-CD2 3.54Å; F299-F325 HydrophobicContact CG-CD2 3.54Å; F299-F325 HydrophobicContact CG-CE2 4.16Å; F299-F325 HydrophobicContact CZ-CB 4.01Å; F299-F325 HydrophobicContact CZ-CD2 4.41Å; F299-L335 HydrophobicContact CB-CD2 4.28Å
300	E	93.1	Very high	91.1	Very high	73 Å²	73	58.5 Å²	58.5	34%	0.341	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	121.9	176.3	-169.2	-168.8	152.5	0	0	109.9	D302 K305 F307	E300-D302 PolarHBondContact O-N 2.76Å; E300-K305 WeakPolarHBondContact OE1-CD 3.47Å; E300-K305 IonicContact OE1-NZ 3.91Å; E300-K305 PolarHBondContact OE1-NZ 2.85Å; E300-F307 HydrophobicContact CB-CD1 4.42Å; E300-F307 HydrophobicContact CB-CE1 4.03Å; E300-F307 HydrophobicContact CB-CZ 4.37Å; E300-F307 HydrophobicContact CG-CE1 4.49Å; E300-F307 HydrophobicContact CG-CZ 4.37Å
301	H	92.1	Very high	91.3	Very high	11 Å²	11	59.5 Å²	59.5	5%	0.051	29%	0.294	C	S	.	.			trans	-65.6	123.6	172.6	-173.2	-28.3	0	0	0	109.5	K303 M304 K305 K306 I308 G324	H301-K303 PolarHBondContact ND1-N 3.16Å; H301-K303 PolarHBondContact O-N 3.07Å; H301-M304 HydrophobicContact CB-CB 4.14Å; H301-K305 WeakPolarHBondContact O-CA 3.47Å; H301-K305 PolarHBondContact O-N 3.14Å; H301-K306 VanDerWaalsContact CB-O 3.27Å; H301-K306 WeakPolarHBondContact CB-O 3.48Å; H301-K306 PolarHBondContact N-O 3.12Å; H301-I308 HydrophobicContact CB-CD1 3.67Å; H301-I308 HydrophobicContact CB-CG1 4.1Å; H301-G324 WeakPolarHBondContact CA-O 3.24Å; H301-G324 WeakPolarHBondContact CE1-CA 3.06Å; H301-G324 WeakPolarHBondContact ND1-CA 3.05Å; H301-G324 PolarHBondContact ND1-O 3.48Å
302	D	84.6	Confident	91.7	Very high	37 Å²	37	55.1 Å²	55.1	20%	0.198	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-50	-173.3	-174	43.1	0	0	0	114.7	N215 E300 K305 G324	N215-D302 PolarHBondContact ND2-OD1 2.98Å; E300-D302 PolarHBondContact O-N 2.76Å; D302-K305 WeakPolarHBondContact O-CE 3.25Å; D302-K305 PolarHBondContact O-NZ 3.36Å; D302-K305 IonicContact OD1-NZ 3.88Å; D302-G324 PolarHBondContact N-O 3.28Å
303	K	85.6	Confident	92	Very high	182 Å²	182	54.5 Å²	54.5	79%	0.791	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-43.2	-177.2	-60.6	178	-176.7	171.4	0	113.2	H301	H301-K303 PolarHBondContact ND1-N 3.16Å; H301-K303 PolarHBondContact O-N 3.07Å
304	M	87.9	Confident	92.3	Very high	126 Å²	126	49.6 Å²	49.6	62%	0.621	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-18.9	-173.7	-64.2	-175	-178.6	0	0	113.3	H301 K306	H301-M304 HydrophobicContact CB-CB 4.14Å; M304-K306 HydrophobicContact CB-CB 4.19Å; M304-K306 HydrophobicContact CB-CG 4.46Å; M304-K306 PolarHBondContact O-N 3.16Å; M304-K306 VanDerWaalsContact O-N 3.16Å
305	K	86.6	Confident	92.6	Very high	102 Å²	102	51.5 Å²	51.5	44%	0.443	25%	0.254	S	S	.	.			trans	55.3	28.6	-173	-55.6	-62.7	175.5	-159.3	0	113.1	E300 H301 D302	E300-K305 WeakPolarHBondContact OE1-CD 3.47Å; E300-K305 IonicContact OE1-NZ 3.91Å; E300-K305 PolarHBondContact OE1-NZ 2.85Å; H301-K305 WeakPolarHBondContact O-CA 3.47Å; H301-K305 PolarHBondContact O-N 3.14Å; D302-K305 WeakPolarHBondContact O-CE 3.25Å; D302-K305 PolarHBondContact O-NZ 3.36Å; D302-K305 IonicContact OD1-NZ 3.88Å
306	K	91.3	Very high	92.7	Very high	97 Å²	97	51.1 Å²	51.1	42%	0.422	25%	0.252	S	S	.	.			trans	-111	152.7	175.9	-79.1	177.5	155.8	-107.3	0	109.8	H301 M304 K353 I354	H301-K306 VanDerWaalsContact CB-O 3.27Å; H301-K306 WeakPolarHBondContact CB-O 3.48Å; H301-K306 PolarHBondContact N-O 3.12Å; M304-K306 HydrophobicContact CB-CB 4.19Å; M304-K306 HydrophobicContact CB-CG 4.46Å; M304-K306 PolarHBondContact O-N 3.16Å; M304-K306 VanDerWaalsContact O-N 3.16Å; K306-K353 CarbonylContact C-O 3.58Å; K306-K353 WeakPolarHBondContact CA-O 3.48Å; K306-I354 WeakPolarHBondContact CD-O 3.25Å; K306-I354 PolarHBondContact NZ-O 3.28Å; K306-I354 PolarHBondContact NZ-OXT 2.77Å
307	F	93.5	Very high	92.7	Very high	22 Å²	22	54.4 Å²	54.4	10%	0.096	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	123.7	-179.2	-72.7	-91.8	0	0	0	110.8	Y298 F299 E300 H336 W349 K353 I354	Y298-F307 HydrophobicContact CD1-CB 3.96Å; Y298-F307 HydrophobicContact CG-CB 4.36Å; F299-F307 CarbonylContact O-C 3.53Å; F299-F307 WeakPolarHBondContact O-CA 3.33Å; E300-F307 HydrophobicContact CB-CD1 4.42Å; E300-F307 HydrophobicContact CB-CE1 4.03Å; E300-F307 HydrophobicContact CB-CZ 4.37Å; E300-F307 HydrophobicContact CG-CE1 4.49Å; E300-F307 HydrophobicContact CG-CZ 4.37Å; F307-H336 HydrophobicContact CD1-CB 4.49Å; F307-H336 HydrophobicContact CE1-CB 4.39Å; F307-H336 AromaticContact CE1-CD2 3.35Å; F307-H336 WeakPolarHBondContact CE1-CD2 3.49Å; F307-H336 AromaticContact CE1-CE1 3.56Å; F307-H336 AromaticContact CE1-CG 3.62Å; F307-H336 AromaticContact CE1-ND1 3.74Å; F307-H336 AromaticContact CE1-NE2 3.32Å; F307-H336 VanDerWaalsContact CE1-NE2 3.32Å; F307-H336 WeakPolarHBondContact CE1-NE2 3.44Å; F307-H336 AromaticContact CZ-CD2 3.92Å; F307-H336 AromaticContact CZ-NE2 3.71Å; F307-W349 HydrophobicContact CD1-CZ2 4.1Å; F307-W349 HydrophobicContact CD2-CZ2 4.15Å; F307-W349 HydrophobicContact CE1-CZ2 4.01Å; F307-W349 HydrophobicContact CE2-CH2 4.37Å; F307-W349 HydrophobicContact CE2-CZ2 4.01Å; F307-W349 HydrophobicContact CG-CZ2 4.15Å; F307-W349 HydrophobicContact CZ-CH2 4.19Å; F307-W349 AromaticContact CZ-CZ2 3.93Å; F307-W349 HydrophobicContact CZ-CZ2 3.93Å; F307-K353 HydrophobicContact CD2-CB 3.61Å; F307-K353 HydrophobicContact CD2-CG 4.43Å; F307-K353 WeakPolarHBondContact CD2-O 3.3Å; F307-K353 HydrophobicContact CE2-CB 4.15Å; F307-K353 HydrophobicContact CE2-CD 4.31Å; F307-K353 HydrophobicContact CG-CB 4.4Å; F307-K353 PolarHBondContact N-O 3.24Å; F307-I354 HydrophobicContact CB-CG1 4.45Å
308	I	94.3	Very high	92.6	Very high	53 Å²	53	61 Å²	61	27%	0.272	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	128	177.8	-64.5	170.8	0	0	0	109.1	Y298 F299 H301 C310	Y298-I308 VanDerWaalsContact CA-O 3.28Å; Y298-I308 WeakPolarHBondContact CA-O 3.12Å; Y298-I308 VanDerWaalsContact CD1-C 3.46Å; F299-I308 HydrophobicContact CD1-CB 4.19Å; F299-I308 HydrophobicContact CD1-CG2 4.48Å; F299-I308 HydrophobicContact CE1-CB 3.6Å; F299-I308 HydrophobicContact CE1-CD1 4.48Å; F299-I308 HydrophobicContact CE1-CG2 3.57Å; F299-I308 HydrophobicContact CE2-CB 4.03Å; F299-I308 HydrophobicContact CE2-CD1 3.72Å; F299-I308 HydrophobicContact CE2-CG1 4.33Å; F299-I308 HydrophobicContact CZ-CB 3.53Å; F299-I308 HydrophobicContact CZ-CD1 3.55Å; F299-I308 HydrophobicContact CZ-CG1 4.1Å; F299-I308 HydrophobicContact CZ-CG2 3.68Å; F299-I308 PolarHBondContact N-O 3.42Å; F299-I308 VanDerWaalsContact N-O 3.09Å; F299-I308 PolarHBondContact O-N 3.32Å; H301-I308 HydrophobicContact CB-CD1 3.67Å; H301-I308 HydrophobicContact CB-CG1 4.1Å; I308-C310 PolarHBondContact O-N 2.85Å
309	L	94.3	Very high	92.6	Very high	85 Å²	85	60.9 Å²	60.9	45%	0.445	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	125.6	173.3	179.6	66.8	0	0	0	110.1	E296 Y298	E296-L309 HydrophobicContact CB-CD1 3.67Å; E296-L309 HydrophobicContact CG-CD1 3.77Å; Y298-L309 HydrophobicContact CD1-CB 4.15Å; Y298-L309 HydrophobicContact CE1-CB 3.65Å; Y298-L309 HydrophobicContact CE1-CD1 4.02Å; Y298-L309 HydrophobicContact CE1-CG 4.44Å; Y298-L309 HydrophobicContact CE2-CD1 4.06Å
310	C	93.4	Very high	92.6	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	139.6	169.7	67.5	0	0	0	0	110.2	V297 F299 I308 P312 L319	V297-C310 VanDerWaalsContact CG1-SG 3.6Å; V297-C310 PolarHBondContact O-N 3.47Å; V297-C310 PolarHBondContact O-SG 3.34Å; F299-C310 HydrophobicContact CD1-CB 4.19Å; F299-C310 HydrophobicContact CE1-CB 4.43Å; I308-C310 PolarHBondContact O-N 2.85Å; C310-P312 WeakPolarHBondContact O-CD 3.34Å; C310-L319 HydrophobicContact CB-CD1 4.02Å
311	S	93.1	Very high	92.5	Very high	65 Å²	65	63.5 Å²	63.5	46%	0.455	31%	0.305	S	S	.	.			trans	-67.4	130.6	177.8	178.6	0	0	0	0	109.8	Q313 C314	S311-Q313 PolarHBondContact O-N 3Å; S311-Q313 VanDerWaalsContact O-N 3.13Å; S311-Q313 PolarHBondContact OG-N 3.13Å; S311-C314 WeakPolarHBondContact O-CB 3.5Å; S311-C314 PolarHBondContact O-N 3.48Å
312	P	92.9	Very high	92.6	Very high	27 Å²	27	65.4 Å²	65.4	18%	0.175	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-24.2	172.4	-25.1	34.5	0	0	0	113.1	I265 I266 V297 C310 C314	I265-P312 WeakPolarHBondContact CB-O 3.41Å; I265-P312 PolarHBondContact N-O 2.95Å; I266-P312 HydrophobicContact CB-CB 4.05Å; I266-P312 WeakPolarHBondContact CB-O 3.41Å; I266-P312 HydrophobicContact CD1-CB 4.16Å; I266-P312 PolarHBondContact N-O 3.49Å; V297-P312 HydrophobicContact CG2-CG 4.07Å; C310-P312 WeakPolarHBondContact O-CD 3.34Å; P312-C314 PolarHBondContact O-N 3.13Å
313	Q	93.2	Very high	92.9	Very high	125 Å²	125	70.3 Å²	70.3	58%	0.584	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-1.8	176.3	-56	-65.8	-1.6	0	0	113.1	S311	S311-Q313 PolarHBondContact O-N 3Å; S311-Q313 VanDerWaalsContact O-N 3.13Å; S311-Q313 PolarHBondContact OG-N 3.13Å
314	C	94.2	Very high	93.1	Very high	6 Å²	6	62 Å²	62	4%	0.041	31%	0.306	C	S	.	.	S	Bend	trans	-75.1	139.8	177	-166.9	0	0	0	0	110.4	M264 I265 S311 P312 K318	M264-C314 WeakPolarHBondContact CA-O 3.24Å; I265-C314 HydrophobicContact CD1-CB 4.27Å; I265-C314 PolarHBondContact N-O 3.4Å; S311-C314 WeakPolarHBondContact O-CB 3.5Å; S311-C314 PolarHBondContact O-N 3.48Å; P312-C314 PolarHBondContact O-N 3.13Å; C314-K318 WeakPolarHBondContact SG-CB 3.35Å; C314-K318 VanDerWaalsContact SG-CG 3.5Å
315	T	97.1	Very high	93.4	Very high	45 Å²	45	56.4 Å²	56.4	28%	0.276	28%	0.278	S	S	.	.	B	Isolated β-bridge	trans	-74	152.7	169	59.1	0	0	0	0	110.8	S263 M264 K317 K318 L319	S263-T315 CarbonylContact O-C 3.54Å; S263-T315 VanDerWaalsContact O-CA 3.27Å; S263-T315 WeakPolarHBondContact O-CA 3.49Å; M264-T315 HydrophobicContact CG-CG2 4.14Å; T315-K317 PolarHBondContact O-N 3.49Å; T315-K318 PolarHBondContact O-N 3.01Å; T315-K318 WeakPolarHBondContact OG1-CB 3.4Å; T315-K318 PolarHBondContact OG1-N 3.22Å; T315-L319 PolarHBondContact O-N 3.29Å
316	I	96.5	Very high	93.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-56.5	-38.8	175.4	-58.4	-52.8	0	0	0	111	W241 I243 V259 E261 S263 I265 K318 L319 T320 I333	W241-I316 HydrophobicContact CB-CG2 4.48Å; W241-I316 HydrophobicContact CG-CG2 4.11Å; I243-I316 HydrophobicContact CD1-CD1 3.47Å; I243-I316 VanDerWaalsContact CD1-CD1 3.47Å; I243-I316 HydrophobicContact CD1-CG1 3.89Å; V259-I316 HydrophobicContact CG1-CG1 3.96Å; E261-I316 PolarHBondContact O-N 3.18Å; S263-I316 PolarHBondContact O-N 3.44Å; I265-I316 HydrophobicContact CG1-CD1 3.7Å; I316-K318 VanDerWaalsContact C-N 3.3Å; I316-K318 PolarHBondContact O-N 2.91Å; I316-L319 HydrophobicContact CD1-CD2 4.38Å; I316-L319 WeakPolarHBondContact O-CB 3.27Å; I316-L319 PolarHBondContact O-N 3.03Å; I316-T320 HydrophobicContact CG2-CG2 4.45Å; I316-T320 WeakPolarHBondContact O-CG2 3.49Å; I316-T320 PolarHBondContact O-N 3.06Å; I316-T320 PolarHBondContact O-OG1 2.9Å; I316-I333 HydrophobicContact CG2-CD1 3.59Å
317	K	95	Very high	93.6	Very high	83 Å²	83	48.1 Å²	48.1	36%	0.361	25%	0.245	S	C	.	.	H	α-helix	trans	-59.1	-36.7	173.8	-174.6	173.6	-170.5	170.6	0	113.9	E261 T315 T320	E261-K317 HydrophobicContact CB-CB 4.1Å; E261-K317 HydrophobicContact CG-CB 4.35Å; E261-K317 VanDerWaalsContact O-CB 3.32Å; E261-K317 WeakPolarHBondContact O-CB 3.47Å; E261-K317 PolarHBondContact O-N 3.3Å; E261-K317 WeakPolarHBondContact OE2-CD 3.46Å; E261-K317 WeakPolarHBondContact OE2-CG 3.22Å; T315-K317 PolarHBondContact O-N 3.49Å; K317-T320 PolarHBondContact O-OG1 3.28Å
318	K	95.4	Very high	93.4	Very high	138 Å²	138	49 Å²	49	60%	0.6	25%	0.248	S	C	*	.	H	α-helix	trans	-79.6	-35.9	178.6	-178.9	179.5	177.9	-176.8	0	110.5	C314 T315 I316 K321 Q322	C314-K318 WeakPolarHBondContact SG-CB 3.35Å; C314-K318 VanDerWaalsContact SG-CG 3.5Å; T315-K318 PolarHBondContact O-N 3.01Å; T315-K318 WeakPolarHBondContact OG1-CB 3.4Å; T315-K318 PolarHBondContact OG1-N 3.22Å; I316-K318 VanDerWaalsContact C-N 3.3Å; I316-K318 PolarHBondContact O-N 2.91Å; K318-K321 PolarHBondContact O-N 3.15Å; K318-Q322 WeakPolarHBondContact O-CG 3.23Å; K318-Q322 PolarHBondContact O-N 3.14Å
319	L	95.7	Very high	93	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-56.3	-50.6	172.2	172.3	71.8	0	0	0	111.4	I265 F299 C310 T315 I316 K321 Q322 F325 I333 L335	I265-L319 HydrophobicContact CD1-CB 4.46Å; I265-L319 HydrophobicContact CD1-CD1 4.41Å; I265-L319 HydrophobicContact CD1-CD2 4.12Å; F299-L319 HydrophobicContact CD1-CD1 4.01Å; F299-L319 HydrophobicContact CE1-CD1 4.5Å; C310-L319 HydrophobicContact CB-CD1 4.02Å; T315-L319 PolarHBondContact O-N 3.29Å; I316-L319 HydrophobicContact CD1-CD2 4.38Å; I316-L319 WeakPolarHBondContact O-CB 3.27Å; I316-L319 PolarHBondContact O-N 3.03Å; L319-K321 PolarHBondContact O-N 3.07Å; L319-Q322 WeakPolarHBondContact O-CB 3.1Å; L319-Q322 PolarHBondContact O-N 3.44Å; L319-F325 HydrophobicContact CD1-CD2 3.83Å; L319-F325 HydrophobicContact CD1-CE2 3.81Å; L319-F325 HydrophobicContact CD2-CE2 3.91Å; L319-F325 HydrophobicContact CD2-CZ 4.18Å; L319-F325 HydrophobicContact CG-CD2 3.99Å; L319-F325 HydrophobicContact CG-CE2 3.66Å; L319-F325 HydrophobicContact CG-CZ 4.11Å; L319-I333 HydrophobicContact CD2-CG2 4.02Å; L319-L335 HydrophobicContact CD1-CD2 4.29Å; L319-L335 HydrophobicContact CD2-CD1 4.19Å; L319-L335 HydrophobicContact CD2-CD2 3.85Å; L319-L335 HydrophobicContact CD2-CG 4.44Å
320	T	94.1	Very high	92.6	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.018	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-11.2	-177.7	54.8	0	0	0	0	114.4	W241 I316 K317 F325 I333	W241-T320 HydrophobicContact CZ2-CG2 4.3Å; I316-T320 HydrophobicContact CG2-CG2 4.45Å; I316-T320 WeakPolarHBondContact O-CG2 3.49Å; I316-T320 PolarHBondContact O-N 3.06Å; I316-T320 PolarHBondContact O-OG1 2.9Å; K317-T320 PolarHBondContact O-OG1 3.28Å; T320-F325 HydrophobicContact CG2-CE1 3.92Å; T320-F325 HydrophobicContact CG2-CZ 4.47Å; T320-I333 HydrophobicContact CG2-CD1 3.86Å
321	K	92.4	Very high	92.4	Very high	126 Å²	126	48.6 Å²	48.6	55%	0.548	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	2	175.9	-65.4	-173.2	174.6	-159.6	0	113.5	K318 L319	K318-K321 PolarHBondContact O-N 3.15Å; L319-K321 PolarHBondContact O-N 3.07Å
322	Q	92.6	Very high	92.3	Very high	51 Å²	51	45.6 Å²	45.6	24%	0.238	22%	0.219	C	C	.	.	S	Bend	trans	-69.3	143.6	177.8	-69.8	-171.6	-17.7	0	0	110.7	F299 K318 L319 G324 F325	F299-Q322 HydrophobicContact CE1-CB 4.37Å; F299-Q322 HydrophobicContact CZ-CB 4.23Å; K318-Q322 WeakPolarHBondContact O-CG 3.23Å; K318-Q322 PolarHBondContact O-N 3.14Å; L319-Q322 WeakPolarHBondContact O-CB 3.1Å; L319-Q322 PolarHBondContact O-N 3.44Å; Q322-G324 PolarHBondContact O-N 3.41Å; Q322-F325 HydrophobicContact CB-CB 4.27Å; Q322-F325 VanDerWaalsContact O-CB 3.3Å; Q322-F325 WeakPolarHBondContact O-CB 3.31Å; Q322-F325 PolarHBondContact O-N 3.14Å; Q322-F325 VanDerWaalsContact O-N 3.1Å
323	N	90.9	Very high	92.4	Very high	140 Å²	140	44.3 Å²	44.3	75%	0.749	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	129.7	178.5	178.7	56.8	0	0	0	110.8	F325	N323-F325 PolarHBondContact O-N 3.45Å
324	G	90.9	Very high	92.5	Very high	8 Å²	8	39.7 Å²	39.7	8%	0.082	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	-6.2	-179.9	0	0	0	0	0	115	H301 D302 Q322	H301-G324 WeakPolarHBondContact CA-O 3.24Å; H301-G324 WeakPolarHBondContact CE1-CA 3.06Å; H301-G324 WeakPolarHBondContact ND1-CA 3.05Å; H301-G324 PolarHBondContact ND1-O 3.48Å; D302-G324 PolarHBondContact N-O 3.28Å; Q322-G324 PolarHBondContact O-N 3.41Å
325	F	93.8	Very high	92.6	Very high	8 Å²	8	39.4 Å²	39.4	4%	0.035	19%	0.188	C	C	.	.			trans	-73.8	132.1	170.4	-173	-84.7	0	0	0	109.1	F299 L319 T320 Q322 N323 V327 I333	F299-F325 HydrophobicContact CB-CD2 3.9Å; F299-F325 HydrophobicContact CB-CE2 4.01Å; F299-F325 HydrophobicContact CD1-CD2 4.01Å; F299-F325 HydrophobicContact CD2-CB 4.08Å; F299-F325 AromaticContact CD2-CD2 3.55Å; F299-F325 HydrophobicContact CD2-CD2 3.55Å; F299-F325 HydrophobicContact CD2-CE2 4.44Å; F299-F325 HydrophobicContact CD2-CG 4.24Å; F299-F325 HydrophobicContact CE1-CD2 4.43Å; F299-F325 VanDerWaalsContact CE2-CA 3.49Å; F299-F325 HydrophobicContact CE2-CB 3.69Å; F299-F325 HydrophobicContact CE2-CD2 4.01Å; F299-F325 HydrophobicContact CE2-CG 4.34Å; F299-F325 AromaticContact CG-CD2 3.54Å; F299-F325 HydrophobicContact CG-CD2 3.54Å; F299-F325 HydrophobicContact CG-CE2 4.16Å; F299-F325 HydrophobicContact CZ-CB 4.01Å; F299-F325 HydrophobicContact CZ-CD2 4.41Å; L319-F325 HydrophobicContact CD1-CD2 3.83Å; L319-F325 HydrophobicContact CD1-CE2 3.81Å; L319-F325 HydrophobicContact CD2-CE2 3.91Å; L319-F325 HydrophobicContact CD2-CZ 4.18Å; L319-F325 HydrophobicContact CG-CD2 3.99Å; L319-F325 HydrophobicContact CG-CE2 3.66Å; L319-F325 HydrophobicContact CG-CZ 4.11Å; T320-F325 HydrophobicContact CG2-CE1 3.92Å; T320-F325 HydrophobicContact CG2-CZ 4.47Å; Q322-F325 HydrophobicContact CB-CB 4.27Å; Q322-F325 VanDerWaalsContact O-CB 3.3Å; Q322-F325 WeakPolarHBondContact O-CB 3.31Å; Q322-F325 PolarHBondContact O-N 3.14Å; Q322-F325 VanDerWaalsContact O-N 3.1Å; N323-F325 PolarHBondContact O-N 3.45Å; F325-V327 HydrophobicContact CE1-CG2 3.74Å; F325-I333 HydrophobicContact CZ-CG1 4.2Å; F325-I333 HydrophobicContact CZ-CG2 4.06Å
326	S	92.1	Very high	92.5	Very high	24 Å²	24	37.9 Å²	37.9	17%	0.168	18%	0.178	C	C	.	.			trans	-142	136.7	171.7	-55.7	0	0	0	0	109.2	D213	D213-S326 WeakPolarHBondContact CB-OG 3.23Å; D213-S326 CarbonylContact O-C 3.56Å; D213-S326 VanDerWaalsContact O-CA 3.29Å; D213-S326 WeakPolarHBondContact O-CA 3.38Å
327	V	91	Very high	92.5	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	150	173.9	-171.7	0	0	0	0	108.7	I212 D213 V214 N215 W241 F325 L331	I212-V327 HydrophobicContact CG2-CG2 3.83Å; D213-V327 PolarHBondContact O-N 3.08Å; V214-V327 CarbonylContact C-O 3.58Å; V214-V327 WeakPolarHBondContact CA-O 3.22Å; N215-V327 PolarHBondContact N-O 2.96Å; W241-V327 HydrophobicContact CH2-CG1 4.43Å; W241-V327 HydrophobicContact CH2-CG2 3.97Å; W241-V327 HydrophobicContact CZ3-CG1 3.85Å; W241-V327 HydrophobicContact CZ3-CG2 4.07Å; F325-V327 HydrophobicContact CE1-CG2 3.74Å; V327-L331 HydrophobicContact CG1-CD2 4.19Å
328	R	88.8	Confident	92.5	Very high	41 Å²	41	34 Å²	34	16%	0.155	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	171	178.4	-62.4	173	65.7	91.7	-4.4	112.4	L218 K219 D330 L331 I334	L218-R328 HydrophobicContact CB-CG 4.4Å; L218-R328 HydrophobicContact CD1-CG 3.86Å; K219-R328 PolarHBondContact O-NH2 3.43Å; R328-D330 WeakPolarHBondContact CB-OD1 3.39Å; R328-D330 IonicContact NE-OD1 3.28Å; R328-D330 PolarHBondContact NE-OD1 2.63Å; R328-D330 PolarHBondContact O-N 2.99Å; R328-L331 PolarHBondContact O-N 3.13Å; R328-I334 VanDerWaalsContact CD-CD1 3.5Å
329	R	84.9	Confident	92.5	Very high	87 Å²	87	27.4 Å²	27.4	33%	0.328	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-36.7	175.3	-167	-178.2	-176.2	168.9	3.5	112.6	E197 M200 Y204 N215 L216 L218 L331	E197-R329 IonicContact OE1-NH2 2.67Å; M200-R329 HydrophobicContact CE-CG 4.14Å; M200-R329 VanDerWaalsContact CE-NE 3.34Å; M200-R329 HydrophobicContact SD-CG 4.05Å; Y204-R329 WeakPolarHBondContact OH-CA 3.33Å; Y204-R329 WeakPolarHBondContact OH-CG 3.46Å; Y204-R329 PolarHBondContact OH-O 2.91Å; N215-R329 PolarHBondContact O-N 2.94Å; L216-R329 HydrophobicContact CD2-CG 4.37Å; L218-R329 WeakPolarHBondContact O-CB 3.32Å; R329-L331 PolarHBondContact O-N 3.47Å
330	D	85.6	Confident	92.4	Very high	38 Å²	38	29.9 Å²	29.9	20%	0.203	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	9.9	177.5	52	-8.9	0	0	0	114.1	P220 I221 R328 L332	P220-D330 WeakPolarHBondContact CA-OD2 3.37Å; P220-D330 HydrophobicContact CB-CB 4.16Å; I221-D330 PolarHBondContact N-OD2 3.22Å; R328-D330 WeakPolarHBondContact CB-OD1 3.39Å; R328-D330 IonicContact NE-OD1 3.28Å; R328-D330 PolarHBondContact NE-OD1 2.63Å; R328-D330 PolarHBondContact O-N 2.99Å; D330-L332 PolarHBondContact O-N 3Å; D330-L332 VanDerWaalsContact O-N 3.11Å
331	L	90.1	Very high	92.4	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.021	16%	0.159	C	C	.	.			trans	54.7	29.4	179.3	-60.3	-173.5	0	0	0	114.5	E203 Y204 L207 V214 F231 W241 V327 R328 R329	E203-L331 HydrophobicContact CB-CD1 3.92Å; E203-L331 WeakPolarHBondContact OE2-CD1 3.45Å; Y204-L331 HydrophobicContact CD1-CD1 4.44Å; Y204-L331 HydrophobicContact CD1-CD2 3.84Å; Y204-L331 HydrophobicContact CD1-CG 4.46Å; Y204-L331 HydrophobicContact CE1-CD1 4.22Å; Y204-L331 HydrophobicContact CE1-CD2 3.48Å; Y204-L331 VanDerWaalsContact CE1-CD2 3.48Å; Y204-L331 HydrophobicContact CE1-CG 3.89Å; L207-L331 HydrophobicContact CD1-CD1 4.16Å; L207-L331 HydrophobicContact CD1-CD2 3.32Å; L207-L331 HydrophobicContact CD1-CG 4.38Å; V214-L331 HydrophobicContact CG1-CD2 4.39Å; V214-L331 HydrophobicContact CG2-CD2 4.44Å; F231-L331 HydrophobicContact CB-CB 3.65Å; F231-L331 HydrophobicContact CB-CD1 3.86Å; F231-L331 HydrophobicContact CB-CG 4.42Å; F231-L331 HydrophobicContact CD1-CD1 3.62Å; F231-L331 HydrophobicContact CE1-CD1 4.46Å; F231-L331 HydrophobicContact CG-CB 4.32Å; F231-L331 HydrophobicContact CG-CD1 3.94Å; W241-L331 HydrophobicContact CZ3-CB 4.4Å; V327-L331 HydrophobicContact CG1-CD2 4.19Å; R328-L331 PolarHBondContact O-N 3.13Å; R329-L331 PolarHBondContact O-N 3.47Å
332	L	91.8	Very high	92.3	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.01	14%	0.14	C	C	.	.			trans	-96.3	132.8	178.4	179.6	68.4	0	0	0	111	I221 V226 P242 L244 F255 D330 I334	I221-L332 HydrophobicContact CD1-CD2 3.49Å; I221-L332 VanDerWaalsContact CD1-CD2 3.49Å; I221-L332 HydrophobicContact CG1-CD2 4.26Å; V226-L332 HydrophobicContact CG1-CD1 4.38Å; V226-L332 HydrophobicContact CG1-CD2 4.01Å; V226-L332 HydrophobicContact CG2-CD2 4.42Å; P242-L332 HydrophobicContact CB-CD1 3.95Å; P242-L332 HydrophobicContact CG-CD1 4.21Å; L244-L332 HydrophobicContact CB-CD1 4.1Å; L244-L332 HydrophobicContact CB-CD2 4.09Å; L244-L332 HydrophobicContact CB-CG 4.32Å; L244-L332 HydrophobicContact CD2-CD2 4.23Å; F255-L332 HydrophobicContact CD2-CD1 4.45Å; F255-L332 HydrophobicContact CE2-CD1 3.72Å; D330-L332 PolarHBondContact O-N 3Å; D330-L332 VanDerWaalsContact O-N 3.11Å; L332-I334 HydrophobicContact CD2-CG1 4.16Å; L332-I334 HydrophobicContact CG-CG1 4.3Å
333	I	94.5	Very high	92.2	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	124.9	168.1	-64.6	-180	0	0	0	108.5	W241 P242 I243 L244 I316 L319 T320 F325 L335	W241-I333 HydrophobicContact CB-CD1 3.92Å; W241-I333 HydrophobicContact CD2-CD1 3.7Å; W241-I333 HydrophobicContact CD2-CG1 4.23Å; W241-I333 HydrophobicContact CE3-CD1 3.99Å; W241-I333 HydrophobicContact CE3-CG1 3.99Å; W241-I333 HydrophobicContact CG-CD1 3.67Å; P242-I333 PolarHBondContact O-N 3.33Å; P242-I333 VanDerWaalsContact O-N 3.15Å; I243-I333 WeakPolarHBondContact CA-O 3.33Å; I243-I333 HydrophobicContact CG1-CB 4.24Å; I243-I333 HydrophobicContact CG2-CG2 4.33Å; L244-I333 PolarHBondContact N-O 3.25Å; I316-I333 HydrophobicContact CG2-CD1 3.59Å; L319-I333 HydrophobicContact CD2-CG2 4.02Å; T320-I333 HydrophobicContact CG2-CD1 3.86Å; F325-I333 HydrophobicContact CZ-CG1 4.2Å; F325-I333 HydrophobicContact CZ-CG2 4.06Å; I333-L335 HydrophobicContact CG2-CD1 4.41Å; I333-L335 HydrophobicContact CG2-CD2 4.43Å; I333-L335 HydrophobicContact CG2-CG 4.03Å
334	I	94.4	Very high	92.2	Very high	27 Å²	27	32.3 Å²	32.3	14%	0.138	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	128	172.9	-53.4	-178.8	0	0	0	109.3	I221 L244 M246 R328 L332	I221-I334 HydrophobicContact CD1-CD1 3.64Å; I221-I334 HydrophobicContact CD1-CG1 4.35Å; L244-I334 WeakPolarHBondContact O-CA 3.33Å; M246-I334 HydrophobicContact CE-CG2 3.62Å; M246-I334 HydrophobicContact CG-CG2 3.89Å; M246-I334 HydrophobicContact SD-CG2 3.96Å; R328-I334 VanDerWaalsContact CD-CD1 3.5Å; L332-I334 HydrophobicContact CD2-CG1 4.16Å; L332-I334 HydrophobicContact CG-CG1 4.3Å
335	L	96.8	Very high	92.2	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	133	174.8	-67.3	176.7	0	0	0	109.7	I243 L244 F245 M246 I265 V297 Y298 F299 L319 I333	I243-L335 HydrophobicContact CG2-CD1 4.16Å; L244-L335 PolarHBondContact O-N 2.92Å; F245-L335 CarbonylContact C-O 3.6Å; F245-L335 WeakPolarHBondContact CA-O 3.47Å; F245-L335 HydrophobicContact CD1-CB 3.83Å; F245-L335 HydrophobicContact CD1-CD1 4.41Å; F245-L335 HydrophobicContact CE1-CB 3.97Å; F245-L335 HydrophobicContact CE1-CD1 3.7Å; F245-L335 HydrophobicContact CE1-CG 4.46Å; F245-L335 HydrophobicContact CZ-CD1 4.39Å; M246-L335 PolarHBondContact N-O 2.81Å; I265-L335 HydrophobicContact CD1-CD1 4.25Å; I265-L335 HydrophobicContact CG1-CD1 4.2Å; I265-L335 HydrophobicContact CG2-CD1 4.07Å; V297-L335 HydrophobicContact CG1-CB 3.86Å; V297-L335 HydrophobicContact CG1-CD1 4.17Å; V297-L335 HydrophobicContact CG1-CD2 4.06Å; V297-L335 HydrophobicContact CG1-CG 4.25Å; Y298-L335 WeakPolarHBondContact O-CA 3.45Å; F299-L335 HydrophobicContact CB-CD2 4.28Å; L319-L335 HydrophobicContact CD1-CD2 4.29Å; L319-L335 HydrophobicContact CD2-CD1 4.19Å; L319-L335 HydrophobicContact CD2-CD2 3.85Å; L319-L335 HydrophobicContact CD2-CG 4.44Å; I333-L335 HydrophobicContact CG2-CD1 4.41Å; I333-L335 HydrophobicContact CG2-CD2 4.43Å; I333-L335 HydrophobicContact CG2-CG 4.03Å
336	H	96.1	Very high	92.2	Very high	14 Å²	14	35.5 Å²	35.5	7%	0.065	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	118.6	178.1	-62.8	56.8	0	0	0	107.9	M246 P248 V297 Y298 F307	M246-H336 WeakPolarHBondContact CE-CE1 3.39Å; M246-H336 WeakPolarHBondContact CE-NE2 3.44Å; M246-H336 WeakPolarHBondContact O-CA 3.48Å; P248-H336 HydrophobicContact CG-CB 4.39Å; V297-H336 CarbonylContact C-O 3.48Å; V297-H336 WeakPolarHBondContact CA-O 3.42Å; Y298-H336 PolarHBondContact N-O 3.45Å; Y298-H336 PolarHBondContact O-N 3.25Å; F307-H336 HydrophobicContact CD1-CB 4.49Å; F307-H336 HydrophobicContact CE1-CB 4.39Å; F307-H336 AromaticContact CE1-CD2 3.35Å; F307-H336 WeakPolarHBondContact CE1-CD2 3.49Å; F307-H336 AromaticContact CE1-CE1 3.56Å; F307-H336 AromaticContact CE1-CG 3.62Å; F307-H336 AromaticContact CE1-ND1 3.74Å; F307-H336 AromaticContact CE1-NE2 3.32Å; F307-H336 VanDerWaalsContact CE1-NE2 3.32Å; F307-H336 WeakPolarHBondContact CE1-NE2 3.44Å; F307-H336 AromaticContact CZ-CD2 3.92Å; F307-H336 AromaticContact CZ-NE2 3.71Å
337	V	96.3	Very high	92.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	126.6	179.3	-171.9	0	0	0	0	107.5	F245 M246 Y247 L269 Y288 I295 E296	F245-V337 HydrophobicContact CB-CG2 4.36Å; F245-V337 HydrophobicContact CD1-CG2 3.74Å; F245-V337 HydrophobicContact CG-CG2 4.42Å; M246-V337 PolarHBondContact O-N 2.85Å; Y247-V337 HydrophobicContact CD1-CB 3.81Å; Y247-V337 HydrophobicContact CD1-CG1 4.45Å; Y247-V337 HydrophobicContact CD1-CG2 4.38Å; Y247-V337 HydrophobicContact CE1-CB 3.79Å; Y247-V337 HydrophobicContact CE1-CG1 4.3Å; Y247-V337 HydrophobicContact CE1-CG2 3.94Å; L269-V337 HydrophobicContact CD2-CG2 3.88Å; Y288-V337 HydrophobicContact CD1-CG1 3.99Å; Y288-V337 HydrophobicContact CE1-CB 4.44Å; Y288-V337 HydrophobicContact CE1-CG1 4.16Å; Y288-V337 WeakPolarHBondContact CE1-O 3.35Å; I295-V337 HydrophobicContact CB-CG1 4.13Å; I295-V337 HydrophobicContact CD1-CG1 4.02Å; I295-V337 HydrophobicContact CG2-CG1 4.28Å; E296-V337 WeakPolarHBondContact O-CA 3.25Å
338	I	95.4	Very high	92.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	129.5	-178.4	-50	-58.6	0	0	0	108.8	P248 I295 E296 Y298 F345 Y346 W349	P248-I338 HydrophobicContact CG-CD1 3.81Å; I295-I338 CarbonylContact C-O 3.5Å; I295-I338 WeakPolarHBondContact CA-O 3.45Å; E296-I338 PolarHBondContact N-O 3.21Å; E296-I338 PolarHBondContact O-N 3.12Å; Y298-I338 HydrophobicContact CD2-CB 4.48Å; Y298-I338 HydrophobicContact CD2-CG1 3.86Å; Y298-I338 HydrophobicContact CE2-CB 4.34Å; Y298-I338 HydrophobicContact CE2-CG1 4.11Å; I338-F345 HydrophobicContact CD1-CE1 4.11Å; I338-F345 HydrophobicContact CG2-CD1 4.31Å; I338-F345 HydrophobicContact CG2-CE1 4.17Å; I338-Y346 HydrophobicContact CG2-CD2 3.86Å; I338-W349 HydrophobicContact CD1-CD2 4.06Å; I338-W349 HydrophobicContact CD1-CG 4.36Å; I338-W349 HydrophobicContact CD1-CZ2 4.2Å
339	S	94.8	Very high	92.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	127.9	173.8	176	0	0	0	0	111.7	L287 A294 R341 S342	L287-S339 VanDerWaalsContact O-CB 3.31Å; L287-S339 WeakPolarHBondContact O-CB 3.37Å; L287-S339 PolarHBondContact O-OG 3.46Å; A294-S339 CarbonylContact O-C 3.51Å; A294-S339 WeakPolarHBondContact O-CA 2.98Å; S339-R341 PolarHBondContact O-N 3.48Å; S339-R341 WeakPolarHBondContact OG-CB 3.33Å; S339-R341 PolarHBondContact OG-N 2.78Å; S339-S342 PolarHBondContact O-N 2.87Å
340	K	94.1	Very high	92.6	Very high	53 Å²	53	39.5 Å²	39.5	23%	0.23	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-22.1	167.9	-56.8	-173.7	-164	-176.8	0	112.5	D293 A294 E296 S342 Y346	D293-K340 VanDerWaalsContact O-CD 3.24Å; D293-K340 WeakPolarHBondContact O-CD 3.41Å; D293-K340 WeakPolarHBondContact O-CE 3.17Å; D293-K340 PolarHBondContact O-NZ 3.16Å; D293-K340 IonicContact OD1-NZ 3.02Å; D293-K340 PolarHBondContact OD1-NZ 3.34Å; D293-K340 IonicContact OD2-NZ 3.75Å; D293-K340 PolarHBondContact OD2-NZ 2.85Å; A294-K340 PolarHBondContact O-N 3.46Å; E296-K340 HydrophobicContact CG-CG 4.47Å; E296-K340 WeakPolarHBondContact OE1-CE 3.4Å; E296-K340 IonicContact OE1-NZ 3.9Å; E296-K340 PolarHBondContact OE1-NZ 3.17Å; K340-S342 VanDerWaalsContact C-N 3.26Å; K340-S342 PolarHBondContact O-N 3.5Å; K340-Y346 HydrophobicContact CG-CD2 4.41Å; K340-Y346 HydrophobicContact CG-CE1 4.5Å; K340-Y346 HydrophobicContact CG-CE2 3.96Å
341	R	93.6	Very high	92.7	Very high	94 Å²	94	43.8 Å²	43.8	36%	0.355	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-27.4	179.1	-62.9	179.1	174.7	179	-2.5	111.2	L286 L287 D292 A294 S339 T343	L286-R341 PolarHBondContact O-NH1 3.27Å; L287-R341 HydrophobicContact CB-CB 4.49Å; L287-R341 HydrophobicContact CD2-CB 3.93Å; D292-R341 IonicContact OD2-NH2 2.63Å; D292-R341 PolarHBondContact OD2-NH2 3.18Å; D292-R341 VanDerWaalsContact OD2-NH2 3.09Å; A294-R341 HydrophobicContact CB-CG 4.02Å; S339-R341 PolarHBondContact O-N 3.48Å; S339-R341 WeakPolarHBondContact OG-CB 3.33Å; S339-R341 PolarHBondContact OG-N 2.78Å; R341-T343 VanDerWaalsContact C-N 3.28Å; R341-T343 PolarHBondContact O-N 3.44Å
342	S	90.7	Very high	92.6	Very high	20 Å²	20	50 Å²	50	14%	0.14	25%	0.245	C	C	.	.	S	Bend	trans	-82.1	71.1	170.1	-163.8	0	0	0	0	111	E249 S339 K340 H344 F345 Y346	E249-S342 WeakPolarHBondContact OE1-CB 3.12Å; E249-S342 PolarHBondContact OE1-OG 3.1Å; E249-S342 WeakPolarHBondContact OE2-CB 3.42Å; S339-S342 PolarHBondContact O-N 2.87Å; K340-S342 VanDerWaalsContact C-N 3.26Å; K340-S342 PolarHBondContact O-N 3.5Å; S342-H344 VanDerWaalsContact C-N 3.31Å; S342-H344 PolarHBondContact O-N 3.25Å; S342-F345 PolarHBondContact O-N 3.5Å; S342-F345 VanDerWaalsContact O-N 3.16Å; S342-F345 WeakPolarHBondContact OG-CB 3.26Å; S342-Y346 WeakPolarHBondContact O-CB 3.48Å; S342-Y346 PolarHBondContact O-N 3.18Å
343	T	89.3	Confident	92.2	Very high	99 Å²	99	53.6 Å²	53.6	61%	0.607	26%	0.261	S	S	*	.	H	α-helix	trans	-54.6	-41.4	-168	55	0	0	0	0	114.1	R341 T347	R341-T343 VanDerWaalsContact C-N 3.28Å; R341-T343 PolarHBondContact O-N 3.44Å; T343-T347 WeakPolarHBondContact O-CB 3.23Å; T343-T347 PolarHBondContact O-N 3.09Å; T343-T347 PolarHBondContact O-OG1 3.2Å
344	H	90.8	Very high	91.4	Very high	157 Å²	157	56.9 Å²	56.9	73%	0.727	28%	0.278	S	S	*	.	H	α-helix	trans	-66.2	-50.4	178.5	-177	-75.5	0	0	0	111.7	S342 S348	S342-H344 VanDerWaalsContact C-N 3.31Å; S342-H344 PolarHBondContact O-N 3.25Å; H344-S348 WeakPolarHBondContact O-CB 3.39Å; H344-S348 PolarHBondContact O-N 3.42Å; H344-S348 VanDerWaalsContact O-N 3.13Å
345	F	92.7	Very high	91.3	Very high	45 Å²	45	58.4 Å²	58.4	20%	0.197	29%	0.285	C	S	.	.	H	α-helix	trans	-63.7	-45.7	179.2	-179.9	-97.3	0	0	0	111	P248 E249 I338 S342 T347 S348 W349	P248-F345 HydrophobicContact CB-CZ 4.07Å; E249-F345 HydrophobicContact CB-CD1 3.77Å; E249-F345 HydrophobicContact CB-CD2 4.2Å; E249-F345 HydrophobicContact CB-CE1 3.72Å; E249-F345 HydrophobicContact CB-CE2 4.15Å; E249-F345 HydrophobicContact CB-CG 4.03Å; E249-F345 HydrophobicContact CB-CZ 3.92Å; E249-F345 HydrophobicContact CG-CB 4.35Å; E249-F345 HydrophobicContact CG-CD1 4.07Å; E249-F345 HydrophobicContact CG-CD2 4.15Å; E249-F345 HydrophobicContact CG-CE1 4.49Å; E249-F345 HydrophobicContact CG-CG 3.9Å; I338-F345 HydrophobicContact CD1-CE1 4.11Å; I338-F345 HydrophobicContact CG2-CD1 4.31Å; I338-F345 HydrophobicContact CG2-CE1 4.17Å; S342-F345 PolarHBondContact O-N 3.5Å; S342-F345 VanDerWaalsContact O-N 3.16Å; S342-F345 WeakPolarHBondContact OG-CB 3.26Å; F345-T347 PolarHBondContact O-N 3.47Å; F345-S348 PolarHBondContact O-N 2.96Å; F345-W349 HydrophobicContact CE1-CB 4.28Å; F345-W349 HydrophobicContact CE1-CD2 4.42Å; F345-W349 HydrophobicContact CE1-CE3 4.16Å; F345-W349 HydrophobicContact CE1-CG 4.5Å; F345-W349 HydrophobicContact CE2-CE3 4.38Å; F345-W349 HydrophobicContact CZ-CD2 4.28Å; F345-W349 AromaticContact CZ-CE3 3.58Å; F345-W349 HydrophobicContact CZ-CE3 3.58Å; F345-W349 HydrophobicContact CZ-CZ3 4.21Å; F345-W349 VanDerWaalsContact O-CB 3.26Å; F345-W349 WeakPolarHBondContact O-CB 3.43Å; F345-W349 PolarHBondContact O-N 2.86Å
346	Y	93.1	Very high	91	Very high	38 Å²	38	61.5 Å²	61.5	15%	0.149	30%	0.3	C	S	.	.	H	α-helix	trans	-58.1	-46.5	178.9	175.9	-110	0	0	0	113	E296 I338 K340 S342 W349 R350	E296-Y346 PolarHBondContact OE1-OH 3.01Å; E296-Y346 VanDerWaalsContact OE2-CE2 3.27Å; E296-Y346 WeakPolarHBondContact OE2-CE2 3.38Å; E296-Y346 PolarHBondContact OE2-OH 3.19Å; I338-Y346 HydrophobicContact CG2-CD2 3.86Å; K340-Y346 HydrophobicContact CG-CD2 4.41Å; K340-Y346 HydrophobicContact CG-CE1 4.5Å; K340-Y346 HydrophobicContact CG-CE2 3.96Å; S342-Y346 WeakPolarHBondContact O-CB 3.48Å; S342-Y346 PolarHBondContact O-N 3.18Å; Y346-W349 PolarHBondContact O-N 3.04Å; Y346-R350 HydrophobicContact CD2-CG 4.43Å; Y346-R350 HydrophobicContact CE1-CG 4.41Å; Y346-R350 HydrophobicContact CE2-CG 4.07Å; Y346-R350 VanDerWaalsContact CZ-NE 3.28Å; Y346-R350 WeakPolarHBondContact O-CB 3.42Å; Y346-R350 WeakPolarHBondContact O-CG 3.32Å; Y346-R350 PolarHBondContact O-N 3.23Å; Y346-R350 PolarHBondContact OH-NE 3.02Å; Y346-R350 PolarHBondContact OH-NH2 3.05Å
347	T	91.8	Very high	90.7	Very high	73 Å²	73	64.1 Å²	64.1	45%	0.448	31%	0.313	S	S	.	.	H	α-helix	trans	-65.2	-47.5	179.6	-50.6	0	0	0	0	110.7	T343 F345 W349 R350 D351	T343-T347 WeakPolarHBondContact O-CB 3.23Å; T343-T347 PolarHBondContact O-N 3.09Å; T343-T347 PolarHBondContact O-OG1 3.2Å; F345-T347 PolarHBondContact O-N 3.47Å; T347-W349 PolarHBondContact O-N 3.41Å; T347-R350 PolarHBondContact O-N 3.05Å; T347-D351 PolarHBondContact O-N 2.98Å
348	S	92	Very high	90.4	Very high	44 Å²	44	67.9 Å²	67.9	31%	0.308	33%	0.331	S	S	.	.	H	α-helix	trans	-59.3	-44	175.7	170.9	0	0	0	0	112.4	H344 F345 D351 E352	H344-S348 WeakPolarHBondContact O-CB 3.39Å; H344-S348 PolarHBondContact O-N 3.42Å; H344-S348 VanDerWaalsContact O-N 3.13Å; F345-S348 PolarHBondContact O-N 2.96Å; S348-D351 PolarHBondContact O-N 3.49Å; S348-E352 WeakPolarHBondContact O-CB 3.45Å; S348-E352 WeakPolarHBondContact O-CG 3.31Å; S348-E352 PolarHBondContact O-N 3.17Å; S348-E352 VanDerWaalsContact O-N 3.09Å
349	W	90.5	Very high	90.1	Very high	28 Å²	28	72.1 Å²	72.1	11%	0.106	35%	0.352	C	S	.	.	H	α-helix	trans	-63.3	-45	177	-176.3	-86	0	0	0	111.7	P248 F307 I338 F345 Y346 T347 D351 E352 K353	P248-W349 HydrophobicContact CB-CE3 4.21Å; P248-W349 HydrophobicContact CB-CH2 3.67Å; P248-W349 HydrophobicContact CB-CZ3 3.44Å; P248-W349 VanDerWaalsContact CB-CZ3 3.44Å; P248-W349 HydrophobicContact CG-CH2 3.6Å; P248-W349 HydrophobicContact CG-CZ2 4.15Å; P248-W349 HydrophobicContact CG-CZ3 3.91Å; F307-W349 HydrophobicContact CD1-CZ2 4.1Å; F307-W349 HydrophobicContact CD2-CZ2 4.15Å; F307-W349 HydrophobicContact CE1-CZ2 4.01Å; F307-W349 HydrophobicContact CE2-CH2 4.37Å; F307-W349 HydrophobicContact CE2-CZ2 4.01Å; F307-W349 HydrophobicContact CG-CZ2 4.15Å; F307-W349 HydrophobicContact CZ-CH2 4.19Å; F307-W349 AromaticContact CZ-CZ2 3.93Å; F307-W349 HydrophobicContact CZ-CZ2 3.93Å; I338-W349 HydrophobicContact CD1-CD2 4.06Å; I338-W349 HydrophobicContact CD1-CG 4.36Å; I338-W349 HydrophobicContact CD1-CZ2 4.2Å; F345-W349 HydrophobicContact CE1-CB 4.28Å; F345-W349 HydrophobicContact CE1-CD2 4.42Å; F345-W349 HydrophobicContact CE1-CE3 4.16Å; F345-W349 HydrophobicContact CE1-CG 4.5Å; F345-W349 HydrophobicContact CE2-CE3 4.38Å; F345-W349 HydrophobicContact CZ-CD2 4.28Å; F345-W349 AromaticContact CZ-CE3 3.58Å; F345-W349 HydrophobicContact CZ-CE3 3.58Å; F345-W349 HydrophobicContact CZ-CZ3 4.21Å; F345-W349 VanDerWaalsContact O-CB 3.26Å; F345-W349 WeakPolarHBondContact O-CB 3.43Å; F345-W349 PolarHBondContact O-N 2.86Å; Y346-W349 PolarHBondContact O-N 3.04Å; T347-W349 PolarHBondContact O-N 3.41Å; W349-D351 PolarHBondContact O-N 2.94Å; W349-E352 PolarHBondContact O-N 2.96Å; W349-K353 HydrophobicContact CD2-CB 4.18Å; W349-K353 HydrophobicContact CD2-CG 3.77Å; W349-K353 HydrophobicContact CE3-CG 3.93Å; W349-K353 HydrophobicContact CG-CB 4.38Å; W349-K353 HydrophobicContact CG-CG 4.22Å; W349-K353 HydrophobicContact CH2-CG 4.33Å; W349-K353 HydrophobicContact CZ2-CB 4.32Å; W349-K353 HydrophobicContact CZ2-CG 4.18Å; W349-K353 HydrophobicContact CZ3-CG 4.22Å; W349-K353 WeakPolarHBondContact O-CA 3.31Å; W349-K353 WeakPolarHBondContact O-CB 3.38Å; W349-K353 WeakPolarHBondContact O-CG 3.35Å; W349-K353 PolarHBondContact O-N 3.42Å
350	R	89.9	Confident	89.8	Confident	92 Å²	92	76.9 Å²	76.9	35%	0.347	38%	0.375	S	S	.	.	H	α-helix	trans	-58.6	-46	176.3	-82.4	-128.2	179.6	-165.9	0.7	112.2	E296 Y346 T347 I354	E296-R350 VanDerWaalsContact CD-NH2 3.32Å; E296-R350 IonicContact OE1-NH2 3.36Å; E296-R350 PolarHBondContact OE1-NH2 3.04Å; E296-R350 IonicContact OE2-CZ 3.67Å; E296-R350 IonicContact OE2-NE 2.66Å; E296-R350 IonicContact OE2-NH2 3.8Å; E296-R350 PolarHBondContact OE2-NH2 2.72Å; Y346-R350 HydrophobicContact CD2-CG 4.43Å; Y346-R350 HydrophobicContact CE1-CG 4.41Å; Y346-R350 HydrophobicContact CE2-CG 4.07Å; Y346-R350 VanDerWaalsContact CZ-NE 3.28Å; Y346-R350 WeakPolarHBondContact O-CB 3.42Å; Y346-R350 WeakPolarHBondContact O-CG 3.32Å; Y346-R350 PolarHBondContact O-N 3.23Å; Y346-R350 PolarHBondContact OH-NE 3.02Å; Y346-R350 PolarHBondContact OH-NH2 3.05Å; T347-R350 PolarHBondContact O-N 3.05Å; R350-I354 HydrophobicContact CB-CD1 4.16Å; R350-I354 HydrophobicContact CG-CD1 3.67Å; R350-I354 WeakPolarHBondContact O-CB 3.44Å; R350-I354 PolarHBondContact O-N 3.24Å
351	D	88.8	Confident	89.4	Confident	129 Å²	129	78.6 Å²	78.6	69%	0.69	39%	0.386	S	S	*	.	H	α-helix	trans	-70.4	-33.4	-175.8	-68.8	-18.7	0	0	0	112.8	T347 S348 W349	T347-D351 PolarHBondContact O-N 2.98Å; S348-D351 PolarHBondContact O-N 3.49Å; W349-D351 PolarHBondContact O-N 2.94Å
352	E	87.4	Confident	89.1	Confident	133 Å²	133	77.5 Å²	77.5	62%	0.621	39%	0.388	S	S	*	.	H	α-helix	trans	-90.2	-34.9	-177.4	-71.8	-178.3	-165.6	0	0	114.4	S348 W349	S348-E352 WeakPolarHBondContact O-CB 3.45Å; S348-E352 WeakPolarHBondContact O-CG 3.31Å; S348-E352 PolarHBondContact O-N 3.17Å; S348-E352 VanDerWaalsContact O-N 3.09Å; W349-E352 PolarHBondContact O-N 2.96Å
353	K	83	Confident	89	Confident	78 Å²	78	82.3 Å²	82.3	34%	0.339	41%	0.409	S	S	.	.	H	α-helix	trans	-112.4	-21.6	-160.7	-56.4	-58.5	-179.2	-170.8	0	114	K306 F307 W349	K306-K353 CarbonylContact C-O 3.58Å; K306-K353 WeakPolarHBondContact CA-O 3.48Å; F307-K353 HydrophobicContact CD2-CB 3.61Å; F307-K353 HydrophobicContact CD2-CG 4.43Å; F307-K353 WeakPolarHBondContact CD2-O 3.3Å; F307-K353 HydrophobicContact CE2-CB 4.15Å; F307-K353 HydrophobicContact CE2-CD 4.31Å; F307-K353 HydrophobicContact CG-CB 4.4Å; F307-K353 PolarHBondContact N-O 3.24Å; W349-K353 HydrophobicContact CD2-CB 4.18Å; W349-K353 HydrophobicContact CD2-CG 3.77Å; W349-K353 HydrophobicContact CE3-CG 3.93Å; W349-K353 HydrophobicContact CG-CB 4.38Å; W349-K353 HydrophobicContact CG-CG 4.22Å; W349-K353 HydrophobicContact CH2-CG 4.33Å; W349-K353 HydrophobicContact CZ2-CB 4.32Å; W349-K353 HydrophobicContact CZ2-CG 4.18Å; W349-K353 HydrophobicContact CZ3-CG 4.22Å; W349-K353 WeakPolarHBondContact O-CA 3.31Å; W349-K353 WeakPolarHBondContact O-CB 3.38Å; W349-K353 WeakPolarHBondContact O-CG 3.35Å; W349-K353 PolarHBondContact O-N 3.42Å
354	I	78.7	Confident	89	Confident	71 Å²	71	80.7 Å²	80.7	36%	0.364	39%	0.391	S	S	.	.			trans	-97.8	0	179.1	-55.9	175.3	0	0	0	109.2	Y298 K306 F307 R350	Y298-I354 HydrophobicContact CD1-CD1 4.37Å; Y298-I354 HydrophobicContact CD1-CG1 4.48Å; Y298-I354 HydrophobicContact CE1-CD1 3.38Å; Y298-I354 HydrophobicContact CE1-CG1 3.9Å; Y298-I354 VanDerWaalsContact OH-CD1 3.27Å; Y298-I354 WeakPolarHBondContact OH-CD1 3.45Å; K306-I354 WeakPolarHBondContact CD-O 3.25Å; K306-I354 PolarHBondContact NZ-O 3.28Å; K306-I354 PolarHBondContact NZ-OXT 2.77Å; F307-I354 HydrophobicContact CB-CG1 4.45Å; R350-I354 HydrophobicContact CB-CD1 4.16Å; R350-I354 HydrophobicContact CG-CD1 3.67Å; R350-I354 WeakPolarHBondContact O-CB 3.44Å; R350-I354 PolarHBondContact O-N 3.24Å

Retrieved 354 of 354 residues in 430.3 ms (Link to these results)

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