A0A087YSF4_POEFO Loading...

Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase

AlphaFold DB , UniProt , Accession A0A087YSF4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 470 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	54	Low	54.3	Low	228 Å²	228	169.5 Å²	169.5	100%	1.123	74%	0.741	S	S	*	*				0	5.9	0	-93.6	-179.5	-172.6	0	0	116.2
2	R	52.6	Low	55.5	Low	236 Å²	236	164.5 Å²	164.5	89%	0.891	73%	0.726	S	S	*	*			trans	-96.3	-2.6	175.7	-78.7	-176.5	174.5	178.4	-1.5	116.1
3	F	43.9	Very low	56.1	Low	190 Å²	190	161.7 Å²	161.7	83%	0.833	72%	0.722	S	S	*	*	S	Bend	trans	-93.8	-8.5	179.5	-101.4	-89.9	0	0	0	115.6
4	R	49.5	Very low	56.6	Low	226 Å²	226	156 Å²	156	85%	0.853	71%	0.706	S	S	*	*	H	α-helix	trans	-91.3	-12.1	178.3	-88.6	-178.1	168.8	164.5	-3.1	114.4
5	I	52.9	Low	57.2	Low	106 Å²	106	152.2 Å²	152.2	54%	0.544	69%	0.694	S	S	.	*	H	α-helix	trans	-87.4	-28.5	-179.1	-61.7	174.2	0	0	0	111.5
6	Y	48.5	Very low	57.9	Low	188 Å²	188	147.9 Å²	147.9	74%	0.737	68%	0.682	S	S	*	*	H	α-helix	trans	-73.7	-37.6	-178	-130.7	-96.1	0	0	0	113.1	R8 K9 V10	Y6-R8 PolarHBondContact O-N 3.45Å; Y6-K9 PolarHBondContact O-N 3.41Å; Y6-V10 HydrophobicContact CD1-CG2 4.45Å; Y6-V10 WeakPolarHBondContact O-CG2 3.31Å; Y6-V10 PolarHBondContact O-N 2.98Å
7	K	50.8	Low	58.4	Low	171 Å²	171	145.4 Å²	145.4	74%	0.743	68%	0.679	S	S	*	*	H	α-helix	trans	-68.7	-30.2	178.7	-75.1	-170.3	174.2	-174.1	0	113.7	V11	K7-V11 WeakPolarHBondContact O-CG2 3.42Å; K7-V11 PolarHBondContact O-N 3.19Å
8	R	55.2	Low	58.8	Low	201 Å²	201	142.2 Å²	142.2	76%	0.758	67%	0.671	S	S	*	*	H	α-helix	trans	-73.2	-34	176.7	-99.4	-177.5	173.9	-177.1	-2.1	113.1	Y6 I12	Y6-R8 PolarHBondContact O-N 3.45Å; R8-I12 WeakPolarHBondContact O-CD1 3.09Å; R8-I12 VanDerWaalsContact O-CG1 3.31Å; R8-I12 WeakPolarHBondContact O-CG1 3.49Å; R8-I12 PolarHBondContact O-N 3.43Å
9	K	55.7	Low	58.9	Low	152 Å²	152	140.6 Å²	140.6	66%	0.661	67%	0.666	S	S	*	*	H	α-helix	trans	-75	-34.2	179.4	-70.2	-169.9	175.7	-170.3	0	113	Y6 L13	Y6-K9 PolarHBondContact O-N 3.41Å; K9-L13 PolarHBondContact O-N 2.61Å
10	V	67.1	Low	58.7	Low	82 Å²	82	137.6 Å²	137.6	50%	0.497	66%	0.66	S	S	.	*	H	α-helix	trans	-70.2	-39.1	177.9	177.3	0	0	0	0	111.6	Y6 L13 T14	Y6-V10 HydrophobicContact CD1-CG2 4.45Å; Y6-V10 WeakPolarHBondContact O-CG2 3.31Å; Y6-V10 PolarHBondContact O-N 2.98Å; V10-L13 PolarHBondContact O-N 3.35Å; V10-T14 PolarHBondContact O-N 3.13Å; V10-T14 VanDerWaalsContact O-N 3.14Å; V10-T14 PolarHBondContact O-OG1 3.25Å
11	V	67	Low	58.3	Low	85 Å²	85	133.1 Å²	133.1	52%	0.515	65%	0.65	S	S	.	*	H	α-helix	trans	-67.4	-38.6	179	173.2	0	0	0	0	112.4	K7 T14 L15	K7-V11 WeakPolarHBondContact O-CG2 3.42Å; K7-V11 PolarHBondContact O-N 3.19Å; V11-T14 WeakPolarHBondContact CA-OG1 3.42Å; V11-T14 PolarHBondContact O-N 3.48Å; V11-T14 PolarHBondContact O-OG1 2.72Å; V11-L15 HydrophobicContact CG1-CD1 4.31Å; V11-L15 PolarHBondContact O-N 3.05Å; V11-L15 VanDerWaalsContact O-N 3.16Å
12	I	68.3	Low	57.9	Low	109 Å²	109	128.1 Å²	128.1	56%	0.559	63%	0.627	S	S	*	*	H	α-helix	trans	-67	-39.8	176.8	-66.3	168.7	0	0	0	110.8	R8 T14 L15 V16	R8-I12 WeakPolarHBondContact O-CD1 3.09Å; R8-I12 VanDerWaalsContact O-CG1 3.31Å; R8-I12 WeakPolarHBondContact O-CG1 3.49Å; R8-I12 PolarHBondContact O-N 3.43Å; I12-T14 PolarHBondContact O-N 2.98Å; I12-L15 PolarHBondContact O-N 3.31Å; I12-V16 WeakPolarHBondContact O-CG2 3.35Å; I12-V16 PolarHBondContact O-N 3.33Å; I12-V16 VanDerWaalsContact O-N 3.16Å
13	L	63.7	Low	57.6	Low	128 Å²	128	120.3 Å²	120.3	67%	0.67	61%	0.613	S	S	*	*	H	α-helix	trans	-66.8	-38	179.4	-155.5	77.7	0	0	0	111.9	K9 V10 V17	K9-L13 PolarHBondContact O-N 2.61Å; V10-L13 PolarHBondContact O-N 3.35Å; L13-V17 WeakPolarHBondContact O-CG2 3.34Å; L13-V17 PolarHBondContact O-N 2.03Å
14	T	63.6	Low	57.3	Low	82 Å²	82	120.6 Å²	120.6	50%	0.503	61%	0.614	S	S	.	*	H	α-helix	trans	-68	-34.4	174.2	32.6	0	0	0	0	113.6	V10 V11 I12 V18	V10-T14 PolarHBondContact O-N 3.13Å; V10-T14 VanDerWaalsContact O-N 3.14Å; V10-T14 PolarHBondContact O-OG1 3.25Å; V11-T14 WeakPolarHBondContact CA-OG1 3.42Å; V11-T14 PolarHBondContact O-N 3.48Å; V11-T14 PolarHBondContact O-OG1 2.72Å; I12-T14 PolarHBondContact O-N 2.98Å; T14-V18 WeakPolarHBondContact O-CG2 3.36Å; T14-V18 PolarHBondContact O-N 2.92Å
15	L	65.6	Low	56.8	Low	99 Å²	99	121.2 Å²	121.2	52%	0.518	62%	0.617	S	S	.	*	H	α-helix	trans	-70.1	-36.8	177.4	-98	155.7	0	0	0	112.6	V11 I12 V18 I19	V11-L15 HydrophobicContact CG1-CD1 4.31Å; V11-L15 PolarHBondContact O-N 3.05Å; V11-L15 VanDerWaalsContact O-N 3.16Å; I12-L15 PolarHBondContact O-N 3.31Å; L15-V18 PolarHBondContact O-N 3.47Å; L15-I19 VanDerWaalsContact O-CG1 3.29Å; L15-I19 WeakPolarHBondContact O-CG1 3.1Å; L15-I19 PolarHBondContact O-N 2.82Å; L15-I19 VanDerWaalsContact O-N 3.13Å
16	V	68.3	Low	56	Low	84 Å²	84	120.5 Å²	120.5	51%	0.509	62%	0.621	S	S	.	*	H	α-helix	trans	-67.3	-38.4	176.5	174.1	0	0	0	0	111.5	I12 I19 C20	I12-V16 WeakPolarHBondContact O-CG2 3.35Å; I12-V16 PolarHBondContact O-N 3.33Å; I12-V16 VanDerWaalsContact O-N 3.16Å; V16-I19 PolarHBondContact O-N 3.1Å; V16-C20 PolarHBondContact O-N 3.49Å; V16-C20 VanDerWaalsContact O-N 3.09Å; V16-C20 PolarHBondContact O-SG 2.76Å
17	V	65.7	Low	55.3	Low	104 Å²	104	117.6 Å²	117.6	63%	0.63	63%	0.628	S	S	*	*	H	α-helix	trans	-68.2	-35.6	178.4	174.1	0	0	0	0	112.1	L13 G21	L13-V17 WeakPolarHBondContact O-CG2 3.34Å; L13-V17 PolarHBondContact O-N 2.03Å; V17-G21 PolarHBondContact O-N 2.86Å; V17-G21 VanDerWaalsContact O-N 3.15Å
18	V	65.6	Low	54.3	Low	88 Å²	88	113.3 Å²	113.3	53%	0.533	63%	0.633	S	S	.	*	H	α-helix	trans	-72.9	-37.7	177.5	173.8	0	0	0	0	112	T14 L15 G21 L22	T14-V18 WeakPolarHBondContact O-CG2 3.36Å; T14-V18 PolarHBondContact O-N 2.92Å; L15-V18 PolarHBondContact O-N 3.47Å; V18-G21 PolarHBondContact O-N 3.45Å; V18-L22 HydrophobicContact CG1-CD1 4.2Å; V18-L22 PolarHBondContact O-N 2.98Å
19	I	62	Low	53.1	Low	112 Å²	112	115.2 Å²	115.2	57%	0.574	64%	0.64	S	S	*	*	H	α-helix	trans	-71.1	-38.2	179.3	-67.3	169	0	0	0	111.4	L15 V16 A23	L15-I19 VanDerWaalsContact O-CG1 3.29Å; L15-I19 WeakPolarHBondContact O-CG1 3.1Å; L15-I19 PolarHBondContact O-N 2.82Å; L15-I19 VanDerWaalsContact O-N 3.13Å; V16-I19 PolarHBondContact O-N 3.1Å; I19-A23 PolarHBondContact O-N 3.34Å
20	C	53.4	Low	51.9	Low	80 Å²	80	117.6 Å²	117.6	54%	0.541	65%	0.654	S	S	.	*	H	α-helix	trans	-71.2	-29.8	174.9	-69.2	0	0	0	0	113	V16	V16-C20 PolarHBondContact O-N 3.49Å; V16-C20 VanDerWaalsContact O-N 3.09Å; V16-C20 PolarHBondContact O-SG 2.76Å
21	G	50.5	Low	50.2	Low	44 Å²	44	122.4 Å²	122.4	45%	0.454	67%	0.668	S	S	.	*	H	α-helix	trans	-71.3	-28	176.8	0	0	0	0	0	114.5	V17 V18	V17-G21 PolarHBondContact O-N 2.86Å; V17-G21 VanDerWaalsContact O-N 3.15Å; V18-G21 PolarHBondContact O-N 3.45Å
22	L	46.3	Very low	48.5	Very low	124 Å²	124	126.8 Å²	126.8	65%	0.649	68%	0.68	S	S	*	*	H	α-helix	trans	-87.2	-24.9	179.1	-71.7	167.5	0	0	0	113.2	V18 F24	V18-L22 HydrophobicContact CG1-CD1 4.2Å; V18-L22 PolarHBondContact O-N 2.98Å; L22-F24 VanDerWaalsContact C-N 3.35Å; L22-F24 PolarHBondContact O-N 2.93Å
23	A	45.3	Very low	46.5	Very low	71 Å²	71	128.2 Å²	128.2	59%	0.587	69%	0.689	S	S	*	*	H	α-helix	trans	-74.7	-19.1	179.1	0	0	0	0	0	114.2	I19	I19-A23 PolarHBondContact O-N 3.34Å
24	F	39.3	Very low	44.8	Very low	196 Å²	196	129.7 Å²	129.7	86%	0.86	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	-7.4	178.4	-101.1	-87.3	0	0	0	114.6	L22	L22-F24 VanDerWaalsContact C-N 3.35Å; L22-F24 PolarHBondContact O-N 2.93Å
25	W	37.9	Very low	43	Very low	240 Å²	240	131.3 Å²	131.3	91%	0.909	71%	0.705	S	S	*	*	S	Bend	trans	-96.7	-9.7	-179.9	-144.2	-52.1	0	0	0	113.3
26	S	36.5	Very low	41.1	Very low	90 Å²	90	133.5 Å²	133.5	63%	0.629	72%	0.717	S	S	*	*	S	Bend	trans	-118	63.8	-177.5	68.7	0	0	0	0	113.1
27	S	33.1	Very low	39.1	Very low	127 Å²	127	138 Å²	138	89%	0.888	73%	0.73	S	S	*	*	S	Bend	trans	-162.4	114.2	156	-98.8	0	0	0	0	111.4
28	G	30.8	Very low	37.2	Very low	82 Å²	82	137.4 Å²	137.4	85%	0.845	73%	0.73	S	S	*	*			trans	134.4	56.8	161.6	0	0	0	0	0	116.3
29	R	28.9	Very low	35.4	Very low	240 Å²	240	142.8 Å²	142.8	91%	0.906	75%	0.746	S	S	*	*			trans	-143.5	98.3	158.9	-140	178.5	-169.3	-175.7	5	111.5
30	Q	30.7	Very low	33.6	Very low	203 Å²	203	145.8 Å²	145.8	95%	0.949	76%	0.758	S	S	*	*			trans	-133.9	134.3	148.8	-88.2	-153.7	-17	0	0	110.1
31	K	31.8	Very low	32.3	Very low	182 Å²	182	152 Å²	152	79%	0.791	78%	0.776	S	S	*	*			trans	-75.2	159.6	179.6	-63.1	166.6	160.9	171.4	0	109.8
32	K	31.2	Very low	31.4	Very low	177 Å²	177	155.1 Å²	155.1	77%	0.77	79%	0.789	S	S	*	*				-179	140.4	62.3	-125.4	170.3	-172.3	-177.4	0	110.9
33	N	25.8	Very low	30.4	Very low	140 Å²	140	159.4 Å²	159.4	75%	0.749	80%	0.802	S	S	*	*			trans	49.6	121.9	143.5	-59.7	-5.7	0	0	0	122.7
34	I	27.6	Very low	29.5	Very low	159 Å²	159	165 Å²	165	82%	0.815	82%	0.816	S	S	*	*				-169.3	116.2	105.1	-86.8	154	0	0	0	110
35	T	26.2	Very low	28.8	Very low	115 Å²	115	165.8 Å²	165.8	71%	0.706	82%	0.82	S	S	*	*			trans	16.6	119.7	141.3	-10.4	0	0	0	0	121.2
36	L	25.8	Very low	28.2	Very low	145 Å²	145	163.4 Å²	163.4	76%	0.759	82%	0.819	S	S	*	*				173.1	127.7	100.5	-117.9	106.5	0	0	0	111.3
37	F	27.4	Very low	27.6	Very low	180 Å²	180	163.6 Å²	163.6	79%	0.789	83%	0.825	S	S	*	*			trans	29	139.3	151.2	-69.1	-102.3	0	0	0	120.8
38	S	26	Very low	27.2	Very low	90 Å²	90	163.7 Å²	163.7	63%	0.629	82%	0.82	S	S	*	*			cis	178.9	148.5	-6.9	-102.7	0	0	0	0	106.9
39	K	26.6	Very low	27	Very low	201 Å²	201	169.1 Å²	169.1	87%	0.874	82%	0.821	S	S	*	*			trans	81.4	93	152.6	-74.2	-179.8	174.7	179.9	0	120.2
40	E	24.2	Very low	26.8	Very low	175 Å²	175	169.6 Å²	169.6	82%	0.818	82%	0.823	S	S	*	*			trans	-40.5	152.4	144.3	-60.9	164.2	139.1	0	0	115.3
41	F	27.3	Very low	26.5	Very low	210 Å²	210	166 Å²	166	92%	0.921	82%	0.819	S	S	*	*				-147.6	148.3	116.3	-100.9	-82	0	0	0	110
42	P	30	Very low	26.2	Very low	111 Å²	111	162.9 Å²	162.9	72%	0.721	82%	0.821	S	S	*	*			trans	-100.6	158.3	-158.2	35.9	-26.8	0	0	0	114.6
43	K	25.1	Very low	25.9	Very low	213 Å²	213	160.3 Å²	160.3	93%	0.926	83%	0.825	S	S	*	*			trans	-78.5	136.6	159	-74.5	174.8	174.7	175.4	0	108.7
44	E	27.1	Very low	25.9	Very low	189 Å²	189	161.8 Å²	161.8	88%	0.883	83%	0.832	S	S	*	*			trans	-134.9	124.7	161.8	-146	172.8	-158.9	0	0	108.9
45	F	24.7	Very low	25.9	Very low	213 Å²	213	160.2 Å²	160.2	93%	0.934	84%	0.835	S	S	*	*			trans	-140.4	116.2	167.8	-118.1	-81.3	0	0	0	104.3
46	E	25.2	Very low	25.8	Very low	190 Å²	190	160 Å²	160	89%	0.888	84%	0.839	S	S	*	*			trans	-148.6	138.4	156.1	-121.9	179.7	-170.8	0	0	110.7
47	A	23.9	Very low	25.9	Very low	93 Å²	93	158.4 Å²	158.4	77%	0.769	84%	0.839	S	S	*	*			trans	-96.9	137.5	180	0	0	0	0	0	109.3
48	V	25.6	Very low	25.9	Very low	130 Å²	130	155.4 Å²	155.4	79%	0.788	84%	0.841	S	S	*	*			trans	-142.2	113.6	160.7	-177.6	0	0	0	0	112.3
49	K	25.8	Very low	25.8	Very low	195 Å²	195	154.8 Å²	154.8	85%	0.848	85%	0.849	S	S	*	*			trans	23.3	133	138.3	-71	173.8	174.5	173	0	122.1
50	R	25	Very low	25.7	Very low	251 Å²	251	150.3 Å²	150.3	95%	0.947	84%	0.843	S	S	*	*			trans	-40.5	142.3	147.4	-73.5	173.8	168.3	171.7	-4.7	114.2
51	S	25.3	Very low	25.8	Very low	126 Å²	126	149.1 Å²	149.1	88%	0.881	84%	0.841	S	S	*	*			trans	-128.4	126.9	150.7	48.2	0	0	0	0	109.6
52	S	25.1	Very low	25.8	Very low	117 Å²	117	146.6 Å²	146.6	82%	0.818	84%	0.837	S	S	*	*			trans	-106.5	132.1	169.4	49.6	0	0	0	0	107.9
53	S	25.1	Very low	25.7	Very low	123 Å²	123	148.4 Å²	148.4	86%	0.86	84%	0.841	S	S	*	*			trans	-111.5	136.2	166.9	45.7	0	0	0	0	110.3
54	L	25.6	Very low	25.8	Very low	171 Å²	171	147.5 Å²	147.5	90%	0.895	84%	0.84	S	S	*	*			trans	-75	154.1	-179.6	-66.7	102.4	0	0	0	112.4
55	S	26.4	Very low	25.8	Very low	127 Å²	127	145.5 Å²	145.5	89%	0.888	83%	0.833	S	S	*	*			trans	-147.5	143.5	135.9	63	0	0	0	0	110.9
56	S	24.7	Very low	25.9	Very low	111 Å²	111	143.2 Å²	143.2	78%	0.776	83%	0.826	S	S	*	*			trans	-104.5	151.2	-164.3	49.3	0	0	0	0	112.7
57	S	27.2	Very low	26	Very low	110 Å²	110	140.9 Å²	140.9	77%	0.769	82%	0.819	S	S	*	*			trans	-169.5	122.3	137.5	27.2	0	0	0	0	112.9
58	S	27.7	Very low	26.1	Very low	117 Å²	117	145 Å²	145	82%	0.818	82%	0.822	S	S	*	*			trans	14.3	136.2	142.8	52.7	0	0	0	0	119.7
59	G	24.1	Very low	26.2	Very low	78 Å²	78	143.5 Å²	143.5	80%	0.804	82%	0.823	S	S	*	*			cis	103.4	96.8	15.3	0	0	0	0	0	113
60	S	25.4	Very low	26.3	Very low	107 Å²	107	140.7 Å²	140.7	75%	0.748	82%	0.822	S	S	*	*			trans	-176.2	107.2	149.5	-139.7	0	0	0	0	110.4
61	L	26.5	Very low	26.8	Very low	150 Å²	150	134.6 Å²	134.6	79%	0.785	82%	0.815	S	S	*	*				77.9	105.8	101.9	-84.8	155.6	0	0	0	115.7
62	N	26.2	Very low	26.9	Very low	157 Å²	157	133.3 Å²	133.3	84%	0.84	81%	0.813	S	S	*	*				-171.1	127.6	110.3	-99.1	-13	0	0	0	112.3
63	N	27.2	Very low	27.2	Very low	148 Å²	148	134.8 Å²	134.8	79%	0.791	82%	0.816	S	S	*	*			trans	-86.9	138.3	166.9	-86.8	-23.5	0	0	0	109.1
64	H	27.6	Very low	27.5	Very low	195 Å²	195	134.6 Å²	134.6	90%	0.903	82%	0.815	S	S	*	*			trans	-142.2	120.1	143.5	-106.9	-67.8	0	0	0	109.8
65	I	28.1	Very low	27.8	Very low	146 Å²	146	137.5 Å²	137.5	75%	0.749	81%	0.814	S	S	*	*			trans	-73.9	143	163.9	-66.4	166.8	0	0	0	106.7
66	Q	26.6	Very low	28	Very low	165 Å²	165	136 Å²	136	77%	0.771	81%	0.81	S	S	*	*				165.8	130.9	110.7	-154.3	155.4	4.1	0	0	115.1
67	L	26.3	Very low	28.4	Very low	142 Å²	142	136.8 Å²	136.8	74%	0.743	81%	0.812	S	S	*	*			trans	72.3	138.6	147	-101.3	75.4	0	0	0	125.2
68	Q	26.6	Very low	28.9	Very low	179 Å²	179	137.9 Å²	137.9	84%	0.836	81%	0.814	S	S	*	*			trans	-51.2	148.6	170.2	-67.5	158.3	-47.5	0	0	115.6
69	A	27.8	Very low	29.3	Very low	99 Å²	99	137.6 Å²	137.6	82%	0.818	81%	0.809	S	S	*	*				-174.8	121.3	126.4	0	0	0	0	0	111.6
70	T	28.3	Very low	29.8	Very low	135 Å²	135	139.5 Å²	139.5	83%	0.828	81%	0.807	S	S	*	*			trans	-98.9	166	142.5	46.1	0	0	0	0	106.7
71	P	35.8	Very low	30.1	Very low	123 Å²	123	139.9 Å²	139.9	80%	0.799	81%	0.807	S	S	*	*			cis	-137.8	166.8	14.7	39.3	-21	0	0	0	115.1
72	A	27.1	Very low	30.3	Very low	100 Å²	100	139.3 Å²	139.3	83%	0.826	81%	0.81	S	S	*	*			trans	-163	125.4	147	0	0	0	0	0	111.8
73	V	32	Very low	30.5	Very low	147 Å²	147	139.1 Å²	139.1	89%	0.891	81%	0.807	S	S	*	*			trans	-63.3	130.7	166.5	172.6	0	0	0	0	109
74	S	30.8	Very low	30.7	Very low	119 Å²	119	140.9 Å²	140.9	83%	0.832	81%	0.81	S	S	*	*			trans	-142.4	146.5	162.5	-155	0	0	0	0	112.2
75	R	31.2	Very low	30.8	Very low	232 Å²	232	136.2 Å²	136.2	88%	0.875	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-73.6	152.9	-157	-67.6	168	170.3	171.5	-5.1	113.5
76	A	31.5	Very low	30.9	Very low	97 Å²	97	137.4 Å²	137.4	80%	0.802	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-61.5	137.8	169.9	0	0	0	0	0	112.2
77	P	32.7	Very low	31	Very low	126 Å²	126	132.9 Å²	132.9	82%	0.818	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-89.2	132.5	166.7	-2.6	21.8	0	0	0	111.8
78	V	37.8	Very low	31.1	Very low	133 Å²	133	132.3 Å²	132.3	81%	0.806	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-66.9	144.9	169	175.9	0	0	0	0	110.1
79	P	35.6	Very low	31.5	Very low	112 Å²	112	131.9 Å²	131.9	73%	0.727	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-76.3	148.1	-178.7	31.2	-36.4	0	0	0	113
80	P	34.7	Very low	31.7	Very low	117 Å²	117	135.6 Å²	135.6	76%	0.76	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-80.5	162.6	174.9	32	-31.7	0	0	0	112.9
81	P	32.3	Very low	32.1	Very low	116 Å²	116	135.8 Å²	135.8	75%	0.753	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-80.6	153.4	-165.3	32.4	-34.1	0	0	0	113.8	I83	P81-I83 PolarHBondContact O-N 3.14Å
82	V	30.6	Very low	32.1	Very low	138 Å²	138	137.6 Å²	137.6	84%	0.836	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-66.1	121.6	174.1	177.4	0	0	0	0	110.1
83	I	29.8	Very low	32.5	Very low	152 Å²	152	137.5 Å²	137.5	78%	0.779	82%	0.815	S	S	*	*			trans	-114.1	118.6	165.3	-62.2	178.1	0	0	0	107.6	P81	P81-I83 PolarHBondContact O-N 3.14Å
84	Q	31.5	Very low	32.6	Very low	185 Å²	185	140.3 Å²	140.3	86%	0.864	82%	0.815	S	S	*	*			trans	-77.9	130.5	166.6	-72.7	179	-12.2	0	0	109.3
85	A	30.4	Very low	32.8	Very low	97 Å²	97	142.9 Å²	142.9	80%	0.802	82%	0.819	S	S	*	*			trans	-142	126.3	162.4	0	0	0	0	0	109.4
86	N	29.2	Very low	33.2	Very low	171 Å²	171	141 Å²	141	91%	0.914	82%	0.817	S	S	*	*			trans	-83.7	148.8	178.6	-84.9	-22.9	0	0	0	112.1
87	G	29.4	Very low	33.8	Very low	70 Å²	70	140.7 Å²	140.7	72%	0.722	82%	0.815	S	S	*	*			trans	77.1	139	159	0	0	0	0	0	114.5
88	T	28.9	Very low	34.2	Very low	131 Å²	131	144 Å²	144	80%	0.804	82%	0.817	S	S	*	*			cis	-171.4	156	14.9	24.8	0	0	0	0	106.4
89	H	34.4	Very low	34.7	Very low	169 Å²	169	144 Å²	144	78%	0.782	81%	0.809	S	S	*	*			trans	65.6	102.7	166.7	-84.4	-79.8	0	0	0	117.9
90	L	32	Very low	35.5	Very low	177 Å²	177	145.4 Å²	145.4	93%	0.927	81%	0.811	S	S	*	*			trans	-168.3	69.1	133.5	-95.4	158.5	0	0	0	106.3	D92	L90-D92 PolarHBondContact O-N 3.37Å
91	D	36.3	Very low	36.4	Very low	139 Å²	139	149.1 Å²	149.1	74%	0.743	82%	0.815	S	S	*	*			trans	-71.9	108.9	158.1	-70.6	-46.6	0	0	0	106.2
92	D	35.9	Very low	37.8	Very low	162 Å²	162	146.7 Å²	146.7	87%	0.866	80%	0.799	S	S	*	*			trans	163.8	66.3	153.6	-82.5	-22.4	0	0	0	110.5	L90	L90-D92 PolarHBondContact O-N 3.37Å
93	A	36.6	Very low	39.7	Very low	97 Å²	97	148.9 Å²	148.9	80%	0.802	80%	0.8	S	S	*	*			trans	-168.6	36.9	163	0	0	0	0	0	113.3
94	K	32.7	Very low	41.8	Very low	207 Å²	207	144 Å²	144	90%	0.9	78%	0.777	S	S	*	*			trans	-116	36.8	179.5	-98.8	-172.1	-176.5	175.2	0	114.1	K96	K94-K96 VanDerWaalsContact C-N 3.29Å; K94-K96 PolarHBondContact O-N 3.23Å
95	D	36	Very low	44.4	Very low	172 Å²	172	140 Å²	140	92%	0.92	76%	0.762	S	S	*	*			trans	-94.1	63	155.5	-80.7	-31.5	0	0	0	110	A97	D95-A97 PolarHBondContact O-N 3.16Å
96	K	39.5	Very low	47	Very low	192 Å²	192	141 Å²	141	84%	0.835	75%	0.754	S	S	*	*			trans	-79.3	109.1	157.8	-84.4	-171.4	176.5	-178	0	106.8	K94 K98	K94-K96 VanDerWaalsContact C-N 3.29Å; K94-K96 PolarHBondContact O-N 3.23Å; K96-K98 PolarHBondContact O-N 3.16Å
97	A	43.6	Very low	49.9	Very low	92 Å²	92	135 Å²	135	76%	0.76	73%	0.728	S	S	*	*			trans	-24.9	100.8	170.6	0	0	0	0	0	112.6	D95 M99	D95-A97 PolarHBondContact O-N 3.16Å; A97-M99 PolarHBondContact O-N 3.32Å
98	K	40.8	Very low	52.9	Low	195 Å²	195	132.3 Å²	132.3	85%	0.848	70%	0.698	S	S	*	*			trans	-65.9	85.3	153.1	-94.1	-179.3	174.5	175.8	0	105.6	K96 N100	K96-K98 PolarHBondContact O-N 3.16Å; K98-N100 VanDerWaalsContact C-N 3.31Å; K98-N100 PolarHBondContact O-N 3.49Å
99	M	49.5	Very low	56	Low	132 Å²	132	130.3 Å²	130.3	65%	0.65	68%	0.682	S	S	*	*			trans	-61.4	104.3	161	-120.4	166.4	66.3	0	0	105.3	A97 K101 R214	A97-M99 PolarHBondContact O-N 3.32Å; M99-K101 PolarHBondContact O-N 3.5Å; M99-R214 HydrophobicContact CE-CG 3.82Å
100	N	50.7	Low	58.9	Low	142 Å²	142	125.7 Å²	125.7	76%	0.759	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-51.8	132.2	171.3	-71.3	-27.1	0	0	0	107.2	K98	K98-N100 VanDerWaalsContact C-N 3.31Å; K98-N100 PolarHBondContact O-N 3.49Å
101	K	55.4	Low	62	Low	196 Å²	196	120.5 Å²	120.5	85%	0.852	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-50.4	133	169.3	-86.6	-176.4	175.8	-178.4	0	107	M99 E103	M99-K101 PolarHBondContact O-N 3.5Å; K101-E103 PolarHBondContact O-N 3.3Å
102	P	59.9	Low	64.9	Low	64 Å²	64	116.7 Å²	116.7	42%	0.416	61%	0.609	S	S	.	*	P	Polyproline II helix	trans	-54	121.6	177.2	19.2	-28.4	0	0	0	108.1	V104 Q206	P102-V104 PolarHBondContact O-N 3.48Å; P102-Q206 HydrophobicContact CB-CB 4.22Å; P102-Q206 VanDerWaalsContact CB-OE1 3.25Å; P102-Q206 HydrophobicContact CG-CB 4.47Å
103	E	71.6	Confident	67.8	Low	184 Å²	184	111 Å²	111	86%	0.86	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-66.7	116.8	176.5	-169.5	173.1	-178.4	0	0	107	K101 D105	K101-E103 PolarHBondContact O-N 3.3Å; E103-D105 PolarHBondContact O-N 3.44Å
104	V	74.2	Confident	70.7	Confident	49 Å²	49	108.8 Å²	108.8	30%	0.297	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-71.6	116.6	179.5	-178.9	0	0	0	0	107.2	P102 T108 L109	P102-V104 PolarHBondContact O-N 3.48Å; V104-T108 HydrophobicContact CG1-CG2 3.65Å; V104-L109 HydrophobicContact CB-CD2 4.25Å; V104-L109 HydrophobicContact CB-CG 4.37Å; V104-L109 HydrophobicContact CG1-CD2 3.79Å; V104-L109 HydrophobicContact CG1-CG 3.88Å
105	D	84.4	Confident	73.8	Confident	101 Å²	101	99.2 Å²	99.2	54%	0.54	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-54.6	144.7	178.2	174.2	54.6	0	0	0	111.4	E103 A107 T108 L109	E103-D105 PolarHBondContact O-N 3.44Å; D105-A107 PolarHBondContact O-N 3.09Å; D105-A107 VanDerWaalsContact O-N 3.16Å; D105-A107 VanDerWaalsContact OD2-CB 3.24Å; D105-A107 WeakPolarHBondContact OD2-CB 3.39Å; D105-A107 PolarHBondContact OD2-N 3.13Å; D105-T108 WeakPolarHBondContact O-CB 3.5Å; D105-T108 PolarHBondContact O-N 2.73Å; D105-L109 PolarHBondContact O-N 3.11Å
106	N	86.1	Confident	76.7	Confident	120 Å²	120	97.8 Å²	97.8	64%	0.642	51%	0.507	S	S	*	.	H	α-helix	trans	-57.4	-35.4	-174.6	-168.5	19.1	0	0	0	111.9	T108 L109 V110	N106-T108 VanDerWaalsContact C-N 3.31Å; N106-T108 PolarHBondContact O-N 3.1Å; N106-L109 PolarHBondContact O-N 3.45Å; N106-V110 WeakPolarHBondContact O-CG2 3.46Å; N106-V110 PolarHBondContact O-N 3.19Å
107	A	89.5	Confident	79.5	Confident	43 Å²	43	93 Å²	93	36%	0.355	49%	0.487	S	S	.	.	H	α-helix	trans	-64.6	-35.4	177.3	0	0	0	0	0	112.5	D105 V110 Y111	D105-A107 PolarHBondContact O-N 3.09Å; D105-A107 VanDerWaalsContact O-N 3.16Å; D105-A107 VanDerWaalsContact OD2-CB 3.24Å; D105-A107 WeakPolarHBondContact OD2-CB 3.39Å; D105-A107 PolarHBondContact OD2-N 3.13Å; A107-V110 PolarHBondContact O-N 3.39Å; A107-Y111 WeakPolarHBondContact O-CD2 3.42Å; A107-Y111 PolarHBondContact O-N 3.46Å
108	T	93.9	Very high	82.1	Confident	15 Å²	15	91.3 Å²	91.3	9%	0.092	47%	0.465	C	S	.	.	H	α-helix	trans	-66.1	-42.9	177.5	-58.7	0	0	0	0	110.9	V104 D105 N106 V110 Y111 R112 L203	V104-T108 HydrophobicContact CG1-CG2 3.65Å; D105-T108 WeakPolarHBondContact O-CB 3.5Å; D105-T108 PolarHBondContact O-N 2.73Å; N106-T108 VanDerWaalsContact C-N 3.31Å; N106-T108 PolarHBondContact O-N 3.1Å; T108-V110 VanDerWaalsContact C-N 3.33Å; T108-V110 PolarHBondContact O-N 2.71Å; T108-Y111 PolarHBondContact O-N 3.21Å; T108-R112 WeakPolarHBondContact O-CG 3.33Å; T108-R112 PolarHBondContact O-N 2.86Å; T108-L203 WeakPolarHBondContact CG2-O 3.48Å
109	L	93.4	Very high	84.9	Confident	89 Å²	89	82.7 Å²	82.7	47%	0.466	43%	0.429	S	S	.	.	H	α-helix	trans	-62.7	-41	175.9	-66	177.3	0	0	0	111.8	V104 D105 N106 R112 G113	V104-L109 HydrophobicContact CB-CD2 4.25Å; V104-L109 HydrophobicContact CB-CG 4.37Å; V104-L109 HydrophobicContact CG1-CD2 3.79Å; V104-L109 HydrophobicContact CG1-CG 3.88Å; D105-L109 PolarHBondContact O-N 3.11Å; N106-L109 PolarHBondContact O-N 3.45Å; L109-R112 PolarHBondContact O-N 2.96Å; L109-G113 PolarHBondContact O-N 2.85Å; L109-G113 VanDerWaalsContact O-N 3.08Å
110	V	95.4	Very high	87.2	Confident	71 Å²	71	82.2 Å²	82.2	43%	0.43	42%	0.423	S	S	.	.	H	α-helix	trans	-60.7	-47.6	174.9	170.5	0	0	0	0	111	N106 A107 T108 R112 G113 I114	N106-V110 WeakPolarHBondContact O-CG2 3.46Å; N106-V110 PolarHBondContact O-N 3.19Å; A107-V110 PolarHBondContact O-N 3.39Å; T108-V110 VanDerWaalsContact C-N 3.33Å; T108-V110 PolarHBondContact O-N 2.71Å; V110-R112 VanDerWaalsContact C-N 3.35Å; V110-R112 PolarHBondContact O-N 2.81Å; V110-G113 PolarHBondContact O-N 3.24Å; V110-I114 HydrophobicContact CG1-CD1 3.72Å; V110-I114 HydrophobicContact CG1-CG1 4.38Å; V110-I114 WeakPolarHBondContact O-CG1 3.41Å; V110-I114 PolarHBondContact O-N 3.43Å
111	Y	96.8	Very high	89.5	Confident	68 Å²	68	78.5 Å²	78.5	27%	0.267	40%	0.403	S	S	.	.	H	α-helix	trans	-64.2	-37.6	178.4	-66.1	-33.2	0	0	0	113	A107 T108 G113 I114 V115 W176 Q202	A107-Y111 WeakPolarHBondContact O-CD2 3.42Å; A107-Y111 PolarHBondContact O-N 3.46Å; T108-Y111 PolarHBondContact O-N 3.21Å; Y111-G113 VanDerWaalsContact C-N 3.32Å; Y111-G113 PolarHBondContact O-N 3.14Å; Y111-I114 HydrophobicContact CD1-CD1 4.27Å; Y111-I114 PolarHBondContact O-N 2.84Å; Y111-V115 WeakPolarHBondContact O-CB 3.33Å; Y111-V115 VanDerWaalsContact O-CG2 3.3Å; Y111-V115 WeakPolarHBondContact O-CG2 3.4Å; Y111-V115 PolarHBondContact O-N 3.05Å; Y111-W176 HydrophobicContact CD1-CB 4.49Å; Y111-W176 AromaticContact CD1-CD1 3.89Å; Y111-W176 HydrophobicContact CD1-CG 4.14Å; Y111-W176 AromaticContact CE1-CD1 3.42Å; Y111-W176 VanDerWaalsContact CE1-CD1 3.42Å; Y111-W176 HydrophobicContact CE1-CG 4.1Å; Y111-W176 AromaticContact CE1-NE1 3.84Å; Y111-W176 AromaticContact CZ-CD1 3.96Å; Y111-Q202 HydrophobicContact CD2-CG 4.47Å
112	R	97.2	Very high	91.5	Very high	60 Å²	60	70.1 Å²	70.1	23%	0.226	37%	0.367	C	S	.	.	H	α-helix	trans	-58.3	-45.5	172.8	-71.7	175	-176.9	-174.6	-0.4	111.2	T108 L109 V110 F116 L203 E207	T108-R112 WeakPolarHBondContact O-CG 3.33Å; T108-R112 PolarHBondContact O-N 2.86Å; L109-R112 PolarHBondContact O-N 2.96Å; V110-R112 VanDerWaalsContact C-N 3.35Å; V110-R112 PolarHBondContact O-N 2.81Å; R112-F116 WeakPolarHBondContact O-CB 3.43Å; R112-F116 PolarHBondContact O-N 3.12Å; R112-L203 HydrophobicContact CG-CB 4.32Å; R112-L203 HydrophobicContact CG-CD2 4.17Å; R112-L203 VanDerWaalsContact CZ-O 3.22Å; R112-L203 PolarHBondContact NE-O 3.13Å; R112-L203 PolarHBondContact NH2-O 2.97Å; R112-E207 IonicContact CZ-OE1 2.79Å; R112-E207 IonicContact NH1-OE1 3.21Å; R112-E207 IonicContact NH2-OE1 2.92Å; R112-E207 PolarHBondContact NH2-OE1 3.48Å
113	G	97.5	Very high	93.3	Very high	41 Å²	41	71.5 Å²	71.5	42%	0.423	37%	0.374	S	S	.	.	H	α-helix	trans	-63	-45.4	176.7	0	0	0	0	0	113.1	L109 V110 Y111 F116 Q117	L109-G113 PolarHBondContact O-N 2.85Å; L109-G113 VanDerWaalsContact O-N 3.08Å; V110-G113 PolarHBondContact O-N 3.24Å; Y111-G113 VanDerWaalsContact C-N 3.32Å; Y111-G113 PolarHBondContact O-N 3.14Å; G113-F116 PolarHBondContact O-N 3.28Å; G113-Q117 WeakPolarHBondContact O-CB 3.34Å; G113-Q117 PolarHBondContact O-N 3Å
114	I	96.4	Very high	94.6	Very high	52 Å²	52	64 Å²	64	27%	0.267	34%	0.34	S	S	.	.	H	α-helix	trans	-60.5	-48.8	177.1	-70	169.3	0	0	0	110.9	V110 Y111 F116 Q117 L118 W176	V110-I114 HydrophobicContact CG1-CD1 3.72Å; V110-I114 HydrophobicContact CG1-CG1 4.38Å; V110-I114 WeakPolarHBondContact O-CG1 3.41Å; V110-I114 PolarHBondContact O-N 3.43Å; Y111-I114 HydrophobicContact CD1-CD1 4.27Å; Y111-I114 PolarHBondContact O-N 2.84Å; I114-F116 PolarHBondContact O-N 3.49Å; I114-Q117 PolarHBondContact O-N 2.98Å; I114-L118 HydrophobicContact CG2-CD1 3.58Å; I114-L118 HydrophobicContact CG2-CG 4.23Å; I114-L118 WeakPolarHBondContact O-CB 3.37Å; I114-L118 VanDerWaalsContact O-CG 3.29Å; I114-L118 WeakPolarHBondContact O-CG 3.35Å; I114-L118 PolarHBondContact O-N 2.66Å; I114-W176 HydrophobicContact CG2-CE3 4.05Å; I114-W176 HydrophobicContact CG2-CH2 3.64Å; I114-W176 HydrophobicContact CG2-CZ2 4.16Å; I114-W176 HydrophobicContact CG2-CZ3 3.58Å
115	V	97.9	Very high	95.7	Very high	6 Å²	6	65.4 Å²	65.4	4%	0.036	34%	0.34	C	S	.	.	H	α-helix	trans	-61.4	-45.4	-179.5	162	0	0	0	0	111.2	Y111 N119 F196 P198 L203	Y111-V115 WeakPolarHBondContact O-CB 3.33Å; Y111-V115 VanDerWaalsContact O-CG2 3.3Å; Y111-V115 WeakPolarHBondContact O-CG2 3.4Å; Y111-V115 PolarHBondContact O-N 3.05Å; V115-N119 WeakPolarHBondContact O-CB 3.41Å; V115-N119 PolarHBondContact O-N 2.83Å; V115-N119 PolarHBondContact O-ND2 2.79Å; V115-F196 HydrophobicContact CB-CB 4.18Å; V115-F196 HydrophobicContact CG1-CB 3.72Å; V115-F196 HydrophobicContact CG2-CB 3.76Å; V115-F196 HydrophobicContact CG2-CD1 4.38Å; V115-F196 HydrophobicContact CG2-CG 4.14Å; V115-P198 HydrophobicContact CG1-CB 4.06Å; V115-L203 HydrophobicContact CB-CD1 4.32Å; V115-L203 HydrophobicContact CG1-CD1 4.09Å; V115-L203 HydrophobicContact CG2-CD1 4.14Å; V115-L203 HydrophobicContact CG2-CD2 4.31Å
116	F	97.8	Very high	96.3	Very high	142 Å²	142	62.6 Å²	62.6	62%	0.623	33%	0.325	S	S	*	.	H	α-helix	trans	-58.1	-51.7	175.8	179.7	-92.8	0	0	0	111.3	R112 G113 I114 L118 N119 F120	R112-F116 WeakPolarHBondContact O-CB 3.43Å; R112-F116 PolarHBondContact O-N 3.12Å; G113-F116 PolarHBondContact O-N 3.28Å; I114-F116 PolarHBondContact O-N 3.49Å; F116-L118 PolarHBondContact O-N 2.86Å; F116-N119 PolarHBondContact O-N 2.9Å; F116-F120 WeakPolarHBondContact O-CB 3.29Å; F116-F120 PolarHBondContact O-N 3.29Å
117	Q	98.2	Very high	96.7	Very high	90 Å²	90	61.4 Å²	61.4	42%	0.421	32%	0.316	S	S	.	.	H	α-helix	trans	-63.1	-45.1	-176.9	-170.2	62.1	46.8	0	0	112	G113 I114 F120 D121	G113-Q117 WeakPolarHBondContact O-CB 3.34Å; G113-Q117 PolarHBondContact O-N 3Å; I114-Q117 PolarHBondContact O-N 2.98Å; Q117-F120 PolarHBondContact O-N 2.79Å; Q117-D121 WeakPolarHBondContact CG-OD2 3.32Å; Q117-D121 PolarHBondContact NE2-OD1 3.15Å; Q117-D121 PolarHBondContact NE2-OD2 2.71Å; Q117-D121 WeakPolarHBondContact O-CB 3.24Å; Q117-D121 VanDerWaalsContact O-CG 3.28Å; Q117-D121 PolarHBondContact O-N 3.26Å
118	L	98.1	Very high	96.8	Very high	57 Å²	57	66.1 Å²	66.1	30%	0.298	33%	0.33	S	S	.	.	H	α-helix	trans	-67.6	-39.3	-179	-68.9	174.9	0	0	0	112.7	I114 F116 F120 Q122 W176 F196	I114-L118 HydrophobicContact CG2-CD1 3.58Å; I114-L118 HydrophobicContact CG2-CG 4.23Å; I114-L118 WeakPolarHBondContact O-CB 3.37Å; I114-L118 VanDerWaalsContact O-CG 3.29Å; I114-L118 WeakPolarHBondContact O-CG 3.35Å; I114-L118 PolarHBondContact O-N 2.66Å; F116-L118 PolarHBondContact O-N 2.86Å; L118-F120 VanDerWaalsContact C-N 3.28Å; L118-F120 PolarHBondContact O-N 2.91Å; L118-Q122 PolarHBondContact O-N 2.53Å; L118-W176 HydrophobicContact CD1-CH2 3.8Å; L118-W176 HydrophobicContact CD1-CZ3 3.44Å; L118-W176 VanDerWaalsContact CD1-CZ3 3.44Å; L118-F196 HydrophobicContact CB-CD2 4.05Å; L118-F196 HydrophobicContact CB-CE2 3.99Å; L118-F196 HydrophobicContact CD1-CD2 4.17Å; L118-F196 HydrophobicContact CD1-CE2 3.54Å; L118-F196 HydrophobicContact CD1-CZ 4.01Å; L118-F196 HydrophobicContact CG-CE2 4.41Å
119	N	98.4	Very high	96.8	Very high	15 Å²	15	71.5 Å²	71.5	8%	0.08	35%	0.352	C	S	.	.	H	α-helix	trans	-66.6	-31.7	173.6	-77.5	-15.7	0	0	0	112.4	V115 F116 Q122 I195 F196 F260	V115-N119 WeakPolarHBondContact O-CB 3.41Å; V115-N119 PolarHBondContact O-N 2.83Å; V115-N119 PolarHBondContact O-ND2 2.79Å; F116-N119 PolarHBondContact O-N 2.9Å; N119-Q122 WeakPolarHBondContact O-CG 2.94Å; N119-Q122 PolarHBondContact O-NE2 3.48Å; N119-I195 WeakPolarHBondContact OD1-CA 3.39Å; N119-F196 PolarHBondContact ND2-O 3.27Å; N119-F196 PolarHBondContact OD1-N 3.24Å; N119-F260 HydrophobicContact CB-CZ 4.03Å
120	F	98.1	Very high	96.6	Very high	122 Å²	122	69.1 Å²	69.1	54%	0.535	34%	0.337	S	S	.	.	H	α-helix	trans	-74	-45.7	175.4	-177.7	-93.7	0	0	0	111.7	F116 Q117 L118 R266	F116-F120 WeakPolarHBondContact O-CB 3.29Å; F116-F120 PolarHBondContact O-N 3.29Å; Q117-F120 PolarHBondContact O-N 2.79Å; L118-F120 VanDerWaalsContact C-N 3.28Å; L118-F120 PolarHBondContact O-N 2.91Å; F120-R266 PolarHBondContact O-NH1 3.39Å; F120-R266 PolarHBondContact O-NH2 3.35Å
121	D	98.4	Very high	96.2	Very high	64 Å²	64	72.4 Å²	72.4	34%	0.342	35%	0.346	S	S	.	.	H	α-helix	trans	-73.1	-36	-175.6	-71.3	-19.3	0	0	0	112.6	Q117 T123 R266	Q117-D121 WeakPolarHBondContact CG-OD2 3.32Å; Q117-D121 PolarHBondContact NE2-OD1 3.15Å; Q117-D121 PolarHBondContact NE2-OD2 2.71Å; Q117-D121 WeakPolarHBondContact O-CB 3.24Å; Q117-D121 VanDerWaalsContact O-CG 3.28Å; Q117-D121 PolarHBondContact O-N 3.26Å; D121-T123 PolarHBondContact O-N 3.47Å; D121-R266 PolarHBondContact O-NH2 3Å
122	Q	98.3	Very high	95.3	Very high	19 Å²	19	73.5 Å²	73.5	9%	0.089	36%	0.36	C	S	.	.			trans	49	41.9	179.6	-54	-177.2	4.9	0	0	113.2	L118 N119 I124 L193 R264	L118-Q122 PolarHBondContact O-N 2.53Å; N119-Q122 WeakPolarHBondContact O-CG 2.94Å; N119-Q122 PolarHBondContact O-NE2 3.48Å; Q122-I124 PolarHBondContact O-N 3.43Å; Q122-I124 VanDerWaalsContact O-N 3.12Å; Q122-L193 HydrophobicContact CB-CD1 3.99Å; Q122-R264 PolarHBondContact NE2-O 3.03Å
123	T	98.1	Very high	94.9	Very high	93 Å²	93	72.6 Å²	72.6	57%	0.571	36%	0.357	S	S	*	.			trans	-60.5	115.3	-177.3	-54.9	0	0	0	0	111	D121	D121-T123 PolarHBondContact O-N 3.47Å
124	I	98.1	Very high	94.7	Very high	28 Å²	28	76.6 Å²	76.6	14%	0.144	36%	0.364	C	S	.	.			trans	-85.5	116.4	175.6	-59.7	-179.2	0	0	0	108.9	Q122 E127 L168 Q191 V192 A267	Q122-I124 PolarHBondContact O-N 3.43Å; Q122-I124 VanDerWaalsContact O-N 3.12Å; I124-E127 HydrophobicContact CG2-CB 4.14Å; I124-L168 HydrophobicContact CD1-CD1 4.5Å; I124-L168 HydrophobicContact CG2-CD1 4.25Å; I124-Q191 HydrophobicContact CG2-CB 3.93Å; I124-Q191 HydrophobicContact CG2-CG 4.43Å; I124-V192 CarbonylContact C-O 3.58Å; I124-V192 WeakPolarHBondContact CA-O 3.42Å; I124-A267 HydrophobicContact CD1-CB 3.55Å
125	R	97.9	Very high	94.5	Very high	77 Å²	77	79.8 Å²	79.8	29%	0.291	38%	0.376	S	S	.	.	B	Isolated β-bridge	trans	-80.5	149.9	175.6	-65.7	174.9	59.2	-133.8	-7.1	110.4	E127 V184 A185 Q191 V192	R125-E127 PolarHBondContact O-N 3.3Å; R125-V184 PolarHBondContact NH1-O 2.77Å; R125-A185 VanDerWaalsContact NH1-CA 3.33Å; R125-A185 PolarHBondContact NH2-O 3.11Å; R125-Q191 WeakPolarHBondContact O-CA 3.49Å; R125-V192 HydrophobicContact CB-CB 4.32Å; R125-V192 PolarHBondContact N-O 3.27Å; R125-V192 PolarHBondContact O-N 2.91Å
126	N	96.9	Very high	94.4	Very high	43 Å²	43	82.6 Å²	82.6	23%	0.23	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	14.5	179.3	-44.3	-42.2	0	0	0	115.3	E128 K129 Y130 V187 C190	N126-E128 PolarHBondContact O-N 3.13Å; N126-K129 PolarHBondContact O-N 3.41Å; N126-K129 VanDerWaalsContact O-N 3.14Å; N126-Y130 HydrophobicContact CB-CD2 3.66Å; N126-Y130 HydrophobicContact CB-CE2 4.04Å; N126-Y130 PolarHBondContact O-N 3.16Å; N126-V187 PolarHBondContact ND2-O 3Å; N126-C190 WeakPolarHBondContact CB-O 3.25Å; N126-C190 PolarHBondContact ND2-O 3.33Å
127	E	93.9	Very high	94.4	Very high	95 Å²	95	77.4 Å²	77.4	44%	0.444	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-48.2	-179.6	-175.5	166.1	-151	0	0	112.1	I124 R125 K129 Y130	I124-E127 HydrophobicContact CG2-CB 4.14Å; R125-E127 PolarHBondContact O-N 3.3Å; E127-K129 VanDerWaalsContact C-N 3.28Å; E127-K129 PolarHBondContact O-N 3.4Å; E127-Y130 CarbonylContact O-C 3.5Å; E127-Y130 PolarHBondContact O-N 3.45Å
128	E	92.5	Very high	94.4	Very high	142 Å²	142	74.1 Å²	74.1	66%	0.664	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-28.6	179	-67.5	-58.4	124	0	0	114	N126 K131	N126-E128 PolarHBondContact O-N 3.13Å; E128-K131 WeakPolarHBondContact O-CE 3.34Å; E128-K131 WeakPolarHBondContact OE2-CE 3.34Å; E128-K131 IonicContact OE2-NZ 3.27Å; E128-K131 PolarHBondContact OE2-NZ 3.43Å
129	K	92.9	Very high	94.4	Very high	127 Å²	127	71.4 Å²	71.4	55%	0.552	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-32.2	179.3	-172	179.6	176.3	-162.5	0	111.6	N126 E127 D188	N126-K129 PolarHBondContact O-N 3.41Å; N126-K129 VanDerWaalsContact O-N 3.14Å; E127-K129 VanDerWaalsContact C-N 3.28Å; E127-K129 PolarHBondContact O-N 3.4Å; K129-D188 PolarHBondContact NZ-O 2.81Å
130	Y	90.7	Very high	94.4	Very high	39 Å²	39	70.7 Å²	70.7	15%	0.153	34%	0.337	C	S	.	.			trans	-120.2	65.4	-175.4	-63.5	-69.9	0	0	0	111.3	N126 E127 T132 E165 D188 F189 Q191	N126-Y130 HydrophobicContact CB-CD2 3.66Å; N126-Y130 HydrophobicContact CB-CE2 4.04Å; N126-Y130 PolarHBondContact O-N 3.16Å; E127-Y130 CarbonylContact O-C 3.5Å; E127-Y130 PolarHBondContact O-N 3.45Å; Y130-T132 PolarHBondContact O-N 3.27Å; Y130-E165 HydrophobicContact CD1-CB 3.89Å; Y130-E165 HydrophobicContact CE1-CB 4.02Å; Y130-D188 WeakPolarHBondContact CE2-O 3.24Å; Y130-D188 PolarHBondContact OH-O 3.05Å; Y130-F189 VanDerWaalsContact CZ-C 3.44Å; Y130-F189 WeakPolarHBondContact OH-CA 3.47Å; Y130-Q191 PolarHBondContact O-NE2 3.27Å
131	K	85.4	Confident	94.5	Very high	141 Å²	141	64.9 Å²	64.9	61%	0.613	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-3.5	179.4	-61.7	-173.8	179.3	-170.8	0	114.5	E128 R133	E128-K131 WeakPolarHBondContact O-CE 3.34Å; E128-K131 WeakPolarHBondContact OE2-CE 3.34Å; E128-K131 IonicContact OE2-NZ 3.27Å; E128-K131 PolarHBondContact OE2-NZ 3.43Å; K131-R133 VanDerWaalsContact C-N 3.26Å; K131-R133 PolarHBondContact O-N 3.19Å
132	T	79.3	Confident	94.5	Very high	91 Å²	91	61.8 Å²	61.8	56%	0.558	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-13.3	-173.6	49.5	0	0	0	0	113.6	Y130 Q134	Y130-T132 PolarHBondContact O-N 3.27Å; T132-Q134 PolarHBondContact O-N 3.34Å; T132-Q134 PolarHBondContact O-NE2 2.03Å; T132-Q134 VanDerWaalsContact O-NE2 3.12Å
133	R	88.8	Confident	94.5	Very high	41 Å²	41	61.6 Å²	61.6	16%	0.155	29%	0.294	C	S	.	.			trans	-61.3	126.2	-179.9	178.7	177.1	172.1	-88.1	-6.7	111.4	K131 K135 D137 S166 Q191	K131-R133 VanDerWaalsContact C-N 3.26Å; K131-R133 PolarHBondContact O-N 3.19Å; R133-K135 PolarHBondContact NH2-O 3.08Å; R133-D137 HydrophobicContact CG-CB 4.17Å; R133-S166 WeakPolarHBondContact CG-O 3.38Å; R133-Q191 VanDerWaalsContact CD-OE1 3.31Å
134	Q	92.3	Very high	94.6	Very high	125 Å²	125	57.2 Å²	57.2	58%	0.584	27%	0.267	S	S	*	.			trans	-88	157.2	170.5	-54.9	-57.2	-50.5	0	0	111.1	T132 D136 D137	T132-Q134 PolarHBondContact O-N 3.34Å; T132-Q134 PolarHBondContact O-NE2 2.03Å; T132-Q134 VanDerWaalsContact O-NE2 3.12Å; Q134-D136 PolarHBondContact O-N 2.86Å; Q134-D136 VanDerWaalsContact O-N 3.11Å; Q134-D137 WeakPolarHBondContact CB-OD2 3.36Å; Q134-D137 PolarHBondContact N-OD2 3.41Å; Q134-D137 WeakPolarHBondContact O-CB 3.46Å; Q134-D137 PolarHBondContact O-N 2.83Å; Q134-D137 VanDerWaalsContact O-N 3.13Å
135	K	91.6	Very high	94.5	Very high	118 Å²	118	60 Å²	60	51%	0.513	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-41.3	-177.3	-178	179.6	176.6	178.4	0	113.7	R133 H271	R133-K135 PolarHBondContact NH2-O 3.08Å; K135-H271 PolarHBondContact O-ND1 2.89Å
136	D	96.6	Very high	94.4	Very high	66 Å²	66	59.1 Å²	59.1	35%	0.353	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	15.5	-173.5	-62.1	-39.4	0	0	0	113.8	Q134 H271 Q272 G273	Q134-D136 PolarHBondContact O-N 2.86Å; Q134-D136 VanDerWaalsContact O-N 3.11Å; D136-H271 IonicContact OD1-ND1 3.48Å; D136-Q272 PolarHBondContact OD1-N 3.37Å; D136-G273 VanDerWaalsContact O-CA 3.3Å; D136-G273 WeakPolarHBondContact O-CA 3.38Å
137	D	97.1	Very high	94.3	Very high	32 Å²	32	59.7 Å²	59.7	17%	0.171	28%	0.279	C	S	.	.	S	Bend	trans	-64.3	154.5	170.3	-81.6	-21	0	0	0	111.4	R133 Q134 V139 S166 H271	R133-D137 HydrophobicContact CG-CB 4.17Å; Q134-D137 WeakPolarHBondContact CB-OD2 3.36Å; Q134-D137 PolarHBondContact N-OD2 3.41Å; Q134-D137 WeakPolarHBondContact O-CB 3.46Å; Q134-D137 PolarHBondContact O-N 2.83Å; Q134-D137 VanDerWaalsContact O-N 3.13Å; D137-V139 PolarHBondContact O-N 2.97Å; D137-S166 WeakPolarHBondContact CB-O 3.33Å; D137-H271 PolarHBondContact O-CE1 2.96Å
138	L	98.6	Very high	94.4	Very high	21 Å²	21	55.9 Å²	55.9	11%	0.11	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-51.4	131.1	-175.9	179.8	64.2	0	0	0	111.8	V140 I167 L168 L274 L276 F288 I289 L292	L138-V140 HydrophobicContact CD2-CG2 4.05Å; L138-V140 HydrophobicContact CG-CG2 4.07Å; L138-I167 HydrophobicContact CB-CG2 4.25Å; L138-I167 HydrophobicContact CD2-CG2 4.34Å; L138-I167 WeakPolarHBondContact O-CA 3.23Å; L138-I167 WeakPolarHBondContact O-CB 3.06Å; L138-L168 PolarHBondContact O-N 3.11Å; L138-L274 HydrophobicContact CD1-CB 4.09Å; L138-L274 WeakPolarHBondContact CD1-O 3.22Å; L138-L276 HydrophobicContact CD1-CB 4.03Å; L138-F288 HydrophobicContact CD2-CE2 4.05Å; L138-I289 HydrophobicContact CD2-CG1 4.21Å; L138-L292 HydrophobicContact CD1-CD2 3.53Å; L138-L292 HydrophobicContact CD2-CD2 3.96Å; L138-L292 HydrophobicContact CG-CD2 4.41Å
139	V	98.9	Very high	94.5	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	133.4	167.1	-178.2	0	0	0	0	108	D137 V141 L168 I170 L268 L274 V275 L276	D137-V139 PolarHBondContact O-N 2.97Å; V139-V141 HydrophobicContact CG1-CG2 4.13Å; V139-L168 WeakPolarHBondContact CA-O 3.47Å; V139-L168 HydrophobicContact CG2-CB 4.49Å; V139-I170 HydrophobicContact CG1-CD1 3.77Å; V139-I170 HydrophobicContact CG1-CG1 4.12Å; V139-L268 HydrophobicContact CG1-CD1 3.99Å; V139-L268 HydrophobicContact CG2-CD1 4.13Å; V139-L268 HydrophobicContact CG2-CD2 3.48Å; V139-L268 VanDerWaalsContact CG2-CD2 3.48Å; V139-L268 HydrophobicContact CG2-CG 4.47Å; V139-L274 PolarHBondContact N-O 2.85Å; V139-L274 VanDerWaalsContact N-O 3.11Å; V139-V275 HydrophobicContact CB-CG2 4.1Å; V139-V275 CarbonylContact O-C 3.57Å; V139-V275 WeakPolarHBondContact O-CA 3.42Å; V139-L276 PolarHBondContact O-N 3.5Å
140	V	98.9	Very high	94.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	124.2	174.4	-178.2	0	0	0	0	108.2	L138 I167 L168 L169 I170 L276 I278 F288	L138-V140 HydrophobicContact CD2-CG2 4.05Å; L138-V140 HydrophobicContact CG-CG2 4.07Å; V140-I167 HydrophobicContact CB-CD1 4.17Å; V140-I167 HydrophobicContact CG2-CD1 3.75Å; V140-L168 PolarHBondContact N-O 3.12Å; V140-L169 HydrophobicContact CB-CD1 3.87Å; V140-L169 HydrophobicContact CG1-CD1 3.84Å; V140-I170 PolarHBondContact O-N 3.35Å; V140-L276 CarbonylContact C-O 3.56Å; V140-L276 WeakPolarHBondContact CA-O 3.32Å; V140-L276 HydrophobicContact CG1-CD2 4.37Å; V140-L276 HydrophobicContact CG2-CB 4.36Å; V140-L276 HydrophobicContact CG2-CD2 4.14Å; V140-I278 HydrophobicContact CG1-CD1 3.49Å; V140-I278 VanDerWaalsContact CG1-CD1 3.49Å; V140-I278 HydrophobicContact CG1-CG1 3.91Å; V140-F288 HydrophobicContact CG2-CE2 4.47Å
141	V	98.9	Very high	95	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	120.5	179.8	-174.7	0	0	0	0	108.9	V139 I170 K257 V261 V275 L276 L277 I278	V139-V141 HydrophobicContact CG1-CG2 4.13Å; V141-I170 CarbonylContact C-O 3.55Å; V141-I170 WeakPolarHBondContact CA-O 3.35Å; V141-I170 HydrophobicContact CG2-CB 4.26Å; V141-I170 HydrophobicContact CG2-CD1 4.4Å; V141-K257 HydrophobicContact CG1-CD 4.31Å; V141-V261 HydrophobicContact CG1-CG2 4.06Å; V141-V261 HydrophobicContact CG2-CB 4.44Å; V141-V261 HydrophobicContact CG2-CG1 3.86Å; V141-V261 HydrophobicContact CG2-CG2 3.89Å; V141-V275 HydrophobicContact CG2-CG1 3.56Å; V141-L276 PolarHBondContact N-O 3.21Å; V141-L277 HydrophobicContact CB-CD2 4.02Å; V141-L277 HydrophobicContact CG2-CD2 4.41Å; V141-I278 PolarHBondContact O-N 2.98Å
142	V	98.9	Very high	95.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	122.4	178.2	-167.3	0	0	0	0	109	V144 L154 L169 I170 F171 S172 I278	V142-V144 HydrophobicContact CB-CG2 4.14Å; V142-V144 HydrophobicContact CG1-CG2 3.74Å; V142-L154 HydrophobicContact CB-CD2 4.42Å; V142-L154 HydrophobicContact CG1-CD2 3.49Å; V142-L154 VanDerWaalsContact CG1-CD2 3.49Å; V142-L154 HydrophobicContact CG2-CD2 4.02Å; V142-L169 HydrophobicContact CG2-CD1 3.87Å; V142-I170 PolarHBondContact N-O 2.76Å; V142-F171 HydrophobicContact CB-CD1 3.82Å; V142-F171 HydrophobicContact CB-CE1 4.26Å; V142-F171 HydrophobicContact CG1-CD1 4.25Å; V142-F171 HydrophobicContact CG2-CD1 3.9Å; V142-F171 HydrophobicContact CG2-CE1 3.9Å; V142-S172 WeakPolarHBondContact O-CB 3.42Å; V142-S172 PolarHBondContact O-N 3.11Å; V142-I278 CarbonylContact C-O 3.55Å; V142-I278 WeakPolarHBondContact CA-O 3.27Å; V142-I278 HydrophobicContact CB-CG1 4.38Å; V142-I278 HydrophobicContact CG1-CG1 4.49Å; V142-I278 HydrophobicContact CG2-CD1 3.98Å; V142-I278 HydrophobicContact CG2-CG1 3.91Å
143	Q	98.8	Very high	96.4	Very high	15 Å²	15	38.7 Å²	38.7	7%	0.07	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	119.1	164.1	-170.6	163	-40	0	0	109.3	T250 K257 I278 E280	Q143-T250 PolarHBondContact NE2-O 3.43Å; Q143-K257 HydrophobicContact CB-CD 4.13Å; Q143-K257 HydrophobicContact CG-CD 4.32Å; Q143-I278 PolarHBondContact N-O 3.47Å; Q143-E280 PolarHBondContact O-N 3.2Å
144	V	98.6	Very high	96.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130.7	-175.6	-175.9	0	0	0	0	109.4	V142 L151 F171 S172 H173 D174 I180 E280	V142-V144 HydrophobicContact CB-CG2 4.14Å; V142-V144 HydrophobicContact CG1-CG2 3.74Å; V144-L151 HydrophobicContact CG1-CD2 4.1Å; V144-L151 HydrophobicContact CG2-CD1 4.19Å; V144-F171 HydrophobicContact CG2-CB 4.27Å; V144-F171 HydrophobicContact CG2-CD1 3.86Å; V144-S172 PolarHBondContact N-O 3.41Å; V144-H173 WeakPolarHBondContact O-CA 3.13Å; V144-D174 PolarHBondContact O-N 3.18Å; V144-I180 HydrophobicContact CG1-CD1 4.23Å; V144-I180 HydrophobicContact CG1-CG2 3.8Å; V144-E280 WeakPolarHBondContact CG1-OE2 3.05Å; V144-E280 HydrophobicContact CG2-CB 4.5Å
145	H	97.1	Very high	97.2	Very high	86 Å²	86	30.9 Å²	30.9	40%	0.398	15%	0.149	S	C	.	.			trans	-107.9	-97.3	172.9	-176.5	56.1	0	0	0	109.2	D174 Y175 E280	H145-D174 WeakPolarHBondContact CA-OD1 3.21Å; H145-D174 IonicContact CE1-OD1 3.86Å; H145-D174 IonicContact CG-OD1 3.56Å; H145-D174 IonicContact ND1-OD1 2.74Å; H145-D174 PolarHBondContact ND1-OD1 3.32Å; H145-D174 IonicContact ND1-OD2 2.75Å; H145-Y175 WeakPolarHBondContact O-CB 3.47Å; H145-E280 PolarHBondContact N-OE2 3.24Å
146	N	96.1	Very high	97.5	Very high	60 Å²	60	28 Å²	28	32%	0.321	14%	0.139	S	C	.	.	S	Bend	trans	-153.5	44.8	-177.6	-165.8	31.6	0	0	0	112	P148 Y175	N146-P148 VanDerWaalsContact C-CD 3.49Å; N146-P148 VanDerWaalsContact O-CD 3.3Å; N146-P148 WeakPolarHBondContact O-CD 3.4Å; N146-Y175 HydrophobicContact CB-CD1 3.98Å; N146-Y175 HydrophobicContact CB-CG 4.23Å
147	R	94.5	Very high	97.6	Very high	54 Å²	54	24.9 Å²	24.9	20%	0.204	12%	0.123	C	C	.	.			trans	-115.3	76.7	174.5	-61.2	-179.8	-68	165.5	0.4	111.5	D149 Y150 L151 E280 D281 C397	R147-D149 VanDerWaalsContact C-N 3.26Å; R147-D149 PolarHBondContact O-N 2.96Å; R147-Y150 HydrophobicContact CB-CD2 3.87Å; R147-Y150 HydrophobicContact CG-CD2 4.42Å; R147-Y150 PolarHBondContact O-N 2.9Å; R147-L151 PolarHBondContact O-N 3.43Å; R147-L151 VanDerWaalsContact O-N 3.08Å; R147-E280 WeakPolarHBondContact CB-OE1 3.39Å; R147-E280 WeakPolarHBondContact CG-OE1 3.43Å; R147-E280 IonicContact CZ-OE1 2.83Å; R147-E280 PolarHBondContact N-OE2 2.04Å; R147-E280 IonicContact NE-OE1 2.92Å; R147-E280 PolarHBondContact NE-OE1 3.32Å; R147-E280 IonicContact NH2-OE1 3.74Å; R147-E280 PolarHBondContact NH2-OE1 3.14Å; R147-D281 IonicContact CZ-OD2 3.64Å; R147-D281 IonicContact NH1-OD2 2.85Å; R147-D281 PolarHBondContact NH1-OD2 3.1Å; R147-D281 IonicContact NH2-OD1 2.93Å; R147-D281 PolarHBondContact NH2-OD1 2.84Å; R147-D281 IonicContact NH2-OD2 2.78Å; R147-D281 PolarHBondContact NH2-OD2 3.36Å; R147-C397 PolarHBondContact NH1-O 3.37Å; R147-C397 VanDerWaalsContact NH1-O 3.17Å
148	P	95.5	Very high	97.7	Very high	16 Å²	16	23.3 Å²	23.3	10%	0.104	11%	0.114	C	C	.	.	H	α-helix	trans	-60.9	-32	-171.7	23.1	-33.1	0	0	0	113.5	N146 L151 K152 E179 I180	N146-P148 VanDerWaalsContact C-CD 3.49Å; N146-P148 VanDerWaalsContact O-CD 3.3Å; N146-P148 WeakPolarHBondContact O-CD 3.4Å; P148-L151 PolarHBondContact O-N 3.09Å; P148-K152 VanDerWaalsContact O-CG 3.22Å; P148-K152 WeakPolarHBondContact O-CG 3.2Å; P148-K152 PolarHBondContact O-N 3.01Å; P148-E179 HydrophobicContact CB-CB 4.5Å; P148-E179 HydrophobicContact CB-CG 3.78Å; P148-E179 WeakPolarHBondContact CB-OE1 3.36Å; P148-E179 HydrophobicContact CG-CG 4.07Å; P148-E179 WeakPolarHBondContact CG-OE1 2.95Å; P148-E179 WeakPolarHBondContact CG-OE2 3.49Å; P148-I180 HydrophobicContact CB-CD1 3.8Å; P148-I180 HydrophobicContact CG-CD1 4.48Å
149	D	94.8	Very high	97.7	Very high	88 Å²	88	27.2 Å²	27.2	47%	0.471	13%	0.127	S	C	.	.	H	α-helix	trans	-68.4	-38.9	179.7	-67.6	-28.7	0	0	0	113.2	R147 K152 L153 P408	R147-D149 VanDerWaalsContact C-N 3.26Å; R147-D149 PolarHBondContact O-N 2.96Å; D149-K152 IonicContact OD1-NZ 3.19Å; D149-K152 PolarHBondContact OD1-NZ 2.66Å; D149-L153 WeakPolarHBondContact O-CG 3.37Å; D149-L153 PolarHBondContact O-N 3.19Å; D149-P408 HydrophobicContact CB-CG 4.12Å
150	Y	95.9	Very high	97.6	Very high	5 Å²	5	32.2 Å²	32.2	2%	0.02	15%	0.149	C	C	.	.	H	α-helix	trans	-71.4	-38.6	172.4	-68.6	-63.5	0	0	0	111.6	R147 K152 L153 L154 E280 D281 A394 D396 C397 P408	R147-Y150 HydrophobicContact CB-CD2 3.87Å; R147-Y150 HydrophobicContact CG-CD2 4.42Å; R147-Y150 PolarHBondContact O-N 2.9Å; Y150-K152 VanDerWaalsContact C-N 3.25Å; Y150-K152 PolarHBondContact O-N 3.35Å; Y150-L153 HydrophobicContact CD1-CD1 4.21Å; Y150-L153 WeakPolarHBondContact O-CA 3.05Å; Y150-L153 VanDerWaalsContact O-CB 3.3Å; Y150-L153 WeakPolarHBondContact O-CB 3.16Å; Y150-L153 PolarHBondContact O-N 3.21Å; Y150-L154 PolarHBondContact O-N 2.82Å; Y150-E280 CarbonylContact C-O 3.59Å; Y150-D281 HydrophobicContact CD1-CB 4.22Å; Y150-D281 HydrophobicContact CD2-CB 4.23Å; Y150-D281 HydrophobicContact CG-CB 3.86Å; Y150-A394 HydrophobicContact CD1-CB 4.22Å; Y150-A394 VanDerWaalsContact CE1-O 3.27Å; Y150-A394 WeakPolarHBondContact CE1-O 3.48Å; Y150-D396 PolarHBondContact OH-N 2.7Å; Y150-D396 VanDerWaalsContact OH-N 3.08Å; Y150-D396 PolarHBondContact OH-OD1 2.98Å; Y150-C397 PolarHBondContact OH-N 3.12Å; Y150-C397 PolarHBondContact OH-SG 3.17Å; Y150-P408 HydrophobicContact CD1-CB 3.97Å; Y150-P408 HydrophobicContact CD1-CG 4.22Å; Y150-P408 HydrophobicContact CE1-CB 3.74Å; Y150-P408 HydrophobicContact CE1-CG 3.78Å; Y150-P408 HydrophobicContact CE2-CG 4.44Å
151	L	97.9	Very high	97.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-59.2	-38.4	175.5	-174.5	63.3	0	0	0	111.7	V144 R147 P148 L153 L154 V155 F171 I180 V183 V184 E280	V144-L151 HydrophobicContact CG1-CD2 4.1Å; V144-L151 HydrophobicContact CG2-CD1 4.19Å; R147-L151 PolarHBondContact O-N 3.43Å; R147-L151 VanDerWaalsContact O-N 3.08Å; P148-L151 PolarHBondContact O-N 3.09Å; L151-L153 VanDerWaalsContact C-N 3.32Å; L151-L153 PolarHBondContact O-N 3.49Å; L151-L154 HydrophobicContact CD1-CD2 4.33Å; L151-L154 PolarHBondContact O-N 2.87Å; L151-V155 WeakPolarHBondContact O-CG2 3.44Å; L151-V155 PolarHBondContact O-N 2.77Å; L151-F171 HydrophobicContact CD1-CD1 4.16Å; L151-F171 HydrophobicContact CD1-CE1 3.82Å; L151-I180 HydrophobicContact CD2-CD1 3.78Å; L151-I180 HydrophobicContact CD2-CG2 3.86Å; L151-V183 HydrophobicContact CB-CG1 4.38Å; L151-V183 HydrophobicContact CD2-CB 4.15Å; L151-V183 HydrophobicContact CD2-CG1 3.99Å; L151-V183 HydrophobicContact CG-CG1 3.82Å; L151-V184 HydrophobicContact CD2-CG2 4.29Å; L151-E280 HydrophobicContact CB-CB 4.47Å; L151-E280 HydrophobicContact CD1-CB 4.18Å; L151-E280 PolarHBondContact N-O 2.75Å
152	K	97.6	Very high	97.6	Very high	73 Å²	73	41.2 Å²	41.2	32%	0.317	18%	0.184	S	C	.	.	H	α-helix	trans	-58.8	-43.1	172	-70.5	162.8	-157.5	158.8	0	110.9	P148 D149 Y150 V155 D156 E179 V183	P148-K152 VanDerWaalsContact O-CG 3.22Å; P148-K152 WeakPolarHBondContact O-CG 3.2Å; P148-K152 PolarHBondContact O-N 3.01Å; D149-K152 IonicContact OD1-NZ 3.19Å; D149-K152 PolarHBondContact OD1-NZ 2.66Å; Y150-K152 VanDerWaalsContact C-N 3.25Å; Y150-K152 PolarHBondContact O-N 3.35Å; K152-V155 PolarHBondContact O-N 2.8Å; K152-D156 WeakPolarHBondContact O-CB 3.38Å; K152-D156 PolarHBondContact O-N 2.9Å; K152-E179 IonicContact NZ-OE1 3.73Å; K152-E179 PolarHBondContact NZ-OE1 3.47Å; K152-V183 HydrophobicContact CD-CG2 4.25Å; K152-V183 HydrophobicContact CG-CB 4.49Å; K152-V183 HydrophobicContact CG-CG1 4Å; K152-V183 HydrophobicContact CG-CG2 3.59Å
153	L	97.3	Very high	97.4	Very high	12 Å²	12	41.9 Å²	41.9	6%	0.063	19%	0.191	C	C	.	.	H	α-helix	trans	-63.3	-42.2	176.1	-59.3	-174.7	0	0	0	112.6	D149 Y150 L151 D156 S157 Y283 A394 P408 K412	D149-L153 WeakPolarHBondContact O-CG 3.37Å; D149-L153 PolarHBondContact O-N 3.19Å; Y150-L153 HydrophobicContact CD1-CD1 4.21Å; Y150-L153 WeakPolarHBondContact O-CA 3.05Å; Y150-L153 VanDerWaalsContact O-CB 3.3Å; Y150-L153 WeakPolarHBondContact O-CB 3.16Å; Y150-L153 PolarHBondContact O-N 3.21Å; L151-L153 VanDerWaalsContact C-N 3.32Å; L151-L153 PolarHBondContact O-N 3.49Å; L153-D156 WeakPolarHBondContact O-CB 3.39Å; L153-D156 PolarHBondContact O-N 3.23Å; L153-S157 PolarHBondContact O-N 3.22Å; L153-Y283 HydrophobicContact CB-CD2 4.46Å; L153-A394 HydrophobicContact CD1-CB 4.33Å; L153-P408 HydrophobicContact CD1-CB 3.79Å; L153-P408 WeakPolarHBondContact CD1-O 3.34Å; L153-K412 HydrophobicContact CD1-CB 4.16Å; L153-K412 HydrophobicContact CD2-CB 3.94Å; L153-K412 HydrophobicContact CD2-CD 3.58Å; L153-K412 HydrophobicContact CD2-CG 3.93Å
154	L	98.6	Very high	97.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-60.8	-49.8	175.9	174.6	59.2	0	0	0	110.6	V142 Y150 L151 D156 S157 L158 I278 H282 L284	V142-L154 HydrophobicContact CB-CD2 4.42Å; V142-L154 HydrophobicContact CG1-CD2 3.49Å; V142-L154 VanDerWaalsContact CG1-CD2 3.49Å; V142-L154 HydrophobicContact CG2-CD2 4.02Å; Y150-L154 PolarHBondContact O-N 2.82Å; L151-L154 HydrophobicContact CD1-CD2 4.33Å; L151-L154 PolarHBondContact O-N 2.87Å; L154-D156 VanDerWaalsContact C-N 3.34Å; L154-D156 PolarHBondContact O-N 3.47Å; L154-S157 PolarHBondContact O-N 2.98Å; L154-S157 VanDerWaalsContact O-N 3.11Å; L154-S157 PolarHBondContact O-OG 2.86Å; L154-L158 HydrophobicContact CD1-CD1 4.07Å; L154-L158 HydrophobicContact CD1-CG 4.24Å; L154-L158 HydrophobicContact CG-CD1 4.01Å; L154-L158 PolarHBondContact O-N 2.95Å; L154-I278 HydrophobicContact CD1-CD1 3.88Å; L154-I278 HydrophobicContact CD2-CD1 4.16Å; L154-H282 WeakPolarHBondContact CB-O 2.94Å; L154-H282 WeakPolarHBondContact CD1-O 3.03Å; L154-L284 HydrophobicContact CD1-CG 4.43Å
155	V	98.7	Very high	97.3	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.018	21%	0.209	C	C	.	.	H	α-helix	trans	-60.3	-42.7	178.2	169.3	0	0	0	0	111.5	L151 K152 S157 L158 R159 F171 V183 V187 F189	L151-V155 WeakPolarHBondContact O-CG2 3.44Å; L151-V155 PolarHBondContact O-N 2.77Å; K152-V155 PolarHBondContact O-N 2.8Å; V155-S157 VanDerWaalsContact C-N 3.3Å; V155-S157 PolarHBondContact O-N 2.61Å; V155-L158 PolarHBondContact O-N 3.07Å; V155-R159 WeakPolarHBondContact O-CB 3.41Å; V155-R159 PolarHBondContact O-N 2.77Å; V155-F171 HydrophobicContact CG2-CE1 4.49Å; V155-F171 HydrophobicContact CG2-CZ 4.2Å; V155-V183 HydrophobicContact CG2-CG1 4.02Å; V155-V187 HydrophobicContact CG1-CG2 3.91Å; V155-V187 HydrophobicContact CG2-CG2 4.06Å; V155-F189 HydrophobicContact CG1-CE1 4.13Å; V155-F189 HydrophobicContact CG1-CZ 4.33Å
156	D	98.2	Very high	97.3	Very high	56 Å²	56	42.4 Å²	42.4	30%	0.299	20%	0.196	S	C	.	.	H	α-helix	trans	-57.8	-42.4	173.6	-82.4	-5.1	0	0	0	111.8	K152 L153 L154 K160 K412	K152-D156 WeakPolarHBondContact O-CB 3.38Å; K152-D156 PolarHBondContact O-N 2.9Å; L153-D156 WeakPolarHBondContact O-CB 3.39Å; L153-D156 PolarHBondContact O-N 3.23Å; L154-D156 VanDerWaalsContact C-N 3.34Å; L154-D156 PolarHBondContact O-N 3.47Å; D156-K160 WeakPolarHBondContact O-CG 3.44Å; D156-K160 PolarHBondContact O-N 2.88Å; D156-K412 IonicContact OD2-NZ 3.9Å; D156-K412 PolarHBondContact OD2-NZ 2.72Å
157	S	98.6	Very high	97.4	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.007	18%	0.181	C	C	.	.	H	α-helix	trans	-69.4	-41.5	179.8	78.6	0	0	0	0	112.3	L153 L154 V155 K160 A161 Y283 L284	L153-S157 PolarHBondContact O-N 3.22Å; L154-S157 PolarHBondContact O-N 2.98Å; L154-S157 VanDerWaalsContact O-N 3.11Å; L154-S157 PolarHBondContact O-OG 2.86Å; V155-S157 VanDerWaalsContact C-N 3.3Å; V155-S157 PolarHBondContact O-N 2.61Å; S157-K160 PolarHBondContact O-N 3.33Å; S157-A161 PolarHBondContact O-N 2.89Å; S157-Y283 VanDerWaalsContact CB-CE1 3.44Å; S157-L284 PolarHBondContact OG-N 2.95Å
158	L	98.8	Very high	97.6	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.4	-42.9	175.9	-78.2	166.7	0	0	0	111.4	L154 V155 K160 A161 L169 F189 L284 F288	L154-L158 HydrophobicContact CD1-CD1 4.07Å; L154-L158 HydrophobicContact CD1-CG 4.24Å; L154-L158 HydrophobicContact CG-CD1 4.01Å; L154-L158 PolarHBondContact O-N 2.95Å; V155-L158 PolarHBondContact O-N 3.07Å; L158-K160 PolarHBondContact O-N 3.16Å; L158-A161 WeakPolarHBondContact O-CB 3.29Å; L158-A161 PolarHBondContact O-N 2.99Å; L158-L169 HydrophobicContact CD1-CD1 4.07Å; L158-L169 HydrophobicContact CD1-CD2 3.9Å; L158-F189 HydrophobicContact CB-CE2 3.95Å; L158-F189 HydrophobicContact CB-CZ 3.89Å; L158-L284 HydrophobicContact CD2-CD1 3.61Å; L158-L284 HydrophobicContact CG-CD1 4.29Å; L158-F288 HydrophobicContact CD2-CE1 4.06Å; L158-F288 HydrophobicContact CD2-CZ 3.95Å
159	R	98.5	Very high	97.7	Very high	102 Å²	102	36.2 Å²	36.2	39%	0.385	17%	0.166	S	C	.	.	H	α-helix	trans	-56.9	-32.5	176.1	-177.8	179.7	-68.1	-76.7	-1.8	112.8	V155 S186 D188 F189	V155-R159 WeakPolarHBondContact O-CB 3.41Å; V155-R159 PolarHBondContact O-N 2.77Å; R159-S186 PolarHBondContact NH2-O 3.38Å; R159-D188 IonicContact CZ-OD1 3.29Å; R159-D188 IonicContact NH1-OD1 3.96Å; R159-D188 PolarHBondContact NH1-OD1 2.98Å; R159-D188 IonicContact NH1-OD2 2.66Å; R159-D188 IonicContact NH2-OD1 2.81Å; R159-D188 PolarHBondContact NH2-OD1 3.36Å; R159-F189 HydrophobicContact CB-CD1 3.93Å; R159-F189 HydrophobicContact CB-CE1 3.68Å; R159-F189 HydrophobicContact CB-CZ 4.14Å; R159-F189 HydrophobicContact CG-CD1 4Å; R159-F189 HydrophobicContact CG-CE1 4.22Å
160	K	98	Very high	97.9	Very high	106 Å²	106	32 Å²	32	46%	0.461	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-9.7	179.2	-64.7	170.8	-171.5	-174.2	0	113.1	D156 S157 L158 E416	D156-K160 WeakPolarHBondContact O-CG 3.44Å; D156-K160 PolarHBondContact O-N 2.88Å; S157-K160 PolarHBondContact O-N 3.33Å; L158-K160 PolarHBondContact O-N 3.16Å; K160-E416 IonicContact NZ-OE1 2.77Å; K160-E416 PolarHBondContact NZ-OE1 3.2Å
161	A	98.3	Very high	98.1	Very high	5 Å²	5	31.8 Å²	31.8	4%	0.041	14%	0.143	C	C	.	.	S	Bend	trans	-79.3	133.2	-176.1	0	0	0	0	0	112	S157 L158 V164 P286 F288	S157-A161 PolarHBondContact O-N 2.89Å; L158-A161 WeakPolarHBondContact O-CB 3.29Å; L158-A161 PolarHBondContact O-N 2.99Å; A161-V164 HydrophobicContact CB-CB 4.4Å; A161-V164 WeakPolarHBondContact O-CB 3.45Å; A161-V164 VanDerWaalsContact O-CG1 3.32Å; A161-V164 WeakPolarHBondContact O-CG1 3.33Å; A161-P286 WeakPolarHBondContact CA-O 3.25Å; A161-F288 HydrophobicContact CB-CD1 3.75Å; A161-F288 HydrophobicContact CB-CE1 3.4Å
162	R	98.1	Very high	98.1	Very high	184 Å²	184	31.8 Å²	31.8	69%	0.694	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	130.4	-178.8	-173.3	178.9	-178.6	-179.7	1.1	110.6	V164 P286 F427	R162-V164 VanDerWaalsContact C-N 3.35Å; R162-P286 PolarHBondContact N-O 3.5Å; R162-F427 HydrophobicContact CB-CE1 3.81Å; R162-F427 HydrophobicContact CB-CZ 3.87Å; R162-F427 HydrophobicContact CG-CE1 4.38Å
163	G	96.7	Very high	98.2	Very high	13 Å²	13	28.3 Å²	28.3	13%	0.134	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.1	6.6	-178.7	0	0	0	0	0	113.8	E165 S166	G163-E165 WeakPolarHBondContact CA-OE2 3.33Å; G163-E165 PolarHBondContact N-OE2 3.33Å; G163-E165 PolarHBondContact O-N 3.22Å; G163-S166 PolarHBondContact O-N 3.15Å; G163-S166 PolarHBondContact O-OG 3.23Å
164	V	97.6	Very high	98.2	Very high	6 Å²	6	28 Å²	28	4%	0.036	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-61.9	-26.1	-179.7	71.8	0	0	0	0	112.1	A161 R162 S166 I167 F189 C190 I289	A161-V164 HydrophobicContact CB-CB 4.4Å; A161-V164 WeakPolarHBondContact O-CB 3.45Å; A161-V164 VanDerWaalsContact O-CG1 3.32Å; A161-V164 WeakPolarHBondContact O-CG1 3.33Å; R162-V164 VanDerWaalsContact C-N 3.35Å; V164-S166 PolarHBondContact O-N 3.15Å; V164-I167 HydrophobicContact CG2-CD1 3.76Å; V164-I167 HydrophobicContact CG2-CG1 4.28Å; V164-I167 WeakPolarHBondContact O-CG1 3.36Å; V164-I167 PolarHBondContact O-N 2.82Å; V164-I167 VanDerWaalsContact O-N 3.14Å; V164-F189 HydrophobicContact CB-CD2 4.49Å; V164-F189 HydrophobicContact CG1-CD2 3.78Å; V164-F189 HydrophobicContact CG1-CE2 4.45Å; V164-F189 HydrophobicContact CG2-CD2 3.87Å; V164-F189 HydrophobicContact CG2-CE2 3.82Å; V164-C190 VanDerWaalsContact O-CB 3.23Å; V164-C190 WeakPolarHBondContact O-CB 3.49Å; V164-I289 HydrophobicContact CB-CD1 4.23Å
165	E	97.2	Very high	98.2	Very high	88 Å²	88	32 Å²	32	41%	0.411	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	-60.3	-18.3	177.3	68.6	-78.9	-177.3	0	0	114.2	Y130 G163 F189	Y130-E165 HydrophobicContact CD1-CB 3.89Å; Y130-E165 HydrophobicContact CE1-CB 4.02Å; G163-E165 WeakPolarHBondContact CA-OE2 3.33Å; G163-E165 PolarHBondContact N-OE2 3.33Å; G163-E165 PolarHBondContact O-N 3.22Å; E165-F189 WeakPolarHBondContact CA-O 3.44Å
166	S	96.3	Very high	98.1	Very high	18 Å²	18	34.4 Å²	34.4	13%	0.126	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-91.3	-9.1	179.7	64.5	0	0	0	0	114.7	R133 D137 G163 V164	R133-S166 WeakPolarHBondContact CG-O 3.38Å; D137-S166 WeakPolarHBondContact CB-O 3.33Å; G163-S166 PolarHBondContact O-N 3.15Å; G163-S166 PolarHBondContact O-OG 3.23Å; V164-S166 PolarHBondContact O-N 3.15Å
167	I	97.8	Very high	98	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-85.7	157.5	-175.6	80.9	179.9	0	0	0	112	L138 V140 V164 L169 C190 I289	L138-I167 HydrophobicContact CB-CG2 4.25Å; L138-I167 HydrophobicContact CD2-CG2 4.34Å; L138-I167 WeakPolarHBondContact O-CA 3.23Å; L138-I167 WeakPolarHBondContact O-CB 3.06Å; V140-I167 HydrophobicContact CB-CD1 4.17Å; V140-I167 HydrophobicContact CG2-CD1 3.75Å; V164-I167 HydrophobicContact CG2-CD1 3.76Å; V164-I167 HydrophobicContact CG2-CG1 4.28Å; V164-I167 WeakPolarHBondContact O-CG1 3.36Å; V164-I167 PolarHBondContact O-N 2.82Å; V164-I167 VanDerWaalsContact O-N 3.14Å; I167-L169 HydrophobicContact CD1-CB 4.17Å; I167-L169 HydrophobicContact CD1-CD1 4.48Å; I167-L169 HydrophobicContact CG1-CB 4.37Å; I167-C190 HydrophobicContact CG1-CB 4.12Å; I167-I289 HydrophobicContact CG2-CD1 3.85Å
168	L	98.7	Very high	97.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	119.7	153.6	177.5	64	0	0	0	108.8	I124 L138 V139 V140 I170 Q191 L193 L268	I124-L168 HydrophobicContact CD1-CD1 4.5Å; I124-L168 HydrophobicContact CG2-CD1 4.25Å; L138-L168 PolarHBondContact O-N 3.11Å; V139-L168 WeakPolarHBondContact CA-O 3.47Å; V139-L168 HydrophobicContact CG2-CB 4.49Å; V140-L168 PolarHBondContact N-O 3.12Å; L168-I170 HydrophobicContact CD2-CD1 4.04Å; L168-I170 HydrophobicContact CD2-CG1 4.13Å; L168-I170 HydrophobicContact CG-CD1 4.44Å; L168-I170 HydrophobicContact CG-CG1 4Å; L168-Q191 HydrophobicContact CD1-CB 4.01Å; L168-L193 HydrophobicContact CD1-CB 4.35Å; L168-L268 HydrophobicContact CD2-CD2 3.9Å; L168-L268 HydrophobicContact CD2-CG 4.25Å
169	L	98.9	Very high	97.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	114.4	176.6	-177.3	60.4	0	0	0	110.1	V140 V142 L158 I167 F171 V187 Q191 V192 L193	V140-L169 HydrophobicContact CB-CD1 3.87Å; V140-L169 HydrophobicContact CG1-CD1 3.84Å; V142-L169 HydrophobicContact CG2-CD1 3.87Å; L158-L169 HydrophobicContact CD1-CD1 4.07Å; L158-L169 HydrophobicContact CD1-CD2 3.9Å; I167-L169 HydrophobicContact CD1-CB 4.17Å; I167-L169 HydrophobicContact CD1-CD1 4.48Å; I167-L169 HydrophobicContact CG1-CB 4.37Å; L169-F171 HydrophobicContact CD1-CZ 4.47Å; L169-F171 HydrophobicContact CD2-CE2 3.55Å; L169-F171 HydrophobicContact CD2-CZ 3.5Å; L169-F171 VanDerWaalsContact CD2-CZ 3.5Å; L169-F171 HydrophobicContact CG-CD2 4.33Å; L169-F171 HydrophobicContact CG-CE2 3.68Å; L169-F171 HydrophobicContact CG-CZ 3.9Å; L169-V187 HydrophobicContact CD2-CG1 4.31Å; L169-Q191 PolarHBondContact N-O 3.01Å; L169-V192 CarbonylContact O-C 3.55Å; L169-V192 VanDerWaalsContact O-CA 3.29Å; L169-V192 WeakPolarHBondContact O-CA 3.4Å; L169-L193 PolarHBondContact O-N 3.07Å
170	I	98.9	Very high	97.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	122.3	179.3	-52.8	-175.3	0	0	0	109	V139 V140 V141 V142 L168 L193 I195 V261 L268	V139-I170 HydrophobicContact CG1-CD1 3.77Å; V139-I170 HydrophobicContact CG1-CG1 4.12Å; V140-I170 PolarHBondContact O-N 3.35Å; V141-I170 CarbonylContact C-O 3.55Å; V141-I170 WeakPolarHBondContact CA-O 3.35Å; V141-I170 HydrophobicContact CG2-CB 4.26Å; V141-I170 HydrophobicContact CG2-CD1 4.4Å; V142-I170 PolarHBondContact N-O 2.76Å; L168-I170 HydrophobicContact CD2-CD1 4.04Å; L168-I170 HydrophobicContact CD2-CG1 4.13Å; L168-I170 HydrophobicContact CG-CD1 4.44Å; L168-I170 HydrophobicContact CG-CG1 4Å; I170-L193 CarbonylContact C-O 3.53Å; I170-L193 VanDerWaalsContact CA-O 3.29Å; I170-L193 WeakPolarHBondContact CA-O 3.37Å; I170-L193 HydrophobicContact CD1-CD2 4.22Å; I170-L193 HydrophobicContact CG1-CB 4.26Å; I170-L193 HydrophobicContact CG1-CD2 4.37Å; I170-L193 HydrophobicContact CG2-CD2 4.49Å; I170-I195 HydrophobicContact CG2-CD1 3.87Å; I170-I195 HydrophobicContact CG2-CG1 3.92Å; I170-I195 HydrophobicContact CG2-CG2 4.24Å; I170-V261 HydrophobicContact CD1-CG1 4.19Å; I170-V261 HydrophobicContact CD1-CG2 4.21Å; I170-V261 HydrophobicContact CG2-CG2 4.5Å; I170-L268 HydrophobicContact CD1-CD1 3.89Å
171	F	98.9	Very high	97.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	120.1	167.4	-62.8	-86.4	0	0	0	109.2	V142 V144 L151 V155 L169 H173 V184 V187 V192 L193 Q194 I195	V142-F171 HydrophobicContact CB-CD1 3.82Å; V142-F171 HydrophobicContact CB-CE1 4.26Å; V142-F171 HydrophobicContact CG1-CD1 4.25Å; V142-F171 HydrophobicContact CG2-CD1 3.9Å; V142-F171 HydrophobicContact CG2-CE1 3.9Å; V144-F171 HydrophobicContact CG2-CB 4.27Å; V144-F171 HydrophobicContact CG2-CD1 3.86Å; L151-F171 HydrophobicContact CD1-CD1 4.16Å; L151-F171 HydrophobicContact CD1-CE1 3.82Å; V155-F171 HydrophobicContact CG2-CE1 4.49Å; V155-F171 HydrophobicContact CG2-CZ 4.2Å; L169-F171 HydrophobicContact CD1-CZ 4.47Å; L169-F171 HydrophobicContact CD2-CE2 3.55Å; L169-F171 HydrophobicContact CD2-CZ 3.5Å; L169-F171 VanDerWaalsContact CD2-CZ 3.5Å; L169-F171 HydrophobicContact CG-CD2 4.33Å; L169-F171 HydrophobicContact CG-CE2 3.68Å; L169-F171 HydrophobicContact CG-CZ 3.9Å; F171-H173 VanDerWaalsContact CB-NE2 3.3Å; F171-H173 WeakPolarHBondContact CB-NE2 3.38Å; F171-H173 PolarHBondContact O-CD2 3.03Å; F171-V184 HydrophobicContact CB-CG2 4.33Å; F171-V184 HydrophobicContact CD1-CG2 4.03Å; F171-V184 HydrophobicContact CD2-CB 4.34Å; F171-V184 HydrophobicContact CD2-CG1 3.51Å; F171-V184 HydrophobicContact CD2-CG2 3.91Å; F171-V184 HydrophobicContact CE1-CG2 4.27Å; F171-V184 HydrophobicContact CE2-CB 4.43Å; F171-V184 HydrophobicContact CE2-CG1 3.74Å; F171-V184 HydrophobicContact CE2-CG2 4.15Å; F171-V184 HydrophobicContact CG-CG1 4.21Å; F171-V184 HydrophobicContact CG-CG2 3.83Å; F171-V184 HydrophobicContact CZ-CG2 4.31Å; F171-V187 HydrophobicContact CE2-CG2 4.27Å; F171-V187 HydrophobicContact CZ-CG2 4.21Å; F171-V192 HydrophobicContact CD2-CG1 3.8Å; F171-V192 HydrophobicContact CE2-CG1 3.83Å; F171-L193 PolarHBondContact N-O 3.09Å; F171-Q194 HydrophobicContact CB-CG 4.41Å; F171-Q194 WeakPolarHBondContact O-CA 3.46Å; F171-I195 PolarHBondContact O-N 3.09Å
172	S	98.9	Very high	97.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	114.9	177.4	-174.7	0	0	0	0	109.3	V142 V144 I195 H253 W256 K257	V142-S172 WeakPolarHBondContact O-CB 3.42Å; V142-S172 PolarHBondContact O-N 3.11Å; V144-S172 PolarHBondContact N-O 3.41Å; S172-I195 CarbonylContact C-O 3.16Å; S172-I195 WeakPolarHBondContact CA-O 3.44Å; S172-H253 PolarHBondContact O-CE1 3.46Å; S172-H253 PolarHBondContact O-NE2 2.83Å; S172-H253 PolarHBondContact OG-NE2 2.95Å; S172-W256 WeakPolarHBondContact OG-CZ3 3.18Å; S172-K257 VanDerWaalsContact OG-CB 3.25Å; S172-K257 WeakPolarHBondContact OG-CB 3.28Å
173	H	98.9	Very high	97.7	Very high	1 Å²	1	32 Å²	32	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	135.7	-170.4	-58.5	-86.8	0	0	0	111.8	V144 F171 Q194 I195 F196 F197	V144-H173 WeakPolarHBondContact O-CA 3.13Å; F171-H173 VanDerWaalsContact CB-NE2 3.3Å; F171-H173 WeakPolarHBondContact CB-NE2 3.38Å; F171-H173 PolarHBondContact O-CD2 3.03Å; H173-Q194 PolarHBondContact NE2-NE2 3.12Å; H173-I195 PolarHBondContact CD2-O 3.27Å; H173-I195 PolarHBondContact N-O 2.91Å; H173-F196 HydrophobicContact CB-CD1 3.58Å; H173-F196 HydrophobicContact CB-CE1 3.81Å; H173-F196 HydrophobicContact CB-CG 4.41Å; H173-F196 AromaticContact CD2-CE1 3.66Å; H173-F196 AromaticContact CD2-CZ 3.89Å; H173-F196 AromaticContact CG-CE1 3.82Å; H173-F196 CarbonylContact O-C 3.6Å; H173-F196 WeakPolarHBondContact O-CA 3.39Å; H173-F197 PolarHBondContact O-N 2.94Å
174	D	98.5	Very high	97.7	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.021	15%	0.152	C	C	.	.	S	Bend	trans	-106.8	5.8	164.3	59	27.4	0	0	0	113	V144 H145 F197 S200 Q249 H253	V144-D174 PolarHBondContact O-N 3.18Å; H145-D174 WeakPolarHBondContact CA-OD1 3.21Å; H145-D174 IonicContact CE1-OD1 3.86Å; H145-D174 IonicContact CG-OD1 3.56Å; H145-D174 IonicContact ND1-OD1 2.74Å; H145-D174 PolarHBondContact ND1-OD1 3.32Å; H145-D174 IonicContact ND1-OD2 2.75Å; D174-F197 HydrophobicContact CB-CB 4.08Å; D174-F197 HydrophobicContact CB-CD1 3.91Å; D174-F197 HydrophobicContact CB-CG 4.47Å; D174-S200 WeakPolarHBondContact O-CB 3.46Å; D174-S200 PolarHBondContact O-OG 3.28Å; D174-Q249 HydrophobicContact CB-CG 4.32Å; D174-Q249 PolarHBondContact OD1-NE2 2.75Å; D174-Q249 PolarHBondContact OD2-NE2 2.97Å; D174-Q249 VanDerWaalsContact OD2-NE2 3.11Å; D174-H253 HydrophobicContact CB-CB 4.49Å; D174-H253 WeakPolarHBondContact CB-ND1 3.42Å; D174-H253 VanDerWaalsContact CG-ND1 3.27Å; D174-H253 PolarHBondContact N-CE1 2.96Å; D174-H253 IonicContact OD2-CE1 3.87Å; D174-H253 IonicContact OD2-CG 3.74Å; D174-H253 IonicContact OD2-ND1 2.78Å; D174-H253 PolarHBondContact OD2-ND1 3.32Å
175	Y	97.9	Very high	97.8	Very high	86 Å²	86	33.5 Å²	33.5	34%	0.337	17%	0.171	S	C	.	.	S	Bend	trans	-143.2	123.1	177.4	-165.8	-92.8	0	0	0	110.8	H145 N146 S177 Q202	H145-Y175 WeakPolarHBondContact O-CB 3.47Å; N146-Y175 HydrophobicContact CB-CD1 3.98Å; N146-Y175 HydrophobicContact CB-CG 4.23Å; Y175-S177 PolarHBondContact O-N 2.87Å; Y175-Q202 HydrophobicContact CD2-CB 4.09Å; Y175-Q202 HydrophobicContact CD2-CG 4.26Å; Y175-Q202 HydrophobicContact CE2-CB 4.33Å; Y175-Q202 HydrophobicContact CE2-CG 4.15Å
176	W	96.3	Very high	97.8	Very high	52 Å²	52	32 Å²	32	20%	0.197	17%	0.17	C	C	.	.			trans	-78	115.9	170.9	-176.3	-89.9	0	0	0	109.9	Y111 I114 L118 N181 F196 Q202	Y111-W176 HydrophobicContact CD1-CB 4.49Å; Y111-W176 AromaticContact CD1-CD1 3.89Å; Y111-W176 HydrophobicContact CD1-CG 4.14Å; Y111-W176 AromaticContact CE1-CD1 3.42Å; Y111-W176 VanDerWaalsContact CE1-CD1 3.42Å; Y111-W176 HydrophobicContact CE1-CG 4.1Å; Y111-W176 AromaticContact CE1-NE1 3.84Å; Y111-W176 AromaticContact CZ-CD1 3.96Å; I114-W176 HydrophobicContact CG2-CE3 4.05Å; I114-W176 HydrophobicContact CG2-CH2 3.64Å; I114-W176 HydrophobicContact CG2-CZ2 4.16Å; I114-W176 HydrophobicContact CG2-CZ3 3.58Å; L118-W176 HydrophobicContact CD1-CH2 3.8Å; L118-W176 HydrophobicContact CD1-CZ3 3.44Å; L118-W176 VanDerWaalsContact CD1-CZ3 3.44Å; W176-N181 VanDerWaalsContact CZ2-ND2 3.33Å; W176-N181 WeakPolarHBondContact CZ2-ND2 3.44Å; W176-F196 HydrophobicContact CE3-CD1 4.02Å; W176-F196 AromaticContact CE3-CE1 3.41Å; W176-F196 HydrophobicContact CE3-CE1 3.41Å; W176-F196 VanDerWaalsContact CE3-CE1 3.41Å; W176-F196 AromaticContact CE3-CZ 3.83Å; W176-F196 HydrophobicContact CE3-CZ 3.83Å; W176-F196 HydrophobicContact CZ3-CD1 4.42Å; W176-F196 AromaticContact CZ3-CE1 3.61Å; W176-F196 HydrophobicContact CZ3-CE1 3.61Å; W176-F196 HydrophobicContact CZ3-CE2 4.2Å; W176-F196 AromaticContact CZ3-CZ 3.48Å; W176-F196 HydrophobicContact CZ3-CZ 3.48Å; W176-F196 VanDerWaalsContact CZ3-CZ 3.48Å; W176-Q202 PolarHBondContact O-NE2 2.83Å
177	S	95.6	Very high	97.9	Very high	12 Å²	12	31.1 Å²	31.1	8%	0.084	16%	0.164	C	C	.	.			trans	-138	126.6	179.1	165.7	0	0	0	0	110.4	Y175 E179 I180 N181	Y175-S177 PolarHBondContact O-N 2.87Å; S177-E179 PolarHBondContact O-N 3.27Å; S177-E179 PolarHBondContact OG-N 3.48Å; S177-I180 PolarHBondContact O-N 3.36Å; S177-I180 PolarHBondContact OG-N 2.91Å; S177-N181 WeakPolarHBondContact O-CB 3.39Å; S177-N181 VanDerWaalsContact O-CG 3.29Å; S177-N181 PolarHBondContact O-N 2.65Å; S177-N181 PolarHBondContact O-ND2 2.9Å
178	P	95	Very high	97.9	Very high	97 Å²	97	34.5 Å²	34.5	63%	0.63	18%	0.182	S	C	*	.	H	α-helix	trans	-56.9	-34.6	173.2	-26.3	35.3	0	0	0	113.2	K182	P178-K182 WeakPolarHBondContact O-CB 3.32Å; P178-K182 PolarHBondContact O-N 3.29Å
179	E	97.3	Very high	97.8	Very high	92 Å²	92	35.3 Å²	35.3	43%	0.43	19%	0.185	S	C	.	.	H	α-helix	trans	-68.7	-46.7	178.7	-169.6	-179.5	174.8	0	0	111.4	P148 K152 S177 N181 K182 V183	P148-E179 HydrophobicContact CB-CB 4.5Å; P148-E179 HydrophobicContact CB-CG 3.78Å; P148-E179 WeakPolarHBondContact CB-OE1 3.36Å; P148-E179 HydrophobicContact CG-CG 4.07Å; P148-E179 WeakPolarHBondContact CG-OE1 2.95Å; P148-E179 WeakPolarHBondContact CG-OE2 3.49Å; K152-E179 IonicContact NZ-OE1 3.73Å; K152-E179 PolarHBondContact NZ-OE1 3.47Å; S177-E179 PolarHBondContact O-N 3.27Å; S177-E179 PolarHBondContact OG-N 3.48Å; E179-N181 VanDerWaalsContact C-N 3.34Å; E179-N181 PolarHBondContact O-N 3.09Å; E179-K182 WeakPolarHBondContact O-CB 3.16Å; E179-K182 PolarHBondContact O-N 2.98Å; E179-V183 WeakPolarHBondContact O-CG2 3.39Å; E179-V183 PolarHBondContact O-N 3.42Å; E179-V183 VanDerWaalsContact O-N 3.1Å
180	I	98.1	Very high	97.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.2	-46.5	175.2	-66.7	-70.3	0	0	0	110.3	V144 P148 L151 S177 K182 V183 V184	V144-I180 HydrophobicContact CG1-CD1 4.23Å; V144-I180 HydrophobicContact CG1-CG2 3.8Å; P148-I180 HydrophobicContact CB-CD1 3.8Å; P148-I180 HydrophobicContact CG-CD1 4.48Å; L151-I180 HydrophobicContact CD2-CD1 3.78Å; L151-I180 HydrophobicContact CD2-CG2 3.86Å; S177-I180 PolarHBondContact O-N 3.36Å; S177-I180 PolarHBondContact OG-N 2.91Å; I180-K182 VanDerWaalsContact C-N 3.26Å; I180-K182 PolarHBondContact O-N 3.31Å; I180-V183 WeakPolarHBondContact O-CB 3.36Å; I180-V183 PolarHBondContact O-N 3.19Å; I180-V184 PolarHBondContact O-N 3.13Å
181	N	96.8	Very high	97.8	Very high	25 Å²	25	35.8 Å²	35.8	13%	0.134	19%	0.188	C	C	.	.	H	α-helix	trans	-61	-35.6	178.3	-73.6	-19.9	0	0	0	111.8	W176 S177 E179 V184 A185 Q194	W176-N181 VanDerWaalsContact CZ2-ND2 3.33Å; W176-N181 WeakPolarHBondContact CZ2-ND2 3.44Å; S177-N181 WeakPolarHBondContact O-CB 3.39Å; S177-N181 VanDerWaalsContact O-CG 3.29Å; S177-N181 PolarHBondContact O-N 2.65Å; S177-N181 PolarHBondContact O-ND2 2.9Å; E179-N181 VanDerWaalsContact C-N 3.34Å; E179-N181 PolarHBondContact O-N 3.09Å; N181-V184 PolarHBondContact O-N 3.1Å; N181-A185 WeakPolarHBondContact O-CB 3.43Å; N181-A185 PolarHBondContact O-N 2.92Å; N181-Q194 PolarHBondContact OD1-NE2 3.17Å; N181-Q194 VanDerWaalsContact OD1-NE2 3.13Å
182	K	98.2	Very high	97.8	Very high	167 Å²	167	35.8 Å²	35.8	73%	0.726	19%	0.188	S	C	*	.	H	α-helix	trans	-66	-38.6	173.9	-173.8	177.7	180	179.1	0	112.4	P178 E179 I180 A185 S186	P178-K182 WeakPolarHBondContact O-CB 3.32Å; P178-K182 PolarHBondContact O-N 3.29Å; E179-K182 WeakPolarHBondContact O-CB 3.16Å; E179-K182 PolarHBondContact O-N 2.98Å; I180-K182 VanDerWaalsContact C-N 3.26Å; I180-K182 PolarHBondContact O-N 3.31Å; K182-A185 WeakPolarHBondContact O-CB 3.38Å; K182-A185 PolarHBondContact O-N 2.95Å; K182-S186 PolarHBondContact O-N 3.05Å; K182-S186 VanDerWaalsContact O-N 3.17Å
183	V	98.5	Very high	97.8	Very high	10 Å²	10	35.9 Å²	35.9	6%	0.061	19%	0.188	C	C	.	.	H	α-helix	trans	-64.1	-48.1	175	178	0	0	0	0	110.3	L151 K152 V155 E179 I180 A185 S186	L151-V183 HydrophobicContact CB-CG1 4.38Å; L151-V183 HydrophobicContact CD2-CB 4.15Å; L151-V183 HydrophobicContact CD2-CG1 3.99Å; L151-V183 HydrophobicContact CG-CG1 3.82Å; K152-V183 HydrophobicContact CD-CG2 4.25Å; K152-V183 HydrophobicContact CG-CB 4.49Å; K152-V183 HydrophobicContact CG-CG1 4Å; K152-V183 HydrophobicContact CG-CG2 3.59Å; V155-V183 HydrophobicContact CG2-CG1 4.02Å; E179-V183 WeakPolarHBondContact O-CG2 3.39Å; E179-V183 PolarHBondContact O-N 3.42Å; E179-V183 VanDerWaalsContact O-N 3.1Å; I180-V183 WeakPolarHBondContact O-CB 3.36Å; I180-V183 PolarHBondContact O-N 3.19Å; V183-A185 VanDerWaalsContact C-N 3.29Å; V183-A185 PolarHBondContact O-N 2.88Å; V183-S186 WeakPolarHBondContact O-CB 3.3Å; V183-S186 PolarHBondContact O-N 3.45Å; V183-S186 VanDerWaalsContact O-N 3.12Å; V183-S186 PolarHBondContact O-OG 3.22Å
184	V	98.4	Very high	97.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.1	-35.4	175.9	179.1	0	0	0	0	111.6	R125 L151 F171 I180 N181 S186 V187 V192 Q194	R125-V184 PolarHBondContact NH1-O 2.77Å; L151-V184 HydrophobicContact CD2-CG2 4.29Å; F171-V184 HydrophobicContact CB-CG2 4.33Å; F171-V184 HydrophobicContact CD1-CG2 4.03Å; F171-V184 HydrophobicContact CD2-CB 4.34Å; F171-V184 HydrophobicContact CD2-CG1 3.51Å; F171-V184 HydrophobicContact CD2-CG2 3.91Å; F171-V184 HydrophobicContact CE1-CG2 4.27Å; F171-V184 HydrophobicContact CE2-CB 4.43Å; F171-V184 HydrophobicContact CE2-CG1 3.74Å; F171-V184 HydrophobicContact CE2-CG2 4.15Å; F171-V184 HydrophobicContact CG-CG1 4.21Å; F171-V184 HydrophobicContact CG-CG2 3.83Å; F171-V184 HydrophobicContact CZ-CG2 4.31Å; I180-V184 PolarHBondContact O-N 3.13Å; N181-V184 PolarHBondContact O-N 3.1Å; V184-S186 PolarHBondContact O-N 3.45Å; V184-V187 WeakPolarHBondContact O-CB 3.17Å; V184-V187 PolarHBondContact O-N 3.27Å; V184-V192 HydrophobicContact CG1-CG1 3.91Å; V184-Q194 HydrophobicContact CG1-CG 3.7Å
185	A	97.7	Very high	97.8	Very high	51 Å²	51	37.4 Å²	37.4	42%	0.421	20%	0.195	S	C	.	.	H	α-helix	trans	-58.8	-32.6	174.1	0	0	0	0	0	112.8	R125 N181 K182 V183 V187	R125-A185 VanDerWaalsContact NH1-CA 3.33Å; R125-A185 PolarHBondContact NH2-O 3.11Å; N181-A185 WeakPolarHBondContact O-CB 3.43Å; N181-A185 PolarHBondContact O-N 2.92Å; K182-A185 WeakPolarHBondContact O-CB 3.38Å; K182-A185 PolarHBondContact O-N 2.95Å; V183-A185 VanDerWaalsContact C-N 3.29Å; V183-A185 PolarHBondContact O-N 2.88Å; A185-V187 PolarHBondContact O-N 3.06Å
186	S	98.1	Very high	97.8	Very high	57 Å²	57	33.6 Å²	33.6	40%	0.399	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-9.3	179.8	79.2	0	0	0	0	115.1	R159 K182 V183 V184 D188	R159-S186 PolarHBondContact NH2-O 3.38Å; K182-S186 PolarHBondContact O-N 3.05Å; K182-S186 VanDerWaalsContact O-N 3.17Å; V183-S186 WeakPolarHBondContact O-CB 3.3Å; V183-S186 PolarHBondContact O-N 3.45Å; V183-S186 VanDerWaalsContact O-N 3.12Å; V183-S186 PolarHBondContact O-OG 3.22Å; V184-S186 PolarHBondContact O-N 3.45Å; S186-D188 PolarHBondContact O-N 3.45Å; S186-D188 VanDerWaalsContact O-N 3.16Å
187	V	98.6	Very high	97.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.171	C	C	.	.			trans	-73.9	108.1	177.8	-178.8	0	0	0	0	109.5	N126 V155 L169 F171 V184 A185 F189 V192	N126-V187 PolarHBondContact ND2-O 3Å; V155-V187 HydrophobicContact CG1-CG2 3.91Å; V155-V187 HydrophobicContact CG2-CG2 4.06Å; L169-V187 HydrophobicContact CD2-CG1 4.31Å; F171-V187 HydrophobicContact CE2-CG2 4.27Å; F171-V187 HydrophobicContact CZ-CG2 4.21Å; V184-V187 WeakPolarHBondContact O-CB 3.17Å; V184-V187 PolarHBondContact O-N 3.27Å; A185-V187 PolarHBondContact O-N 3.06Å; V187-F189 HydrophobicContact CB-CE1 4.35Å; V187-F189 HydrophobicContact CG1-CD1 4.15Å; V187-F189 HydrophobicContact CG1-CD2 4.3Å; V187-F189 HydrophobicContact CG1-CE1 3.79Å; V187-F189 HydrophobicContact CG1-CE2 3.94Å; V187-F189 HydrophobicContact CG1-CG 4.41Å; V187-F189 HydrophobicContact CG1-CZ 3.69Å; V187-F189 HydrophobicContact CG2-CE1 4.37Å; V187-F189 HydrophobicContact CG2-CZ 4.35Å; V187-V192 HydrophobicContact CB-CG2 3.86Å; V187-V192 HydrophobicContact CG1-CG2 3.38Å
188	D	97.5	Very high	98.1	Very high	70 Å²	70	32.1 Å²	32.1	37%	0.374	18%	0.177	S	C	.	.			trans	-125.5	16.2	-174.7	68.9	-26.2	0	0	0	112.4	K129 Y130 R159 S186	K129-D188 PolarHBondContact NZ-O 2.81Å; Y130-D188 WeakPolarHBondContact CE2-O 3.24Å; Y130-D188 PolarHBondContact OH-O 3.05Å; R159-D188 IonicContact CZ-OD1 3.29Å; R159-D188 IonicContact NH1-OD1 3.96Å; R159-D188 PolarHBondContact NH1-OD1 2.98Å; R159-D188 IonicContact NH1-OD2 2.66Å; R159-D188 IonicContact NH2-OD1 2.81Å; R159-D188 PolarHBondContact NH2-OD1 3.36Å; S186-D188 PolarHBondContact O-N 3.45Å; S186-D188 VanDerWaalsContact O-N 3.16Å
189	F	97.5	Very high	98.2	Very high	17 Å²	17	29.6 Å²	29.6	8%	0.075	16%	0.157	C	C	.	.	S	Bend	trans	-118.3	-4.7	-172.4	55.5	-100.6	0	0	0	115.4	Y130 V155 L158 R159 V164 E165 V187	Y130-F189 VanDerWaalsContact CZ-C 3.44Å; Y130-F189 WeakPolarHBondContact OH-CA 3.47Å; V155-F189 HydrophobicContact CG1-CE1 4.13Å; V155-F189 HydrophobicContact CG1-CZ 4.33Å; L158-F189 HydrophobicContact CB-CE2 3.95Å; L158-F189 HydrophobicContact CB-CZ 3.89Å; R159-F189 HydrophobicContact CB-CD1 3.93Å; R159-F189 HydrophobicContact CB-CE1 3.68Å; R159-F189 HydrophobicContact CB-CZ 4.14Å; R159-F189 HydrophobicContact CG-CD1 4Å; R159-F189 HydrophobicContact CG-CE1 4.22Å; V164-F189 HydrophobicContact CB-CD2 4.49Å; V164-F189 HydrophobicContact CG1-CD2 3.78Å; V164-F189 HydrophobicContact CG1-CE2 4.45Å; V164-F189 HydrophobicContact CG2-CD2 3.87Å; V164-F189 HydrophobicContact CG2-CE2 3.82Å; E165-F189 WeakPolarHBondContact CA-O 3.44Å; V187-F189 HydrophobicContact CB-CE1 4.35Å; V187-F189 HydrophobicContact CG1-CD1 4.15Å; V187-F189 HydrophobicContact CG1-CD2 4.3Å; V187-F189 HydrophobicContact CG1-CE1 3.79Å; V187-F189 HydrophobicContact CG1-CE2 3.94Å; V187-F189 HydrophobicContact CG1-CG 4.41Å; V187-F189 HydrophobicContact CG1-CZ 3.69Å; V187-F189 HydrophobicContact CG2-CE1 4.37Å; V187-F189 HydrophobicContact CG2-CZ 4.35Å
190	C	98.1	Very high	98.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	-157.9	175.2	175.9	62	0	0	0	0	110.8	N126 V164 I167	N126-C190 WeakPolarHBondContact CB-O 3.25Å; N126-C190 PolarHBondContact ND2-O 3.33Å; V164-C190 VanDerWaalsContact O-CB 3.23Å; V164-C190 WeakPolarHBondContact O-CB 3.49Å; I167-C190 HydrophobicContact CG1-CB 4.12Å
191	Q	98.4	Very high	98.3	Very high	10 Å²	10	27.1 Å²	27.1	5%	0.047	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	136.8	171.8	-63.5	-170.9	-16.7	0	0	110.7	I124 R125 Y130 R133 L168 L169	I124-Q191 HydrophobicContact CG2-CB 3.93Å; I124-Q191 HydrophobicContact CG2-CG 4.43Å; R125-Q191 WeakPolarHBondContact O-CA 3.49Å; Y130-Q191 PolarHBondContact O-NE2 3.27Å; R133-Q191 VanDerWaalsContact CD-OE1 3.31Å; L168-Q191 HydrophobicContact CD1-CB 4.01Å; L169-Q191 PolarHBondContact N-O 3.01Å
192	V	98.8	Very high	98.4	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.006	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	133.4	-174.7	-178.1	0	0	0	0	111.7	I124 R125 L169 F171 V184 V187	I124-V192 CarbonylContact C-O 3.58Å; I124-V192 WeakPolarHBondContact CA-O 3.42Å; R125-V192 HydrophobicContact CB-CB 4.32Å; R125-V192 PolarHBondContact N-O 3.27Å; R125-V192 PolarHBondContact O-N 2.91Å; L169-V192 CarbonylContact O-C 3.55Å; L169-V192 VanDerWaalsContact O-CA 3.29Å; L169-V192 WeakPolarHBondContact O-CA 3.4Å; F171-V192 HydrophobicContact CD2-CG1 3.8Å; F171-V192 HydrophobicContact CE2-CG1 3.83Å; V184-V192 HydrophobicContact CG1-CG1 3.91Å; V187-V192 HydrophobicContact CB-CG2 3.86Å; V187-V192 HydrophobicContact CG1-CG2 3.38Å
193	L	98.8	Very high	98.3	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.01	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	139.3	169.7	174.9	64.5	0	0	0	109.4	Q122 L168 L169 I170 F171 I195 V265	Q122-L193 HydrophobicContact CB-CD1 3.99Å; L168-L193 HydrophobicContact CD1-CB 4.35Å; L169-L193 PolarHBondContact O-N 3.07Å; I170-L193 CarbonylContact C-O 3.53Å; I170-L193 VanDerWaalsContact CA-O 3.29Å; I170-L193 WeakPolarHBondContact CA-O 3.37Å; I170-L193 HydrophobicContact CD1-CD2 4.22Å; I170-L193 HydrophobicContact CG1-CB 4.26Å; I170-L193 HydrophobicContact CG1-CD2 4.37Å; I170-L193 HydrophobicContact CG2-CD2 4.49Å; F171-L193 PolarHBondContact N-O 3.09Å; L193-I195 HydrophobicContact CD2-CG2 3.96Å; L193-I195 HydrophobicContact CG-CG2 3.98Å; L193-V265 HydrophobicContact CD2-CG1 3.65Å; L193-V265 HydrophobicContact CD2-CG2 4.07Å
194	Q	98.8	Very high	98.3	Very high	37 Å²	37	21.7 Å²	21.7	17%	0.173	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	132.7	167.4	-68.4	-175.8	-108.5	0	0	109.1	F171 H173 N181 V184 F196	F171-Q194 HydrophobicContact CB-CG 4.41Å; F171-Q194 WeakPolarHBondContact O-CA 3.46Å; H173-Q194 PolarHBondContact NE2-NE2 3.12Å; N181-Q194 PolarHBondContact OD1-NE2 3.17Å; N181-Q194 VanDerWaalsContact OD1-NE2 3.13Å; V184-Q194 HydrophobicContact CG1-CG 3.7Å; Q194-F196 HydrophobicContact CB-CE2 3.78Å; Q194-F196 HydrophobicContact CB-CZ 3.97Å
195	I	98.8	Very high	98.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	152	171.4	67	176.5	0	0	0	108.5	N119 I170 F171 S172 H173 L193 W256 F260 V261	N119-I195 WeakPolarHBondContact OD1-CA 3.39Å; I170-I195 HydrophobicContact CG2-CD1 3.87Å; I170-I195 HydrophobicContact CG2-CG1 3.92Å; I170-I195 HydrophobicContact CG2-CG2 4.24Å; F171-I195 PolarHBondContact O-N 3.09Å; S172-I195 CarbonylContact C-O 3.16Å; S172-I195 WeakPolarHBondContact CA-O 3.44Å; H173-I195 PolarHBondContact CD2-O 3.27Å; H173-I195 PolarHBondContact N-O 2.91Å; L193-I195 HydrophobicContact CD2-CG2 3.96Å; L193-I195 HydrophobicContact CG-CG2 3.98Å; I195-W256 HydrophobicContact CB-CH2 4.2Å; I195-W256 HydrophobicContact CD1-CH2 4.09Å; I195-W256 HydrophobicContact CD1-CZ3 4.16Å; I195-W256 HydrophobicContact CG1-CH2 4.11Å; I195-W256 HydrophobicContact CG1-CZ3 4.3Å; I195-F260 HydrophobicContact CB-CD1 4.25Å; I195-F260 HydrophobicContact CB-CE1 4.05Å; I195-F260 HydrophobicContact CD1-CD1 3.75Å; I195-F260 HydrophobicContact CD1-CE1 4.4Å; I195-F260 HydrophobicContact CG2-CD1 4.1Å; I195-F260 HydrophobicContact CG2-CE1 3.69Å; I195-V261 HydrophobicContact CD1-CG2 3.85Å
196	F	98.8	Very high	98.2	Very high	5 Å²	5	26.9 Å²	26.9	2%	0.022	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	121.5	-170.6	-63.8	-92.1	0	0	0	110.3	V115 L118 N119 H173 W176 Q194 P198 W256	V115-F196 HydrophobicContact CB-CB 4.18Å; V115-F196 HydrophobicContact CG1-CB 3.72Å; V115-F196 HydrophobicContact CG2-CB 3.76Å; V115-F196 HydrophobicContact CG2-CD1 4.38Å; V115-F196 HydrophobicContact CG2-CG 4.14Å; L118-F196 HydrophobicContact CB-CD2 4.05Å; L118-F196 HydrophobicContact CB-CE2 3.99Å; L118-F196 HydrophobicContact CD1-CD2 4.17Å; L118-F196 HydrophobicContact CD1-CE2 3.54Å; L118-F196 HydrophobicContact CD1-CZ 4.01Å; L118-F196 HydrophobicContact CG-CE2 4.41Å; N119-F196 PolarHBondContact ND2-O 3.27Å; N119-F196 PolarHBondContact OD1-N 3.24Å; H173-F196 HydrophobicContact CB-CD1 3.58Å; H173-F196 HydrophobicContact CB-CE1 3.81Å; H173-F196 HydrophobicContact CB-CG 4.41Å; H173-F196 AromaticContact CD2-CE1 3.66Å; H173-F196 AromaticContact CD2-CZ 3.89Å; H173-F196 AromaticContact CG-CE1 3.82Å; H173-F196 CarbonylContact O-C 3.6Å; H173-F196 WeakPolarHBondContact O-CA 3.39Å; W176-F196 HydrophobicContact CE3-CD1 4.02Å; W176-F196 AromaticContact CE3-CE1 3.41Å; W176-F196 HydrophobicContact CE3-CE1 3.41Å; W176-F196 VanDerWaalsContact CE3-CE1 3.41Å; W176-F196 AromaticContact CE3-CZ 3.83Å; W176-F196 HydrophobicContact CE3-CZ 3.83Å; W176-F196 HydrophobicContact CZ3-CD1 4.42Å; W176-F196 AromaticContact CZ3-CE1 3.61Å; W176-F196 HydrophobicContact CZ3-CE1 3.61Å; W176-F196 HydrophobicContact CZ3-CE2 4.2Å; W176-F196 AromaticContact CZ3-CZ 3.48Å; W176-F196 HydrophobicContact CZ3-CZ 3.48Å; W176-F196 VanDerWaalsContact CZ3-CZ 3.48Å; Q194-F196 HydrophobicContact CB-CE2 3.78Å; Q194-F196 HydrophobicContact CB-CZ 3.97Å; F196-P198 VanDerWaalsContact O-CD 3.24Å; F196-P198 WeakPolarHBondContact O-CD 3.41Å; F196-P198 VanDerWaalsContact O-N 3.11Å; F196-W256 VanDerWaalsContact O-CH2 3.26Å; F196-W256 WeakPolarHBondContact O-CH2 3.49Å; F196-W256 WeakPolarHBondContact O-CZ2 3.34Å
197	F	98.8	Very high	98.2	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.009	14%	0.137	C	C	.	.			trans	-60	113.1	175.4	174.1	-127.5	0	0	0	109.7	H173 D174 F199 Q249 H252 H253 W256 Y466	H173-F197 PolarHBondContact O-N 2.94Å; D174-F197 HydrophobicContact CB-CB 4.08Å; D174-F197 HydrophobicContact CB-CD1 3.91Å; D174-F197 HydrophobicContact CB-CG 4.47Å; F197-F199 HydrophobicContact CE1-CB 4.15Å; F197-F199 WeakPolarHBondContact CE1-O 3.35Å; F197-F199 HydrophobicContact CE2-CB 3.87Å; F197-F199 AromaticContact CE2-CD2 3.95Å; F197-F199 HydrophobicContact CE2-CD2 3.95Å; F197-F199 HydrophobicContact CE2-CG 4.42Å; F197-F199 HydrophobicContact CZ-CB 3.55Å; F197-F199 HydrophobicContact CZ-CD2 4.45Å; F197-F199 WeakPolarHBondContact CZ-O 3.23Å; F197-F199 PolarHBondContact O-N 3.46Å; F197-Q249 HydrophobicContact CE1-CG 4.34Å; F197-H252 HydrophobicContact CE1-CB 4.17Å; F197-H252 HydrophobicContact CE2-CB 4.41Å; F197-H252 HydrophobicContact CZ-CB 3.66Å; F197-H253 HydrophobicContact CD1-CB 4.07Å; F197-H253 HydrophobicContact CE1-CB 4.49Å; F197-H253 HydrophobicContact CG-CB 4.19Å; F197-W256 HydrophobicContact CB-CD2 4.42Å; F197-W256 HydrophobicContact CB-CE3 3.84Å; F197-W256 HydrophobicContact CB-CZ3 3.96Å; F197-W256 HydrophobicContact CD2-CB 3.75Å; F197-W256 AromaticContact CD2-CD2 3.62Å; F197-W256 HydrophobicContact CD2-CD2 3.62Å; F197-W256 AromaticContact CD2-CE3 3.78Å; F197-W256 HydrophobicContact CD2-CE3 3.78Å; F197-W256 AromaticContact CD2-CG 3.57Å; F197-W256 HydrophobicContact CD2-CG 3.57Å; F197-W256 HydrophobicContact CE2-CB 3.79Å; F197-W256 HydrophobicContact CE2-CD2 4.46Å; F197-W256 AromaticContact CE2-CG 3.94Å; F197-W256 HydrophobicContact CE2-CG 3.94Å; F197-W256 HydrophobicContact CG-CD2 4.5Å; F197-W256 HydrophobicContact CG-CE3 4.26Å; F197-Y466 HydrophobicContact CE2-CE1 4.18Å; F197-Y466 AromaticContact CE2-CZ 3.9Å; F197-Y466 WeakPolarHBondContact CZ-OH 3.34Å
198	P	98.4	Very high	98.2	Very high	32 Å²	32	29.8 Å²	29.8	21%	0.208	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-0.7	-166.8	32.4	-35.1	0	0	0	113.1	V115 F196 L203 Y204 W256	V115-P198 HydrophobicContact CG1-CB 4.06Å; F196-P198 VanDerWaalsContact O-CD 3.24Å; F196-P198 WeakPolarHBondContact O-CD 3.41Å; F196-P198 VanDerWaalsContact O-N 3.11Å; P198-L203 WeakPolarHBondContact O-CD1 3.18Å; P198-Y204 VanDerWaalsContact O-CE2 3.28Å; P198-Y204 WeakPolarHBondContact O-CE2 3.39Å; P198-W256 HydrophobicContact CG-CZ2 4.41Å
199	F	98.6	Very high	98.2	Very high	44 Å²	44	26.7 Å²	26.7	19%	0.193	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.3	35.3	-179.6	-51.2	-75.6	0	0	0	111.8	F197 Y204 P209 L462 Y466 L469	F197-F199 HydrophobicContact CE1-CB 4.15Å; F197-F199 WeakPolarHBondContact CE1-O 3.35Å; F197-F199 HydrophobicContact CE2-CB 3.87Å; F197-F199 AromaticContact CE2-CD2 3.95Å; F197-F199 HydrophobicContact CE2-CD2 3.95Å; F197-F199 HydrophobicContact CE2-CG 4.42Å; F197-F199 HydrophobicContact CZ-CB 3.55Å; F197-F199 HydrophobicContact CZ-CD2 4.45Å; F197-F199 WeakPolarHBondContact CZ-O 3.23Å; F197-F199 PolarHBondContact O-N 3.46Å; F199-Y204 HydrophobicContact CD1-CE2 4.28Å; F199-P209 HydrophobicContact CB-CG 4.03Å; F199-P209 WeakPolarHBondContact O-CG 3.06Å; F199-L462 HydrophobicContact CB-CD1 4.48Å; F199-L462 HydrophobicContact CB-CD2 4.16Å; F199-L462 HydrophobicContact CD1-CD1 4.11Å; F199-L462 HydrophobicContact CD2-CD1 4.18Å; F199-L462 HydrophobicContact CE1-CD1 4.37Å; F199-L462 HydrophobicContact CE2-CD1 4.43Å; F199-L462 HydrophobicContact CG-CD1 4.01Å; F199-Y466 HydrophobicContact CD2-CD1 4.25Å; F199-Y466 AromaticContact CD2-CE1 3.57Å; F199-Y466 HydrophobicContact CD2-CE1 3.57Å; F199-Y466 HydrophobicContact CE2-CD1 4.11Å; F199-Y466 AromaticContact CE2-CE1 3.86Å; F199-Y466 HydrophobicContact CE2-CE1 3.86Å; F199-L469 HydrophobicContact CE2-CD1 4.25Å; F199-L469 HydrophobicContact CZ-CD1 3.8Å
200	S	98.6	Very high	98.2	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.014	13%	0.127	C	C	.	.			trans	-75.7	160.3	177.3	79.2	0	0	0	0	112.5	D174 Q202 L203 Y204	D174-S200 WeakPolarHBondContact O-CB 3.46Å; D174-S200 PolarHBondContact O-OG 3.28Å; S200-Q202 PolarHBondContact O-N 2.88Å; S200-Q202 PolarHBondContact OG-N 3.41Å; S200-L203 PolarHBondContact O-N 3.21Å; S200-Y204 PolarHBondContact O-N 3.35Å; S200-Y204 VanDerWaalsContact O-N 3.11Å
201	I	98.3	Very high	98.2	Very high	37 Å²	37	30.1 Å²	30.1	19%	0.19	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-32.1	176.6	-59.9	163.3	0	0	0	110.9	L203 Y204 P205 A245 K246 Q249	I201-L203 PolarHBondContact O-N 3.22Å; I201-Y204 CarbonylContact O-C 3.36Å; I201-Y204 VanDerWaalsContact O-C 3.25Å; I201-Y204 PolarHBondContact O-N 2.95Å; I201-P205 VanDerWaalsContact O-CA 3.24Å; I201-P205 WeakPolarHBondContact O-CA 3.38Å; I201-P205 VanDerWaalsContact O-N 3.11Å; I201-A245 VanDerWaalsContact CD1-C 3.46Å; I201-A245 HydrophobicContact CD1-CB 3.89Å; I201-A245 HydrophobicContact CG1-CB 4.06Å; I201-K246 VanDerWaalsContact CD1-CA 3.49Å; I201-K246 HydrophobicContact CD1-CB 4.27Å; I201-Q249 HydrophobicContact CD1-CB 4.03Å; I201-Q249 HydrophobicContact CG1-CB 4.49Å; I201-Q249 VanDerWaalsContact CG1-OE1 3.24Å
202	Q	97.8	Very high	98.1	Very high	36 Å²	36	30.5 Å²	30.5	17%	0.168	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-35.2	176	-171.9	-172.7	43.4	0	0	111.7	Y111 Y175 W176 S200	Y111-Q202 HydrophobicContact CD2-CG 4.47Å; Y175-Q202 HydrophobicContact CD2-CB 4.09Å; Y175-Q202 HydrophobicContact CD2-CG 4.26Å; Y175-Q202 HydrophobicContact CE2-CB 4.33Å; Y175-Q202 HydrophobicContact CE2-CG 4.15Å; W176-Q202 PolarHBondContact O-NE2 2.83Å; S200-Q202 PolarHBondContact O-N 2.88Å; S200-Q202 PolarHBondContact OG-N 3.41Å
203	L	98	Very high	98.1	Very high	3 Å²	3	35 Å²	35	2%	0.016	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-21.1	-180	-61.5	179	0	0	0	112.6	T108 R112 V115 P198 S200 I201	T108-L203 WeakPolarHBondContact CG2-O 3.48Å; R112-L203 HydrophobicContact CG-CB 4.32Å; R112-L203 HydrophobicContact CG-CD2 4.17Å; R112-L203 VanDerWaalsContact CZ-O 3.22Å; R112-L203 PolarHBondContact NE-O 3.13Å; R112-L203 PolarHBondContact NH2-O 2.97Å; V115-L203 HydrophobicContact CB-CD1 4.32Å; V115-L203 HydrophobicContact CG1-CD1 4.09Å; V115-L203 HydrophobicContact CG2-CD1 4.14Å; V115-L203 HydrophobicContact CG2-CD2 4.31Å; P198-L203 WeakPolarHBondContact O-CD1 3.18Å; S200-L203 PolarHBondContact O-N 3.21Å; I201-L203 PolarHBondContact O-N 3.22Å
204	Y	97.9	Very high	98	Very high	50 Å²	50	41 Å²	41	20%	0.196	20%	0.204	C	C	.	.	S	Bend	trans	-135.1	62.6	-178	-63.7	-93.3	0	0	0	110.9	P198 F199 S200 I201 Q206 E207 G210	P198-Y204 VanDerWaalsContact O-CE2 3.28Å; P198-Y204 WeakPolarHBondContact O-CE2 3.39Å; F199-Y204 HydrophobicContact CD1-CE2 4.28Å; S200-Y204 PolarHBondContact O-N 3.35Å; S200-Y204 VanDerWaalsContact O-N 3.11Å; I201-Y204 CarbonylContact O-C 3.36Å; I201-Y204 VanDerWaalsContact O-C 3.25Å; I201-Y204 PolarHBondContact O-N 2.95Å; Y204-Q206 PolarHBondContact O-N 3.45Å; Y204-E207 HydrophobicContact CD1-CG 3.79Å; Y204-E207 HydrophobicContact CG-CG 4.43Å; Y204-G210 WeakPolarHBondContact O-CA 3.45Å; Y204-G210 PolarHBondContact O-N 3.07Å; Y204-G210 VanDerWaalsContact O-N 3.15Å
205	P	97	Very high	98	Very high	55 Å²	55	40.5 Å²	40.5	36%	0.357	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-32.8	-168.8	25.2	-34.4	0	0	0	114.1	I201 N211	I201-P205 VanDerWaalsContact O-CA 3.24Å; I201-P205 WeakPolarHBondContact O-CA 3.38Å; I201-P205 VanDerWaalsContact O-N 3.11Å; P205-N211 PolarHBondContact O-N 2.76Å
206	Q	96.6	Very high	98	Very high	104 Å²	104	40.8 Å²	40.8	49%	0.486	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118	15.1	-171.3	-60.2	-173.9	14.2	0	0	113.8	P102 Y204 N211 P213	P102-Q206 HydrophobicContact CB-CB 4.22Å; P102-Q206 VanDerWaalsContact CB-OE1 3.25Å; P102-Q206 HydrophobicContact CG-CB 4.47Å; Y204-Q206 PolarHBondContact O-N 3.45Å; Q206-N211 CarbonylContact C-O 3.56Å; Q206-N211 WeakPolarHBondContact CA-O 3.39Å; Q206-P213 WeakPolarHBondContact O-CD 3.48Å
207	E	97.4	Very high	98	Very high	70 Å²	70	44 Å²	44	33%	0.327	23%	0.226	S	C	.	.	S	Bend	trans	-147.4	158.8	177.2	62	-177.3	140.1	0	0	108.1	R112 Y204 G210	R112-E207 IonicContact CZ-OE1 2.79Å; R112-E207 IonicContact NH1-OE1 3.21Å; R112-E207 IonicContact NH2-OE1 2.92Å; R112-E207 PolarHBondContact NH2-OE1 3.48Å; Y204-E207 HydrophobicContact CD1-CG 3.79Å; Y204-E207 HydrophobicContact CG-CG 4.43Å; E207-G210 CarbonylContact O-C 3.25Å; E207-G210 VanDerWaalsContact O-CA 3.31Å; E207-G210 WeakPolarHBondContact O-CA 3.42Å; E207-G210 PolarHBondContact O-N 3.25Å
208	F	98.5	Very high	98	Very high	48 Å²	48	47.5 Å²	47.5	21%	0.211	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	133.6	175.6	175.8	-87.4	0	0	0	110.5	R458 D459 L462	F208-R458 HydrophobicContact CD1-CB 4.29Å; F208-R458 HydrophobicContact CD2-CB 3.64Å; F208-R458 HydrophobicContact CE1-CB 4.04Å; F208-R458 HydrophobicContact CE2-CB 3.35Å; F208-R458 HydrophobicContact CG-CB 4.12Å; F208-R458 HydrophobicContact CZ-CB 3.6Å; F208-R458 WeakPolarHBondContact CZ-O 3.35Å; F208-D459 WeakPolarHBondContact CE2-OD1 3.49Å; F208-L462 HydrophobicContact CE1-CB 3.79Å; F208-L462 HydrophobicContact CE1-CD2 3.69Å; F208-L462 HydrophobicContact CE1-CG 4.24Å; F208-L462 HydrophobicContact CZ-CB 3.81Å; F208-L462 HydrophobicContact CZ-CD2 3.78Å; F208-L462 HydrophobicContact CZ-CG 4.42Å
209	P	98.4	Very high	98	Very high	6 Å²	6	51.2 Å²	51.2	4%	0.039	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	cis	-91.2	9	11	36.5	-39	0	0	0	117	F199 R243 A245 L462	F199-P209 HydrophobicContact CB-CG 4.03Å; F199-P209 WeakPolarHBondContact O-CG 3.06Å; P209-R243 VanDerWaalsContact O-CZ 3.3Å; P209-R243 PolarHBondContact O-NH1 2.79Å; P209-R243 VanDerWaalsContact O-NH1 3.09Å; P209-R243 PolarHBondContact O-NH2 2.64Å; P209-A245 WeakPolarHBondContact O-CB 3.38Å; P209-L462 HydrophobicContact CB-CD2 3.73Å; P209-L462 HydrophobicContact CG-CD2 3.87Å
210	G	97.8	Very high	98	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.256	C	S	.	.	S	Bend	trans	-75.8	-143.8	163.1	0	0	0	0	0	112.3	Y204 E207 R243	Y204-G210 WeakPolarHBondContact O-CA 3.45Å; Y204-G210 PolarHBondContact O-N 3.07Å; Y204-G210 VanDerWaalsContact O-N 3.15Å; E207-G210 CarbonylContact O-C 3.25Å; E207-G210 VanDerWaalsContact O-CA 3.31Å; E207-G210 WeakPolarHBondContact O-CA 3.42Å; E207-G210 PolarHBondContact O-N 3.25Å; G210-R243 PolarHBondContact O-NH1 2.83Å
211	N	96.9	Very high	98	Very high	88 Å²	88	54.3 Å²	54.3	47%	0.471	28%	0.279	S	S	.	.			trans	-102.6	102.8	-176	-54.9	-69.6	0	0	0	109.2	P205 Q206 A245	P205-N211 PolarHBondContact O-N 2.76Å; Q206-N211 CarbonylContact C-O 3.56Å; Q206-N211 WeakPolarHBondContact CA-O 3.39Å; N211-A245 WeakPolarHBondContact OD1-CB 3.35Å
212	D	97.9	Very high	98	Very high	19 Å²	19	57.1 Å²	57.1	10%	0.102	29%	0.29	C	S	.	.			trans	-72.4	132.4	171.9	-170.8	-55.8	0	0	0	108.1	R214 D215 I231	D212-R214 PolarHBondContact O-N 2.88Å; D212-R214 WeakPolarHBondContact OD1-CB 3.27Å; D212-R214 WeakPolarHBondContact OD1-CG 3.5Å; D212-R214 IonicContact OD1-CZ 2.9Å; D212-R214 PolarHBondContact OD1-N 3.04Å; D212-R214 IonicContact OD1-NE 3.78Å; D212-R214 PolarHBondContact OD1-NE 3.49Å; D212-R214 IonicContact OD1-NH2 3.84Å; D212-R214 IonicContact OD2-CZ 2.7Å; D212-R214 IonicContact OD2-NE 3.58Å; D212-R214 IonicContact OD2-NH2 3.89Å; D212-R214 PolarHBondContact OD2-NH2 3.39Å; D212-D215 PolarHBondContact N-OD2 2.96Å; D212-D215 VanDerWaalsContact N-OD2 3.16Å; D212-D215 VanDerWaalsContact O-CB 3.3Å; D212-D215 WeakPolarHBondContact O-CB 3.23Å; D212-D215 PolarHBondContact O-N 2.91Å; D212-I231 HydrophobicContact CB-CD1 4.04Å
213	P	97.4	Very high	98	Very high	95 Å²	95	62.6 Å²	62.6	62%	0.617	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-16.4	178	-27	34.6	0	0	0	114.9	Q206	Q206-P213 WeakPolarHBondContact O-CD 3.48Å
214	R	98.3	Very high	98	Very high	129 Å²	129	65.5 Å²	65.5	49%	0.487	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	0.7	178.9	-53.1	167	-68.9	174.2	1.9	113.4	M99 D212 C230 I231	M99-R214 HydrophobicContact CE-CG 3.82Å; D212-R214 PolarHBondContact O-N 2.88Å; D212-R214 WeakPolarHBondContact OD1-CB 3.27Å; D212-R214 WeakPolarHBondContact OD1-CG 3.5Å; D212-R214 IonicContact OD1-CZ 2.9Å; D212-R214 PolarHBondContact OD1-N 3.04Å; D212-R214 IonicContact OD1-NE 3.78Å; D212-R214 PolarHBondContact OD1-NE 3.49Å; D212-R214 IonicContact OD1-NH2 3.84Å; D212-R214 IonicContact OD2-CZ 2.7Å; D212-R214 IonicContact OD2-NE 3.58Å; D212-R214 IonicContact OD2-NH2 3.89Å; D212-R214 PolarHBondContact OD2-NH2 3.39Å; R214-C230 CarbonylContact O-C 3.51Å; R214-C230 WeakPolarHBondContact O-CA 3.29Å; R214-C230 VanDerWaalsContact O-CB 3.26Å; R214-C230 WeakPolarHBondContact O-CB 3.45Å; R214-I231 HydrophobicContact CB-CD1 4.25Å; R214-I231 HydrophobicContact CB-CG1 4.36Å; R214-I231 HydrophobicContact CB-CG2 3.71Å; R214-I231 PolarHBondContact O-N 2.98Å
215	D	98.6	Very high	98.1	Very high	26 Å²	26	63.1 Å²	63.1	14%	0.139	32%	0.319	C	S	.	.	S	Bend	trans	-61.8	144.8	173.3	-75.2	-22.2	0	0	0	110.6	D212 I231 R458	D212-D215 PolarHBondContact N-OD2 2.96Å; D212-D215 VanDerWaalsContact N-OD2 3.16Å; D212-D215 VanDerWaalsContact O-CB 3.3Å; D212-D215 WeakPolarHBondContact O-CB 3.23Å; D212-D215 PolarHBondContact O-N 2.91Å; D215-I231 WeakPolarHBondContact OD1-CD1 3.34Å; D215-I231 WeakPolarHBondContact OD1-CG1 3.5Å; D215-R458 IonicContact OD1-CZ 3.8Å; D215-R458 IonicContact OD1-NH1 3.76Å; D215-R458 PolarHBondContact OD1-NH1 2.83Å; D215-R458 IonicContact OD1-NH2 3.02Å; D215-R458 PolarHBondContact OD1-NH2 3.37Å; D215-R458 IonicContact OD2-NH2 2.98Å
216	C	98.7	Very high	98.1	Very high	5 Å²	5	64.6 Å²	64.6	3%	0.034	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-66.7	136.8	174.1	-61.2	0	0	0	0	110.3	R218 I220 C230 N232 A233 Y242	C216-R218 PolarHBondContact O-N 3.27Å; C216-I220 HydrophobicContact CB-CG2 4.2Å; C216-C230 WeakPolarHBondContact CA-SG 3.23Å; C216-C230 HydrophobicContact CB-CB 3.91Å; C216-C230 WeakPolarHBondContact CB-SG 3.34Å; C216-C230 WeakPolarHBondContact SG-CB 3.09Å; C216-C230 CovalentContact SG-SG 2.03Å; C216-C230 PolarHBondContact SG-SG 3.04Å; C216-N232 VanDerWaalsContact CB-OD1 3.31Å; C216-N232 WeakPolarHBondContact CB-OD1 3.42Å; C216-N232 PolarHBondContact N-OD1 3.29Å; C216-N232 PolarHBondContact SG-OD1 3.04Å; C216-A233 WeakPolarHBondContact SG-CA 3.45Å; C216-A233 PolarHBondContact SG-N 3.22Å; C216-Y242 HydrophobicContact CB-CD1 3.68Å; C216-Y242 HydrophobicContact CB-CD2 3.62Å; C216-Y242 HydrophobicContact CB-CE1 4.05Å; C216-Y242 HydrophobicContact CB-CE2 3.98Å; C216-Y242 HydrophobicContact CB-CG 3.45Å; C216-Y242 VanDerWaalsContact CB-CG 3.45Å
217	P	98.4	Very high	98.2	Very high	73 Å²	73	66.4 Å²	66.4	47%	0.474	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-54.6	137.8	169.5	-24.5	32.7	0	0	0	110.8	D219 I220 Y242	P217-D219 VanDerWaalsContact C-N 3.28Å; P217-D219 PolarHBondContact O-N 3.24Å; P217-D219 VanDerWaalsContact O-N 3.08Å; P217-I220 HydrophobicContact CB-CB 4.28Å; P217-I220 HydrophobicContact CB-CG2 4.46Å; P217-I220 WeakPolarHBondContact O-CG2 3.4Å; P217-I220 PolarHBondContact O-N 3.14Å; P217-Y242 WeakPolarHBondContact O-CD2 3.37Å
218	R	98.2	Very high	98.2	Very high	75 Å²	75	68.3 Å²	68.3	28%	0.283	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.4	-50.1	-173.6	-173.3	-152.2	164.1	67.4	15.7	113.7	C216 H241 Y242 E244	C216-R218 PolarHBondContact O-N 3.27Å; R218-H241 HydrophobicContact CG-CB 4.25Å; R218-H241 CarbonylContact O-C 3.46Å; R218-H241 VanDerWaalsContact O-CA 3.3Å; R218-H241 WeakPolarHBondContact O-CA 3.44Å; R218-Y242 WeakPolarHBondContact CG-O 3.47Å; R218-Y242 PolarHBondContact O-N 3.05Å; R218-E244 HydrophobicContact CB-CG 4.27Å; R218-E244 WeakPolarHBondContact CD-OE2 3.15Å; R218-E244 HydrophobicContact CG-CG 4.21Å; R218-E244 IonicContact CZ-OE2 2.83Å; R218-E244 IonicContact NE-OE2 2.65Å; R218-E244 IonicContact NH1-OE2 3.14Å; R218-E244 PolarHBondContact NH1-OE2 2.77Å
219	D	98.4	Very high	98.2	Very high	110 Å²	110	68.8 Å²	68.8	59%	0.588	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	11.2	-168.7	-53.9	-43.8	0	0	0	113.7	P217 H241	P217-D219 VanDerWaalsContact C-N 3.28Å; P217-D219 PolarHBondContact O-N 3.24Å; P217-D219 VanDerWaalsContact O-N 3.08Å; D219-H241 IonicContact OD1-CD2 3.75Å; D219-H241 PolarHBondContact OD1-CD2 2.84Å; D219-H241 IonicContact OD1-NE2 3.77Å
220	I	98.4	Very high	98.2	Very high	35 Å²	35	69 Å²	69	18%	0.179	36%	0.362	C	S	.	.			trans	-66.7	134.5	176.3	-166.8	175.2	0	0	0	109.9	C216 P217 D224 A225 L228 Y242	C216-I220 HydrophobicContact CB-CG2 4.2Å; P217-I220 HydrophobicContact CB-CB 4.28Å; P217-I220 HydrophobicContact CB-CG2 4.46Å; P217-I220 WeakPolarHBondContact O-CG2 3.4Å; P217-I220 PolarHBondContact O-N 3.14Å; I220-D224 HydrophobicContact CD1-CB 4.12Å; I220-D224 HydrophobicContact CG1-CB 4.02Å; I220-A225 HydrophobicContact CG2-CB 3.89Å; I220-L228 HydrophobicContact CD1-CD2 3.99Å; I220-Y242 HydrophobicContact CG2-CD2 3.74Å; I220-Y242 HydrophobicContact CG2-CE2 3.49Å; I220-Y242 VanDerWaalsContact CG2-CE2 3.49Å; I220-Y242 WeakPolarHBondContact O-CE2 3.38Å
221	P	98.4	Very high	98.3	Very high	77 Å²	77	72.4 Å²	72.4	50%	0.5	38%	0.38	S	S	.	.			trans	-60.9	142.2	175.1	-25	34.8	0	0	0	112	K223 D224 A225	P221-K223 VanDerWaalsContact C-N 3.25Å; P221-K223 PolarHBondContact O-N 3.11Å; P221-K223 VanDerWaalsContact O-N 3.12Å; P221-D224 PolarHBondContact O-N 3.27Å; P221-A225 PolarHBondContact O-N 3.19Å
222	K	98.4	Very high	98.3	Very high	95 Å²	95	68.3 Å²	68.3	41%	0.413	36%	0.357	S	S	.	.	H	α-helix	trans	-50.6	-42	-179.1	-174.6	172.5	-171.6	163.2	0	114.1	D224 A225 L226 E234 P236 Y242	K222-D224 PolarHBondContact O-N 3.04Å; K222-A225 WeakPolarHBondContact O-CB 3.28Å; K222-A225 PolarHBondContact O-N 3.15Å; K222-L226 HydrophobicContact CG-CD1 4.1Å; K222-L226 HydrophobicContact CG-CG 4.38Å; K222-L226 VanDerWaalsContact O-CG 3.28Å; K222-L226 WeakPolarHBondContact O-CG 3.32Å; K222-L226 PolarHBondContact O-N 2.98Å; K222-E234 PolarHBondContact NZ-O 3.14Å; K222-P236 HydrophobicContact CD-CG 4.11Å; K222-Y242 WeakPolarHBondContact CA-OH 3.33Å
223	K	98.4	Very high	98.4	Very high	152 Å²	152	67.7 Å²	67.7	66%	0.661	36%	0.355	S	S	*	.	H	α-helix	trans	-57.7	-38.4	177.3	-176.8	-179.9	-179.8	-178.5	0	112.3	P221 K227	P221-K223 VanDerWaalsContact C-N 3.25Å; P221-K223 PolarHBondContact O-N 3.11Å; P221-K223 VanDerWaalsContact O-N 3.12Å; K223-K227 WeakPolarHBondContact O-CG 3.45Å; K223-K227 PolarHBondContact O-N 3.34Å
224	D	98.6	Very high	98.4	Very high	63 Å²	63	69.1 Å²	69.1	34%	0.337	35%	0.354	S	S	.	.	H	α-helix	trans	-85.8	-31.2	-177.8	-60.4	-33.9	0	0	0	111.7	I220 P221 K222 L226 K227 L228	I220-D224 HydrophobicContact CD1-CB 4.12Å; I220-D224 HydrophobicContact CG1-CB 4.02Å; P221-D224 PolarHBondContact O-N 3.27Å; K222-D224 PolarHBondContact O-N 3.04Å; D224-L226 VanDerWaalsContact C-N 3.34Å; D224-L226 PolarHBondContact O-N 2.98Å; D224-K227 PolarHBondContact O-N 3.38Å; D224-K227 IonicContact OD1-NZ 3.84Å; D224-K227 PolarHBondContact OD1-NZ 3.37Å; D224-L228 VanDerWaalsContact O-CB 3.31Å; D224-L228 WeakPolarHBondContact O-CB 3.11Å; D224-L228 PolarHBondContact O-N 3.36Å
225	A	98.6	Very high	98.5	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-56.7	-46.1	167.6	0	0	0	0	0	112.3	I220 P221 K222 K227 L228 G229 C230 A233 Y242	I220-A225 HydrophobicContact CG2-CB 3.89Å; P221-A225 PolarHBondContact O-N 3.19Å; K222-A225 WeakPolarHBondContact O-CB 3.28Å; K222-A225 PolarHBondContact O-N 3.15Å; A225-K227 VanDerWaalsContact C-N 3.32Å; A225-K227 PolarHBondContact O-N 3.23Å; A225-L228 WeakPolarHBondContact O-CB 3.31Å; A225-L228 PolarHBondContact O-N 2.96Å; A225-G229 PolarHBondContact O-N 2.95Å; A225-C230 PolarHBondContact O-SG 2.87Å; A225-A233 HydrophobicContact CB-CB 3.75Å; A225-Y242 HydrophobicContact CB-CE2 3.84Å; A225-Y242 WeakPolarHBondContact CB-OH 3.4Å
226	L	98.5	Very high	98.5	Very high	87 Å²	87	67.2 Å²	67.2	46%	0.455	35%	0.348	S	S	.	.	H	α-helix	trans	-63.8	-36.9	178.9	-70.5	169.2	0	0	0	112	K222 D224 G229 A233 E234	K222-L226 HydrophobicContact CG-CD1 4.1Å; K222-L226 HydrophobicContact CG-CG 4.38Å; K222-L226 VanDerWaalsContact O-CG 3.28Å; K222-L226 WeakPolarHBondContact O-CG 3.32Å; K222-L226 PolarHBondContact O-N 2.98Å; D224-L226 VanDerWaalsContact C-N 3.34Å; D224-L226 PolarHBondContact O-N 2.98Å; L226-G229 PolarHBondContact O-N 3.39Å; L226-A233 HydrophobicContact CD2-CB 3.98Å; L226-A233 HydrophobicContact CG-CB 4.4Å; L226-E234 HydrophobicContact CD2-CG 3.81Å
227	K	98.4	Very high	98.4	Very high	142 Å²	142	67.6 Å²	67.6	62%	0.617	35%	0.35	S	S	*	.	H	α-helix	trans	-70.3	-39.5	173.4	-67.7	171.2	-167.6	158.7	0	112.2	K223 D224 A225 G229	K223-K227 WeakPolarHBondContact O-CG 3.45Å; K223-K227 PolarHBondContact O-N 3.34Å; D224-K227 PolarHBondContact O-N 3.38Å; D224-K227 IonicContact OD1-NZ 3.84Å; D224-K227 PolarHBondContact OD1-NZ 3.37Å; A225-K227 VanDerWaalsContact C-N 3.32Å; A225-K227 PolarHBondContact O-N 3.23Å; K227-G229 PolarHBondContact O-N 3.35Å
228	L	97.9	Very high	98.4	Very high	109 Å²	109	67.3 Å²	67.3	57%	0.571	35%	0.35	S	S	*	.	H	α-helix	trans	-64.1	-28.9	176.7	-179.4	61.7	0	0	0	111.2	I220 D224 A225 C230	I220-L228 HydrophobicContact CD1-CD2 3.99Å; D224-L228 VanDerWaalsContact O-CB 3.31Å; D224-L228 WeakPolarHBondContact O-CB 3.11Å; D224-L228 PolarHBondContact O-N 3.36Å; A225-L228 WeakPolarHBondContact O-CB 3.31Å; A225-L228 PolarHBondContact O-N 2.96Å; L228-C230 VanDerWaalsContact C-N 3.29Å; L228-C230 HydrophobicContact CD2-CB 4.16Å; L228-C230 HydrophobicContact CG-CB 4.33Å
229	G	98.1	Very high	98.4	Very high	58 Å²	58	69.1 Å²	69.1	60%	0.598	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	25.9	-179	0	0	0	0	0	113	A225 L226 K227	A225-G229 PolarHBondContact O-N 2.95Å; L226-G229 PolarHBondContact O-N 3.39Å; K227-G229 PolarHBondContact O-N 3.35Å
230	C	98.5	Very high	98.4	Very high	12 Å²	12	65.5 Å²	65.5	8%	0.081	35%	0.349	C	S	.	.			trans	-67.2	148.5	173.6	51.2	0	0	0	0	110.8	R214 C216 A225 L228 N232 A233	R214-C230 CarbonylContact O-C 3.51Å; R214-C230 WeakPolarHBondContact O-CA 3.29Å; R214-C230 VanDerWaalsContact O-CB 3.26Å; R214-C230 WeakPolarHBondContact O-CB 3.45Å; C216-C230 WeakPolarHBondContact CA-SG 3.23Å; C216-C230 HydrophobicContact CB-CB 3.91Å; C216-C230 WeakPolarHBondContact CB-SG 3.34Å; C216-C230 WeakPolarHBondContact SG-CB 3.09Å; C216-C230 CovalentContact SG-SG 2.03Å; C216-C230 PolarHBondContact SG-SG 3.04Å; A225-C230 PolarHBondContact O-SG 2.87Å; L228-C230 VanDerWaalsContact C-N 3.29Å; L228-C230 HydrophobicContact CD2-CB 4.16Å; L228-C230 HydrophobicContact CG-CB 4.33Å; C230-N232 VanDerWaalsContact C-N 3.28Å; C230-N232 PolarHBondContact O-N 3.43Å; C230-N232 VanDerWaalsContact O-N 3.13Å; C230-A233 VanDerWaalsContact O-CB 3.28Å; C230-A233 WeakPolarHBondContact O-CB 3.44Å; C230-A233 PolarHBondContact O-N 3.3Å; C230-A233 VanDerWaalsContact O-N 3.13Å
231	I	98.5	Very high	98.4	Very high	71 Å²	71	66.7 Å²	66.7	36%	0.364	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-21.2	-157.3	59.8	-178.8	0	0	0	115.1	D212 R214 D215	D212-I231 HydrophobicContact CB-CD1 4.04Å; R214-I231 HydrophobicContact CB-CD1 4.25Å; R214-I231 HydrophobicContact CB-CG1 4.36Å; R214-I231 HydrophobicContact CB-CG2 3.71Å; R214-I231 PolarHBondContact O-N 2.98Å; D215-I231 WeakPolarHBondContact OD1-CD1 3.34Å; D215-I231 WeakPolarHBondContact OD1-CG1 3.5Å
232	N	98.5	Very high	98.4	Very high	1 Å²	1	63.2 Å²	63.2	1%	0.005	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	18	179	60	-21.4	0	0	0	113.3	C216 C230 E234 Y235 Y242 D456 R458	C216-N232 VanDerWaalsContact CB-OD1 3.31Å; C216-N232 WeakPolarHBondContact CB-OD1 3.42Å; C216-N232 PolarHBondContact N-OD1 3.29Å; C216-N232 PolarHBondContact SG-OD1 3.04Å; C230-N232 VanDerWaalsContact C-N 3.28Å; C230-N232 PolarHBondContact O-N 3.43Å; C230-N232 VanDerWaalsContact O-N 3.13Å; N232-E234 PolarHBondContact O-N 2.92Å; N232-E234 VanDerWaalsContact O-N 3.09Å; N232-Y235 PolarHBondContact O-N 3.29Å; N232-Y242 WeakPolarHBondContact O-CD1 3.45Å; N232-Y242 WeakPolarHBondContact O-CE1 3.34Å; N232-D456 WeakPolarHBondContact CB-OD2 3.43Å; N232-D456 PolarHBondContact ND2-OD2 3.48Å; N232-R458 PolarHBondContact ND2-NH2 3.08Å
233	A	98.6	Very high	98.4	Very high	7 Å²	7	59.5 Å²	59.5	6%	0.058	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-28.3	-175.9	0	0	0	0	0	114.9	C216 A225 L226 C230 Y235 Y242	C216-A233 WeakPolarHBondContact SG-CA 3.45Å; C216-A233 PolarHBondContact SG-N 3.22Å; A225-A233 HydrophobicContact CB-CB 3.75Å; L226-A233 HydrophobicContact CD2-CB 3.98Å; L226-A233 HydrophobicContact CG-CB 4.4Å; C230-A233 VanDerWaalsContact O-CB 3.28Å; C230-A233 WeakPolarHBondContact O-CB 3.44Å; C230-A233 PolarHBondContact O-N 3.3Å; C230-A233 VanDerWaalsContact O-N 3.13Å; A233-Y235 VanDerWaalsContact C-N 3.33Å; A233-Y242 PolarHBondContact O-OH 2.81Å
234	E	98.7	Very high	98.4	Very high	124 Å²	124	54.4 Å²	54.4	58%	0.579	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-16.7	178.7	-70.3	-171.9	-169.9	0	0	113.7	K222 L226 N232 P236	K222-E234 PolarHBondContact NZ-O 3.14Å; L226-E234 HydrophobicContact CD2-CG 3.81Å; N232-E234 PolarHBondContact O-N 2.92Å; N232-E234 VanDerWaalsContact O-N 3.09Å; E234-P236 VanDerWaalsContact O-CD 3.25Å; E234-P236 WeakPolarHBondContact O-CD 3.41Å
235	Y	98.6	Very high	98.4	Very high	91 Å²	91	51.4 Å²	51.4	36%	0.357	28%	0.276	S	S	.	.			trans	-122	54.5	-165.8	-52.7	-76.6	0	0	0	113.8	N232 A233 G455 I457	N232-Y235 PolarHBondContact O-N 3.29Å; A233-Y235 VanDerWaalsContact C-N 3.33Å; Y235-G455 CarbonylContact O-C 3.58Å; Y235-I457 HydrophobicContact CD1-CB 4.36Å; Y235-I457 HydrophobicContact CD1-CD1 4.49Å; Y235-I457 HydrophobicContact CD1-CG1 4.19Å; Y235-I457 HydrophobicContact CD1-CG2 3.34Å; Y235-I457 HydrophobicContact CD2-CD1 4.08Å; Y235-I457 HydrophobicContact CD2-CG1 3.88Å; Y235-I457 HydrophobicContact CE1-CB 4.48Å; Y235-I457 HydrophobicContact CE1-CD1 4.03Å; Y235-I457 HydrophobicContact CE1-CG1 4.22Å; Y235-I457 HydrophobicContact CE1-CG2 3.5Å; Y235-I457 VanDerWaalsContact CE1-CG2 3.5Å; Y235-I457 HydrophobicContact CE2-CD1 3.59Å; Y235-I457 HydrophobicContact CE2-CG1 3.94Å; Y235-I457 HydrophobicContact CG-CG1 4.02Å; Y235-I457 HydrophobicContact CG-CG2 3.92Å
236	P	98.6	Very high	98.3	Very high	24 Å²	24	56.8 Å²	56.8	16%	0.156	30%	0.3	C	S	.	.			trans	-69.9	164.1	166.7	33.5	-34.7	0	0	0	110.8	K222 E234 H241 Y242	K222-P236 HydrophobicContact CD-CG 4.11Å; E234-P236 VanDerWaalsContact O-CD 3.25Å; E234-P236 WeakPolarHBondContact O-CD 3.41Å; P236-H241 CarbonylContact C-O 3.48Å; P236-H241 WeakPolarHBondContact CA-O 3.47Å; P236-Y242 HydrophobicContact CB-CD1 4.26Å; P236-Y242 HydrophobicContact CB-CE1 3.89Å; P236-Y242 HydrophobicContact CG-CE1 4.43Å
237	D	98.5	Very high	98.2	Very high	13 Å²	13	55.2 Å²	55.2	7%	0.07	29%	0.289	C	S	.	.			trans	-67.7	176.2	169.3	75.7	10.7	0	0	0	112.6	F239 G240 H241 D361 G453	D237-F239 PolarHBondContact O-N 2.72Å; D237-F239 VanDerWaalsContact OD1-C 3.3Å; D237-F239 VanDerWaalsContact OD1-CA 3.28Å; D237-F239 WeakPolarHBondContact OD1-CA 3.26Å; D237-F239 WeakPolarHBondContact OD1-CB 3.23Å; D237-F239 PolarHBondContact OD1-N 3.05Å; D237-G240 PolarHBondContact O-N 3.22Å; D237-G240 PolarHBondContact OD1-N 3.26Å; D237-H241 PolarHBondContact N-O 3.26Å; D237-H241 PolarHBondContact OD1-N 2.87Å; D237-H241 IonicContact OD1-ND1 3.54Å; D237-H241 IonicContact OD2-ND1 2.72Å; D237-D361 WeakPolarHBondContact CB-OD1 3.49Å; D237-G453 PolarHBondContact OD2-N 2.91Å
238	S	98	Very high	98.2	Very high	68 Å²	68	48.4 Å²	48.4	48%	0.476	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-12	-179.8	-58.9	0	0	0	0	113.5	D361 K450	S238-D361 WeakPolarHBondContact CA-OD2 3.21Å; S238-D361 WeakPolarHBondContact CB-OD2 3.49Å; S238-D361 PolarHBondContact N-OD2 3.27Å; S238-D361 PolarHBondContact OG-OD2 2.99Å; S238-K450 PolarHBondContact OG-NZ 2.8Å
239	F	97.9	Very high	98.2	Very high	113 Å²	113	43.9 Å²	43.9	50%	0.496	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	2.6	179.1	-58.9	-83.4	0	0	0	112.7	D237 K450	D237-F239 PolarHBondContact O-N 2.72Å; D237-F239 VanDerWaalsContact OD1-C 3.3Å; D237-F239 VanDerWaalsContact OD1-CA 3.28Å; D237-F239 WeakPolarHBondContact OD1-CA 3.26Å; D237-F239 WeakPolarHBondContact OD1-CB 3.23Å; D237-F239 PolarHBondContact OD1-N 3.05Å; F239-K450 VanDerWaalsContact CE2-O 3.28Å; F239-K450 WeakPolarHBondContact CE2-O 3.5Å; F239-K450 WeakPolarHBondContact CZ-O 3.31Å
240	G	98.1	Very high	98.3	Very high	34 Å²	34	42.4 Å²	42.4	35%	0.351	22%	0.215	S	C	.	.	S	Bend	trans	83.2	12.5	178.8	0	0	0	0	0	114.5	D237	D237-G240 PolarHBondContact O-N 3.22Å; D237-G240 PolarHBondContact OD1-N 3.26Å
241	H	98.6	Very high	98.3	Very high	60 Å²	60	41.9 Å²	41.9	28%	0.278	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-95.2	149.6	175.9	-53.1	112.3	0	0	0	111.7	R218 D219 P236 D237	R218-H241 HydrophobicContact CG-CB 4.25Å; R218-H241 CarbonylContact O-C 3.46Å; R218-H241 VanDerWaalsContact O-CA 3.3Å; R218-H241 WeakPolarHBondContact O-CA 3.44Å; D219-H241 IonicContact OD1-CD2 3.75Å; D219-H241 PolarHBondContact OD1-CD2 2.84Å; D219-H241 IonicContact OD1-NE2 3.77Å; P236-H241 CarbonylContact C-O 3.48Å; P236-H241 WeakPolarHBondContact CA-O 3.47Å; D237-H241 PolarHBondContact N-O 3.26Å; D237-H241 PolarHBondContact OD1-N 2.87Å; D237-H241 IonicContact OD1-ND1 3.54Å; D237-H241 IonicContact OD2-ND1 2.72Å
242	Y	98.8	Very high	98.3	Very high	3 Å²	3	38.6 Å²	38.6	1%	0.012	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-91.3	161.2	172.4	-62.7	-80.8	0	0	0	112.3	C216 P217 R218 I220 K222 A225 N232 A233 P236	C216-Y242 HydrophobicContact CB-CD1 3.68Å; C216-Y242 HydrophobicContact CB-CD2 3.62Å; C216-Y242 HydrophobicContact CB-CE1 4.05Å; C216-Y242 HydrophobicContact CB-CE2 3.98Å; C216-Y242 HydrophobicContact CB-CG 3.45Å; C216-Y242 VanDerWaalsContact CB-CG 3.45Å; P217-Y242 WeakPolarHBondContact O-CD2 3.37Å; R218-Y242 WeakPolarHBondContact CG-O 3.47Å; R218-Y242 PolarHBondContact O-N 3.05Å; I220-Y242 HydrophobicContact CG2-CD2 3.74Å; I220-Y242 HydrophobicContact CG2-CE2 3.49Å; I220-Y242 VanDerWaalsContact CG2-CE2 3.49Å; I220-Y242 WeakPolarHBondContact O-CE2 3.38Å; K222-Y242 WeakPolarHBondContact CA-OH 3.33Å; A225-Y242 HydrophobicContact CB-CE2 3.84Å; A225-Y242 WeakPolarHBondContact CB-OH 3.4Å; N232-Y242 WeakPolarHBondContact O-CD1 3.45Å; N232-Y242 WeakPolarHBondContact O-CE1 3.34Å; A233-Y242 PolarHBondContact O-OH 2.81Å; P236-Y242 HydrophobicContact CB-CD1 4.26Å; P236-Y242 HydrophobicContact CB-CE1 3.89Å; P236-Y242 HydrophobicContact CG-CE1 4.43Å
243	R	98.4	Very high	98.3	Very high	17 Å²	17	38.5 Å²	38.5	6%	0.064	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-52.3	137.8	-179.1	-178.4	-172	-173.3	-92.1	-6.3	113.1	P209 G210 D456 D459	P209-R243 VanDerWaalsContact O-CZ 3.3Å; P209-R243 PolarHBondContact O-NH1 2.79Å; P209-R243 VanDerWaalsContact O-NH1 3.09Å; P209-R243 PolarHBondContact O-NH2 2.64Å; G210-R243 PolarHBondContact O-NH1 2.83Å; R243-D456 HydrophobicContact CB-CB 4Å; R243-D456 HydrophobicContact CG-CB 4.41Å; R243-D459 WeakPolarHBondContact CD-OD2 3.26Å; R243-D459 WeakPolarHBondContact CG-OD2 3.31Å; R243-D459 IonicContact CZ-OD1 2.7Å; R243-D459 IonicContact CZ-OD2 3.56Å; R243-D459 IonicContact NE-OD1 2.75Å; R243-D459 PolarHBondContact NE-OD1 3.19Å; R243-D459 IonicContact NE-OD2 3.45Å; R243-D459 PolarHBondContact NE-OD2 2.79Å; R243-D459 IonicContact NH2-OD1 3.59Å; R243-D459 PolarHBondContact NH2-OD1 3.45Å
244	E	98.3	Very high	98.3	Very high	45 Å²	45	38.4 Å²	38.4	21%	0.21	19%	0.192	C	C	.	.			trans	-116.4	124.4	158.7	-79.2	177.9	89.9	0	0	109.4	R218 K246 F247 S248	R218-E244 HydrophobicContact CB-CG 4.27Å; R218-E244 WeakPolarHBondContact CD-OE2 3.15Å; R218-E244 HydrophobicContact CG-CG 4.21Å; R218-E244 IonicContact CZ-OE2 2.83Å; R218-E244 IonicContact NE-OE2 2.65Å; R218-E244 IonicContact NH1-OE2 3.14Å; R218-E244 PolarHBondContact NH1-OE2 2.77Å; E244-K246 VanDerWaalsContact C-N 3.32Å; E244-K246 PolarHBondContact O-N 2.98Å; E244-K246 WeakPolarHBondContact OE1-CE 3.38Å; E244-K246 IonicContact OE1-NZ 3.71Å; E244-K246 PolarHBondContact OE1-NZ 2.81Å; E244-F247 HydrophobicContact CB-CD2 3.78Å; E244-F247 HydrophobicContact CB-CE2 4.41Å; E244-F247 HydrophobicContact CG-CD2 4.45Å; E244-F247 PolarHBondContact O-N 3.35Å; E244-F247 VanDerWaalsContact O-N 3.15Å; E244-F247 WeakPolarHBondContact OE2-CD2 3.39Å; E244-F247 WeakPolarHBondContact OE2-CE2 3.36Å; E244-S248 PolarHBondContact O-N 3.49Å; E244-S248 PolarHBondContact O-OG 2.54Å
245	A	98.1	Very high	98.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-54.8	-45.6	-173.1	0	0	0	0	0	113	I201 P209 N211 F247 S248 Q249	I201-A245 VanDerWaalsContact CD1-C 3.46Å; I201-A245 HydrophobicContact CD1-CB 3.89Å; I201-A245 HydrophobicContact CG1-CB 4.06Å; P209-A245 WeakPolarHBondContact O-CB 3.38Å; N211-A245 WeakPolarHBondContact OD1-CB 3.35Å; A245-F247 VanDerWaalsContact C-N 3.27Å; A245-F247 PolarHBondContact O-N 3.35Å; A245-S248 PolarHBondContact O-N 3.34Å; A245-Q249 PolarHBondContact O-N 3.5Å; A245-Q249 VanDerWaalsContact O-N 3.09Å
246	K	96.8	Very high	98.3	Very high	114 Å²	114	28.8 Å²	28.8	50%	0.496	15%	0.15	S	C	.	.	H	α-helix	trans	-58.6	-33.5	-178.1	70.4	-169.8	178.8	-154.5	0	113.7	I201 E244	I201-K246 VanDerWaalsContact CD1-CA 3.49Å; I201-K246 HydrophobicContact CD1-CB 4.27Å; E244-K246 VanDerWaalsContact C-N 3.32Å; E244-K246 PolarHBondContact O-N 2.98Å; E244-K246 WeakPolarHBondContact OE1-CE 3.38Å; E244-K246 IonicContact OE1-NZ 3.71Å; E244-K246 PolarHBondContact OE1-NZ 2.81Å
247	F	96.7	Very high	98.4	Very high	53 Å²	53	27.7 Å²	27.7	23%	0.232	14%	0.143	C	C	.	.	H	α-helix	trans	-80.3	-26.8	178.2	-64.9	-41.3	0	0	0	111.8	E244 A245 Y363	E244-F247 HydrophobicContact CB-CD2 3.78Å; E244-F247 HydrophobicContact CB-CE2 4.41Å; E244-F247 HydrophobicContact CG-CD2 4.45Å; E244-F247 PolarHBondContact O-N 3.35Å; E244-F247 VanDerWaalsContact O-N 3.15Å; E244-F247 WeakPolarHBondContact OE2-CD2 3.39Å; E244-F247 WeakPolarHBondContact OE2-CE2 3.36Å; A245-F247 VanDerWaalsContact C-N 3.27Å; A245-F247 PolarHBondContact O-N 3.35Å; F247-Y363 HydrophobicContact CB-CD2 3.89Å; F247-Y363 HydrophobicContact CB-CE2 4.13Å; F247-Y363 HydrophobicContact CB-CG 4.49Å; F247-Y363 HydrophobicContact CD1-CE2 4.44Å; F247-Y363 HydrophobicContact CG-CE2 4.46Å; F247-Y363 WeakPolarHBondContact O-CD2 3.36Å
248	S	98.4	Very high	98.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-79	-30.8	-179.7	-53.1	0	0	0	0	112.7	E244 A245 T250 K251 H252 W454	E244-S248 PolarHBondContact O-N 3.49Å; E244-S248 PolarHBondContact O-OG 2.54Å; A245-S248 PolarHBondContact O-N 3.34Å; S248-T250 VanDerWaalsContact C-N 3.31Å; S248-T250 PolarHBondContact O-N 3.05Å; S248-K251 PolarHBondContact O-N 2.89Å; S248-H252 PolarHBondContact O-CD2 3.44Å; S248-H252 PolarHBondContact O-N 3.11Å; S248-W454 VanDerWaalsContact O-CZ3 3.32Å; S248-W454 WeakPolarHBondContact O-CZ3 3.48Å
249	Q	98.7	Very high	98.4	Very high	13 Å²	13	24.4 Å²	24.4	6%	0.061	12%	0.12	C	C	.	.	H	α-helix	trans	-56.3	-41	-173.2	-176.6	171.5	-80.5	0	0	113.5	D174 F197 I201 A245 K251 H252 H253	D174-Q249 HydrophobicContact CB-CG 4.32Å; D174-Q249 PolarHBondContact OD1-NE2 2.75Å; D174-Q249 PolarHBondContact OD2-NE2 2.97Å; D174-Q249 VanDerWaalsContact OD2-NE2 3.11Å; F197-Q249 HydrophobicContact CE1-CG 4.34Å; I201-Q249 HydrophobicContact CD1-CB 4.03Å; I201-Q249 HydrophobicContact CG1-CB 4.49Å; I201-Q249 VanDerWaalsContact CG1-OE1 3.24Å; A245-Q249 PolarHBondContact O-N 3.5Å; A245-Q249 VanDerWaalsContact O-N 3.09Å; Q249-K251 PolarHBondContact O-N 3.47Å; Q249-H252 WeakPolarHBondContact O-CB 3.32Å; Q249-H252 PolarHBondContact O-N 3.42Å; Q249-H253 VanDerWaalsContact O-CB 3.31Å; Q249-H253 WeakPolarHBondContact O-CB 3.49Å; Q249-H253 PolarHBondContact O-N 3.29Å
250	T	98.6	Very high	98.4	Very high	28 Å²	28	19.7 Å²	19.7	17%	0.172	10%	0.099	C	C	.	.	H	α-helix	trans	-63.7	-42.1	-174.6	-58.3	0	0	0	0	112.5	Q143 S248 W254 M399	Q143-T250 PolarHBondContact NE2-O 3.43Å; S248-T250 VanDerWaalsContact C-N 3.31Å; S248-T250 PolarHBondContact O-N 3.05Å; T250-W254 VanDerWaalsContact O-CB 3.31Å; T250-W254 WeakPolarHBondContact O-CB 3.4Å; T250-W254 PolarHBondContact O-N 3.38Å; T250-M399 HydrophobicContact CG2-CE 4.06Å; T250-M399 VanDerWaalsContact OG1-CE 3.27Å; T250-M399 WeakPolarHBondContact OG1-CE 3.03Å
251	K	98.8	Very high	98.4	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-70.4	-39.1	176.8	174.8	173.3	176.1	-176.8	0	112	S248 Q249 W254 W255 F357 Y360 D362 Y363 W365 S368 W454	S248-K251 PolarHBondContact O-N 2.89Å; Q249-K251 PolarHBondContact O-N 3.47Å; K251-W254 PolarHBondContact O-N 3.05Å; K251-W255 PolarHBondContact O-N 2.96Å; K251-W255 VanDerWaalsContact O-N 3.1Å; K251-F357 HydrophobicContact CD-CE1 4.29Å; K251-F357 HydrophobicContact CD-CZ 4.43Å; K251-F357 VanDerWaalsContact CE-O 3.26Å; K251-F357 WeakPolarHBondContact CE-O 3.47Å; K251-F357 HydrophobicContact CG-CE1 3.77Å; K251-F357 HydrophobicContact CG-CZ 3.91Å; K251-F357 PolarHBondContact NZ-O 3.4Å; K251-Y360 PolarHBondContact NZ-O 3.17Å; K251-D362 VanDerWaalsContact CD-O 3.25Å; K251-D362 WeakPolarHBondContact CD-O 3.36Å; K251-D362 PolarHBondContact NZ-O 2.99Å; K251-Y363 VanDerWaalsContact CB-O 3.23Å; K251-Y363 WeakPolarHBondContact CB-O 3.15Å; K251-W365 HydrophobicContact CB-CB 4.45Å; K251-W365 HydrophobicContact CG-CB 4.47Å; K251-S368 WeakPolarHBondContact CE-OG 3.4Å; K251-S368 PolarHBondContact NZ-OG 3.44Å; K251-W454 HydrophobicContact CB-CE3 4.45Å; K251-W454 HydrophobicContact CB-CH2 3.94Å; K251-W454 HydrophobicContact CB-CZ3 3.83Å; K251-W454 HydrophobicContact CD-CD2 3.79Å; K251-W454 HydrophobicContact CD-CE3 3.89Å; K251-W454 HydrophobicContact CD-CG 4.41Å; K251-W454 HydrophobicContact CD-CH2 3.93Å; K251-W454 HydrophobicContact CD-CZ2 3.89Å; K251-W454 HydrophobicContact CD-CZ3 3.93Å; K251-W454 HydrophobicContact CG-CH2 3.8Å; K251-W454 HydrophobicContact CG-CZ2 4.06Å; K251-W454 HydrophobicContact CG-CZ3 4.05Å
252	H	98.9	Very high	98.4	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.009	7%	0.07	C	C	.	.	H	α-helix	trans	-58	-55.4	172.3	-84.1	-52.2	0	0	0	112.4	F197 S248 Q249 W254 W255 W256 W454 D459 Y466	F197-H252 HydrophobicContact CE1-CB 4.17Å; F197-H252 HydrophobicContact CE2-CB 4.41Å; F197-H252 HydrophobicContact CZ-CB 3.66Å; S248-H252 PolarHBondContact O-CD2 3.44Å; S248-H252 PolarHBondContact O-N 3.11Å; Q249-H252 WeakPolarHBondContact O-CB 3.32Å; Q249-H252 PolarHBondContact O-N 3.42Å; H252-W254 PolarHBondContact O-N 3.01Å; H252-W255 PolarHBondContact O-N 3.27Å; H252-W256 WeakPolarHBondContact O-CB 3.21Å; H252-W256 PolarHBondContact O-N 3.03Å; H252-W454 AromaticContact CD2-CH2 3.52Å; H252-W454 AromaticContact CD2-CZ3 3.98Å; H252-W454 AromaticContact CE1-CH2 3.46Å; H252-W454 VanDerWaalsContact CE1-CH2 3.46Å; H252-W454 WeakPolarHBondContact CE1-CH2 3.42Å; H252-W454 AromaticContact CE1-CZ2 3.79Å; H252-W454 AromaticContact CG-CH2 3.67Å; H252-W454 AromaticContact ND1-CH2 3.64Å; H252-W454 AromaticContact NE2-CH2 3.37Å; H252-W454 WeakPolarHBondContact NE2-CH2 3.46Å; H252-W454 AromaticContact NE2-CZ3 3.99Å; H252-D459 IonicContact CD2-OD1 2.79Å; H252-D459 PolarHBondContact CE1-O 3.34Å; H252-D459 IonicContact CE1-OD1 3.71Å; H252-D459 IonicContact NE2-OD1 3.71Å; H252-D459 PolarHBondContact NE2-OD1 3.44Å; H252-Y466 HydrophobicContact CB-CE2 4.46Å; H252-Y466 WeakPolarHBondContact CB-OH 3.33Å; H252-Y466 VanDerWaalsContact CG-OH 3.24Å; H252-Y466 AromaticContact ND1-CE2 3.8Å; H252-Y466 AromaticContact ND1-CZ 3.64Å; H252-Y466 PolarHBondContact ND1-OH 3.41Å; H252-Y466 WeakPolarHBondContact O-CE2 3.47Å
253	H	98.9	Very high	98.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-57.3	-40.9	178.4	-177	-177.6	0	0	0	110.5	S172 D174 F197 Q249 K257	S172-H253 PolarHBondContact O-CE1 3.46Å; S172-H253 PolarHBondContact O-NE2 2.83Å; S172-H253 PolarHBondContact OG-NE2 2.95Å; D174-H253 HydrophobicContact CB-CB 4.49Å; D174-H253 WeakPolarHBondContact CB-ND1 3.42Å; D174-H253 VanDerWaalsContact CG-ND1 3.27Å; D174-H253 PolarHBondContact N-CE1 2.96Å; D174-H253 IonicContact OD2-CE1 3.87Å; D174-H253 IonicContact OD2-CG 3.74Å; D174-H253 IonicContact OD2-ND1 2.78Å; D174-H253 PolarHBondContact OD2-ND1 3.32Å; F197-H253 HydrophobicContact CD1-CB 4.07Å; F197-H253 HydrophobicContact CE1-CB 4.49Å; F197-H253 HydrophobicContact CG-CB 4.19Å; Q249-H253 VanDerWaalsContact O-CB 3.31Å; Q249-H253 WeakPolarHBondContact O-CB 3.49Å; Q249-H253 PolarHBondContact O-N 3.29Å; H253-K257 WeakPolarHBondContact O-CB 3.5Å; H253-K257 WeakPolarHBondContact O-CG 3.5Å; H253-K257 PolarHBondContact O-N 3.03Å
254	W	98.9	Very high	98.2	Very high	4 Å²	4	21 Å²	21	2%	0.015	10%	0.098	C	C	.	.	H	α-helix	trans	-64	-45	-178.5	-164.6	105.2	0	0	0	113.1	T250 K251 H252 K257 L258 L277 F357 W365 L369	T250-W254 VanDerWaalsContact O-CB 3.31Å; T250-W254 WeakPolarHBondContact O-CB 3.4Å; T250-W254 PolarHBondContact O-N 3.38Å; K251-W254 PolarHBondContact O-N 3.05Å; H252-W254 PolarHBondContact O-N 3.01Å; W254-K257 WeakPolarHBondContact O-CG 3.35Å; W254-K257 PolarHBondContact O-NZ 3.26Å; W254-L258 HydrophobicContact CH2-CD2 3.92Å; W254-L258 HydrophobicContact CZ3-CB 4.45Å; W254-L258 HydrophobicContact CZ3-CD2 3.65Å; W254-L258 WeakPolarHBondContact O-CB 3.43Å; W254-L258 PolarHBondContact O-N 2.81Å; W254-L277 HydrophobicContact CH2-CD1 4.35Å; W254-L277 HydrophobicContact CZ2-CD1 3.72Å; W254-F357 HydrophobicContact CE3-CZ 4.31Å; W254-W365 HydrophobicContact CB-CB 3.85Å; W254-W365 HydrophobicContact CB-CG 3.89Å; W254-W365 AromaticContact CD1-CD1 3.69Å; W254-W365 AromaticContact CD1-CD2 3.24Å; W254-W365 AromaticContact CD1-CE2 3.37Å; W254-W365 AromaticContact CD1-CE3 3.72Å; W254-W365 AromaticContact CD1-CG 3.48Å; W254-W365 VanDerWaalsContact CD1-CG 3.48Å; W254-W365 AromaticContact CD1-CZ2 3.93Å; W254-W365 AromaticContact CD1-NE1 3.61Å; W254-W365 HydrophobicContact CD2-CB 4.04Å; W254-W365 AromaticContact CD2-CD2 3.87Å; W254-W365 HydrophobicContact CD2-CD2 3.87Å; W254-W365 AromaticContact CD2-CE3 3.75Å; W254-W365 HydrophobicContact CD2-CE3 3.75Å; W254-W365 HydrophobicContact CD2-CG 4.01Å; W254-W365 HydrophobicContact CD2-CZ3 4.48Å; W254-W365 AromaticContact CE2-CD2 3.67Å; W254-W365 AromaticContact CE2-CE3 3.23Å; W254-W365 AromaticContact CE2-CZ3 3.53Å; W254-W365 HydrophobicContact CE3-CB 4.35Å; W254-W365 HydrophobicContact CE3-CE3 4.42Å; W254-W365 HydrophobicContact CG-CB 3.79Å; W254-W365 AromaticContact CG-CD1 3.98Å; W254-W365 AromaticContact CG-CD2 3.68Å; W254-W365 HydrophobicContact CG-CD2 3.68Å; W254-W365 HydrophobicContact CG-CE3 4.08Å; W254-W365 AromaticContact CG-CG 3.54Å; W254-W365 HydrophobicContact CG-CG 3.54Å; W254-W365 HydrophobicContact CH2-CE3 4.32Å; W254-W365 HydrophobicContact CZ2-CD2 4.45Å; W254-W365 AromaticContact CZ2-CE3 3.58Å; W254-W365 HydrophobicContact CZ2-CE3 3.58Å; W254-W365 HydrophobicContact CZ2-CH2 4.43Å; W254-W365 AromaticContact CZ2-CZ3 3.57Å; W254-W365 HydrophobicContact CZ2-CZ3 3.57Å; W254-W365 AromaticContact NE1-CD2 3.25Å; W254-W365 VanDerWaalsContact NE1-CD2 3.25Å; W254-W365 AromaticContact NE1-CE2 3.43Å; W254-W365 AromaticContact NE1-CE3 3.2Å; W254-W365 AromaticContact NE1-CG 3.98Å; W254-W365 AromaticContact NE1-CH2 3.54Å; W254-W365 AromaticContact NE1-CZ2 3.59Å; W254-W365 AromaticContact NE1-CZ3 3.35Å; W254-L369 HydrophobicContact CH2-CD1 3.57Å; W254-L369 HydrophobicContact CH2-CD2 4.03Å; W254-L369 HydrophobicContact CH2-CG 4.22Å; W254-L369 HydrophobicContact CZ2-CD1 3.84Å; W254-L369 HydrophobicContact CZ3-CD1 4.24Å; W254-L369 HydrophobicContact CZ3-CD2 4.05Å; W254-L369 HydrophobicContact CZ3-CG 4.44Å
255	W	98.8	Very high	98.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-71.2	-43.8	179.1	-161.6	-117.8	0	0	0	112.1	K251 H252 K257 L258 H259 L350 I351 T354 F357 Y466	K251-W255 PolarHBondContact O-N 2.96Å; K251-W255 VanDerWaalsContact O-N 3.1Å; H252-W255 PolarHBondContact O-N 3.27Å; W255-K257 PolarHBondContact O-N 3.37Å; W255-L258 HydrophobicContact CE3-CD2 4.21Å; W255-L258 HydrophobicContact CZ3-CD2 3.99Å; W255-L258 PolarHBondContact O-N 3.46Å; W255-H259 PolarHBondContact O-N 2.96Å; W255-L350 HydrophobicContact CH2-CB 4.27Å; W255-L350 WeakPolarHBondContact CH2-O 3.26Å; W255-I351 HydrophobicContact CH2-CD1 4.46Å; W255-I351 HydrophobicContact CZ2-CD1 3.75Å; W255-T354 WeakPolarHBondContact CZ2-OG1 3.37Å; W255-F357 HydrophobicContact CB-CD1 4.31Å; W255-F357 HydrophobicContact CB-CE1 3.73Å; W255-F357 HydrophobicContact CB-CZ 4.42Å; W255-F357 AromaticContact CD2-CD1 3.61Å; W255-F357 HydrophobicContact CD2-CD1 3.61Å; W255-F357 AromaticContact CD2-CE1 3.77Å; W255-F357 HydrophobicContact CD2-CE1 3.77Å; W255-F357 HydrophobicContact CD2-CG 4.11Å; W255-F357 HydrophobicContact CD2-CZ 4.35Å; W255-F357 AromaticContact CE3-CD1 3.65Å; W255-F357 HydrophobicContact CE3-CD1 3.65Å; W255-F357 AromaticContact CE3-CD2 3.96Å; W255-F357 HydrophobicContact CE3-CD2 3.96Å; W255-F357 AromaticContact CE3-CE1 3.65Å; W255-F357 HydrophobicContact CE3-CE1 3.65Å; W255-F357 AromaticContact CE3-CE2 3.92Å; W255-F357 HydrophobicContact CE3-CE2 3.92Å; W255-F357 AromaticContact CE3-CG 3.82Å; W255-F357 HydrophobicContact CE3-CG 3.82Å; W255-F357 AromaticContact CE3-CZ 3.76Å; W255-F357 HydrophobicContact CE3-CZ 3.76Å; W255-F357 AromaticContact CG-CD1 3.9Å; W255-F357 HydrophobicContact CG-CD1 3.9Å; W255-F357 AromaticContact CG-CE1 3.82Å; W255-F357 HydrophobicContact CG-CE1 3.82Å; W255-F357 HydrophobicContact CH2-CB 4.27Å; W255-F357 HydrophobicContact CH2-CD2 4.48Å; W255-F357 HydrophobicContact CH2-CG 4.23Å; W255-F357 HydrophobicContact CZ2-CB 4.36Å; W255-F357 HydrophobicContact CZ2-CG 4.48Å; W255-F357 HydrophobicContact CZ3-CB 4.42Å; W255-F357 HydrophobicContact CZ3-CD1 4.2Å; W255-F357 AromaticContact CZ3-CD2 3.85Å; W255-F357 HydrophobicContact CZ3-CD2 3.85Å; W255-F357 HydrophobicContact CZ3-CE1 4.48Å; W255-F357 HydrophobicContact CZ3-CE2 4.12Å; W255-F357 AromaticContact CZ3-CG 3.89Å; W255-F357 HydrophobicContact CZ3-CG 3.89Å; W255-F357 HydrophobicContact CZ3-CZ 4.42Å; W255-Y466 HydrophobicContact CB-CD2 4.35Å; W255-Y466 AromaticContact CD1-CD2 3.99Å
256	W	98.8	Very high	98.2	Very high	13 Å²	13	25.6 Å²	25.6	5%	0.049	11%	0.113	C	C	.	.	H	α-helix	trans	-58	-51	176.7	170	85.2	0	0	0	111.5	S172 I195 F196 F197 P198 H252 L258 H259 F260 Y466	S172-W256 WeakPolarHBondContact OG-CZ3 3.18Å; I195-W256 HydrophobicContact CB-CH2 4.2Å; I195-W256 HydrophobicContact CD1-CH2 4.09Å; I195-W256 HydrophobicContact CD1-CZ3 4.16Å; I195-W256 HydrophobicContact CG1-CH2 4.11Å; I195-W256 HydrophobicContact CG1-CZ3 4.3Å; F196-W256 VanDerWaalsContact O-CH2 3.26Å; F196-W256 WeakPolarHBondContact O-CH2 3.49Å; F196-W256 WeakPolarHBondContact O-CZ2 3.34Å; F197-W256 HydrophobicContact CB-CD2 4.42Å; F197-W256 HydrophobicContact CB-CE3 3.84Å; F197-W256 HydrophobicContact CB-CZ3 3.96Å; F197-W256 HydrophobicContact CD2-CB 3.75Å; F197-W256 AromaticContact CD2-CD2 3.62Å; F197-W256 HydrophobicContact CD2-CD2 3.62Å; F197-W256 AromaticContact CD2-CE3 3.78Å; F197-W256 HydrophobicContact CD2-CE3 3.78Å; F197-W256 AromaticContact CD2-CG 3.57Å; F197-W256 HydrophobicContact CD2-CG 3.57Å; F197-W256 HydrophobicContact CE2-CB 3.79Å; F197-W256 HydrophobicContact CE2-CD2 4.46Å; F197-W256 AromaticContact CE2-CG 3.94Å; F197-W256 HydrophobicContact CE2-CG 3.94Å; F197-W256 HydrophobicContact CG-CD2 4.5Å; F197-W256 HydrophobicContact CG-CE3 4.26Å; P198-W256 HydrophobicContact CG-CZ2 4.41Å; H252-W256 WeakPolarHBondContact O-CB 3.21Å; H252-W256 PolarHBondContact O-N 3.03Å; W256-L258 PolarHBondContact O-N 3.25Å; W256-H259 PolarHBondContact O-N 3.14Å; W256-F260 HydrophobicContact CD2-CB 4.38Å; W256-F260 AromaticContact CE2-CD2 3.86Å; W256-F260 HydrophobicContact CH2-CB 4.32Å; W256-F260 HydrophobicContact CH2-CD1 4.29Å; W256-F260 HydrophobicContact CH2-CD2 4.32Å; W256-F260 HydrophobicContact CH2-CG 4.05Å; W256-F260 HydrophobicContact CZ2-CB 3.97Å; W256-F260 HydrophobicContact CZ2-CD1 4.21Å; W256-F260 AromaticContact CZ2-CD2 3.47Å; W256-F260 HydrophobicContact CZ2-CD2 3.47Å; W256-F260 VanDerWaalsContact CZ2-CD2 3.47Å; W256-F260 AromaticContact CZ2-CE2 3.97Å; W256-F260 HydrophobicContact CZ2-CE2 3.97Å; W256-F260 AromaticContact CZ2-CG 3.61Å; W256-F260 HydrophobicContact CZ2-CG 3.61Å; W256-F260 AromaticContact NE1-CD2 4Å; W256-F260 WeakPolarHBondContact O-CB 3.37Å; W256-F260 PolarHBondContact O-N 2.74Å; W256-Y466 HydrophobicContact CB-CD1 4.35Å; W256-Y466 HydrophobicContact CB-CD2 3.76Å; W256-Y466 HydrophobicContact CB-CE1 4.44Å; W256-Y466 HydrophobicContact CB-CE2 3.88Å; W256-Y466 HydrophobicContact CB-CG 4.02Å
257	K	98.8	Very high	98.2	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.009	11%	0.107	C	C	.	.	H	α-helix	trans	-65.4	-33.2	-176	80.3	179.3	-167.1	-66.2	0	111.6	V141 Q143 S172 H253 W254 W255 F260 V261	V141-K257 HydrophobicContact CG1-CD 4.31Å; Q143-K257 HydrophobicContact CB-CD 4.13Å; Q143-K257 HydrophobicContact CG-CD 4.32Å; S172-K257 VanDerWaalsContact OG-CB 3.25Å; S172-K257 WeakPolarHBondContact OG-CB 3.28Å; H253-K257 WeakPolarHBondContact O-CB 3.5Å; H253-K257 WeakPolarHBondContact O-CG 3.5Å; H253-K257 PolarHBondContact O-N 3.03Å; W254-K257 WeakPolarHBondContact O-CG 3.35Å; W254-K257 PolarHBondContact O-NZ 3.26Å; W255-K257 PolarHBondContact O-N 3.37Å; K257-F260 PolarHBondContact O-N 2.88Å; K257-V261 WeakPolarHBondContact O-CB 3.11Å; K257-V261 VanDerWaalsContact O-CG2 3.27Å; K257-V261 WeakPolarHBondContact O-CG2 3.22Å; K257-V261 PolarHBondContact O-N 3.12Å
258	L	98.4	Very high	98.3	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.01	10%	0.097	C	C	.	.	H	α-helix	trans	-61.2	-51.1	176.9	-179.4	67.2	0	0	0	109.8	W254 W255 W256 W262 L277 L342 Y347 L350	W254-L258 HydrophobicContact CH2-CD2 3.92Å; W254-L258 HydrophobicContact CZ3-CB 4.45Å; W254-L258 HydrophobicContact CZ3-CD2 3.65Å; W254-L258 WeakPolarHBondContact O-CB 3.43Å; W254-L258 PolarHBondContact O-N 2.81Å; W255-L258 HydrophobicContact CE3-CD2 4.21Å; W255-L258 HydrophobicContact CZ3-CD2 3.99Å; W255-L258 PolarHBondContact O-N 3.46Å; W256-L258 PolarHBondContact O-N 3.25Å; L258-W262 VanDerWaalsContact O-CD1 3.23Å; L258-W262 PolarHBondContact O-N 3.31Å; L258-L277 HydrophobicContact CD1-CD1 4.28Å; L258-L342 HydrophobicContact CD1-CD1 3.83Å; L258-Y347 HydrophobicContact CD1-CD2 4.17Å; L258-Y347 HydrophobicContact CD2-CD2 4.25Å; L258-Y347 HydrophobicContact CG-CD2 3.89Å; L258-Y347 HydrophobicContact CG-CE2 4.11Å; L258-L350 HydrophobicContact CD2-CD1 4.05Å
259	H	98.4	Very high	98.2	Very high	10 Å²	10	27.1 Å²	27.1	5%	0.046	13%	0.129	C	C	.	.	H	α-helix	trans	-62.6	-48.5	175.8	176.2	62	0	0	0	112	W255 W256 V261 W262 D263 R264 Y347 I351 Y466	W255-H259 PolarHBondContact O-N 2.96Å; W256-H259 PolarHBondContact O-N 3.14Å; H259-V261 VanDerWaalsContact C-N 3.35Å; H259-V261 PolarHBondContact O-N 3.32Å; H259-W262 PolarHBondContact O-N 3Å; H259-D263 IonicContact CE1-OD2 3.68Å; H259-D263 PolarHBondContact CE1-OD2 2.89Å; H259-D263 VanDerWaalsContact CE1-OD2 3.27Å; H259-D263 IonicContact NE2-OD2 2.72Å; H259-D263 WeakPolarHBondContact O-CB 3.44Å; H259-D263 PolarHBondContact O-N 3.23Å; H259-R264 PolarHBondContact NE2-NE 3.25Å; H259-Y347 PolarHBondContact ND1-OH 3.14Å; H259-I351 HydrophobicContact CB-CD1 4.34Å; H259-Y466 PolarHBondContact CD2-O 3.16Å; H259-Y466 PolarHBondContact NE2-O 3.18Å
260	F	98.7	Very high	98	Very high	13 Å²	13	30.8 Å²	30.8	6%	0.057	15%	0.148	C	C	.	.	I	π-helix	trans	-58.2	-44.9	-175.8	-165.1	-88.1	0	0	0	112.3	N119 I195 W256 K257 R264 V265	N119-F260 HydrophobicContact CB-CZ 4.03Å; I195-F260 HydrophobicContact CB-CD1 4.25Å; I195-F260 HydrophobicContact CB-CE1 4.05Å; I195-F260 HydrophobicContact CD1-CD1 3.75Å; I195-F260 HydrophobicContact CD1-CE1 4.4Å; I195-F260 HydrophobicContact CG2-CD1 4.1Å; I195-F260 HydrophobicContact CG2-CE1 3.69Å; W256-F260 HydrophobicContact CD2-CB 4.38Å; W256-F260 AromaticContact CE2-CD2 3.86Å; W256-F260 HydrophobicContact CH2-CB 4.32Å; W256-F260 HydrophobicContact CH2-CD1 4.29Å; W256-F260 HydrophobicContact CH2-CD2 4.32Å; W256-F260 HydrophobicContact CH2-CG 4.05Å; W256-F260 HydrophobicContact CZ2-CB 3.97Å; W256-F260 HydrophobicContact CZ2-CD1 4.21Å; W256-F260 AromaticContact CZ2-CD2 3.47Å; W256-F260 HydrophobicContact CZ2-CD2 3.47Å; W256-F260 VanDerWaalsContact CZ2-CD2 3.47Å; W256-F260 AromaticContact CZ2-CE2 3.97Å; W256-F260 HydrophobicContact CZ2-CE2 3.97Å; W256-F260 AromaticContact CZ2-CG 3.61Å; W256-F260 HydrophobicContact CZ2-CG 3.61Å; W256-F260 AromaticContact NE1-CD2 4Å; W256-F260 WeakPolarHBondContact O-CB 3.37Å; W256-F260 PolarHBondContact O-N 2.74Å; K257-F260 PolarHBondContact O-N 2.88Å; F260-R264 HydrophobicContact CD1-CB 4.28Å; F260-R264 HydrophobicContact CD2-CB 3.68Å; F260-R264 HydrophobicContact CD2-CG 3.9Å; F260-R264 HydrophobicContact CE1-CB 4.38Å; F260-R264 HydrophobicContact CE2-CB 3.81Å; F260-R264 HydrophobicContact CE2-CG 4.33Å; F260-R264 HydrophobicContact CG-CB 3.94Å; F260-R264 HydrophobicContact CG-CG 4.34Å; F260-R264 HydrophobicContact CZ-CB 4.17Å; F260-R264 CarbonylContact O-C 3.54Å; F260-R264 VanDerWaalsContact O-CA 3.3Å; F260-R264 WeakPolarHBondContact O-CA 3.46Å; F260-R264 VanDerWaalsContact O-CB 3.28Å; F260-R264 WeakPolarHBondContact O-CB 3.35Å; F260-R264 PolarHBondContact O-N 2.84Å; F260-V265 HydrophobicContact CD1-CG2 3.91Å; F260-V265 HydrophobicContact CE1-CG2 3.98Å; F260-V265 PolarHBondContact O-N 3.38Å
261	V	98.5	Very high	98	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.012	14%	0.14	C	C	.	.	I	π-helix	trans	-64.4	-44.6	178.9	169.2	0	0	0	0	112.1	V141 I170 I195 K257 H259 L268 V275	V141-V261 HydrophobicContact CG1-CG2 4.06Å; V141-V261 HydrophobicContact CG2-CB 4.44Å; V141-V261 HydrophobicContact CG2-CG1 3.86Å; V141-V261 HydrophobicContact CG2-CG2 3.89Å; I170-V261 HydrophobicContact CD1-CG1 4.19Å; I170-V261 HydrophobicContact CD1-CG2 4.21Å; I170-V261 HydrophobicContact CG2-CG2 4.5Å; I195-V261 HydrophobicContact CD1-CG2 3.85Å; K257-V261 WeakPolarHBondContact O-CB 3.11Å; K257-V261 VanDerWaalsContact O-CG2 3.27Å; K257-V261 WeakPolarHBondContact O-CG2 3.22Å; K257-V261 PolarHBondContact O-N 3.12Å; H259-V261 VanDerWaalsContact C-N 3.35Å; H259-V261 PolarHBondContact O-N 3.32Å; V261-L268 HydrophobicContact CG1-CD1 3.64Å; V261-V275 HydrophobicContact CG1-CG1 4.16Å; V261-V275 HydrophobicContact CG1-CG2 4.48Å
262	W	98.1	Very high	97.9	Very high	6 Å²	6	34.8 Å²	34.8	2%	0.023	17%	0.165	C	C	.	.	I	π-helix	trans	-78.2	-25.6	-174.1	-80.8	111	0	0	0	114.5	L258 H259 V275 L342 R344 Y347	L258-W262 VanDerWaalsContact O-CD1 3.23Å; L258-W262 PolarHBondContact O-N 3.31Å; H259-W262 PolarHBondContact O-N 3Å; W262-V275 HydrophobicContact CD2-CG2 4.21Å; W262-V275 HydrophobicContact CE3-CG2 4.39Å; W262-V275 HydrophobicContact CH2-CB 4.2Å; W262-V275 HydrophobicContact CH2-CG2 3.49Å; W262-V275 VanDerWaalsContact CH2-CG2 3.49Å; W262-V275 HydrophobicContact CZ2-CB 3.56Å; W262-V275 HydrophobicContact CZ2-CG2 3.27Å; W262-V275 HydrophobicContact CZ3-CG2 4.06Å; W262-L342 HydrophobicContact CZ2-CB 4.3Å; W262-R344 HydrophobicContact CE3-CB 4.24Å; W262-R344 HydrophobicContact CE3-CG 4.4Å; W262-R344 HydrophobicContact CH2-CB 4.12Å; W262-R344 VanDerWaalsContact CH2-N 3.28Å; W262-R344 HydrophobicContact CZ3-CB 3.65Å; W262-R344 HydrophobicContact CZ3-CG 4.28Å; W262-R344 PolarHBondContact O-NH1 3.38Å; W262-R344 VanDerWaalsContact O-NH1 3.15Å; W262-Y347 HydrophobicContact CB-CD1 3.58Å; W262-Y347 HydrophobicContact CB-CD2 4.06Å; W262-Y347 HydrophobicContact CB-CE1 3.38Å; W262-Y347 HydrophobicContact CB-CE2 3.86Å; W262-Y347 HydrophobicContact CB-CG 3.93Å; W262-Y347 AromaticContact CD1-CD2 3.35Å; W262-Y347 AromaticContact CD1-CE2 3.84Å; W262-Y347 AromaticContact CD1-CG 3.43Å; W262-Y347 VanDerWaalsContact CD1-CG 3.43Å; W262-Y347 HydrophobicContact CD2-CD1 4.02Å; W262-Y347 AromaticContact CD2-CG 3.98Å; W262-Y347 HydrophobicContact CD2-CG 3.98Å; W262-Y347 AromaticContact CG-CD1 3.6Å; W262-Y347 HydrophobicContact CG-CD1 3.6Å; W262-Y347 AromaticContact CG-CD2 3.78Å; W262-Y347 HydrophobicContact CG-CD2 3.78Å; W262-Y347 AromaticContact CG-CE1 3.93Å; W262-Y347 HydrophobicContact CG-CE1 3.93Å; W262-Y347 HydrophobicContact CG-CE2 4.08Å; W262-Y347 AromaticContact CG-CG 3.52Å; W262-Y347 HydrophobicContact CG-CG 3.52Å; W262-Y347 AromaticContact NE1-CD2 4Å; W262-Y347 AromaticContact NE1-CG 3.84Å
263	D	96.4	Very high	97.9	Very high	92 Å²	92	34.7 Å²	34.7	49%	0.492	17%	0.165	S	C	.	.	I	π-helix	trans	-120.8	-30.4	-169.5	-158.1	64.2	0	0	0	114	H259	H259-D263 IonicContact CE1-OD2 3.68Å; H259-D263 PolarHBondContact CE1-OD2 2.89Å; H259-D263 VanDerWaalsContact CE1-OD2 3.27Å; H259-D263 IonicContact NE2-OD2 2.72Å; H259-D263 WeakPolarHBondContact O-CB 3.44Å; H259-D263 PolarHBondContact O-N 3.23Å
264	R	97.2	Very high	97.8	Very high	43 Å²	43	35.6 Å²	35.6	16%	0.162	17%	0.169	C	C	.	.	I	π-helix	trans	-109.2	-23	-169.9	-50.3	-55.8	-175.2	153.3	2.8	114.4	Q122 H259 F260 R266 L469 Q470	Q122-R264 PolarHBondContact NE2-O 3.03Å; H259-R264 PolarHBondContact NE2-NE 3.25Å; F260-R264 HydrophobicContact CD1-CB 4.28Å; F260-R264 HydrophobicContact CD2-CB 3.68Å; F260-R264 HydrophobicContact CD2-CG 3.9Å; F260-R264 HydrophobicContact CE1-CB 4.38Å; F260-R264 HydrophobicContact CE2-CB 3.81Å; F260-R264 HydrophobicContact CE2-CG 4.33Å; F260-R264 HydrophobicContact CG-CB 3.94Å; F260-R264 HydrophobicContact CG-CG 4.34Å; F260-R264 HydrophobicContact CZ-CB 4.17Å; F260-R264 CarbonylContact O-C 3.54Å; F260-R264 VanDerWaalsContact O-CA 3.3Å; F260-R264 WeakPolarHBondContact O-CA 3.46Å; F260-R264 VanDerWaalsContact O-CB 3.28Å; F260-R264 WeakPolarHBondContact O-CB 3.35Å; F260-R264 PolarHBondContact O-N 2.84Å; R264-R266 PolarHBondContact O-N 2.78Å; R264-L469 PolarHBondContact NH2-O 3.3Å; R264-Q470 VanDerWaalsContact NH1-CD 3.3Å
265	V	98.2	Very high	97.8	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.024	17%	0.169	C	C	.	.			trans	-74	111.8	175.4	177	0	0	0	0	110.1	L193 F260 A267 L268	L193-V265 HydrophobicContact CD2-CG1 3.65Å; L193-V265 HydrophobicContact CD2-CG2 4.07Å; F260-V265 HydrophobicContact CD1-CG2 3.91Å; F260-V265 HydrophobicContact CE1-CG2 3.98Å; F260-V265 PolarHBondContact O-N 3.38Å; V265-A267 VanDerWaalsContact C-N 3.33Å; V265-A267 PolarHBondContact O-N 2.86Å; V265-L268 HydrophobicContact CB-CB 4.33Å; V265-L268 HydrophobicContact CB-CD1 4.21Å; V265-L268 HydrophobicContact CB-CG 4.25Å; V265-L268 HydrophobicContact CG1-CB 4.28Å; V265-L268 HydrophobicContact CG1-CD1 4.07Å; V265-L268 HydrophobicContact CG1-CG 3.82Å; V265-L268 PolarHBondContact O-N 3.42Å
266	R	97.5	Very high	97.8	Very high	136 Å²	136	35.4 Å²	35.4	51%	0.513	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-59.7	-40.3	-173.3	-70	-173.9	-71.3	-100	2.1	113.2	F120 D121 R264 L268 K269	F120-R266 PolarHBondContact O-NH1 3.39Å; F120-R266 PolarHBondContact O-NH2 3.35Å; D121-R266 PolarHBondContact O-NH2 3Å; R264-R266 PolarHBondContact O-N 2.78Å; R266-L268 PolarHBondContact O-N 2.95Å; R266-L268 VanDerWaalsContact O-N 3.14Å; R266-K269 WeakPolarHBondContact O-CB 3.32Å; R266-K269 PolarHBondContact O-N 3.12Å; R266-K269 VanDerWaalsContact O-N 3.14Å
267	A	96.7	Very high	97.8	Very high	44 Å²	44	35.4 Å²	35.4	36%	0.364	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-67.3	-10.8	178.5	0	0	0	0	0	114	I124 V265	I124-A267 HydrophobicContact CD1-CB 3.55Å; V265-A267 VanDerWaalsContact C-N 3.33Å; V265-A267 PolarHBondContact O-N 2.86Å
268	L	97.8	Very high	97.8	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-107.4	11.2	177.5	-59.5	-174.6	0	0	0	113.2	V139 L168 I170 V261 V265 R266 D270 H271 R344	V139-L268 HydrophobicContact CG1-CD1 3.99Å; V139-L268 HydrophobicContact CG2-CD1 4.13Å; V139-L268 HydrophobicContact CG2-CD2 3.48Å; V139-L268 VanDerWaalsContact CG2-CD2 3.48Å; V139-L268 HydrophobicContact CG2-CG 4.47Å; L168-L268 HydrophobicContact CD2-CD2 3.9Å; L168-L268 HydrophobicContact CD2-CG 4.25Å; I170-L268 HydrophobicContact CD1-CD1 3.89Å; V261-L268 HydrophobicContact CG1-CD1 3.64Å; V265-L268 HydrophobicContact CB-CB 4.33Å; V265-L268 HydrophobicContact CB-CD1 4.21Å; V265-L268 HydrophobicContact CB-CG 4.25Å; V265-L268 HydrophobicContact CG1-CB 4.28Å; V265-L268 HydrophobicContact CG1-CD1 4.07Å; V265-L268 HydrophobicContact CG1-CG 3.82Å; V265-L268 PolarHBondContact O-N 3.42Å; R266-L268 PolarHBondContact O-N 2.95Å; R266-L268 VanDerWaalsContact O-N 3.14Å; L268-D270 PolarHBondContact O-N 3.48Å; L268-H271 HydrophobicContact CB-CB 4.21Å; L268-H271 HydrophobicContact CD2-CB 4.44Å; L268-H271 WeakPolarHBondContact O-CB 3.49Å; L268-H271 PolarHBondContact O-N 3.48Å; L268-R344 PolarHBondContact O-NH2 2.81Å
269	K	96.3	Very high	97.8	Very high	154 Å²	154	37.8 Å²	37.8	67%	0.67	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	126.2	172.1	-172.3	179.7	177.2	-179.6	0	110	R266 H271	R266-K269 WeakPolarHBondContact O-CB 3.32Å; R266-K269 PolarHBondContact O-N 3.12Å; R266-K269 VanDerWaalsContact O-N 3.14Å; K269-H271 PolarHBondContact O-N 3.42Å; K269-H271 VanDerWaalsContact O-N 3.11Å
270	D	95.7	Very high	97.8	Very high	89 Å²	89	37.5 Å²	37.5	48%	0.476	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	17.9	-178.2	-48.5	-42.9	0	0	0	115.4	L268 Q272	L268-D270 PolarHBondContact O-N 3.48Å; D270-Q272 PolarHBondContact O-N 3.48Å; D270-Q272 PolarHBondContact O-NE2 3.21Å
271	H	98.1	Very high	97.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.178	C	C	.	.			trans	-58.2	127.1	177	178.2	73.1	0	0	0	111.6	K135 D136 D137 L268 K269 G273 R344	K135-H271 PolarHBondContact O-ND1 2.89Å; D136-H271 IonicContact OD1-ND1 3.48Å; D137-H271 PolarHBondContact O-CE1 2.96Å; L268-H271 HydrophobicContact CB-CB 4.21Å; L268-H271 HydrophobicContact CD2-CB 4.44Å; L268-H271 WeakPolarHBondContact O-CB 3.49Å; L268-H271 PolarHBondContact O-N 3.48Å; K269-H271 PolarHBondContact O-N 3.42Å; K269-H271 VanDerWaalsContact O-N 3.11Å; H271-G273 WeakPolarHBondContact CE1-CA 3.28Å; H271-G273 PolarHBondContact CE1-N 3.19Å; H271-G273 WeakPolarHBondContact NE2-CA 3.3Å; H271-G273 PolarHBondContact NE2-N 3.3Å; H271-R344 PolarHBondContact O-NE 2.82Å; H271-R344 PolarHBondContact O-NH2 2.89Å; H271-R344 VanDerWaalsContact O-NH2 3.15Å
272	Q	97.3	Very high	97.6	Very high	112 Å²	112	37.2 Å²	37.2	52%	0.523	18%	0.179	S	C	.	.			trans	-110	0.4	178.9	-55.1	-56.6	-40.1	0	0	112.9	D136 D270	D136-Q272 PolarHBondContact OD1-N 3.37Å; D270-Q272 PolarHBondContact O-N 3.48Å; D270-Q272 PolarHBondContact O-NE2 3.21Å
273	G	97.6	Very high	97.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	-70.9	-172.6	174.2	0	0	0	0	0	113.1	D136 H271	D136-G273 VanDerWaalsContact O-CA 3.3Å; D136-G273 WeakPolarHBondContact O-CA 3.38Å; H271-G273 WeakPolarHBondContact CE1-CA 3.28Å; H271-G273 PolarHBondContact CE1-N 3.19Å; H271-G273 WeakPolarHBondContact NE2-CA 3.3Å; H271-G273 PolarHBondContact NE2-N 3.3Å
274	L	98.5	Very high	97.7	Very high	19 Å²	19	32.9 Å²	32.9	10%	0.099	16%	0.155	C	C	.	.			trans	-93.2	142.4	173.9	-67.8	172.9	0	0	0	109.5	L138 V139 L292 K296 L309 A341 L342	L138-L274 HydrophobicContact CD1-CB 4.09Å; L138-L274 WeakPolarHBondContact CD1-O 3.22Å; V139-L274 PolarHBondContact N-O 2.85Å; V139-L274 VanDerWaalsContact N-O 3.11Å; L274-L292 HydrophobicContact CD1-CD1 4.22Å; L274-L292 HydrophobicContact CD1-CD2 4.23Å; L274-L292 HydrophobicContact CD1-CG 3.99Å; L274-K296 HydrophobicContact CD1-CB 4.16Å; L274-K296 HydrophobicContact CD1-CD 4Å; L274-K296 HydrophobicContact CD1-CG 4.25Å; L274-K296 HydrophobicContact CG-CD 4.24Å; L274-L309 HydrophobicContact CD1-CD1 3.83Å; L274-A341 HydrophobicContact CB-CB 4.39Å; L274-A341 HydrophobicContact CD1-CB 4.33Å; L274-L342 WeakPolarHBondContact CA-O 3.38Å
275	V	98.9	Very high	97.7	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.006	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	114.3	166.6	178.1	0	0	0	0	108	V139 V141 V261 W262 L277 A341 L342	V139-V275 HydrophobicContact CB-CG2 4.1Å; V139-V275 CarbonylContact O-C 3.57Å; V139-V275 WeakPolarHBondContact O-CA 3.42Å; V141-V275 HydrophobicContact CG2-CG1 3.56Å; V261-V275 HydrophobicContact CG1-CG1 4.16Å; V261-V275 HydrophobicContact CG1-CG2 4.48Å; W262-V275 HydrophobicContact CD2-CG2 4.21Å; W262-V275 HydrophobicContact CE3-CG2 4.39Å; W262-V275 HydrophobicContact CH2-CB 4.2Å; W262-V275 HydrophobicContact CH2-CG2 3.49Å; W262-V275 VanDerWaalsContact CH2-CG2 3.49Å; W262-V275 HydrophobicContact CZ2-CB 3.56Å; W262-V275 HydrophobicContact CZ2-CG2 3.27Å; W262-V275 HydrophobicContact CZ3-CG2 4.06Å; V275-L277 HydrophobicContact CG1-CD2 4.13Å; V275-A341 WeakPolarHBondContact O-CA 3.3Å; V275-L342 PolarHBondContact N-O 2.8Å; V275-L342 PolarHBondContact O-N 3.37Å
276	L	98.9	Very high	97.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	120.6	176.8	175.8	67.8	0	0	0	110.1	L138 V139 V140 V141 I278 F288 L311 G339 A341	L138-L276 HydrophobicContact CD1-CB 4.03Å; V139-L276 PolarHBondContact O-N 3.5Å; V140-L276 CarbonylContact C-O 3.56Å; V140-L276 WeakPolarHBondContact CA-O 3.32Å; V140-L276 HydrophobicContact CG1-CD2 4.37Å; V140-L276 HydrophobicContact CG2-CB 4.36Å; V140-L276 HydrophobicContact CG2-CD2 4.14Å; V141-L276 PolarHBondContact N-O 3.21Å; L276-I278 HydrophobicContact CD1-CG2 4.5Å; L276-I278 HydrophobicContact CD2-CG2 4.38Å; L276-I278 HydrophobicContact CG-CG2 4.14Å; L276-F288 HydrophobicContact CD2-CD2 4.07Å; L276-F288 HydrophobicContact CD2-CE2 3.82Å; L276-L311 HydrophobicContact CD1-CD1 3.9Å; L276-L311 HydrophobicContact CD1-CG 4.18Å; L276-L311 HydrophobicContact CD2-CD1 3.78Å; L276-L311 HydrophobicContact CG-CD1 4.5Å; L276-G339 VanDerWaalsContact CD1-C 3.42Å; L276-G339 WeakPolarHBondContact CD1-O 3.25Å; L276-A341 HydrophobicContact CD1-CB 4.21Å
277	L	98.8	Very high	97.7	Very high	12 Å²	12	25.8 Å²	25.8	6%	0.063	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	123.9	178	-56.4	175.6	0	0	0	110.2	V141 W254 L258 V275 G339 M340 L342	V141-L277 HydrophobicContact CB-CD2 4.02Å; V141-L277 HydrophobicContact CG2-CD2 4.41Å; W254-L277 HydrophobicContact CH2-CD1 4.35Å; W254-L277 HydrophobicContact CZ2-CD1 3.72Å; L258-L277 HydrophobicContact CD1-CD1 4.28Å; V275-L277 HydrophobicContact CG1-CD2 4.13Å; L277-G339 WeakPolarHBondContact O-CA 3.39Å; L277-G339 PolarHBondContact O-N 3.34Å; L277-M340 PolarHBondContact N-O 3.27Å; L277-M340 PolarHBondContact O-N 3.33Å; L277-L342 HydrophobicContact CD1-CD1 3.71Å; L277-L342 HydrophobicContact CD1-CG 4.3Å
278	I	98.7	Very high	97.8	Very high	4 Å²	4	23.7 Å²	23.7	2%	0.021	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	169.8	176.2	59.6	176.3	0	0	0	111.1	V140 V141 V142 Q143 L154 L276 H282 L284	V140-I278 HydrophobicContact CG1-CD1 3.49Å; V140-I278 VanDerWaalsContact CG1-CD1 3.49Å; V140-I278 HydrophobicContact CG1-CG1 3.91Å; V141-I278 PolarHBondContact O-N 2.98Å; V142-I278 CarbonylContact C-O 3.55Å; V142-I278 WeakPolarHBondContact CA-O 3.27Å; V142-I278 HydrophobicContact CB-CG1 4.38Å; V142-I278 HydrophobicContact CG1-CG1 4.49Å; V142-I278 HydrophobicContact CG2-CD1 3.98Å; V142-I278 HydrophobicContact CG2-CG1 3.91Å; Q143-I278 PolarHBondContact N-O 3.47Å; L154-I278 HydrophobicContact CD1-CD1 3.88Å; L154-I278 HydrophobicContact CD2-CD1 4.16Å; L276-I278 HydrophobicContact CD1-CG2 4.5Å; L276-I278 HydrophobicContact CD2-CG2 4.38Å; L276-I278 HydrophobicContact CG-CG2 4.14Å; I278-H282 HydrophobicContact CB-CB 4.49Å; I278-H282 WeakPolarHBondContact CB-ND1 3.05Å; I278-L284 HydrophobicContact CD1-CD1 4.03Å
279	E	98.6	Very high	97.8	Very high	50 Å²	50	23.8 Å²	23.8	23%	0.234	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	160.9	179.3	-57.1	-168.9	177.3	0	0	110.3	D281 H282 W365	E279-D281 PolarHBondContact O-N 2.88Å; E279-D281 VanDerWaalsContact O-N 3.08Å; E279-H282 PolarHBondContact N-ND1 2.93Å; E279-H282 VanDerWaalsContact N-ND1 3.16Å; E279-H282 WeakPolarHBondContact O-CB 3.4Å; E279-H282 PolarHBondContact O-N 2.99Å; E279-W365 WeakPolarHBondContact OE1-CZ2 3.25Å
280	E	97.8	Very high	97.9	Very high	5 Å²	5	19.5 Å²	19.5	2%	0.023	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-19.4	-175.6	66.2	-177.4	178.1	0	0	115	Q143 V144 H145 R147 Y150 L151	Q143-E280 PolarHBondContact O-N 3.2Å; V144-E280 WeakPolarHBondContact CG1-OE2 3.05Å; V144-E280 HydrophobicContact CG2-CB 4.5Å; H145-E280 PolarHBondContact N-OE2 3.24Å; R147-E280 WeakPolarHBondContact CB-OE1 3.39Å; R147-E280 WeakPolarHBondContact CG-OE1 3.43Å; R147-E280 IonicContact CZ-OE1 2.83Å; R147-E280 PolarHBondContact N-OE2 2.04Å; R147-E280 IonicContact NE-OE1 2.92Å; R147-E280 PolarHBondContact NE-OE1 3.32Å; R147-E280 IonicContact NH2-OE1 3.74Å; R147-E280 PolarHBondContact NH2-OE1 3.14Å; Y150-E280 CarbonylContact C-O 3.59Å; L151-E280 HydrophobicContact CB-CB 4.47Å; L151-E280 HydrophobicContact CD1-CB 4.18Å; L151-E280 PolarHBondContact N-O 2.75Å
281	D	96.1	Very high	98.1	Very high	5 Å²	5	15.3 Å²	15.3	3%	0.027	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	18.9	178.7	66.2	-16.6	0	0	0	114.3	R147 Y150 E279 H393 A394 G395	R147-D281 IonicContact CZ-OD2 3.64Å; R147-D281 IonicContact NH1-OD2 2.85Å; R147-D281 PolarHBondContact NH1-OD2 3.1Å; R147-D281 IonicContact NH2-OD1 2.93Å; R147-D281 PolarHBondContact NH2-OD1 2.84Å; R147-D281 IonicContact NH2-OD2 2.78Å; R147-D281 PolarHBondContact NH2-OD2 3.36Å; Y150-D281 HydrophobicContact CD1-CB 4.22Å; Y150-D281 HydrophobicContact CD2-CB 4.23Å; Y150-D281 HydrophobicContact CG-CB 3.86Å; E279-D281 PolarHBondContact O-N 2.88Å; E279-D281 VanDerWaalsContact O-N 3.08Å; D281-H393 IonicContact OD2-CD2 3.25Å; D281-H393 IonicContact OD2-CE1 3.62Å; D281-H393 IonicContact OD2-NE2 3.07Å; D281-H393 PolarHBondContact OD2-NE2 3.24Å; D281-A394 WeakPolarHBondContact O-CA 3.04Å; D281-A394 WeakPolarHBondContact O-CB 3.16Å; D281-A394 PolarHBondContact O-N 3.11Å; D281-G395 PolarHBondContact O-N 2.75Å
282	H	97.5	Very high	98.1	Very high	4 Å²	4	15.5 Å²	15.5	2%	0.019	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	154.8	162.7	-70	163.4	0	0	0	112.4	L154 I278 E279 M338 V391 F392	L154-H282 WeakPolarHBondContact CB-O 2.94Å; L154-H282 WeakPolarHBondContact CD1-O 3.03Å; I278-H282 HydrophobicContact CB-CB 4.49Å; I278-H282 WeakPolarHBondContact CB-ND1 3.05Å; E279-H282 PolarHBondContact N-ND1 2.93Å; E279-H282 VanDerWaalsContact N-ND1 3.16Å; E279-H282 WeakPolarHBondContact O-CB 3.4Å; E279-H282 PolarHBondContact O-N 2.99Å; H282-M338 WeakPolarHBondContact NE2-CG 3.45Å; H282-V391 HydrophobicContact CB-CG2 3.92Å; H282-F392 CarbonylContact C-O 3.17Å; H282-F392 VanDerWaalsContact CA-O 3.28Å; H282-F392 WeakPolarHBondContact CA-O 3.18Å
283	Y	97.1	Very high	98.1	Very high	6 Å²	6	16 Å²	16	2%	0.024	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	132.5	167.6	-169.2	-68.4	0	0	0	108	L153 S157 V391 F392 K412 I415 E416 L419	L153-Y283 HydrophobicContact CB-CD2 4.46Å; S157-Y283 VanDerWaalsContact CB-CE1 3.44Å; Y283-V391 CarbonylContact O-C 3.56Å; Y283-V391 WeakPolarHBondContact O-CA 3.28Å; Y283-F392 PolarHBondContact N-O 2.84Å; Y283-F392 PolarHBondContact O-N 3.17Å; Y283-K412 HydrophobicContact CE2-CG 4.33Å; Y283-I415 HydrophobicContact CD1-CG2 3.59Å; Y283-I415 HydrophobicContact CD2-CG2 4.49Å; Y283-I415 HydrophobicContact CE1-CG2 3.91Å; Y283-I415 HydrophobicContact CG-CD1 4.35Å; Y283-I415 HydrophobicContact CG-CG2 3.93Å; Y283-E416 WeakPolarHBondContact OH-CG 3.39Å; Y283-E416 PolarHBondContact OH-OE1 2.94Å; Y283-L419 HydrophobicContact CD1-CD1 4.29Å; Y283-L419 HydrophobicContact CE1-CD1 3.74Å
284	L	98.1	Very high	98.2	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	143.5	-178.2	-63.8	175.9	0	0	0	112.3	L154 S157 L158 I278 F288 L311 R390 V391	L154-L284 HydrophobicContact CD1-CG 4.43Å; S157-L284 PolarHBondContact OG-N 2.95Å; L158-L284 HydrophobicContact CD2-CD1 3.61Å; L158-L284 HydrophobicContact CG-CD1 4.29Å; I278-L284 HydrophobicContact CD1-CD1 4.03Å; L284-F288 HydrophobicContact CB-CD1 3.82Å; L284-F288 HydrophobicContact CB-CE1 4.19Å; L284-F288 HydrophobicContact CB-CG 4.26Å; L284-F288 HydrophobicContact CD1-CD1 4.03Å; L284-F288 HydrophobicContact CD1-CD2 4.23Å; L284-F288 HydrophobicContact CD1-CE1 3.75Å; L284-F288 HydrophobicContact CD1-CE2 3.99Å; L284-F288 HydrophobicContact CD1-CG 4.25Å; L284-F288 HydrophobicContact CD1-CZ 3.75Å; L284-F288 HydrophobicContact CG-CD1 4.46Å; L284-L311 HydrophobicContact CD2-CD1 3.88Å; L284-R390 WeakPolarHBondContact CA-O 3.49Å; L284-V391 HydrophobicContact CD2-CB 3.84Å; L284-V391 HydrophobicContact CD2-CG2 3.82Å
285	S	97.1	Very high	98.2	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.079	C	C	.	.			trans	-73.7	155.8	173.8	68.5	0	0	0	0	111.6	D287 F288 R390	S285-D287 PolarHBondContact O-N 3.3Å; S285-D287 PolarHBondContact OG-OD1 3.29Å; S285-F288 WeakPolarHBondContact O-CD1 3.36Å; S285-F288 PolarHBondContact O-N 3.3Å; S285-R390 PolarHBondContact N-O 3.28Å; S285-R390 WeakPolarHBondContact OG-CA 2.95Å; S285-R390 WeakPolarHBondContact OG-CB 3.36Å; S285-R390 WeakPolarHBondContact OG-CG 3.5Å
286	P	98.2	Very high	98.1	Very high	34 Å²	34	20.6 Å²	20.6	22%	0.221	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-22.5	-177.9	-28	35.3	0	0	0	115.9	A161 R162 L426 F427	A161-P286 WeakPolarHBondContact CA-O 3.25Å; R162-P286 PolarHBondContact N-O 3.5Å; P286-L426 HydrophobicContact CB-CD1 4.41Å; P286-L426 HydrophobicContact CG-CD1 4.2Å; P286-F427 HydrophobicContact CB-CZ 4.33Å; P286-F427 WeakPolarHBondContact O-CZ 3.11Å
287	D	98.4	Very high	98.1	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	10.2	-176.9	74.8	-26.4	0	0	0	114.6	S285 I289 H290 L291 R390 L426 F427	S285-D287 PolarHBondContact O-N 3.3Å; S285-D287 PolarHBondContact OG-OD1 3.29Å; D287-I289 VanDerWaalsContact C-N 3.29Å; D287-I289 PolarHBondContact O-N 2.97Å; D287-H290 HydrophobicContact CB-CB 4.49Å; D287-H290 WeakPolarHBondContact O-CB 3.39Å; D287-H290 PolarHBondContact O-N 2.78Å; D287-L291 PolarHBondContact O-N 2.91Å; D287-R390 IonicContact OD1-NE 2.86Å; D287-R390 PolarHBondContact OD1-NE 3.16Å; D287-R390 VanDerWaalsContact OD1-NE 3.07Å; D287-R390 IonicContact OD2-CZ 2.66Å; D287-R390 IonicContact OD2-NE 2.77Å; D287-R390 PolarHBondContact OD2-NE 3.47Å; D287-R390 IonicContact OD2-NH2 2.71Å; D287-R390 PolarHBondContact OD2-NH2 3.02Å; D287-L426 HydrophobicContact CB-CB 4.21Å; D287-F427 HydrophobicContact CB-CD1 3.58Å; D287-F427 HydrophobicContact CB-CD2 3.94Å; D287-F427 HydrophobicContact CB-CE1 3.5Å; D287-F427 HydrophobicContact CB-CE2 3.87Å; D287-F427 HydrophobicContact CB-CG 3.8Å; D287-F427 HydrophobicContact CB-CZ 3.66Å; D287-F427 PolarHBondContact OD2-N 3.37Å
288	F	98.7	Very high	98.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-58.6	-38.3	-171.5	84.3	-91	0	0	0	113.4	L138 V140 L158 A161 L276 L284 S285 L291 L292 L311 R390	L138-F288 HydrophobicContact CD2-CE2 4.05Å; V140-F288 HydrophobicContact CG2-CE2 4.47Å; L158-F288 HydrophobicContact CD2-CE1 4.06Å; L158-F288 HydrophobicContact CD2-CZ 3.95Å; A161-F288 HydrophobicContact CB-CD1 3.75Å; A161-F288 HydrophobicContact CB-CE1 3.4Å; L276-F288 HydrophobicContact CD2-CD2 4.07Å; L276-F288 HydrophobicContact CD2-CE2 3.82Å; L284-F288 HydrophobicContact CB-CD1 3.82Å; L284-F288 HydrophobicContact CB-CE1 4.19Å; L284-F288 HydrophobicContact CB-CG 4.26Å; L284-F288 HydrophobicContact CD1-CD1 4.03Å; L284-F288 HydrophobicContact CD1-CD2 4.23Å; L284-F288 HydrophobicContact CD1-CE1 3.75Å; L284-F288 HydrophobicContact CD1-CE2 3.99Å; L284-F288 HydrophobicContact CD1-CG 4.25Å; L284-F288 HydrophobicContact CD1-CZ 3.75Å; L284-F288 HydrophobicContact CG-CD1 4.46Å; S285-F288 WeakPolarHBondContact O-CD1 3.36Å; S285-F288 PolarHBondContact O-N 3.3Å; F288-L291 PolarHBondContact O-N 3.25Å; F288-L292 WeakPolarHBondContact O-CB 3.35Å; F288-L292 PolarHBondContact O-N 2.78Å; F288-L311 HydrophobicContact CB-CD1 4.2Å; F288-L311 HydrophobicContact CB-CD2 4.43Å; F288-L311 HydrophobicContact CD2-CD1 4.02Å; F288-L311 HydrophobicContact CG-CD1 4.48Å; F288-R390 HydrophobicContact CB-CB 3.97Å; F288-R390 HydrophobicContact CB-CG 4.32Å
289	I	98.6	Very high	98	Very high	4 Å²	4	23.7 Å²	23.7	2%	0.021	12%	0.115	C	C	.	.	H	α-helix	trans	-66.2	-43.9	177.6	-59.2	175.8	0	0	0	110.3	L138 V164 I167 D287 L292 K293	L138-I289 HydrophobicContact CD2-CG1 4.21Å; V164-I289 HydrophobicContact CB-CD1 4.23Å; I167-I289 HydrophobicContact CG2-CD1 3.85Å; D287-I289 VanDerWaalsContact C-N 3.29Å; D287-I289 PolarHBondContact O-N 2.97Å; I289-L292 PolarHBondContact O-N 2.81Å; I289-K293 HydrophobicContact CG2-CD 4.39Å; I289-K293 WeakPolarHBondContact O-CG 3.23Å; I289-K293 PolarHBondContact O-N 2.9Å
290	H	98.5	Very high	97.9	Very high	64 Å²	64	28.9 Å²	28.9	30%	0.296	13%	0.133	S	C	.	.	H	α-helix	trans	-62.3	-44.6	177.3	176.2	79.9	0	0	0	111.5	D287 K293 Q294 F427 P428	D287-H290 HydrophobicContact CB-CB 4.49Å; D287-H290 WeakPolarHBondContact O-CB 3.39Å; D287-H290 PolarHBondContact O-N 2.78Å; H290-K293 PolarHBondContact O-N 2.93Å; H290-Q294 PolarHBondContact CD2-NE2 3.17Å; H290-Q294 PolarHBondContact NE2-NE2 2.82Å; H290-Q294 PolarHBondContact O-N 2.97Å; H290-F427 HydrophobicContact CB-CD1 3.95Å; H290-F427 HydrophobicContact CB-CE1 4.29Å; H290-F427 AromaticContact CG-CD1 3.96Å; H290-P428 PolarHBondContact NE2-O 3.29Å
291	L	98.4	Very high	97.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.3	-49.4	175.2	-172	81.5	0	0	0	110.7	D287 F288 K293 Q294 M295 R390 P428 L431	D287-L291 PolarHBondContact O-N 2.91Å; F288-L291 PolarHBondContact O-N 3.25Å; L291-K293 VanDerWaalsContact C-N 3.31Å; L291-K293 PolarHBondContact O-N 2.73Å; L291-Q294 PolarHBondContact O-N 2.98Å; L291-Q294 VanDerWaalsContact O-N 3.09Å; L291-M295 HydrophobicContact CD2-SD 3.76Å; L291-M295 HydrophobicContact CG-CG 4.22Å; L291-M295 HydrophobicContact CG-SD 3.92Å; L291-M295 WeakPolarHBondContact O-CG 3.35Å; L291-M295 PolarHBondContact O-N 3.02Å; L291-R390 HydrophobicContact CB-CG 4.1Å; L291-R390 HydrophobicContact CD2-CB 4.15Å; L291-R390 HydrophobicContact CD2-CG 3.53Å; L291-R390 HydrophobicContact CG-CG 4.34Å; L291-P428 HydrophobicContact CD1-CG 4.35Å; L291-L431 HydrophobicContact CD1-CD1 3.86Å; L291-L431 HydrophobicContact CD1-CD2 3.67Å; L291-L431 HydrophobicContact CD1-CG 4.37Å; L291-L431 HydrophobicContact CG-CD1 4.42Å
292	L	98.4	Very high	97.9	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.026	18%	0.181	C	C	.	.	H	α-helix	trans	-63.3	-36.9	-176.1	-167.9	64.7	0	0	0	112.3	L138 L274 F288 I289 M295 K296 L309 L311 A341	L138-L292 HydrophobicContact CD1-CD2 3.53Å; L138-L292 HydrophobicContact CD2-CD2 3.96Å; L138-L292 HydrophobicContact CG-CD2 4.41Å; L274-L292 HydrophobicContact CD1-CD1 4.22Å; L274-L292 HydrophobicContact CD1-CD2 4.23Å; L274-L292 HydrophobicContact CD1-CG 3.99Å; F288-L292 WeakPolarHBondContact O-CB 3.35Å; F288-L292 PolarHBondContact O-N 2.78Å; I289-L292 PolarHBondContact O-N 2.81Å; L292-M295 PolarHBondContact O-N 3.23Å; L292-K296 WeakPolarHBondContact O-CB 3.45Å; L292-K296 PolarHBondContact O-N 3.26Å; L292-L309 HydrophobicContact CD1-CB 3.97Å; L292-L309 HydrophobicContact CD1-CD1 3.77Å; L292-L311 HydrophobicContact CB-CD2 4.37Å; L292-L311 HydrophobicContact CD1-CD2 4.32Å; L292-A341 HydrophobicContact CD1-CB 3.82Å; L292-A341 HydrophobicContact CD2-CB 4.13Å
293	K	98.1	Very high	97.8	Very high	122 Å²	122	39 Å²	39	53%	0.53	18%	0.18	S	C	.	.	H	α-helix	trans	-59.9	-45.3	172.4	-75.4	178.7	179.3	-177.4	0	111.6	I289 H290 L291 K296 A297	I289-K293 HydrophobicContact CG2-CD 4.39Å; I289-K293 WeakPolarHBondContact O-CG 3.23Å; I289-K293 PolarHBondContact O-N 2.9Å; H290-K293 PolarHBondContact O-N 2.93Å; L291-K293 VanDerWaalsContact C-N 3.31Å; L291-K293 PolarHBondContact O-N 2.73Å; K293-K296 PolarHBondContact O-N 2.81Å; K293-A297 PolarHBondContact O-N 3.05Å; K293-A297 VanDerWaalsContact O-N 3.14Å
294	Q	98.4	Very high	97.7	Very high	30 Å²	30	44.5 Å²	44.5	14%	0.14	21%	0.214	C	C	.	.	H	α-helix	trans	-67.2	-41	175.9	-73.5	-175.2	87.4	0	0	112.8	H290 L291 K296 A297 L298 P428 K429 L431	H290-Q294 PolarHBondContact CD2-NE2 3.17Å; H290-Q294 PolarHBondContact NE2-NE2 2.82Å; H290-Q294 PolarHBondContact O-N 2.97Å; L291-Q294 PolarHBondContact O-N 2.98Å; L291-Q294 VanDerWaalsContact O-N 3.09Å; Q294-K296 VanDerWaalsContact C-N 3.31Å; Q294-K296 PolarHBondContact O-N 2.99Å; Q294-A297 PolarHBondContact O-N 3.46Å; Q294-L298 WeakPolarHBondContact O-CB 3.25Å; Q294-L298 PolarHBondContact O-N 3.16Å; Q294-P428 PolarHBondContact NE2-O 3.11Å; Q294-P428 PolarHBondContact OE1-O 3.24Å; Q294-K429 VanDerWaalsContact OE1-C 3.22Å; Q294-K429 PolarHBondContact OE1-O 3.37Å; Q294-K429 VanDerWaalsContact OE1-O 3.12Å; Q294-L431 HydrophobicContact CB-CD1 3.53Å; Q294-L431 HydrophobicContact CB-CG 3.82Å
295	M	98.6	Very high	97.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62	-39.1	176	-68.7	177	76.8	0	0	111.5	L291 L292 L298 K299 L309 V326 M384 L431	L291-M295 HydrophobicContact CD2-SD 3.76Å; L291-M295 HydrophobicContact CG-CG 4.22Å; L291-M295 HydrophobicContact CG-SD 3.92Å; L291-M295 WeakPolarHBondContact O-CG 3.35Å; L291-M295 PolarHBondContact O-N 3.02Å; L292-M295 PolarHBondContact O-N 3.23Å; M295-L298 PolarHBondContact O-N 3.08Å; M295-K299 VanDerWaalsContact O-CB 3.24Å; M295-K299 WeakPolarHBondContact O-CB 3.23Å; M295-K299 PolarHBondContact O-N 3.07Å; M295-L309 HydrophobicContact CB-CD1 3.91Å; M295-L309 HydrophobicContact CB-CD2 4.37Å; M295-L309 HydrophobicContact CE-CB 4.15Å; M295-V326 HydrophobicContact CE-CG1 4.25Å; M295-V326 HydrophobicContact CG-CG1 4.15Å; M295-V326 HydrophobicContact SD-CG1 4.47Å; M295-M384 HydrophobicContact CB-SD 4.12Å; M295-M384 HydrophobicContact CE-CB 4.25Å; M295-M384 HydrophobicContact CE-CG 3.85Å; M295-M384 WeakPolarHBondContact CE-O 3.24Å; M295-M384 HydrophobicContact CE-SD 4.28Å; M295-M384 HydrophobicContact CG-SD 4.36Å; M295-L431 HydrophobicContact CB-CD1 4.44Å; M295-L431 HydrophobicContact CG-CD1 3.54Å
296	K	98.2	Very high	97.3	Very high	86 Å²	86	47.9 Å²	47.9	37%	0.374	23%	0.232	S	C	.	.	H	α-helix	trans	-62.1	-44.1	174.5	-173.9	-180	-178.8	177.3	0	111.7	L274 L292 K293 Q294 R300 L309	L274-K296 HydrophobicContact CD1-CB 4.16Å; L274-K296 HydrophobicContact CD1-CD 4Å; L274-K296 HydrophobicContact CD1-CG 4.25Å; L274-K296 HydrophobicContact CG-CD 4.24Å; L292-K296 WeakPolarHBondContact O-CB 3.45Å; L292-K296 PolarHBondContact O-N 3.26Å; K293-K296 PolarHBondContact O-N 2.81Å; Q294-K296 VanDerWaalsContact C-N 3.31Å; Q294-K296 PolarHBondContact O-N 2.99Å; K296-R300 PolarHBondContact O-N 3.04Å; K296-L309 HydrophobicContact CB-CD1 4.36Å
297	A	97.9	Very high	97.3	Very high	29 Å²	29	47 Å²	47	24%	0.24	23%	0.226	C	C	.	.	H	α-helix	trans	-64.3	-48.3	176.2	0	0	0	0	0	111.6	K293 Q294 K299 R300 E301	K293-A297 PolarHBondContact O-N 3.05Å; K293-A297 VanDerWaalsContact O-N 3.14Å; Q294-A297 PolarHBondContact O-N 3.46Å; A297-K299 VanDerWaalsContact C-N 3.33Å; A297-K299 PolarHBondContact O-N 3.36Å; A297-R300 WeakPolarHBondContact O-CB 3.36Å; A297-R300 PolarHBondContact O-N 3.34Å; A297-R300 VanDerWaalsContact O-N 3.11Å; A297-E301 PolarHBondContact O-N 3.19Å; A297-E301 VanDerWaalsContact O-N 3.1Å
298	L	98.1	Very high	97.2	Very high	11 Å²	11	47 Å²	47	6%	0.058	23%	0.226	C	C	.	.	H	α-helix	trans	-63.4	-36.7	178.8	-172.4	65.1	0	0	0	112.6	Q294 M295 E301 Q302 V326 M384 L431 I433	Q294-L298 WeakPolarHBondContact O-CB 3.25Å; Q294-L298 PolarHBondContact O-N 3.16Å; M295-L298 PolarHBondContact O-N 3.08Å; L298-E301 PolarHBondContact O-N 2.99Å; L298-Q302 HydrophobicContact CD1-CB 4.25Å; L298-Q302 HydrophobicContact CD1-CG 4.01Å; L298-Q302 PolarHBondContact O-N 3.2Å; L298-V326 HydrophobicContact CD2-CG2 3.74Å; L298-M384 HydrophobicContact CB-CE 4.46Å; L298-M384 HydrophobicContact CD2-CE 4.35Å; L298-M384 HydrophobicContact CD2-SD 4.19Å; L298-M384 HydrophobicContact CG-CE 4.2Å; L298-L431 HydrophobicContact CD2-CB 3.79Å; L298-I433 HydrophobicContact CD2-CD1 4.32Å; L298-I433 HydrophobicContact CD2-CG1 3.76Å; L298-I433 HydrophobicContact CG-CD1 4.22Å; L298-I433 HydrophobicContact CG-CG1 4.18Å
299	K	97.6	Very high	97.2	Very high	41 Å²	41	47.1 Å²	47.1	18%	0.178	23%	0.226	C	C	.	.	H	α-helix	trans	-56.9	-50.6	171.4	170.5	-179.7	160.2	165.3	0	110.4	M295 A297 E301 C303 T304 C306 L309 M384	M295-K299 VanDerWaalsContact O-CB 3.24Å; M295-K299 WeakPolarHBondContact O-CB 3.23Å; M295-K299 PolarHBondContact O-N 3.07Å; A297-K299 VanDerWaalsContact C-N 3.33Å; A297-K299 PolarHBondContact O-N 3.36Å; K299-E301 VanDerWaalsContact C-N 3.25Å; K299-E301 PolarHBondContact O-N 2.93Å; K299-C303 WeakPolarHBondContact CG-O 3.39Å; K299-C303 CarbonylContact O-C 3.53Å; K299-C303 WeakPolarHBondContact O-CA 3.13Å; K299-C303 PolarHBondContact O-N 3.29Å; K299-C303 VanDerWaalsContact O-O 3.1Å; K299-T304 PolarHBondContact O-N 2.99Å; K299-C306 HydrophobicContact CD-CB 4.25Å; K299-C306 WeakPolarHBondContact CE-O 3.31Å; K299-C306 HydrophobicContact CG-CB 4.15Å; K299-C306 PolarHBondContact NZ-O 2.73Å; K299-L309 HydrophobicContact CB-CD2 4.2Å; K299-L309 HydrophobicContact CD-CD2 4.06Å; K299-M384 HydrophobicContact CB-CE 4.12Å
300	R	96.7	Very high	97.2	Very high	160 Å²	160	47 Å²	47	60%	0.604	23%	0.225	S	C	*	.	H	α-helix	trans	-60.4	-35.8	-179.9	-177.6	-176.4	60.4	-122.3	-9.9	112.4	K296 A297	K296-R300 PolarHBondContact O-N 3.04Å; A297-R300 WeakPolarHBondContact O-CB 3.36Å; A297-R300 PolarHBondContact O-N 3.34Å; A297-R300 VanDerWaalsContact O-N 3.11Å
301	E	96.6	Very high	97.1	Very high	124 Å²	124	43.9 Å²	43.9	58%	0.579	21%	0.211	S	C	*	.	H	α-helix	trans	-87.6	-36.4	-175.1	-71	162.2	-153.9	0	0	113.6	A297 L298 K299	A297-E301 PolarHBondContact O-N 3.19Å; A297-E301 VanDerWaalsContact O-N 3.1Å; L298-E301 PolarHBondContact O-N 2.99Å; K299-E301 VanDerWaalsContact C-N 3.25Å; K299-E301 PolarHBondContact O-N 2.93Å
302	Q	96.8	Very high	96.9	Very high	102 Å²	102	43.9 Å²	43.9	48%	0.477	21%	0.211	S	C	.	.	H	α-helix	trans	-133.8	-4.4	-166.7	-57.3	-172.7	26.5	0	0	114.6	L298 I433 R436	L298-Q302 HydrophobicContact CD1-CB 4.25Å; L298-Q302 HydrophobicContact CD1-CG 4.01Å; L298-Q302 PolarHBondContact O-N 3.2Å; Q302-I433 HydrophobicContact CB-CD1 3.87Å; Q302-R436 PolarHBondContact O-NH1 3.43Å; Q302-R436 PolarHBondContact O-NH2 2.95Å
303	C	95.2	Very high	96.5	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.007	22%	0.215	C	C	.	.			trans	-145.2	61.1	176.5	-162.2	0	0	0	0	111.2	K299 D305 C306 V328 M384	K299-C303 WeakPolarHBondContact CG-O 3.39Å; K299-C303 CarbonylContact O-C 3.53Å; K299-C303 WeakPolarHBondContact O-CA 3.13Å; K299-C303 PolarHBondContact O-N 3.29Å; K299-C303 VanDerWaalsContact O-O 3.1Å; C303-D305 PolarHBondContact O-N 3.03Å; C303-D305 VanDerWaalsContact O-N 3.13Å; C303-D305 PolarHBondContact SG-OD1 2.9Å; C303-D305 VanDerWaalsContact SG-OD1 3.35Å; C303-C306 HydrophobicContact CB-CB 3.85Å; C303-C306 WeakPolarHBondContact CB-SG 3.49Å; C303-C306 WeakPolarHBondContact O-CB 3.47Å; C303-C306 PolarHBondContact O-N 3.41Å; C303-C306 WeakPolarHBondContact SG-CB 3.35Å; C303-C306 PolarHBondContact SG-N 2.79Å; C303-C306 CovalentContact SG-SG 2.03Å; C303-C306 PolarHBondContact SG-SG 2.83Å; C303-V328 HydrophobicContact CB-CG2 4.41Å; C303-M384 HydrophobicContact CB-CE 3.73Å
304	T	94.4	Very high	95.9	Very high	120 Å²	120	43.3 Å²	43.3	74%	0.736	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.8	-179.2	53.6	0	0	0	0	112.7	K299	K299-T304 PolarHBondContact O-N 2.99Å
305	D	92.1	Very high	94.5	Very high	71 Å²	71	44.5 Å²	44.5	38%	0.38	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	2.9	176.2	65.9	-29.3	0	0	0	114	C303 K382	C303-D305 PolarHBondContact O-N 3.03Å; C303-D305 VanDerWaalsContact O-N 3.13Å; C303-D305 PolarHBondContact SG-OD1 2.9Å; C303-D305 VanDerWaalsContact SG-OD1 3.35Å; D305-K382 WeakPolarHBondContact OD2-CD 3.35Å; D305-K382 WeakPolarHBondContact OD2-CE 3.33Å; D305-K382 IonicContact OD2-NZ 2.61Å; D305-K382 PolarHBondContact OD2-NZ 2.88Å
306	C	96	Very high	92.6	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.014	25%	0.254	C	S	.	.			trans	-74.4	121.6	170.3	-80.6	0	0	0	0	110.3	K299 C303	K299-C306 HydrophobicContact CD-CB 4.25Å; K299-C306 WeakPolarHBondContact CE-O 3.31Å; K299-C306 HydrophobicContact CG-CB 4.15Å; K299-C306 PolarHBondContact NZ-O 2.73Å; C303-C306 HydrophobicContact CB-CB 3.85Å; C303-C306 WeakPolarHBondContact CB-SG 3.49Å; C303-C306 WeakPolarHBondContact O-CB 3.47Å; C303-C306 PolarHBondContact O-N 3.41Å; C303-C306 WeakPolarHBondContact SG-CB 3.35Å; C303-C306 PolarHBondContact SG-N 2.79Å; C303-C306 CovalentContact SG-SG 2.03Å; C303-C306 PolarHBondContact SG-SG 2.83Å
307	D	96.8	Very high	91	Very high	15 Å²	15	50 Å²	50	8%	0.08	25%	0.248	C	C	.	.			trans	-81.2	-37.6	179.1	-58	-79.6	0	0	0	112.8	T346 K349 W381 K382	D307-T346 HydrophobicContact CB-CG2 4.34Å; D307-T346 PolarHBondContact O-OG1 2.74Å; D307-K349 IonicContact OD1-NZ 2.73Å; D307-W381 HydrophobicContact CB-CB 4.4Å; D307-W381 VanDerWaalsContact CB-CD1 3.48Å; D307-W381 HydrophobicContact CB-CG 4.05Å; D307-W381 WeakPolarHBondContact OD2-CA 3.33Å; D307-K382 PolarHBondContact N-O 2.99Å; D307-K382 PolarHBondContact OD2-N 2.7Å
308	I	97.1	Very high	90	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	149.8	-169.7	-61.9	-173.8	0	0	0	111.2	M340 L342 T346 W381 K382 V383 M384	I308-M340 HydrophobicContact CD1-CE 3.64Å; I308-M340 HydrophobicContact CG2-CB 4.36Å; I308-M340 HydrophobicContact CG2-CE 4.44Å; I308-L342 HydrophobicContact CD1-CD2 3.51Å; I308-L342 HydrophobicContact CG1-CD2 3.68Å; I308-L342 HydrophobicContact CG2-CD2 4.36Å; I308-T346 HydrophobicContact CD1-CG2 4.34Å; I308-T346 HydrophobicContact CG1-CG2 3.92Å; I308-W381 HydrophobicContact CD1-CD2 3.43Å; I308-W381 VanDerWaalsContact CD1-CD2 3.43Å; I308-W381 HydrophobicContact CD1-CE3 3.24Å; I308-W381 HydrophobicContact CD1-CG 4.19Å; I308-W381 HydrophobicContact CD1-CH2 3.44Å; I308-W381 VanDerWaalsContact CD1-CH2 3.44Å; I308-W381 HydrophobicContact CD1-CZ2 3.63Å; I308-W381 HydrophobicContact CD1-CZ3 3.27Å; I308-W381 HydrophobicContact CG1-CD2 4.22Å; I308-W381 HydrophobicContact CG1-CE3 4.42Å; I308-K382 PolarHBondContact N-O 3.27Å; I308-V383 HydrophobicContact CB-CG2 4.39Å; I308-V383 HydrophobicContact CG2-CG2 4.2Å; I308-V383 WeakPolarHBondContact O-CA 3.48Å; I308-M384 PolarHBondContact O-N 2.86Å
309	L	98.6	Very high	89.5	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.01	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	139.9	164.3	-46.9	177.3	0	0	0	109.3	L274 L292 M295 K296 K299 A341 M384	L274-L309 HydrophobicContact CD1-CD1 3.83Å; L292-L309 HydrophobicContact CD1-CB 3.97Å; L292-L309 HydrophobicContact CD1-CD1 3.77Å; M295-L309 HydrophobicContact CB-CD1 3.91Å; M295-L309 HydrophobicContact CB-CD2 4.37Å; M295-L309 HydrophobicContact CE-CB 4.15Å; K296-L309 HydrophobicContact CB-CD1 4.36Å; K299-L309 HydrophobicContact CB-CD2 4.2Å; K299-L309 HydrophobicContact CD-CD2 4.06Å; L309-A341 HydrophobicContact CB-CB 4.25Å; L309-A341 PolarHBondContact N-O 3.46Å; L309-A341 PolarHBondContact O-N 3.16Å; L309-M384 CarbonylContact C-O 3.51Å; L309-M384 WeakPolarHBondContact CA-O 3.47Å; L309-M384 HydrophobicContact CD2-CB 3.76Å; L309-M384 HydrophobicContact CD2-CG 4.48Å; L309-M384 HydrophobicContact CD2-SD 4.26Å
310	S	97.9	Very high	89	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	133.8	172.9	170.1	0	0	0	0	110.5	G312 M338 G339 M384 V385 S386	S310-G312 PolarHBondContact O-N 3.42Å; S310-G312 PolarHBondContact OG-N 3.44Å; S310-G312 PolarHBondContact OG-O 3.33Å; S310-G312 VanDerWaalsContact OG-O 3.09Å; S310-M338 PolarHBondContact OG-O 2.94Å; S310-G339 WeakPolarHBondContact CA-O 3.42Å; S310-M384 PolarHBondContact N-O 3.13Å; S310-V385 WeakPolarHBondContact O-CA 3.46Å; S310-S386 PolarHBondContact O-N 3.18Å
311	L	97.8	Very high	88.6	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.277	C	S	.	.	S	Bend	trans	-67.9	-14.1	177.1	-69	-179.1	0	0	0	113	L276 L284 F288 L292 G339 S386 P389 R390 V391	L276-L311 HydrophobicContact CD1-CD1 3.9Å; L276-L311 HydrophobicContact CD1-CG 4.18Å; L276-L311 HydrophobicContact CD2-CD1 3.78Å; L276-L311 HydrophobicContact CG-CD1 4.5Å; L284-L311 HydrophobicContact CD2-CD1 3.88Å; F288-L311 HydrophobicContact CB-CD1 4.2Å; F288-L311 HydrophobicContact CB-CD2 4.43Å; F288-L311 HydrophobicContact CD2-CD1 4.02Å; F288-L311 HydrophobicContact CG-CD1 4.48Å; L292-L311 HydrophobicContact CB-CD2 4.37Å; L292-L311 HydrophobicContact CD1-CD2 4.32Å; L311-G339 PolarHBondContact N-O 2.83Å; L311-G339 VanDerWaalsContact N-O 3.09Å; L311-S386 WeakPolarHBondContact O-CB 3.41Å; L311-P389 CarbonylContact O-C 3.58Å; L311-P389 WeakPolarHBondContact O-CA 3.03Å; L311-R390 HydrophobicContact CB-CB 4.06Å; L311-R390 HydrophobicContact CD2-CB 4.13Å; L311-R390 PolarHBondContact O-N 2.91Å; L311-V391 HydrophobicContact CB-CB 3.94Å; L311-V391 HydrophobicContact CB-CG1 3.64Å; L311-V391 HydrophobicContact CD1-CB 4.4Å
312	G	93.4	Very high	88.4	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.262	C	S	.	.			trans	160.2	175.9	174.5	0	0	0	0	0	113.8	S310	S310-G312 PolarHBondContact O-N 3.42Å; S310-G312 PolarHBondContact OG-N 3.44Å; S310-G312 PolarHBondContact OG-O 3.33Å; S310-G312 VanDerWaalsContact OG-O 3.09Å
313	S	90.8	Very high	88.3	Confident	15 Å²	15	41.4 Å²	41.4	11%	0.105	24%	0.242	C	C	.	.			trans	-112	166.6	175	-59.1	0	0	0	0	111.9	S315 E335	S313-S315 PolarHBondContact O-N 3.01Å; S313-E335 WeakPolarHBondContact CA-O 3.47Å; S313-E335 WeakPolarHBondContact CB-O 3.33Å; S313-E335 PolarHBondContact OG-O 2.93Å
314	Y	84.5	Confident	88.4	Confident	99 Å²	99	44 Å²	44	39%	0.388	26%	0.256	S	S	.	.	S	Bend	trans	-63	-9.7	-179.7	-67.3	-86	0	0	0	115.3	H316 T334 N337 M338 H393	Y314-H316 PolarHBondContact O-N 3.49Å; Y314-T334 VanDerWaalsContact CD2-O 3.29Å; Y314-T334 WeakPolarHBondContact CD2-O 3.18Å; Y314-N337 WeakPolarHBondContact CE2-OD1 3.44Å; Y314-N337 PolarHBondContact OH-ND2 3.21Å; Y314-N337 PolarHBondContact OH-OD1 3.37Å; Y314-M338 HydrophobicContact CD1-CE 3.53Å; Y314-M338 HydrophobicContact CD1-SD 3.61Å; Y314-M338 HydrophobicContact CD2-CE 3.77Å; Y314-M338 HydrophobicContact CD2-SD 4.43Å; Y314-M338 HydrophobicContact CE1-CE 3.74Å; Y314-M338 HydrophobicContact CE1-CG 3.94Å; Y314-M338 HydrophobicContact CE1-SD 3.22Å; Y314-M338 WeakPolarHBondContact CE1-SD 3.36Å; Y314-M338 HydrophobicContact CE2-CE 3.96Å; Y314-M338 HydrophobicContact CE2-CG 3.98Å; Y314-M338 HydrophobicContact CE2-SD 4.11Å; Y314-M338 HydrophobicContact CG-CE 3.55Å; Y314-M338 HydrophobicContact CG-SD 4.21Å; Y314-M338 WeakPolarHBondContact OH-CG 3.3Å; Y314-H393 HydrophobicContact CD1-CB 4.24Å; Y314-H393 HydrophobicContact CE1-CB 3.95Å
315	S	68.7	Low	88.5	Confident	55 Å²	55	41.1 Å²	41.1	39%	0.385	23%	0.233	S	C	.	.	S	Bend	trans	-65.2	128.3	-177.7	55	0	0	0	0	111.9	S313 I317	S313-S315 PolarHBondContact O-N 3.01Å; S315-I317 VanDerWaalsContact C-N 3.31Å; S315-I317 PolarHBondContact O-N 2.69Å; S315-I317 WeakPolarHBondContact OG-CD1 3.34Å; S315-I317 WeakPolarHBondContact OG-CG1 3.28Å
316	H	60.1	Low	88.7	Confident	156 Å²	156	37.8 Å²	37.8	72%	0.722	22%	0.215	S	C	*	.			trans	-67.9	89.3	168.1	-68.2	-47.8	0	0	0	109.9	Y314 K414	Y314-H316 PolarHBondContact O-N 3.49Å; H316-K414 PolarHBondContact CE1-NZ 2.77Å; H316-K414 PolarHBondContact NE2-NZ 2.78Å
317	I	64.3	Low	88.7	Confident	46 Å²	46	38.4 Å²	38.4	24%	0.236	22%	0.218	C	C	.	.			trans	-111.8	124.3	178.8	-67.4	178.6	0	0	0	108.5	S315 K322 E387	S315-I317 VanDerWaalsContact C-N 3.31Å; S315-I317 PolarHBondContact O-N 2.69Å; S315-I317 WeakPolarHBondContact OG-CD1 3.34Å; S315-I317 WeakPolarHBondContact OG-CG1 3.28Å; I317-K322 HydrophobicContact CG2-CD 3.16Å; I317-K322 HydrophobicContact CG2-CG 4.48Å; I317-K322 VanDerWaalsContact CG2-NZ 3.27Å; I317-E387 WeakPolarHBondContact CG2-O 3.33Å
318	G	76	Confident	88.7	Confident	52 Å²	52	38 Å²	38	54%	0.536	22%	0.216	S	C	.	.			trans	-61.5	143.6	170.4	0	0	0	0	0	110.9	S320	G318-S320 PolarHBondContact O-N 2.66Å
319	Y	88.5	Confident	88.6	Confident	1 Å²	1	39.9 Å²	39.9	0%	0.004	22%	0.224	C	C	.	.	S	Bend	trans	-67.7	-24.1	-179.4	-85.3	-119.9	0	0	0	112.9	S321 K322 A323 A388 P389 F392 I418 S422 Q425 L426	Y319-S321 PolarHBondContact O-N 2.61Å; Y319-K322 PolarHBondContact O-N 3.12Å; Y319-A323 HydrophobicContact CD1-CB 3.91Å; Y319-A323 PolarHBondContact O-N 3.3Å; Y319-A388 HydrophobicContact CD1-CB 4.05Å; Y319-A388 HydrophobicContact CD2-CB 4.13Å; Y319-A388 HydrophobicContact CE1-CB 4.18Å; Y319-A388 HydrophobicContact CE2-CB 4.27Å; Y319-A388 HydrophobicContact CG-CB 4.02Å; Y319-P389 PolarHBondContact OH-O 2.78Å; Y319-F392 HydrophobicContact CE2-CZ 4.2Å; Y319-I418 HydrophobicContact CD2-CG2 4.23Å; Y319-I418 HydrophobicContact CE2-CG2 4.14Å; Y319-S422 WeakPolarHBondContact CB-OG 3.49Å; Y319-Q425 PolarHBondContact O-OE1 3.24Å; Y319-L426 HydrophobicContact CD1-CD2 3.93Å; Y319-L426 HydrophobicContact CE1-CD2 3.32Å
320	S	87.1	Confident	88.4	Confident	87 Å²	87	40.4 Å²	40.4	61%	0.608	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50	121.4	-178.9	-171.6	0	0	0	0	111.5	G318 K322 Q425	G318-S320 PolarHBondContact O-N 2.66Å; S320-K322 PolarHBondContact O-N 3.4Å; S320-K322 VanDerWaalsContact O-N 3.16Å; S320-Q425 VanDerWaalsContact N-OE1 3.13Å
321	S	87.5	Confident	88.3	Confident	77 Å²	77	40.6 Å²	40.6	54%	0.538	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	7.5	-177.7	78.1	0	0	0	0	116.3	Y319 K325	Y319-S321 PolarHBondContact O-N 2.61Å; S321-K325 WeakPolarHBondContact O-CD 3.43Å; S321-K325 WeakPolarHBondContact O-CE 3.47Å; S321-K325 PolarHBondContact O-NZ 2.95Å
322	K	93.3	Very high	88.1	Confident	62 Å²	62	43.7 Å²	43.7	27%	0.27	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.7	-16.3	-173.1	-67.2	-176.1	176.6	-173.3	0	114.8	I317 Y319 S320 N324 K325 E387 A388	I317-K322 HydrophobicContact CG2-CD 3.16Å; I317-K322 HydrophobicContact CG2-CG 4.48Å; I317-K322 VanDerWaalsContact CG2-NZ 3.27Å; Y319-K322 PolarHBondContact O-N 3.12Å; S320-K322 PolarHBondContact O-N 3.4Å; S320-K322 VanDerWaalsContact O-N 3.16Å; K322-N324 PolarHBondContact O-N 3.28Å; K322-K325 PolarHBondContact O-N 2.99Å; K322-E387 HydrophobicContact CB-CB 4.09Å; K322-E387 HydrophobicContact CD-CB 4.48Å; K322-E387 HydrophobicContact CG-CB 4.46Å; K322-A388 HydrophobicContact CB-CB 4.27Å
323	A	94.2	Very high	88.1	Confident	7 Å²	7	43.7 Å²	43.7	6%	0.058	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-25.2	-175	0	0	0	0	0	114.9	Y319 R390 Q425	Y319-A323 HydrophobicContact CD1-CB 3.91Å; Y319-A323 PolarHBondContact O-N 3.3Å; A323-R390 PolarHBondContact O-NH1 3Å; A323-R390 PolarHBondContact O-NH2 3.29Å; A323-Q425 HydrophobicContact CB-CB 3.68Å; A323-Q425 WeakPolarHBondContact CB-O 3.31Å
324	N	96.6	Very high	88.2	Confident	57 Å²	57	45.6 Å²	45.6	31%	0.305	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	15.3	177.5	75	-40.5	0	0	0	114	K322 P428 L431 L432	K322-N324 PolarHBondContact O-N 3.28Å; N324-P428 HydrophobicContact CB-CB 3.55Å; N324-P428 HydrophobicContact CB-CG 4.35Å; N324-L431 HydrophobicContact CB-CD2 4.46Å; N324-L431 WeakPolarHBondContact O-CA 3.1Å; N324-L432 PolarHBondContact O-N 3.05Å
325	K	96.8	Very high	88.5	Confident	59 Å²	59	43.9 Å²	43.9	26%	0.257	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	143.2	-175.2	-67.7	178.3	174.1	165.6	0	111.8	S321 K322 E387 L432 T434	S321-K325 WeakPolarHBondContact O-CD 3.43Å; S321-K325 WeakPolarHBondContact O-CE 3.47Å; S321-K325 PolarHBondContact O-NZ 2.95Å; K322-K325 PolarHBondContact O-N 2.99Å; K325-E387 HydrophobicContact CB-CB 4.1Å; K325-E387 HydrophobicContact CB-CG 3.98Å; K325-E387 WeakPolarHBondContact CB-OE1 3.43Å; K325-E387 PolarHBondContact O-N 3.4Å; K325-L432 WeakPolarHBondContact CA-O 3.03Å; K325-T434 HydrophobicContact CB-CG2 3.87Å; K325-T434 HydrophobicContact CD-CG2 3.51Å; K325-T434 HydrophobicContact CG-CG2 3.58Å
326	V	97.1	Very high	89.8	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	153.4	172.3	-58.8	0	0	0	0	110	M295 L298 M384 V385 L431 L432 I433 T434	M295-V326 HydrophobicContact CE-CG1 4.25Å; M295-V326 HydrophobicContact CG-CG1 4.15Å; M295-V326 HydrophobicContact SD-CG1 4.47Å; L298-V326 HydrophobicContact CD2-CG2 3.74Å; V326-M384 HydrophobicContact CB-CG 3.96Å; V326-M384 HydrophobicContact CB-SD 4.49Å; V326-M384 HydrophobicContact CG2-CG 3.87Å; V326-M384 HydrophobicContact CG2-SD 3.96Å; V326-V385 CarbonylContact C-O 3.6Å; V326-V385 WeakPolarHBondContact CA-O 3.5Å; V326-V385 WeakPolarHBondContact CB-O 3.22Å; V326-L431 HydrophobicContact CG1-CD1 4.06Å; V326-L432 PolarHBondContact N-O 3.28Å; V326-I433 HydrophobicContact CG2-CB 4.47Å; V326-I433 HydrophobicContact CG2-CG1 3.86Å; V326-I433 WeakPolarHBondContact O-CA 2.98Å; V326-T434 PolarHBondContact O-N 3.49Å; V326-T434 PolarHBondContact O-OG1 2.88Å
327	E	95.9	Very high	91.4	Very high	16 Å²	16	34.8 Å²	34.8	8%	0.075	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	147.1	172.2	-64	-179.6	153.8	0	0	109.1	K329 M384 V385 E387 K435	E327-K329 HydrophobicContact CB-CD 4.49Å; E327-K329 HydrophobicContact CB-CG 4.45Å; E327-K329 WeakPolarHBondContact OE2-CE 3.37Å; E327-K329 IonicContact OE2-NZ 2.7Å; E327-K329 PolarHBondContact OE2-NZ 2.79Å; E327-M384 CarbonylContact O-C 3.35Å; E327-M384 WeakPolarHBondContact O-CA 3.42Å; E327-V385 HydrophobicContact CB-CG1 4.29Å; E327-V385 PolarHBondContact N-O 2.91Å; E327-V385 PolarHBondContact O-N 2.78Å; E327-E387 HydrophobicContact CG-CG 3.71Å; E327-K435 HydrophobicContact CB-CB 4.43Å; E327-K435 HydrophobicContact CG-CB 4.03Å; E327-K435 HydrophobicContact CG-CG 4.36Å; E327-K435 WeakPolarHBondContact OE1-CD 3.42Å; E327-K435 WeakPolarHBondContact OE1-CE 3.38Å; E327-K435 IonicContact OE1-NZ 3.88Å; E327-K435 PolarHBondContact OE1-NZ 3.21Å
328	V	96.4	Very high	92.6	Very high	5 Å²	5	32.7 Å²	32.7	3%	0.03	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	123	166.2	178.8	0	0	0	0	107.5	C303 K382 V383 I433 K435 R436 L437	C303-V328 HydrophobicContact CB-CG2 4.41Å; V328-K382 HydrophobicContact CG1-CB 4.4Å; V328-V383 CarbonylContact C-O 2.95Å; V328-V383 WeakPolarHBondContact CA-O 3.34Å; V328-I433 HydrophobicContact CG2-CD1 4.28Å; V328-I433 HydrophobicContact CG2-CG2 3.99Å; V328-K435 PolarHBondContact N-O 2.85Å; V328-R436 HydrophobicContact CB-CG 4.19Å; V328-R436 CarbonylContact O-C 3.6Å; V328-R436 WeakPolarHBondContact O-CA 3.38Å; V328-L437 PolarHBondContact O-N 3.4Å
329	K	94.5	Very high	93.6	Very high	42 Å²	42	30.2 Å²	30.2	18%	0.183	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	159.8	-175.6	-79.5	174.6	163.3	167.1	0	111	E327 K382 V383 V385 L437	E327-K329 HydrophobicContact CB-CD 4.49Å; E327-K329 HydrophobicContact CB-CG 4.45Å; E327-K329 WeakPolarHBondContact OE2-CE 3.37Å; E327-K329 IonicContact OE2-NZ 2.7Å; E327-K329 PolarHBondContact OE2-NZ 2.79Å; K329-K382 CarbonylContact O-C 3.58Å; K329-K382 WeakPolarHBondContact O-CA 3.44Å; K329-V383 HydrophobicContact CB-CG1 4.02Å; K329-V383 PolarHBondContact N-O 2.99Å; K329-V383 WeakPolarHBondContact O-CG1 3.31Å; K329-V383 PolarHBondContact O-N 3.4Å; K329-V385 HydrophobicContact CD-CG1 4.14Å; K329-L437 CarbonylContact C-O 3.48Å; K329-L437 WeakPolarHBondContact CA-O 3.29Å; K329-L437 HydrophobicContact CG-CB 4.25Å
330	A	94.9	Very high	94	Very high	13 Å²	13	30.2 Å²	30.2	11%	0.107	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	132.8	157.3	0	0	0	0	0	108.5	Y380 W381 L437 V445	A330-Y380 HydrophobicContact CB-CD2 3.92Å; A330-Y380 HydrophobicContact CB-CE2 3.95Å; A330-W381 WeakPolarHBondContact CA-O 3.41Å; A330-L437 PolarHBondContact N-O 3.01Å; A330-V445 HydrophobicContact CB-CG2 3.84Å
331	W	95.4	Very high	94.6	Very high	3 Å²	3	26.1 Å²	26.1	1%	0.011	14%	0.137	C	C	.	.			trans	-64	140.4	179.3	-173.4	91	0	0	0	110.3	H336 N337 M340 D366 L369 Q370 T373 W381 V383	W331-H336 VanDerWaalsContact CD1-CB 3.48Å; W331-H336 HydrophobicContact CG-CB 4.26Å; W331-H336 PolarHBondContact NE1-O 2.77Å; W331-H336 VanDerWaalsContact NE1-O 3.07Å; W331-N337 HydrophobicContact CZ2-CB 4.47Å; W331-M340 HydrophobicContact CZ2-CE 3.89Å; W331-M340 HydrophobicContact CZ2-SD 3.75Å; W331-D366 HydrophobicContact CH2-CB 4.36Å; W331-D366 WeakPolarHBondContact CH2-O 2.96Å; W331-L369 HydrophobicContact CH2-CB 3.74Å; W331-L369 HydrophobicContact CH2-CD1 4.21Å; W331-L369 HydrophobicContact CZ2-CD1 4.39Å; W331-L369 HydrophobicContact CZ3-CB 3.9Å; W331-Q370 HydrophobicContact CZ3-CB 3.86Å; W331-T373 HydrophobicContact CE3-CG2 4.28Å; W331-W381 HydrophobicContact CB-CB 3.67Å; W331-W381 HydrophobicContact CB-CE3 4.32Å; W331-W381 AromaticContact CD2-CE3 3.89Å; W331-W381 HydrophobicContact CD2-CE3 3.89Å; W331-W381 HydrophobicContact CD2-CZ3 4.31Å; W331-W381 HydrophobicContact CE3-CE3 4.12Å; W331-W381 HydrophobicContact CG-CB 4.49Å; W331-W381 AromaticContact CG-CE3 3.98Å; W331-W381 HydrophobicContact CG-CE3 3.98Å; W331-W381 PolarHBondContact N-O 3.43Å; W331-V383 HydrophobicContact CB-CB 4.23Å; W331-V383 HydrophobicContact CB-CG1 4.12Å
332	K	94.3	Very high	95.1	Very high	65 Å²	65	22.5 Å²	22.5	28%	0.283	11%	0.112	S	C	.	.			trans	-144.7	127.7	-176.2	-175.1	176.1	169.2	-160.4	0	108.5	T334 E335 H336 V445	K332-T334 VanDerWaalsContact CE-OG1 3.31Å; K332-T334 WeakPolarHBondContact CE-OG1 3.06Å; K332-T334 PolarHBondContact O-N 3.12Å; K332-E335 HydrophobicContact CB-CB 4.49Å; K332-E335 HydrophobicContact CD-CG 4.39Å; K332-E335 WeakPolarHBondContact CD-OE1 3.4Å; K332-E335 IonicContact NZ-OE1 3.19Å; K332-E335 PolarHBondContact NZ-OE1 3.32Å; K332-E335 PolarHBondContact O-N 3.23Å; K332-E335 VanDerWaalsContact O-N 3.13Å; K332-H336 PolarHBondContact N-ND1 3.24Å; K332-H336 VanDerWaalsContact N-ND1 3.19Å; K332-H336 PolarHBondContact O-N 3.14Å; K332-H336 PolarHBondContact O-ND1 3.02Å; K332-V445 HydrophobicContact CB-CG2 4.24Å; K332-V445 HydrophobicContact CD-CG1 4.44Å; K332-V445 HydrophobicContact CG-CG1 4.42Å
333	S	94.2	Very high	95.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-51.6	-54	-173.8	59.3	0	0	0	0	111.6	E335 H336 N337 D366 W367 Q370	S333-E335 PolarHBondContact O-N 3.42Å; S333-H336 PolarHBondContact O-N 3.07Å; S333-N337 WeakPolarHBondContact O-CB 3.1Å; S333-N337 PolarHBondContact O-N 2.98Å; S333-N337 PolarHBondContact O-ND2 2.77Å; S333-N337 PolarHBondContact O-OD1 2.99Å; S333-D366 WeakPolarHBondContact CB-O 3.41Å; S333-W367 VanDerWaalsContact OG-CZ3 3.23Å; S333-W367 WeakPolarHBondContact OG-CZ3 3.06Å; S333-Q370 PolarHBondContact OG-OE1 3.48Å
334	T	91.8	Very high	95.5	Very high	56 Å²	56	21.8 Å²	21.8	34%	0.344	11%	0.109	S	C	.	.	H	α-helix	trans	-66	-8	-174.9	65.3	0	0	0	0	115.2	Y314 K332 W367	Y314-T334 VanDerWaalsContact CD2-O 3.29Å; Y314-T334 WeakPolarHBondContact CD2-O 3.18Å; K332-T334 VanDerWaalsContact CE-OG1 3.31Å; K332-T334 WeakPolarHBondContact CE-OG1 3.06Å; K332-T334 PolarHBondContact O-N 3.12Å; T334-W367 HydrophobicContact CG2-CH2 3.35Å; T334-W367 HydrophobicContact CG2-CZ2 3.28Å; T334-W367 HydrophobicContact CG2-CZ3 4.3Å
335	E	92.2	Very high	95.5	Very high	62 Å²	62	24.8 Å²	24.8	29%	0.29	12%	0.121	S	C	.	.	H	α-helix	trans	-122.3	-27.8	-175.7	-72.5	177.7	-140.8	0	0	112.9	S313 K332 S333	S313-E335 WeakPolarHBondContact CA-O 3.47Å; S313-E335 WeakPolarHBondContact CB-O 3.33Å; S313-E335 PolarHBondContact OG-O 2.93Å; K332-E335 HydrophobicContact CB-CB 4.49Å; K332-E335 HydrophobicContact CD-CG 4.39Å; K332-E335 WeakPolarHBondContact CD-OE1 3.4Å; K332-E335 IonicContact NZ-OE1 3.19Å; K332-E335 PolarHBondContact NZ-OE1 3.32Å; K332-E335 PolarHBondContact O-N 3.23Å; K332-E335 VanDerWaalsContact O-N 3.13Å; S333-E335 PolarHBondContact O-N 3.42Å
336	H	95.3	Very high	95.6	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	11%	0.11	C	C	.	.	H	α-helix	trans	-132.5	12.8	-164.7	-49.9	103.1	0	0	0	113.5	W331 K332 S333 M338 M340 V383	W331-H336 VanDerWaalsContact CD1-CB 3.48Å; W331-H336 HydrophobicContact CG-CB 4.26Å; W331-H336 PolarHBondContact NE1-O 2.77Å; W331-H336 VanDerWaalsContact NE1-O 3.07Å; K332-H336 PolarHBondContact N-ND1 3.24Å; K332-H336 VanDerWaalsContact N-ND1 3.19Å; K332-H336 PolarHBondContact O-N 3.14Å; K332-H336 PolarHBondContact O-ND1 3.02Å; S333-H336 PolarHBondContact O-N 3.07Å; H336-M338 VanDerWaalsContact C-N 3.27Å; H336-M340 WeakPolarHBondContact O-CG 3.41Å; H336-V383 HydrophobicContact CB-CG1 4.45Å
337	N	93.1	Very high	95.6	Very high	20 Å²	20	22.4 Å²	22.4	11%	0.107	11%	0.111	C	C	.	.			trans	-74	-14	175	63.6	-0.8	0	0	0	113.2	Y314 W331 S333 W365 D366	Y314-N337 WeakPolarHBondContact CE2-OD1 3.44Å; Y314-N337 PolarHBondContact OH-ND2 3.21Å; Y314-N337 PolarHBondContact OH-OD1 3.37Å; W331-N337 HydrophobicContact CZ2-CB 4.47Å; S333-N337 WeakPolarHBondContact O-CB 3.1Å; S333-N337 PolarHBondContact O-N 2.98Å; S333-N337 PolarHBondContact O-ND2 2.77Å; S333-N337 PolarHBondContact O-OD1 2.99Å; N337-W365 HydrophobicContact CB-CH2 3.79Å; N337-W365 HydrophobicContact CB-CZ2 4.34Å; N337-W365 HydrophobicContact CB-CZ3 4.44Å; N337-D366 HydrophobicContact CB-CB 3.93Å; N337-D366 PolarHBondContact ND2-OD2 3.4Å
338	M	90.6	Very high	95.7	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.01	13%	0.127	C	C	.	.	S	Bend	trans	-91	130.7	177.9	-59.6	-171.8	-63.7	0	0	112.5	H282 S310 Y314 H336 M340 V391 H393	H282-M338 WeakPolarHBondContact NE2-CG 3.45Å; S310-M338 PolarHBondContact OG-O 2.94Å; Y314-M338 HydrophobicContact CD1-CE 3.53Å; Y314-M338 HydrophobicContact CD1-SD 3.61Å; Y314-M338 HydrophobicContact CD2-CE 3.77Å; Y314-M338 HydrophobicContact CD2-SD 4.43Å; Y314-M338 HydrophobicContact CE1-CE 3.74Å; Y314-M338 HydrophobicContact CE1-CG 3.94Å; Y314-M338 HydrophobicContact CE1-SD 3.22Å; Y314-M338 WeakPolarHBondContact CE1-SD 3.36Å; Y314-M338 HydrophobicContact CE2-CE 3.96Å; Y314-M338 HydrophobicContact CE2-CG 3.98Å; Y314-M338 HydrophobicContact CE2-SD 4.11Å; Y314-M338 HydrophobicContact CG-CE 3.55Å; Y314-M338 HydrophobicContact CG-SD 4.21Å; Y314-M338 WeakPolarHBondContact OH-CG 3.3Å; H336-M338 VanDerWaalsContact C-N 3.27Å; M338-M340 PolarHBondContact O-N 2.77Å; M338-V391 HydrophobicContact CB-CG1 3.9Å; M338-V391 HydrophobicContact CB-CG2 4.4Å; M338-H393 HydrophobicContact SD-CB 3.84Å
339	G	96.1	Very high	95.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	60.7	46.3	172.7	0	0	0	0	0	112.8	L276 L277 S310 L311	L276-G339 VanDerWaalsContact CD1-C 3.42Å; L276-G339 WeakPolarHBondContact CD1-O 3.25Å; L277-G339 WeakPolarHBondContact O-CA 3.39Å; L277-G339 PolarHBondContact O-N 3.34Å; S310-G339 WeakPolarHBondContact CA-O 3.42Å; L311-G339 PolarHBondContact N-O 2.83Å; L311-G339 VanDerWaalsContact N-O 3.09Å
340	M	97.9	Very high	96	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	121.2	178	-68.1	174	63.1	0	0	110.3	L277 I308 W331 H336 M338 L342 W365 L369 W381	L277-M340 PolarHBondContact N-O 3.27Å; L277-M340 PolarHBondContact O-N 3.33Å; I308-M340 HydrophobicContact CD1-CE 3.64Å; I308-M340 HydrophobicContact CG2-CB 4.36Å; I308-M340 HydrophobicContact CG2-CE 4.44Å; W331-M340 HydrophobicContact CZ2-CE 3.89Å; W331-M340 HydrophobicContact CZ2-SD 3.75Å; H336-M340 WeakPolarHBondContact O-CG 3.41Å; M338-M340 PolarHBondContact O-N 2.77Å; M340-L342 HydrophobicContact CE-CD2 4.49Å; M340-W365 HydrophobicContact SD-CH2 4.32Å; M340-W365 HydrophobicContact SD-CZ3 4.15Å; M340-L369 HydrophobicContact CE-CD1 4.19Å; M340-W381 HydrophobicContact CE-CH2 4.29Å; M340-W381 HydrophobicContact CE-CZ3 3.83Å
341	A	98.6	Very high	96.1	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.008	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	122.1	172.3	0	0	0	0	0	110.7	L274 V275 L276 L292 L309	L274-A341 HydrophobicContact CB-CB 4.39Å; L274-A341 HydrophobicContact CD1-CB 4.33Å; V275-A341 WeakPolarHBondContact O-CA 3.3Å; L276-A341 HydrophobicContact CD1-CB 4.21Å; L292-A341 HydrophobicContact CD1-CB 3.82Å; L292-A341 HydrophobicContact CD2-CB 4.13Å; L309-A341 HydrophobicContact CB-CB 4.25Å; L309-A341 PolarHBondContact N-O 3.46Å; L309-A341 PolarHBondContact O-N 3.16Å
342	L	98.3	Very high	96.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	146.4	-178.9	-58.1	-178.2	0	0	0	110.7	L258 W262 L274 V275 L277 I308 M340 T346 L350	L258-L342 HydrophobicContact CD1-CD1 3.83Å; W262-L342 HydrophobicContact CZ2-CB 4.3Å; L274-L342 WeakPolarHBondContact CA-O 3.38Å; V275-L342 PolarHBondContact N-O 2.8Å; V275-L342 PolarHBondContact O-N 3.37Å; L277-L342 HydrophobicContact CD1-CD1 3.71Å; L277-L342 HydrophobicContact CD1-CG 4.3Å; I308-L342 HydrophobicContact CD1-CD2 3.51Å; I308-L342 HydrophobicContact CG1-CD2 3.68Å; I308-L342 HydrophobicContact CG2-CD2 4.36Å; M340-L342 HydrophobicContact CE-CD2 4.49Å; L342-T346 HydrophobicContact CD2-CG2 3.94Å; L342-L350 HydrophobicContact CD1-CD1 4.1Å
343	S	98.1	Very high	96.4	Very high	21 Å²	21	31.3 Å²	31.3	15%	0.147	15%	0.152	C	C	.	.			trans	-94.6	165	165	73.4	0	0	0	0	110.4	E345 T346 Y347	S343-E345 PolarHBondContact O-N 2.87Å; S343-T346 PolarHBondContact O-N 2.99Å; S343-T346 VanDerWaalsContact O-N 3.16Å; S343-T346 PolarHBondContact OG-N 2.93Å; S343-T346 PolarHBondContact OG-OG1 3.25Å; S343-Y347 PolarHBondContact O-N 3.25Å
344	R	97.9	Very high	96.6	Very high	34 Å²	34	31.7 Å²	31.7	13%	0.128	15%	0.154	C	C	.	.	H	α-helix	trans	-57.7	-39.4	173.6	-176	169.8	-67.8	-81.1	0.1	112.1	W262 L268 H271 Y347 H348	W262-R344 HydrophobicContact CE3-CB 4.24Å; W262-R344 HydrophobicContact CE3-CG 4.4Å; W262-R344 HydrophobicContact CH2-CB 4.12Å; W262-R344 VanDerWaalsContact CH2-N 3.28Å; W262-R344 HydrophobicContact CZ3-CB 3.65Å; W262-R344 HydrophobicContact CZ3-CG 4.28Å; W262-R344 PolarHBondContact O-NH1 3.38Å; W262-R344 VanDerWaalsContact O-NH1 3.15Å; L268-R344 PolarHBondContact O-NH2 2.81Å; H271-R344 PolarHBondContact O-NE 2.82Å; H271-R344 PolarHBondContact O-NH2 2.89Å; H271-R344 VanDerWaalsContact O-NH2 3.15Å; R344-Y347 PolarHBondContact O-N 3.29Å; R344-H348 PolarHBondContact O-N 3.35Å
345	E	97.3	Very high	97	Very high	120 Å²	120	33.3 Å²	33.3	56%	0.561	16%	0.161	S	C	*	.	H	α-helix	trans	-60.2	-47	176	-170.9	-162.4	150.9	0	0	111.4	S343 Y347 H348 K349	S343-E345 PolarHBondContact O-N 2.87Å; E345-Y347 VanDerWaalsContact C-N 3.31Å; E345-Y347 PolarHBondContact O-N 2.9Å; E345-H348 PolarHBondContact O-N 2.71Å; E345-K349 PolarHBondContact O-N 3.43Å; E345-K349 VanDerWaalsContact O-N 3.13Å; E345-K349 VanDerWaalsContact OE1-CE 3.24Å; E345-K349 WeakPolarHBondContact OE1-CE 3.46Å; E345-K349 IonicContact OE1-NZ 3.35Å; E345-K349 PolarHBondContact OE1-NZ 2.85Å
346	T	97.7	Very high	97.3	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.012	16%	0.159	C	C	.	.	H	α-helix	trans	-61.6	-41.4	177.4	-41.8	0	0	0	0	111.2	D307 I308 L342 S343 K349 L350 W381	D307-T346 HydrophobicContact CB-CG2 4.34Å; D307-T346 PolarHBondContact O-OG1 2.74Å; I308-T346 HydrophobicContact CD1-CG2 4.34Å; I308-T346 HydrophobicContact CG1-CG2 3.92Å; L342-T346 HydrophobicContact CD2-CG2 3.94Å; S343-T346 PolarHBondContact O-N 2.99Å; S343-T346 VanDerWaalsContact O-N 3.16Å; S343-T346 PolarHBondContact OG-N 2.93Å; S343-T346 PolarHBondContact OG-OG1 3.25Å; T346-K349 PolarHBondContact O-N 3.21Å; T346-L350 PolarHBondContact O-N 3.02Å; T346-L350 VanDerWaalsContact O-N 3.1Å; T346-W381 HydrophobicContact CG2-CZ2 3.91Å
347	Y	98.1	Very high	97.4	Very high	7 Å²	7	32.2 Å²	32.2	3%	0.027	16%	0.158	C	C	.	.	H	α-helix	trans	-62.5	-44.3	175	162.7	-106.6	0	0	0	112.6	L258 H259 W262 S343 R344 E345 K349 L350 I351	L258-Y347 HydrophobicContact CD1-CD2 4.17Å; L258-Y347 HydrophobicContact CD2-CD2 4.25Å; L258-Y347 HydrophobicContact CG-CD2 3.89Å; L258-Y347 HydrophobicContact CG-CE2 4.11Å; H259-Y347 PolarHBondContact ND1-OH 3.14Å; W262-Y347 HydrophobicContact CB-CD1 3.58Å; W262-Y347 HydrophobicContact CB-CD2 4.06Å; W262-Y347 HydrophobicContact CB-CE1 3.38Å; W262-Y347 HydrophobicContact CB-CE2 3.86Å; W262-Y347 HydrophobicContact CB-CG 3.93Å; W262-Y347 AromaticContact CD1-CD2 3.35Å; W262-Y347 AromaticContact CD1-CE2 3.84Å; W262-Y347 AromaticContact CD1-CG 3.43Å; W262-Y347 VanDerWaalsContact CD1-CG 3.43Å; W262-Y347 HydrophobicContact CD2-CD1 4.02Å; W262-Y347 AromaticContact CD2-CG 3.98Å; W262-Y347 HydrophobicContact CD2-CG 3.98Å; W262-Y347 AromaticContact CG-CD1 3.6Å; W262-Y347 HydrophobicContact CG-CD1 3.6Å; W262-Y347 AromaticContact CG-CD2 3.78Å; W262-Y347 HydrophobicContact CG-CD2 3.78Å; W262-Y347 AromaticContact CG-CE1 3.93Å; W262-Y347 HydrophobicContact CG-CE1 3.93Å; W262-Y347 HydrophobicContact CG-CE2 4.08Å; W262-Y347 AromaticContact CG-CG 3.52Å; W262-Y347 HydrophobicContact CG-CG 3.52Å; W262-Y347 AromaticContact NE1-CD2 4Å; W262-Y347 AromaticContact NE1-CG 3.84Å; S343-Y347 PolarHBondContact O-N 3.25Å; R344-Y347 PolarHBondContact O-N 3.29Å; E345-Y347 VanDerWaalsContact C-N 3.31Å; E345-Y347 PolarHBondContact O-N 2.9Å; Y347-K349 VanDerWaalsContact C-N 3.33Å; Y347-K349 PolarHBondContact O-N 3.09Å; Y347-L350 WeakPolarHBondContact O-CB 3.48Å; Y347-L350 PolarHBondContact O-N 3.35Å; Y347-L350 VanDerWaalsContact O-N 3.09Å; Y347-I351 HydrophobicContact CE2-CB 4.16Å; Y347-I351 HydrophobicContact CE2-CD1 3.99Å; Y347-I351 HydrophobicContact CE2-CG1 4.31Å; Y347-I351 PolarHBondContact O-N 2.83Å
348	H	98	Very high	97.7	Very high	88 Å²	88	31.2 Å²	31.2	41%	0.407	15%	0.153	S	C	.	.	H	α-helix	trans	-61.7	-40	178	-70.7	174.4	0	0	0	112.2	R344 E345 L350 I351 Q352	R344-H348 PolarHBondContact O-N 3.35Å; E345-H348 PolarHBondContact O-N 2.71Å; H348-L350 VanDerWaalsContact C-N 3.32Å; H348-L350 PolarHBondContact O-N 3.42Å; H348-I351 PolarHBondContact O-N 3.06Å; H348-Q352 WeakPolarHBondContact O-CG 3.37Å; H348-Q352 PolarHBondContact O-N 2.83Å
349	K	98.1	Very high	98.1	Very high	53 Å²	53	34 Å²	34	23%	0.23	17%	0.17	C	C	.	.	H	α-helix	trans	-62.6	-39.3	173.5	-65.9	175.1	-170.7	169.6	0	111.6	D307 E345 T346 Y347 L377	D307-K349 IonicContact OD1-NZ 2.73Å; E345-K349 PolarHBondContact O-N 3.43Å; E345-K349 VanDerWaalsContact O-N 3.13Å; E345-K349 VanDerWaalsContact OE1-CE 3.24Å; E345-K349 WeakPolarHBondContact OE1-CE 3.46Å; E345-K349 IonicContact OE1-NZ 3.35Å; E345-K349 PolarHBondContact OE1-NZ 2.85Å; T346-K349 PolarHBondContact O-N 3.21Å; Y347-K349 VanDerWaalsContact C-N 3.33Å; Y347-K349 PolarHBondContact O-N 3.09Å; K349-L377 HydrophobicContact CB-CD2 4.04Å
350	L	97.5	Very high	98.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.7	-48.1	176.7	-81.5	172.5	0	0	0	112.9	W255 L258 L342 T346 Y347 H348 Q352 C353 L369 L372 L377 W381	W255-L350 HydrophobicContact CH2-CB 4.27Å; W255-L350 WeakPolarHBondContact CH2-O 3.26Å; L258-L350 HydrophobicContact CD2-CD1 4.05Å; L342-L350 HydrophobicContact CD1-CD1 4.1Å; T346-L350 PolarHBondContact O-N 3.02Å; T346-L350 VanDerWaalsContact O-N 3.1Å; Y347-L350 WeakPolarHBondContact O-CB 3.48Å; Y347-L350 PolarHBondContact O-N 3.35Å; Y347-L350 VanDerWaalsContact O-N 3.09Å; H348-L350 VanDerWaalsContact C-N 3.32Å; H348-L350 PolarHBondContact O-N 3.42Å; L350-Q352 PolarHBondContact O-N 2.9Å; L350-C353 WeakPolarHBondContact O-CA 3.39Å; L350-C353 VanDerWaalsContact O-CB 3.32Å; L350-C353 WeakPolarHBondContact O-CB 3.44Å; L350-C353 PolarHBondContact O-N 2.99Å; L350-L369 HydrophobicContact CD2-CD2 3.81Å; L350-L372 HydrophobicContact CD2-CD1 3.9Å; L350-L377 HydrophobicContact CD2-CD2 4.47Å; L350-W381 HydrophobicContact CD1-CH2 3.65Å; L350-W381 HydrophobicContact CD1-CZ2 3.58Å; L350-W381 HydrophobicContact CD2-CH2 3.51Å; L350-W381 HydrophobicContact CD2-CZ2 3.34Å; L350-W381 HydrophobicContact CG-CH2 3.88Å; L350-W381 HydrophobicContact CG-CZ2 3.44Å; L350-W381 VanDerWaalsContact CG-CZ2 3.44Å
351	I	97.5	Very high	98.2	Very high	33 Å²	33	35.2 Å²	35.2	17%	0.169	18%	0.176	C	C	.	.	H	α-helix	trans	-69.1	-24.5	-171.8	-151.5	71.3	0	0	0	112	W255 H259 Y347 H348 C353 T354 V467	W255-I351 HydrophobicContact CH2-CD1 4.46Å; W255-I351 HydrophobicContact CZ2-CD1 3.75Å; H259-I351 HydrophobicContact CB-CD1 4.34Å; Y347-I351 HydrophobicContact CE2-CB 4.16Å; Y347-I351 HydrophobicContact CE2-CD1 3.99Å; Y347-I351 HydrophobicContact CE2-CG1 4.31Å; Y347-I351 PolarHBondContact O-N 2.83Å; H348-I351 PolarHBondContact O-N 3.06Å; I351-C353 PolarHBondContact O-N 2.84Å; I351-T354 WeakPolarHBondContact O-CB 3.29Å; I351-T354 PolarHBondContact O-N 3.28Å; I351-T354 PolarHBondContact O-OG1 2.65Å; I351-V467 HydrophobicContact CD1-CG1 3.51Å; I351-V467 HydrophobicContact CG1-CG1 3.6Å
352	Q	98.1	Very high	98.2	Very high	153 Å²	153	35.2 Å²	35.2	72%	0.715	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-22.3	169.2	-71.4	172.3	-5.8	0	0	113	H348 L350	H348-Q352 WeakPolarHBondContact O-CG 3.37Å; H348-Q352 PolarHBondContact O-N 2.83Å; L350-Q352 PolarHBondContact O-N 2.9Å
353	C	98.6	Very high	98.2	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.02	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	18.6	176.4	-67.7	0	0	0	0	113.8	L350 I351 D355 T356 F357 L372 C376	L350-C353 WeakPolarHBondContact O-CA 3.39Å; L350-C353 VanDerWaalsContact O-CB 3.32Å; L350-C353 WeakPolarHBondContact O-CB 3.44Å; L350-C353 PolarHBondContact O-N 2.99Å; I351-C353 PolarHBondContact O-N 2.84Å; C353-D355 VanDerWaalsContact C-N 3.34Å; C353-D355 PolarHBondContact O-N 3.41Å; C353-T356 PolarHBondContact O-N 3.11Å; C353-F357 WeakPolarHBondContact O-CB 3.31Å; C353-F357 PolarHBondContact O-N 3.31Å; C353-L372 HydrophobicContact CB-CD1 3.89Å; C353-L372 HydrophobicContact CB-CD2 4.01Å; C353-L372 HydrophobicContact CB-CG 4.45Å; C353-C376 WeakPolarHBondContact CA-SG 3.41Å; C353-C376 HydrophobicContact CB-CB 3.83Å; C353-C376 WeakPolarHBondContact CB-SG 3.5Å; C353-C376 VanDerWaalsContact SG-C 3.55Å; C353-C376 WeakPolarHBondContact SG-CB 3.41Å; C353-C376 CovalentContact SG-SG 2.03Å; C353-C376 PolarHBondContact SG-SG 2.72Å
354	T	98.7	Very high	98.2	Very high	9 Å²	9	37.3 Å²	37.3	6%	0.055	18%	0.182	C	C	.	.	H	α-helix	trans	-52.3	-48.9	-179.2	-68.9	0	0	0	0	112.1	W255 I351 T356 F357 C358 K464 V467	W255-T354 WeakPolarHBondContact CZ2-OG1 3.37Å; I351-T354 WeakPolarHBondContact O-CB 3.29Å; I351-T354 PolarHBondContact O-N 3.28Å; I351-T354 PolarHBondContact O-OG1 2.65Å; T354-T356 PolarHBondContact O-N 2.98Å; T354-F357 PolarHBondContact O-N 2.87Å; T354-C358 WeakPolarHBondContact O-CB 3.48Å; T354-C358 PolarHBondContact O-N 2.93Å; T354-C358 PolarHBondContact O-SG 2.94Å; T354-K464 HydrophobicContact CG2-CB 4.46Å; T354-K464 HydrophobicContact CG2-CG 4.35Å; T354-V467 HydrophobicContact CG2-CG1 4.45Å
355	D	98.6	Very high	98.2	Very high	89 Å²	89	36.4 Å²	36.4	48%	0.476	18%	0.179	S	C	.	.	H	α-helix	trans	-61.3	-48.3	-177.8	-74.5	-11.4	0	0	0	111.3	C353 F357 C358 T359 K464	C353-D355 VanDerWaalsContact C-N 3.34Å; C353-D355 PolarHBondContact O-N 3.41Å; D355-F357 PolarHBondContact O-N 3.43Å; D355-C358 PolarHBondContact O-N 3.19Å; D355-T359 WeakPolarHBondContact O-CG2 3.44Å; D355-T359 PolarHBondContact O-N 2.7Å; D355-T359 PolarHBondContact O-OG1 3.35Å; D355-K464 WeakPolarHBondContact OD1-CD 3.46Å
356	T	98.5	Very high	98.2	Very high	40 Å²	40	31.5 Å²	31.5	25%	0.245	16%	0.156	C	C	.	.	H	α-helix	trans	-61	-43	177.6	-49.6	0	0	0	0	112.1	C353 T354 Y360 L372 A375 C376	C353-T356 PolarHBondContact O-N 3.11Å; T354-T356 PolarHBondContact O-N 2.98Å; T356-Y360 VanDerWaalsContact O-CB 3.23Å; T356-Y360 WeakPolarHBondContact O-CB 3.36Å; T356-Y360 PolarHBondContact O-N 3.45Å; T356-L372 HydrophobicContact CG2-CD2 3.68Å; T356-A375 HydrophobicContact CG2-CB 4.43Å; T356-C376 HydrophobicContact CG2-CB 4.11Å
357	F	98.6	Very high	98.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.6	-46.7	178.2	-177.7	-88.6	0	0	0	111.2	K251 W254 W255 C353 T354 D355 W365 L369 L372	K251-F357 HydrophobicContact CD-CE1 4.29Å; K251-F357 HydrophobicContact CD-CZ 4.43Å; K251-F357 VanDerWaalsContact CE-O 3.26Å; K251-F357 WeakPolarHBondContact CE-O 3.47Å; K251-F357 HydrophobicContact CG-CE1 3.77Å; K251-F357 HydrophobicContact CG-CZ 3.91Å; K251-F357 PolarHBondContact NZ-O 3.4Å; W254-F357 HydrophobicContact CE3-CZ 4.31Å; W255-F357 HydrophobicContact CB-CD1 4.31Å; W255-F357 HydrophobicContact CB-CE1 3.73Å; W255-F357 HydrophobicContact CB-CZ 4.42Å; W255-F357 AromaticContact CD2-CD1 3.61Å; W255-F357 HydrophobicContact CD2-CD1 3.61Å; W255-F357 AromaticContact CD2-CE1 3.77Å; W255-F357 HydrophobicContact CD2-CE1 3.77Å; W255-F357 HydrophobicContact CD2-CG 4.11Å; W255-F357 HydrophobicContact CD2-CZ 4.35Å; W255-F357 AromaticContact CE3-CD1 3.65Å; W255-F357 HydrophobicContact CE3-CD1 3.65Å; W255-F357 AromaticContact CE3-CD2 3.96Å; W255-F357 HydrophobicContact CE3-CD2 3.96Å; W255-F357 AromaticContact CE3-CE1 3.65Å; W255-F357 HydrophobicContact CE3-CE1 3.65Å; W255-F357 AromaticContact CE3-CE2 3.92Å; W255-F357 HydrophobicContact CE3-CE2 3.92Å; W255-F357 AromaticContact CE3-CG 3.82Å; W255-F357 HydrophobicContact CE3-CG 3.82Å; W255-F357 AromaticContact CE3-CZ 3.76Å; W255-F357 HydrophobicContact CE3-CZ 3.76Å; W255-F357 AromaticContact CG-CD1 3.9Å; W255-F357 HydrophobicContact CG-CD1 3.9Å; W255-F357 AromaticContact CG-CE1 3.82Å; W255-F357 HydrophobicContact CG-CE1 3.82Å; W255-F357 HydrophobicContact CH2-CB 4.27Å; W255-F357 HydrophobicContact CH2-CD2 4.48Å; W255-F357 HydrophobicContact CH2-CG 4.23Å; W255-F357 HydrophobicContact CZ2-CB 4.36Å; W255-F357 HydrophobicContact CZ2-CG 4.48Å; W255-F357 HydrophobicContact CZ3-CB 4.42Å; W255-F357 HydrophobicContact CZ3-CD1 4.2Å; W255-F357 AromaticContact CZ3-CD2 3.85Å; W255-F357 HydrophobicContact CZ3-CD2 3.85Å; W255-F357 HydrophobicContact CZ3-CE1 4.48Å; W255-F357 HydrophobicContact CZ3-CE2 4.12Å; W255-F357 AromaticContact CZ3-CG 3.89Å; W255-F357 HydrophobicContact CZ3-CG 3.89Å; W255-F357 HydrophobicContact CZ3-CZ 4.42Å; C353-F357 WeakPolarHBondContact O-CB 3.31Å; C353-F357 PolarHBondContact O-N 3.31Å; T354-F357 PolarHBondContact O-N 2.87Å; D355-F357 PolarHBondContact O-N 3.43Å; F357-W365 HydrophobicContact CZ-CB 4.09Å; F357-L369 HydrophobicContact CD2-CD2 4.16Å; F357-L369 HydrophobicContact CE2-CD2 3.95Å; F357-L369 HydrophobicContact CE2-CG 4.25Å; F357-L372 HydrophobicContact CB-CD1 4.14Å; F357-L372 HydrophobicContact CB-CD2 4.14Å; F357-L372 HydrophobicContact CD2-CD1 4Å; F357-L372 HydrophobicContact CD2-CG 4.44Å
358	C	98.8	Very high	98.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-76.5	-20.1	-173.7	-68.1	0	0	0	0	113.7	T354 D355 W454 H460 C463 K464	T354-C358 WeakPolarHBondContact O-CB 3.48Å; T354-C358 PolarHBondContact O-N 2.93Å; T354-C358 PolarHBondContact O-SG 2.94Å; D355-C358 PolarHBondContact O-N 3.19Å; C358-W454 PolarHBondContact O-NE1 2.94Å; C358-H460 WeakPolarHBondContact O-CA 3.3Å; C358-H460 PolarHBondContact O-CD2 3.31Å; C358-C463 WeakPolarHBondContact CA-SG 3.45Å; C358-C463 HydrophobicContact CB-CB 3.55Å; C358-C463 WeakPolarHBondContact CB-SG 3.31Å; C358-C463 WeakPolarHBondContact SG-CB 3.18Å; C358-C463 CovalentContact SG-SG 2.04Å; C358-C463 PolarHBondContact SG-SG 2.9Å; C358-K464 HydrophobicContact CB-CG 3.75Å; C358-K464 PolarHBondContact SG-N 2.91Å; C358-K464 VanDerWaalsContact SG-N 3.42Å
359	T	98.7	Very high	98.2	Very high	59 Å²	59	29.1 Å²	29.1	36%	0.362	14%	0.143	S	C	.	.	H	α-helix	trans	-106.7	-9.5	177	64.6	0	0	0	0	113.8	D355 D361 H460 K464	D355-T359 WeakPolarHBondContact O-CG2 3.44Å; D355-T359 PolarHBondContact O-N 2.7Å; D355-T359 PolarHBondContact O-OG1 3.35Å; T359-D361 PolarHBondContact O-N 2.7Å; T359-H460 HydrophobicContact CG2-CB 4.15Å; T359-K464 VanDerWaalsContact CG2-CE 3.46Å
360	Y	98.4	Very high	98.1	Very high	18 Å²	18	26.9 Å²	26.9	7%	0.071	13%	0.134	C	C	.	.	S	Bend	trans	-67.3	122.2	175.1	-176.7	-113.2	0	0	0	109.8	K251 T356 D362 H371 H448 K450 W454	K251-Y360 PolarHBondContact NZ-O 3.17Å; T356-Y360 VanDerWaalsContact O-CB 3.23Å; T356-Y360 WeakPolarHBondContact O-CB 3.36Å; T356-Y360 PolarHBondContact O-N 3.45Å; Y360-D362 HydrophobicContact CD1-CB 3.57Å; Y360-D362 HydrophobicContact CE1-CB 3.43Å; Y360-D362 VanDerWaalsContact CE1-CB 3.43Å; Y360-D362 PolarHBondContact O-N 3.46Å; Y360-H371 HydrophobicContact CD1-CB 3.84Å; Y360-H371 HydrophobicContact CD2-CB 4.23Å; Y360-H371 AromaticContact CD2-CD2 3.23Å; Y360-H371 WeakPolarHBondContact CD2-CD2 3.34Å; Y360-H371 AromaticContact CD2-CE1 3.72Å; Y360-H371 AromaticContact CD2-CG 3.49Å; Y360-H371 VanDerWaalsContact CD2-CG 3.49Å; Y360-H371 AromaticContact CD2-ND1 3.79Å; Y360-H371 AromaticContact CD2-NE2 3.39Å; Y360-H371 WeakPolarHBondContact CD2-NE2 3.34Å; Y360-H371 HydrophobicContact CE1-CB 3.64Å; Y360-H371 AromaticContact CE1-CG 3.95Å; Y360-H371 HydrophobicContact CE2-CB 4.06Å; Y360-H371 AromaticContact CE2-CD2 3.69Å; Y360-H371 AromaticContact CE2-CE1 3.6Å; Y360-H371 AromaticContact CE2-CG 3.44Å; Y360-H371 VanDerWaalsContact CE2-CG 3.44Å; Y360-H371 AromaticContact CE2-ND1 3.39Å; Y360-H371 WeakPolarHBondContact CE2-ND1 3.27Å; Y360-H371 AromaticContact CE2-NE2 3.78Å; Y360-H371 HydrophobicContact CG-CB 4.12Å; Y360-H371 AromaticContact CG-CD2 3.47Å; Y360-H371 VanDerWaalsContact CG-CD2 3.47Å; Y360-H371 AromaticContact CG-CG 3.79Å; Y360-H371 AromaticContact CZ-CG 3.67Å; Y360-H371 AromaticContact CZ-ND1 3.81Å; Y360-H448 PolarHBondContact OH-O 2.94Å; Y360-K450 HydrophobicContact CE2-CD 4.45Å; Y360-K450 HydrophobicContact CE2-CG 3.85Å; Y360-W454 VanDerWaalsContact O-CD1 3.23Å
361	D	98.4	Very high	98	Very high	10 Å²	10	28.7 Å²	28.7	5%	0.053	14%	0.142	C	C	.	.	S	Bend	trans	-75.4	68.8	-175	179.5	30.6	0	0	0	112.1	D237 S238 T359 K450 G452 W454 G455	D237-D361 WeakPolarHBondContact CB-OD1 3.49Å; S238-D361 WeakPolarHBondContact CA-OD2 3.21Å; S238-D361 WeakPolarHBondContact CB-OD2 3.49Å; S238-D361 PolarHBondContact N-OD2 3.27Å; S238-D361 PolarHBondContact OG-OD2 2.99Å; T359-D361 PolarHBondContact O-N 2.7Å; D361-K450 HydrophobicContact CB-CD 4.23Å; D361-K450 WeakPolarHBondContact O-CB 3.37Å; D361-G452 PolarHBondContact O-N 3.37Å; D361-G452 VanDerWaalsContact OD1-C 3.3Å; D361-G452 WeakPolarHBondContact OD1-CA 3.05Å; D361-W454 WeakPolarHBondContact OD1-CA 3.38Å; D361-W454 PolarHBondContact OD1-N 3.29Å; D361-G455 PolarHBondContact OD1-N 3.1Å
362	D	98.4	Very high	98	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-149	115.4	171.7	-158.4	-51	0	0	0	108.7	K251 Y360 N364 S368 H448 N451 G452	K251-D362 VanDerWaalsContact CD-O 3.25Å; K251-D362 WeakPolarHBondContact CD-O 3.36Å; K251-D362 PolarHBondContact NZ-O 2.99Å; Y360-D362 HydrophobicContact CD1-CB 3.57Å; Y360-D362 HydrophobicContact CE1-CB 3.43Å; Y360-D362 VanDerWaalsContact CE1-CB 3.43Å; Y360-D362 PolarHBondContact O-N 3.46Å; D362-N364 PolarHBondContact O-N 3.45Å; D362-N364 WeakPolarHBondContact OD1-CB 3.29Å; D362-N364 PolarHBondContact OD1-N 3.47Å; D362-N364 PolarHBondContact OD1-ND2 3.2Å; D362-S368 PolarHBondContact O-OG 2.93Å; D362-S368 VanDerWaalsContact O-OG 3.05Å; D362-H448 IonicContact OD2-CD2 3.84Å; D362-N451 PolarHBondContact OD1-ND2 3.08Å; D362-N451 WeakPolarHBondContact OD2-CB 3.3Å; D362-N451 PolarHBondContact OD2-N 2.93Å; D362-N451 PolarHBondContact OD2-ND2 3.3Å; D362-G452 WeakPolarHBondContact CA-O 3.24Å
363	Y	97.9	Very high	97.8	Very high	45 Å²	45	20.1 Å²	20.1	18%	0.176	10%	0.102	C	C	.	.	S	Bend	trans	-71.2	-6.4	180	74.3	-79.1	0	0	0	113.7	F247 K251 N451 G452	F247-Y363 HydrophobicContact CB-CD2 3.89Å; F247-Y363 HydrophobicContact CB-CE2 4.13Å; F247-Y363 HydrophobicContact CB-CG 4.49Å; F247-Y363 HydrophobicContact CD1-CE2 4.44Å; F247-Y363 HydrophobicContact CG-CE2 4.46Å; F247-Y363 WeakPolarHBondContact O-CD2 3.36Å; K251-Y363 VanDerWaalsContact CB-O 3.23Å; K251-Y363 WeakPolarHBondContact CB-O 3.15Å; Y363-N451 HydrophobicContact CE1-CB 4.22Å; Y363-G452 WeakPolarHBondContact CD1-O 3.18Å; Y363-G452 PolarHBondContact N-O 3.28Å
364	N	98.2	Very high	97.5	Very high	20 Å²	20	23 Å²	23	11%	0.107	12%	0.119	C	C	.	.			trans	-90.4	126.5	176.1	-52.8	-85.6	0	0	0	109.6	D362 D366 W367 S368 N451	D362-N364 PolarHBondContact O-N 3.45Å; D362-N364 WeakPolarHBondContact OD1-CB 3.29Å; D362-N364 PolarHBondContact OD1-N 3.47Å; D362-N364 PolarHBondContact OD1-ND2 3.2Å; N364-D366 VanDerWaalsContact C-N 3.32Å; N364-D366 WeakPolarHBondContact CB-OD1 3.38Å; N364-D366 PolarHBondContact O-N 3.48Å; N364-W367 HydrophobicContact CB-CB 4.16Å; N364-W367 HydrophobicContact CB-CG 4.29Å; N364-S368 WeakPolarHBondContact O-CB 3.44Å; N364-S368 PolarHBondContact O-N 3.18Å; N364-S368 PolarHBondContact O-OG 3.42Å; N364-N451 PolarHBondContact ND2-ND2 3.01Å
365	W	98.3	Very high	97.3	Very high	16 Å²	16	25 Å²	25	6%	0.061	14%	0.137	C	C	.	.	H	α-helix	trans	-64	-38	-178.6	62.7	-95.8	0	0	0	111.9	K251 W254 E279 N337 M340 F357 S368 L369	K251-W365 HydrophobicContact CB-CB 4.45Å; K251-W365 HydrophobicContact CG-CB 4.47Å; W254-W365 HydrophobicContact CB-CB 3.85Å; W254-W365 HydrophobicContact CB-CG 3.89Å; W254-W365 AromaticContact CD1-CD1 3.69Å; W254-W365 AromaticContact CD1-CD2 3.24Å; W254-W365 AromaticContact CD1-CE2 3.37Å; W254-W365 AromaticContact CD1-CE3 3.72Å; W254-W365 AromaticContact CD1-CG 3.48Å; W254-W365 VanDerWaalsContact CD1-CG 3.48Å; W254-W365 AromaticContact CD1-CZ2 3.93Å; W254-W365 AromaticContact CD1-NE1 3.61Å; W254-W365 HydrophobicContact CD2-CB 4.04Å; W254-W365 AromaticContact CD2-CD2 3.87Å; W254-W365 HydrophobicContact CD2-CD2 3.87Å; W254-W365 AromaticContact CD2-CE3 3.75Å; W254-W365 HydrophobicContact CD2-CE3 3.75Å; W254-W365 HydrophobicContact CD2-CG 4.01Å; W254-W365 HydrophobicContact CD2-CZ3 4.48Å; W254-W365 AromaticContact CE2-CD2 3.67Å; W254-W365 AromaticContact CE2-CE3 3.23Å; W254-W365 AromaticContact CE2-CZ3 3.53Å; W254-W365 HydrophobicContact CE3-CB 4.35Å; W254-W365 HydrophobicContact CE3-CE3 4.42Å; W254-W365 HydrophobicContact CG-CB 3.79Å; W254-W365 AromaticContact CG-CD1 3.98Å; W254-W365 AromaticContact CG-CD2 3.68Å; W254-W365 HydrophobicContact CG-CD2 3.68Å; W254-W365 HydrophobicContact CG-CE3 4.08Å; W254-W365 AromaticContact CG-CG 3.54Å; W254-W365 HydrophobicContact CG-CG 3.54Å; W254-W365 HydrophobicContact CH2-CE3 4.32Å; W254-W365 HydrophobicContact CZ2-CD2 4.45Å; W254-W365 AromaticContact CZ2-CE3 3.58Å; W254-W365 HydrophobicContact CZ2-CE3 3.58Å; W254-W365 HydrophobicContact CZ2-CH2 4.43Å; W254-W365 AromaticContact CZ2-CZ3 3.57Å; W254-W365 HydrophobicContact CZ2-CZ3 3.57Å; W254-W365 AromaticContact NE1-CD2 3.25Å; W254-W365 VanDerWaalsContact NE1-CD2 3.25Å; W254-W365 AromaticContact NE1-CE2 3.43Å; W254-W365 AromaticContact NE1-CE3 3.2Å; W254-W365 AromaticContact NE1-CG 3.98Å; W254-W365 AromaticContact NE1-CH2 3.54Å; W254-W365 AromaticContact NE1-CZ2 3.59Å; W254-W365 AromaticContact NE1-CZ3 3.35Å; E279-W365 WeakPolarHBondContact OE1-CZ2 3.25Å; N337-W365 HydrophobicContact CB-CH2 3.79Å; N337-W365 HydrophobicContact CB-CZ2 4.34Å; N337-W365 HydrophobicContact CB-CZ3 4.44Å; M340-W365 HydrophobicContact SD-CH2 4.32Å; M340-W365 HydrophobicContact SD-CZ3 4.15Å; F357-W365 HydrophobicContact CZ-CB 4.09Å; W365-S368 WeakPolarHBondContact O-CB 3.32Å; W365-S368 PolarHBondContact O-N 3.29Å; W365-L369 HydrophobicContact CE3-CD1 3.69Å; W365-L369 HydrophobicContact CE3-CG 4.33Å; W365-L369 HydrophobicContact CZ3-CD1 3.69Å; W365-L369 WeakPolarHBondContact O-CG 3.4Å; W365-L369 PolarHBondContact O-N 3.13Å
366	D	97.1	Very high	97.3	Very high	17 Å²	17	23 Å²	23	9%	0.091	13%	0.129	C	C	.	.	H	α-helix	trans	-74.2	-40.6	-176.2	60.8	-19.2	0	0	0	112.6	W331 S333 N337 N364 S368 L369 Q370	W331-D366 HydrophobicContact CH2-CB 4.36Å; W331-D366 WeakPolarHBondContact CH2-O 2.96Å; S333-D366 WeakPolarHBondContact CB-O 3.41Å; N337-D366 HydrophobicContact CB-CB 3.93Å; N337-D366 PolarHBondContact ND2-OD2 3.4Å; N364-D366 VanDerWaalsContact C-N 3.32Å; N364-D366 WeakPolarHBondContact CB-OD1 3.38Å; N364-D366 PolarHBondContact O-N 3.48Å; D366-S368 VanDerWaalsContact C-N 3.3Å; D366-L369 WeakPolarHBondContact O-CB 3.3Å; D366-L369 PolarHBondContact O-N 2.96Å; D366-Q370 PolarHBondContact O-N 2.8Å
367	W	97.6	Very high	97.2	Very high	47 Å²	47	21.8 Å²	21.8	18%	0.178	12%	0.121	C	C	.	.	H	α-helix	trans	-65.2	-35.2	169.7	-70.7	111.4	0	0	0	112.1	S333 T334 N364 Q370 H371 H448 N451	S333-W367 VanDerWaalsContact OG-CZ3 3.23Å; S333-W367 WeakPolarHBondContact OG-CZ3 3.06Å; T334-W367 HydrophobicContact CG2-CH2 3.35Å; T334-W367 HydrophobicContact CG2-CZ2 3.28Å; T334-W367 HydrophobicContact CG2-CZ3 4.3Å; N364-W367 HydrophobicContact CB-CB 4.16Å; N364-W367 HydrophobicContact CB-CG 4.29Å; W367-Q370 VanDerWaalsContact CE3-OE1 3.28Å; W367-Q370 PolarHBondContact O-N 3.21Å; W367-H371 PolarHBondContact O-N 2.96Å; W367-H448 HydrophobicContact CD2-CB 4.41Å; W367-H448 AromaticContact CD2-CD2 3.32Å; W367-H448 AromaticContact CD2-CG 3.77Å; W367-H448 AromaticContact CD2-NE2 3.62Å; W367-H448 AromaticContact CE2-CD2 3.94Å; W367-H448 AromaticContact CE2-NE2 3.73Å; W367-H448 HydrophobicContact CE3-CB 3.4Å; W367-H448 VanDerWaalsContact CE3-CB 3.4Å; W367-H448 AromaticContact CE3-CD2 3.17Å; W367-H448 AromaticContact CE3-CG 3.11Å; W367-H448 AromaticContact CE3-ND1 3.72Å; W367-H448 AromaticContact CE3-NE2 3.77Å; W367-H448 AromaticContact CG-CD2 3.79Å; W367-H448 AromaticContact CH2-CE1 3.61Å; W367-H448 AromaticContact CH2-CG 3.84Å; W367-H448 AromaticContact CH2-ND1 3.5Å; W367-H448 WeakPolarHBondContact CH2-ND1 3.35Å; W367-H448 AromaticContact CZ2-CE1 3.82Å; W367-H448 AromaticContact CZ2-NE2 3.92Å; W367-H448 HydrophobicContact CZ3-CB 3.51Å; W367-H448 AromaticContact CZ3-CD2 3.63Å; W367-H448 AromaticContact CZ3-CE1 3.76Å; W367-H448 AromaticContact CZ3-CG 3.15Å; W367-H448 AromaticContact CZ3-ND1 3.27Å; W367-H448 VanDerWaalsContact CZ3-ND1 3.27Å; W367-H448 WeakPolarHBondContact CZ3-ND1 3.28Å; W367-H448 AromaticContact CZ3-NE2 3.96Å; W367-N451 VanDerWaalsContact CD1-ND2 3.34Å
368	S	98.1	Very high	96.9	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63.5	-42.9	171.3	-60.4	0	0	0	0	111.5	K251 D362 N364 W365 D366 Q370 H371 L372	K251-S368 WeakPolarHBondContact CE-OG 3.4Å; K251-S368 PolarHBondContact NZ-OG 3.44Å; D362-S368 PolarHBondContact O-OG 2.93Å; D362-S368 VanDerWaalsContact O-OG 3.05Å; N364-S368 WeakPolarHBondContact O-CB 3.44Å; N364-S368 PolarHBondContact O-N 3.18Å; N364-S368 PolarHBondContact O-OG 3.42Å; W365-S368 WeakPolarHBondContact O-CB 3.32Å; W365-S368 PolarHBondContact O-N 3.29Å; D366-S368 VanDerWaalsContact C-N 3.3Å; S368-Q370 VanDerWaalsContact C-N 3.33Å; S368-Q370 PolarHBondContact O-N 3.35Å; S368-H371 WeakPolarHBondContact O-CB 3.4Å; S368-H371 PolarHBondContact O-N 3.48Å; S368-L372 WeakPolarHBondContact O-CG 3.35Å; S368-L372 PolarHBondContact O-N 3.45Å
369	L	97.4	Very high	96.6	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.7	-41.1	172.4	-69.1	-178.2	0	0	0	112	W254 W331 M340 L350 F357 W365 D366 H371 L372 T373 W381	W254-L369 HydrophobicContact CH2-CD1 3.57Å; W254-L369 HydrophobicContact CH2-CD2 4.03Å; W254-L369 HydrophobicContact CH2-CG 4.22Å; W254-L369 HydrophobicContact CZ2-CD1 3.84Å; W254-L369 HydrophobicContact CZ3-CD1 4.24Å; W254-L369 HydrophobicContact CZ3-CD2 4.05Å; W254-L369 HydrophobicContact CZ3-CG 4.44Å; W331-L369 HydrophobicContact CH2-CB 3.74Å; W331-L369 HydrophobicContact CH2-CD1 4.21Å; W331-L369 HydrophobicContact CZ2-CD1 4.39Å; W331-L369 HydrophobicContact CZ3-CB 3.9Å; M340-L369 HydrophobicContact CE-CD1 4.19Å; L350-L369 HydrophobicContact CD2-CD2 3.81Å; F357-L369 HydrophobicContact CD2-CD2 4.16Å; F357-L369 HydrophobicContact CE2-CD2 3.95Å; F357-L369 HydrophobicContact CE2-CG 4.25Å; W365-L369 HydrophobicContact CE3-CD1 3.69Å; W365-L369 HydrophobicContact CE3-CG 4.33Å; W365-L369 HydrophobicContact CZ3-CD1 3.69Å; W365-L369 WeakPolarHBondContact O-CG 3.4Å; W365-L369 PolarHBondContact O-N 3.13Å; D366-L369 WeakPolarHBondContact O-CB 3.3Å; D366-L369 PolarHBondContact O-N 2.96Å; L369-H371 VanDerWaalsContact C-N 3.27Å; L369-H371 PolarHBondContact O-N 2.84Å; L369-L372 HydrophobicContact CD2-CD1 4.1Å; L369-L372 WeakPolarHBondContact O-CB 3.42Å; L369-L372 PolarHBondContact O-N 3.47Å; L369-T373 WeakPolarHBondContact O-CG2 3.49Å; L369-T373 PolarHBondContact O-N 3.48Å; L369-W381 HydrophobicContact CB-CZ3 4.35Å; L369-W381 HydrophobicContact CD1-CH2 4.34Å; L369-W381 HydrophobicContact CD1-CZ3 4.13Å; L369-W381 HydrophobicContact CD2-CH2 4.28Å
370	Q	96.1	Very high	96.2	Very high	6 Å²	6	29.4 Å²	29.4	3%	0.028	17%	0.167	C	C	.	.	H	α-helix	trans	-61.2	-40.8	177.4	-174.7	169.4	-13.7	0	0	110.8	W331 S333 D366 W367 S368 L372 T373 V445 A446	W331-Q370 HydrophobicContact CZ3-CB 3.86Å; S333-Q370 PolarHBondContact OG-OE1 3.48Å; D366-Q370 PolarHBondContact O-N 2.8Å; W367-Q370 VanDerWaalsContact CE3-OE1 3.28Å; W367-Q370 PolarHBondContact O-N 3.21Å; S368-Q370 VanDerWaalsContact C-N 3.33Å; S368-Q370 PolarHBondContact O-N 3.35Å; Q370-L372 VanDerWaalsContact C-N 3.31Å; Q370-L372 PolarHBondContact O-N 3.06Å; Q370-T373 PolarHBondContact O-N 3.2Å; Q370-T373 PolarHBondContact O-OG1 3.23Å; Q370-V445 VanDerWaalsContact NE2-CG1 3.27Å; Q370-A446 PolarHBondContact NE2-O 3.5Å
371	H	96.5	Very high	96.1	Very high	37 Å²	37	28.7 Å²	28.7	17%	0.171	17%	0.165	C	C	.	.	H	α-helix	trans	-60.2	-40.9	173.3	-179	67.1	0	0	0	112	Y360 W367 S368 L369 T373 V374 A375	Y360-H371 HydrophobicContact CD1-CB 3.84Å; Y360-H371 HydrophobicContact CD2-CB 4.23Å; Y360-H371 AromaticContact CD2-CD2 3.23Å; Y360-H371 WeakPolarHBondContact CD2-CD2 3.34Å; Y360-H371 AromaticContact CD2-CE1 3.72Å; Y360-H371 AromaticContact CD2-CG 3.49Å; Y360-H371 VanDerWaalsContact CD2-CG 3.49Å; Y360-H371 AromaticContact CD2-ND1 3.79Å; Y360-H371 AromaticContact CD2-NE2 3.39Å; Y360-H371 WeakPolarHBondContact CD2-NE2 3.34Å; Y360-H371 HydrophobicContact CE1-CB 3.64Å; Y360-H371 AromaticContact CE1-CG 3.95Å; Y360-H371 HydrophobicContact CE2-CB 4.06Å; Y360-H371 AromaticContact CE2-CD2 3.69Å; Y360-H371 AromaticContact CE2-CE1 3.6Å; Y360-H371 AromaticContact CE2-CG 3.44Å; Y360-H371 VanDerWaalsContact CE2-CG 3.44Å; Y360-H371 AromaticContact CE2-ND1 3.39Å; Y360-H371 WeakPolarHBondContact CE2-ND1 3.27Å; Y360-H371 AromaticContact CE2-NE2 3.78Å; Y360-H371 HydrophobicContact CG-CB 4.12Å; Y360-H371 AromaticContact CG-CD2 3.47Å; Y360-H371 VanDerWaalsContact CG-CD2 3.47Å; Y360-H371 AromaticContact CG-CG 3.79Å; Y360-H371 AromaticContact CZ-CG 3.67Å; Y360-H371 AromaticContact CZ-ND1 3.81Å; W367-H371 PolarHBondContact O-N 2.96Å; S368-H371 WeakPolarHBondContact O-CB 3.4Å; S368-H371 PolarHBondContact O-N 3.48Å; L369-H371 VanDerWaalsContact C-N 3.27Å; L369-H371 PolarHBondContact O-N 2.84Å; H371-T373 PolarHBondContact O-N 2.99Å; H371-V374 WeakPolarHBondContact O-CG2 3.28Å; H371-V374 PolarHBondContact O-N 2.73Å; H371-V374 VanDerWaalsContact O-N 3.12Å; H371-A375 VanDerWaalsContact CE1-CB 3.44Å; H371-A375 WeakPolarHBondContact CE1-CB 3.46Å; H371-A375 WeakPolarHBondContact NE2-CB 3.3Å; H371-A375 VanDerWaalsContact O-CB 3.29Å; H371-A375 WeakPolarHBondContact O-CB 3.41Å; H371-A375 PolarHBondContact O-N 2.81Å
372	L	97	Very high	95.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-58.5	-35.7	176.5	-59.7	-170.3	0	0	0	112.8	L350 C353 T356 F357 S368 L369 Q370 V374 A375 C376 L377	L350-L372 HydrophobicContact CD2-CD1 3.9Å; C353-L372 HydrophobicContact CB-CD1 3.89Å; C353-L372 HydrophobicContact CB-CD2 4.01Å; C353-L372 HydrophobicContact CB-CG 4.45Å; T356-L372 HydrophobicContact CG2-CD2 3.68Å; F357-L372 HydrophobicContact CB-CD1 4.14Å; F357-L372 HydrophobicContact CB-CD2 4.14Å; F357-L372 HydrophobicContact CD2-CD1 4Å; F357-L372 HydrophobicContact CD2-CG 4.44Å; S368-L372 WeakPolarHBondContact O-CG 3.35Å; S368-L372 PolarHBondContact O-N 3.45Å; L369-L372 HydrophobicContact CD2-CD1 4.1Å; L369-L372 WeakPolarHBondContact O-CB 3.42Å; L369-L372 PolarHBondContact O-N 3.47Å; Q370-L372 VanDerWaalsContact C-N 3.31Å; Q370-L372 PolarHBondContact O-N 3.06Å; L372-V374 PolarHBondContact O-N 2.74Å; L372-V374 VanDerWaalsContact O-N 3.11Å; L372-A375 PolarHBondContact O-N 3.13Å; L372-C376 HydrophobicContact CD2-CB 4.29Å; L372-C376 PolarHBondContact O-N 2.72Å; L372-C376 VanDerWaalsContact O-N 3.08Å; L372-L377 HydrophobicContact CB-CD1 4.16Å; L372-L377 HydrophobicContact CB-CG 4.17Å; L372-L377 PolarHBondContact O-N 3.4Å
373	T	94.1	Very high	95.9	Very high	6 Å²	6	30.3 Å²	30.3	4%	0.037	17%	0.171	C	C	.	.	H	α-helix	trans	-62.8	-17.3	-179.8	72.4	0	0	0	0	114.2	W331 L369 Q370 H371 L377 Y380 W381	W331-T373 HydrophobicContact CE3-CG2 4.28Å; L369-T373 WeakPolarHBondContact O-CG2 3.49Å; L369-T373 PolarHBondContact O-N 3.48Å; Q370-T373 PolarHBondContact O-N 3.2Å; Q370-T373 PolarHBondContact O-OG1 3.23Å; H371-T373 PolarHBondContact O-N 2.99Å; T373-L377 HydrophobicContact CG2-CD1 4.19Å; T373-Y380 VanDerWaalsContact O-CA 3.25Å; T373-Y380 WeakPolarHBondContact O-CA 3.41Å; T373-Y380 WeakPolarHBondContact O-CB 3.14Å; T373-W381 HydrophobicContact CG2-CB 4.22Å; T373-W381 HydrophobicContact CG2-CD2 4.26Å; T373-W381 HydrophobicContact CG2-CE3 4.13Å; T373-W381 HydrophobicContact CG2-CG 4.29Å
374	V	92.6	Very high	95.9	Very high	63 Å²	63	28.2 Å²	28.2	38%	0.382	16%	0.163	S	C	.	.	H	α-helix	trans	-117.8	-18.6	179.8	-64.7	0	0	0	0	113.6	H371 L372 V445 P447	H371-V374 WeakPolarHBondContact O-CG2 3.28Å; H371-V374 PolarHBondContact O-N 2.73Å; H371-V374 VanDerWaalsContact O-N 3.12Å; L372-V374 PolarHBondContact O-N 2.74Å; L372-V374 VanDerWaalsContact O-N 3.11Å; V374-V445 VanDerWaalsContact CG1-O 3.23Å; V374-V445 WeakPolarHBondContact CG1-O 3.41Å; V374-P447 HydrophobicContact CG2-CB 4.25Å; V374-P447 HydrophobicContact CG2-CG 4.07Å
375	A	94.5	Very high	95.8	Very high	53 Å²	53	27.4 Å²	27.4	44%	0.438	16%	0.159	S	C	.	.	H	α-helix	trans	-115.5	-18.1	-170.7	0	0	0	0	0	115	T356 H371 L372	T356-A375 HydrophobicContact CG2-CB 4.43Å; H371-A375 VanDerWaalsContact CE1-CB 3.44Å; H371-A375 WeakPolarHBondContact CE1-CB 3.46Å; H371-A375 WeakPolarHBondContact NE2-CB 3.3Å; H371-A375 VanDerWaalsContact O-CB 3.29Å; H371-A375 WeakPolarHBondContact O-CB 3.41Å; H371-A375 PolarHBondContact O-N 2.81Å; L372-A375 PolarHBondContact O-N 3.13Å
376	C	97.1	Very high	95.7	Very high	46 Å²	46	26.8 Å²	26.8	31%	0.311	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-141.6	-43.7	-175.4	179	0	0	0	0	114.5	C353 T356 L372	C353-C376 WeakPolarHBondContact CA-SG 3.41Å; C353-C376 HydrophobicContact CB-CB 3.83Å; C353-C376 WeakPolarHBondContact CB-SG 3.5Å; C353-C376 VanDerWaalsContact SG-C 3.55Å; C353-C376 WeakPolarHBondContact SG-CB 3.41Å; C353-C376 CovalentContact SG-SG 2.03Å; C353-C376 PolarHBondContact SG-SG 2.72Å; T356-C376 HydrophobicContact CG2-CB 4.11Å; L372-C376 HydrophobicContact CD2-CB 4.29Å; L372-C376 PolarHBondContact O-N 2.72Å; L372-C376 VanDerWaalsContact O-N 3.08Å
377	L	96.4	Very high	95.6	Very high	15 Å²	15	27 Å²	27	8%	0.079	16%	0.157	C	C	.	.	S	Bend	trans	-61.5	146.1	-177.8	-71.1	170.3	0	0	0	110.8	K349 L350 L372 T373 S379 W381	K349-L377 HydrophobicContact CB-CD2 4.04Å; L350-L377 HydrophobicContact CD2-CD2 4.47Å; L372-L377 HydrophobicContact CB-CD1 4.16Å; L372-L377 HydrophobicContact CB-CG 4.17Å; L372-L377 PolarHBondContact O-N 3.4Å; T373-L377 HydrophobicContact CG2-CD1 4.19Å; L377-S379 WeakPolarHBondContact CB-O 3.27Å; L377-S379 PolarHBondContact O-N 2.76Å; L377-S379 VanDerWaalsContact O-N 3.1Å; L377-W381 HydrophobicContact CD1-CD2 4.03Å; L377-W381 HydrophobicContact CD1-CG 4.2Å; L377-W381 HydrophobicContact CD1-CZ2 4.23Å
378	P	92.7	Very high	95.5	Very high	108 Å²	108	24.8 Å²	24.8	70%	0.701	15%	0.149	S	C	*	.	S	Bend	trans	-58.2	-28.8	-179	-24.7	33.4	0	0	0	113.6
379	S	91.8	Very high	95.4	Very high	64 Å²	64	25.1 Å²	25.1	45%	0.448	15%	0.151	S	C	.	.	S	Bend	trans	-146.2	155.5	172.1	57.9	0	0	0	0	109.3	L377	L377-S379 WeakPolarHBondContact CB-O 3.27Å; L377-S379 PolarHBondContact O-N 2.76Å; L377-S379 VanDerWaalsContact O-N 3.1Å
380	Y	92.1	Very high	95.3	Very high	47 Å²	47	25.1 Å²	25.1	18%	0.184	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-59.9	147	168.5	68.9	-91	0	0	0	109.8	A330 T373 K382 A442	A330-Y380 HydrophobicContact CB-CD2 3.92Å; A330-Y380 HydrophobicContact CB-CE2 3.95Å; T373-Y380 VanDerWaalsContact O-CA 3.25Å; T373-Y380 WeakPolarHBondContact O-CA 3.41Å; T373-Y380 WeakPolarHBondContact O-CB 3.14Å; Y380-K382 HydrophobicContact CE2-CG 3.9Å; Y380-K382 PolarHBondContact O-N 3.09Å; Y380-K382 WeakPolarHBondContact OH-CE 3.39Å; Y380-A442 PolarHBondContact OH-O 3.44Å
381	W	94.8	Very high	95.4	Very high	3 Å²	3	24.9 Å²	24.9	1%	0.011	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-70.2	132.3	-179.8	-81.7	-18.1	0	0	0	112.5	D307 I308 A330 W331 M340 T346 L350 L369 T373 L377	D307-W381 HydrophobicContact CB-CB 4.4Å; D307-W381 VanDerWaalsContact CB-CD1 3.48Å; D307-W381 HydrophobicContact CB-CG 4.05Å; D307-W381 WeakPolarHBondContact OD2-CA 3.33Å; I308-W381 HydrophobicContact CD1-CD2 3.43Å; I308-W381 VanDerWaalsContact CD1-CD2 3.43Å; I308-W381 HydrophobicContact CD1-CE3 3.24Å; I308-W381 HydrophobicContact CD1-CG 4.19Å; I308-W381 HydrophobicContact CD1-CH2 3.44Å; I308-W381 VanDerWaalsContact CD1-CH2 3.44Å; I308-W381 HydrophobicContact CD1-CZ2 3.63Å; I308-W381 HydrophobicContact CD1-CZ3 3.27Å; I308-W381 HydrophobicContact CG1-CD2 4.22Å; I308-W381 HydrophobicContact CG1-CE3 4.42Å; A330-W381 WeakPolarHBondContact CA-O 3.41Å; W331-W381 HydrophobicContact CB-CB 3.67Å; W331-W381 HydrophobicContact CB-CE3 4.32Å; W331-W381 AromaticContact CD2-CE3 3.89Å; W331-W381 HydrophobicContact CD2-CE3 3.89Å; W331-W381 HydrophobicContact CD2-CZ3 4.31Å; W331-W381 HydrophobicContact CE3-CE3 4.12Å; W331-W381 HydrophobicContact CG-CB 4.49Å; W331-W381 AromaticContact CG-CE3 3.98Å; W331-W381 HydrophobicContact CG-CE3 3.98Å; W331-W381 PolarHBondContact N-O 3.43Å; M340-W381 HydrophobicContact CE-CH2 4.29Å; M340-W381 HydrophobicContact CE-CZ3 3.83Å; T346-W381 HydrophobicContact CG2-CZ2 3.91Å; L350-W381 HydrophobicContact CD1-CH2 3.65Å; L350-W381 HydrophobicContact CD1-CZ2 3.58Å; L350-W381 HydrophobicContact CD2-CH2 3.51Å; L350-W381 HydrophobicContact CD2-CZ2 3.34Å; L350-W381 HydrophobicContact CG-CH2 3.88Å; L350-W381 HydrophobicContact CG-CZ2 3.44Å; L350-W381 VanDerWaalsContact CG-CZ2 3.44Å; L369-W381 HydrophobicContact CB-CZ3 4.35Å; L369-W381 HydrophobicContact CD1-CH2 4.34Å; L369-W381 HydrophobicContact CD1-CZ3 4.13Å; L369-W381 HydrophobicContact CD2-CH2 4.28Å; T373-W381 HydrophobicContact CG2-CB 4.22Å; T373-W381 HydrophobicContact CG2-CD2 4.26Å; T373-W381 HydrophobicContact CG2-CE3 4.13Å; T373-W381 HydrophobicContact CG2-CG 4.29Å; L377-W381 HydrophobicContact CD1-CD2 4.03Å; L377-W381 HydrophobicContact CD1-CG 4.2Å; L377-W381 HydrophobicContact CD1-CZ2 4.23Å
382	K	95.8	Very high	95.3	Very high	44 Å²	44	24.3 Å²	24.3	19%	0.191	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	127.6	161.9	-67.6	-178.7	-171.2	-177.7	0	109.6	D305 D307 I308 V328 K329 Y380	D305-K382 WeakPolarHBondContact OD2-CD 3.35Å; D305-K382 WeakPolarHBondContact OD2-CE 3.33Å; D305-K382 IonicContact OD2-NZ 2.61Å; D305-K382 PolarHBondContact OD2-NZ 2.88Å; D307-K382 PolarHBondContact N-O 2.99Å; D307-K382 PolarHBondContact OD2-N 2.7Å; I308-K382 PolarHBondContact N-O 3.27Å; V328-K382 HydrophobicContact CG1-CB 4.4Å; K329-K382 CarbonylContact O-C 3.58Å; K329-K382 WeakPolarHBondContact O-CA 3.44Å; Y380-K382 HydrophobicContact CE2-CG 3.9Å; Y380-K382 PolarHBondContact O-N 3.09Å; Y380-K382 WeakPolarHBondContact OH-CE 3.39Å
383	V	97.1	Very high	95.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	128.3	177.2	61.3	0	0	0	0	110	I308 V328 K329 W331 H336 V385	I308-V383 HydrophobicContact CB-CG2 4.39Å; I308-V383 HydrophobicContact CG2-CG2 4.2Å; I308-V383 WeakPolarHBondContact O-CA 3.48Å; V328-V383 CarbonylContact C-O 2.95Å; V328-V383 WeakPolarHBondContact CA-O 3.34Å; K329-V383 HydrophobicContact CB-CG1 4.02Å; K329-V383 PolarHBondContact N-O 2.99Å; K329-V383 WeakPolarHBondContact O-CG1 3.31Å; K329-V383 PolarHBondContact O-N 3.4Å; W331-V383 HydrophobicContact CB-CB 4.23Å; W331-V383 HydrophobicContact CB-CG1 4.12Å; H336-V383 HydrophobicContact CB-CG1 4.45Å; V383-V385 HydrophobicContact CG2-CB 4.43Å
384	M	98	Very high	94.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	118.5	162	-175.5	-174.4	-67.6	0	0	107.9	M295 L298 K299 C303 I308 L309 S310 V326 E327 I433	M295-M384 HydrophobicContact CB-SD 4.12Å; M295-M384 HydrophobicContact CE-CB 4.25Å; M295-M384 HydrophobicContact CE-CG 3.85Å; M295-M384 WeakPolarHBondContact CE-O 3.24Å; M295-M384 HydrophobicContact CE-SD 4.28Å; M295-M384 HydrophobicContact CG-SD 4.36Å; L298-M384 HydrophobicContact CB-CE 4.46Å; L298-M384 HydrophobicContact CD2-CE 4.35Å; L298-M384 HydrophobicContact CD2-SD 4.19Å; L298-M384 HydrophobicContact CG-CE 4.2Å; K299-M384 HydrophobicContact CB-CE 4.12Å; C303-M384 HydrophobicContact CB-CE 3.73Å; I308-M384 PolarHBondContact O-N 2.86Å; L309-M384 CarbonylContact C-O 3.51Å; L309-M384 WeakPolarHBondContact CA-O 3.47Å; L309-M384 HydrophobicContact CD2-CB 3.76Å; L309-M384 HydrophobicContact CD2-CG 4.48Å; L309-M384 HydrophobicContact CD2-SD 4.26Å; S310-M384 PolarHBondContact N-O 3.13Å; V326-M384 HydrophobicContact CB-CG 3.96Å; V326-M384 HydrophobicContact CB-SD 4.49Å; V326-M384 HydrophobicContact CG2-CG 3.87Å; V326-M384 HydrophobicContact CG2-SD 3.96Å; E327-M384 CarbonylContact O-C 3.35Å; E327-M384 WeakPolarHBondContact O-CA 3.42Å; M384-I433 HydrophobicContact CE-CD1 4.06Å
385	V	97.2	Very high	94.4	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.018	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	141.1	-175	59.9	0	0	0	0	111.2	S310 V326 E327 K329 V383	S310-V385 WeakPolarHBondContact O-CA 3.46Å; V326-V385 CarbonylContact C-O 3.6Å; V326-V385 WeakPolarHBondContact CA-O 3.5Å; V326-V385 WeakPolarHBondContact CB-O 3.22Å; E327-V385 HydrophobicContact CB-CG1 4.29Å; E327-V385 PolarHBondContact N-O 2.91Å; E327-V385 PolarHBondContact O-N 2.78Å; K329-V385 HydrophobicContact CD-CG1 4.14Å; V383-V385 HydrophobicContact CG2-CB 4.43Å
386	S	96.3	Very high	93.3	Very high	4 Å²	4	21.8 Å²	21.8	3%	0.028	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	131.5	174.1	-168.4	0	0	0	0	112.2	S310 L311 A388 R390	S310-S386 PolarHBondContact O-N 3.18Å; L311-S386 WeakPolarHBondContact O-CB 3.41Å; S386-A388 VanDerWaalsContact C-N 3.32Å; S386-A388 WeakPolarHBondContact CB-O 3.28Å; S386-A388 PolarHBondContact OG-O 3.3Å; S386-R390 PolarHBondContact OG-NH1 3.37Å
387	E	95	Very high	91.6	Very high	21 Å²	21	20 Å²	20	10%	0.098	11%	0.111	C	C	.	.	S	Bend	trans	-68.9	-32	174	-77.9	-161.5	-132.7	0	0	112.6	I317 K322 K325 E327 T434	I317-E387 WeakPolarHBondContact CG2-O 3.33Å; K322-E387 HydrophobicContact CB-CB 4.09Å; K322-E387 HydrophobicContact CD-CB 4.48Å; K322-E387 HydrophobicContact CG-CB 4.46Å; K325-E387 HydrophobicContact CB-CB 4.1Å; K325-E387 HydrophobicContact CB-CG 3.98Å; K325-E387 WeakPolarHBondContact CB-OE1 3.43Å; K325-E387 PolarHBondContact O-N 3.4Å; E327-E387 HydrophobicContact CG-CG 3.71Å; E387-T434 WeakPolarHBondContact OE1-CB 3.41Å; E387-T434 PolarHBondContact OE1-OG1 3.46Å
388	A	94.8	Very high	90.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-106.2	113.4	171	0	0	0	0	0	108.7	Y319 K322 S386 R390	Y319-A388 HydrophobicContact CD1-CB 4.05Å; Y319-A388 HydrophobicContact CD2-CB 4.13Å; Y319-A388 HydrophobicContact CE1-CB 4.18Å; Y319-A388 HydrophobicContact CE2-CB 4.27Å; Y319-A388 HydrophobicContact CG-CB 4.02Å; K322-A388 HydrophobicContact CB-CB 4.27Å; S386-A388 VanDerWaalsContact C-N 3.32Å; S386-A388 WeakPolarHBondContact CB-O 3.28Å; S386-A388 PolarHBondContact OG-O 3.3Å; A388-R390 WeakPolarHBondContact O-CD 3.47Å; A388-R390 PolarHBondContact O-N 3.19Å; A388-R390 PolarHBondContact O-NH1 3.09Å
389	P	95.4	Very high	88.4	Confident	7 Å²	7	20.4 Å²	20.4	5%	0.045	11%	0.113	C	C	.	.			trans	-67.7	133.3	-167.7	26.3	-34.7	0	0	0	112.3	L311 Y319 V391 F392	L311-P389 CarbonylContact O-C 3.58Å; L311-P389 WeakPolarHBondContact O-CA 3.03Å; Y319-P389 PolarHBondContact OH-O 2.78Å; P389-V391 WeakPolarHBondContact CB-O 3.44Å; P389-F392 HydrophobicContact CG-CE1 4.04Å; P389-F392 HydrophobicContact CG-CZ 4.48Å; P389-F392 VanDerWaalsContact O-CZ 3.28Å; P389-F392 WeakPolarHBondContact O-CZ 3.12Å
390	R	96.8	Very high	87.1	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	-95.8	0.3	172	-85.7	37.6	-173	-139.9	-2.3	112.6	L284 S285 D287 F288 L291 L311 A323 S386 A388	L284-R390 WeakPolarHBondContact CA-O 3.49Å; S285-R390 PolarHBondContact N-O 3.28Å; S285-R390 WeakPolarHBondContact OG-CA 2.95Å; S285-R390 WeakPolarHBondContact OG-CB 3.36Å; S285-R390 WeakPolarHBondContact OG-CG 3.5Å; D287-R390 IonicContact OD1-NE 2.86Å; D287-R390 PolarHBondContact OD1-NE 3.16Å; D287-R390 VanDerWaalsContact OD1-NE 3.07Å; D287-R390 IonicContact OD2-CZ 2.66Å; D287-R390 IonicContact OD2-NE 2.77Å; D287-R390 PolarHBondContact OD2-NE 3.47Å; D287-R390 IonicContact OD2-NH2 2.71Å; D287-R390 PolarHBondContact OD2-NH2 3.02Å; F288-R390 HydrophobicContact CB-CB 3.97Å; F288-R390 HydrophobicContact CB-CG 4.32Å; L291-R390 HydrophobicContact CB-CG 4.1Å; L291-R390 HydrophobicContact CD2-CB 4.15Å; L291-R390 HydrophobicContact CD2-CG 3.53Å; L291-R390 HydrophobicContact CG-CG 4.34Å; L311-R390 HydrophobicContact CB-CB 4.06Å; L311-R390 HydrophobicContact CD2-CB 4.13Å; L311-R390 PolarHBondContact O-N 2.91Å; A323-R390 PolarHBondContact O-NH1 3Å; A323-R390 PolarHBondContact O-NH2 3.29Å; S386-R390 PolarHBondContact OG-NH1 3.37Å; A388-R390 WeakPolarHBondContact O-CD 3.47Å; A388-R390 PolarHBondContact O-N 3.19Å; A388-R390 PolarHBondContact O-NH1 3.09Å
391	V	96.6	Very high	85.6	Confident	1 Å²	1	24.9 Å²	24.9	1%	0.006	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	137.2	173.3	63.2	0	0	0	0	108.7	H282 Y283 L284 L311 M338 P389	H282-V391 HydrophobicContact CB-CG2 3.92Å; Y283-V391 CarbonylContact O-C 3.56Å; Y283-V391 WeakPolarHBondContact O-CA 3.28Å; L284-V391 HydrophobicContact CD2-CB 3.84Å; L284-V391 HydrophobicContact CD2-CG2 3.82Å; L311-V391 HydrophobicContact CB-CB 3.94Å; L311-V391 HydrophobicContact CB-CG1 3.64Å; L311-V391 HydrophobicContact CD1-CB 4.4Å; M338-V391 HydrophobicContact CB-CG1 3.9Å; M338-V391 HydrophobicContact CB-CG2 4.4Å; P389-V391 WeakPolarHBondContact CB-O 3.44Å
392	F	94.6	Very high	83.7	Confident	25 Å²	25	35 Å²	35	11%	0.11	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	141.6	179.6	-56	-95.5	0	0	0	109.5	H282 Y283 Y319 P389 A394 I415 L419	H282-F392 CarbonylContact C-O 3.17Å; H282-F392 VanDerWaalsContact CA-O 3.28Å; H282-F392 WeakPolarHBondContact CA-O 3.18Å; Y283-F392 PolarHBondContact N-O 2.84Å; Y283-F392 PolarHBondContact O-N 3.17Å; Y319-F392 HydrophobicContact CE2-CZ 4.2Å; P389-F392 HydrophobicContact CG-CE1 4.04Å; P389-F392 HydrophobicContact CG-CZ 4.48Å; P389-F392 VanDerWaalsContact O-CZ 3.28Å; P389-F392 WeakPolarHBondContact O-CZ 3.12Å; F392-A394 PolarHBondContact O-N 3.32Å; F392-I415 HydrophobicContact CB-CD1 3.78Å; F392-I415 HydrophobicContact CB-CG1 4.03Å; F392-I415 HydrophobicContact CB-CG2 4.28Å; F392-I415 HydrophobicContact CD1-CG1 4.41Å; F392-I415 HydrophobicContact CD1-CG2 4.35Å; F392-I415 HydrophobicContact CD2-CG2 3.77Å; F392-I415 HydrophobicContact CE2-CG2 4.16Å; F392-I415 HydrophobicContact CG-CD1 4.47Å; F392-I415 HydrophobicContact CG-CG1 4.23Å; F392-I415 HydrophobicContact CG-CG2 3.88Å; F392-L419 HydrophobicContact CE2-CD1 4.27Å; F392-L419 HydrophobicContact CE2-CD2 3.94Å; F392-L419 HydrophobicContact CE2-CG 4.28Å; F392-L419 HydrophobicContact CZ-CD2 4Å; F392-L419 HydrophobicContact CZ-CG 4.38Å
393	H	92.9	Very high	82	Confident	53 Å²	53	39.2 Å²	39.2	25%	0.245	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	106.7	170.7	-170.1	-97.5	0	0	0	109.6	D281 Y314 M338 G395	D281-H393 IonicContact OD2-CD2 3.25Å; D281-H393 IonicContact OD2-CE1 3.62Å; D281-H393 IonicContact OD2-NE2 3.07Å; D281-H393 PolarHBondContact OD2-NE2 3.24Å; Y314-H393 HydrophobicContact CD1-CB 4.24Å; Y314-H393 HydrophobicContact CE1-CB 3.95Å; M338-H393 HydrophobicContact SD-CB 3.84Å; H393-G395 PolarHBondContact CE1-O 2.81Å; H393-G395 PolarHBondContact ND1-O 2.03Å
394	A	90.8	Very high	80	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.236	C	C	.	.			trans	-82.1	-22.1	175.6	0	0	0	0	0	111.9	Y150 L153 D281 F392 D396 Q411 I415	Y150-A394 HydrophobicContact CD1-CB 4.22Å; Y150-A394 VanDerWaalsContact CE1-O 3.27Å; Y150-A394 WeakPolarHBondContact CE1-O 3.48Å; L153-A394 HydrophobicContact CD1-CB 4.33Å; D281-A394 WeakPolarHBondContact O-CA 3.04Å; D281-A394 WeakPolarHBondContact O-CB 3.16Å; D281-A394 PolarHBondContact O-N 3.11Å; F392-A394 PolarHBondContact O-N 3.32Å; A394-D396 PolarHBondContact O-N 2.98Å; A394-Q411 WeakPolarHBondContact O-CG 3.31Å; A394-I415 HydrophobicContact CB-CD1 4.13Å
395	G	81.4	Confident	78.2	Confident	4 Å²	4	48.4 Å²	48.4	4%	0.041	26%	0.262	C	S	.	.			trans	-55	117.6	177.1	0	0	0	0	0	112.1	D281 H393	D281-G395 PolarHBondContact O-N 2.75Å; H393-G395 PolarHBondContact CE1-O 2.81Å; H393-G395 PolarHBondContact ND1-O 2.03Å
396	D	71.4	Confident	76.9	Confident	12 Å²	12	51 Å²	51	6%	0.064	28%	0.279	C	S	.	.	S	Bend	trans	-115.9	0.6	170.9	74.3	-41.8	0	0	0	112.7	Y150 A394 H401 M407 Q411	Y150-D396 PolarHBondContact OH-N 2.7Å; Y150-D396 VanDerWaalsContact OH-N 3.08Å; Y150-D396 PolarHBondContact OH-OD1 2.98Å; A394-D396 PolarHBondContact O-N 2.98Å; D396-H401 PolarHBondContact O-ND1 2.87Å; D396-M407 PolarHBondContact OD1-N 2.63Å; D396-M407 PolarHBondContact OD2-N 3.33Å; D396-M407 VanDerWaalsContact OD2-N 3.13Å; D396-Q411 HydrophobicContact CB-CG 4.03Å
397	C	62.5	Low	76.1	Confident	10 Å²	10	55.9 Å²	55.9	7%	0.068	30%	0.303	C	S	.	.	S	Bend	trans	-142.6	157.1	170	73.7	0	0	0	0	110.2	R147 Y150 C406	R147-C397 PolarHBondContact NH1-O 3.37Å; R147-C397 VanDerWaalsContact NH1-O 3.17Å; Y150-C397 PolarHBondContact OH-N 3.12Å; Y150-C397 PolarHBondContact OH-SG 3.17Å; C397-C406 HydrophobicContact CB-CB 3.9Å; C397-C406 WeakPolarHBondContact CB-SG 3.41Å; C397-C406 WeakPolarHBondContact SG-CB 3.22Å; C397-C406 CovalentContact SG-SG 2.01Å; C397-C406 PolarHBondContact SG-SG 3.12Å
398	G	63.3	Low	75.5	Confident	32 Å²	32	55.8 Å²	55.8	33%	0.33	30%	0.304	S	S	.	.	S	Bend	trans	154.4	-171	-174.5	0	0	0	0	0	112.4	H400 H401	G398-H400 PolarHBondContact O-N 2.75Å; G398-H401 PolarHBondContact N-CD2 3.29Å; G398-H401 PolarHBondContact O-N 3.01Å
399	M	58.7	Low	75	Confident	99 Å²	99	62 Å²	62	49%	0.488	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-28.3	-172.6	-67.5	-161.5	-60.1	0	0	114.9	T250	T250-M399 HydrophobicContact CG2-CE 4.06Å; T250-M399 VanDerWaalsContact OG1-CE 3.27Å; T250-M399 WeakPolarHBondContact OG1-CE 3.03Å
400	H	62.7	Low	74.6	Confident	121 Å²	121	64.2 Å²	64.2	56%	0.56	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.9	0.6	-176.9	-54.5	-75.2	0	0	0	114.1	G398	G398-H400 PolarHBondContact O-N 2.75Å
401	H	62.3	Low	74.1	Confident	83 Å²	83	66.4 Å²	66.4	38%	0.384	36%	0.362	S	S	.	.			trans	-94.1	134.6	-177.1	-71	-82.7	0	0	0	111.8	D396 G398 K403	D396-H401 PolarHBondContact O-ND1 2.87Å; G398-H401 PolarHBondContact N-CD2 3.29Å; G398-H401 PolarHBondContact O-N 3.01Å; H401-K403 VanDerWaalsContact C-N 3.34Å
402	K	54.1	Low	73.7	Confident	217 Å²	217	68.6 Å²	68.6	94%	0.943	37%	0.372	S	S	*	.			trans	-85.5	-2.3	175.5	-62.2	-174.4	179	-176.6	0	114
403	K	60.5	Low	73.6	Confident	131 Å²	131	70.5 Å²	70.5	57%	0.57	39%	0.385	S	S	*	.			trans	-77.3	131.8	-176.6	-69.1	-172.7	-176.6	175.6	0	110.1	H401	H401-K403 VanDerWaalsContact C-N 3.34Å
404	A	54.8	Low	73.4	Confident	115 Å²	115	72.4 Å²	72.4	95%	0.95	39%	0.393	S	S	*	.	S	Bend	trans	-75.2	-21.8	179.7	0	0	0	0	0	113.9
405	S	60.8	Low	73.5	Confident	78 Å²	78	72.9 Å²	72.9	55%	0.545	40%	0.395	S	S	.	.	S	Bend	trans	-128.1	132.5	-179.2	-174.9	0	0	0	0	111
406	C	69.4	Low	74	Confident	58 Å²	58	74.3 Å²	74.3	39%	0.392	40%	0.401	S	S	.	.			trans	-83.7	136.1	174	-51.8	0	0	0	0	109.2	C397 P408	C397-C406 HydrophobicContact CB-CB 3.9Å; C397-C406 WeakPolarHBondContact CB-SG 3.41Å; C397-C406 WeakPolarHBondContact SG-CB 3.22Å; C397-C406 CovalentContact SG-SG 2.01Å; C397-C406 PolarHBondContact SG-SG 3.12Å; C406-P408 VanDerWaalsContact C-CD 3.41Å; C406-P408 WeakPolarHBondContact O-CD 3.46Å
407	M	80.1	Confident	75.1	Confident	106 Å²	106	78 Å²	78	52%	0.522	42%	0.421	S	S	.	.			trans	-122.9	66.5	175.4	-64.6	-70.3	-67.3	0	0	111.6	D396 I409 S410 Q411	D396-M407 PolarHBondContact OD1-N 2.63Å; D396-M407 PolarHBondContact OD2-N 3.33Å; D396-M407 VanDerWaalsContact OD2-N 3.13Å; M407-I409 VanDerWaalsContact C-N 3.25Å; M407-I409 PolarHBondContact O-N 2.85Å; M407-I409 VanDerWaalsContact O-N 3.16Å; M407-S410 WeakPolarHBondContact CB-OG 3.47Å; M407-S410 PolarHBondContact O-N 3.15Å; M407-S410 PolarHBondContact O-OG 2.79Å; M407-Q411 PolarHBondContact O-N 3.45Å
408	P	80.9	Confident	76.5	Confident	19 Å²	19	79.9 Å²	79.9	12%	0.123	43%	0.429	C	S	.	.	H	α-helix	trans	-57.5	-35.9	-176.1	-22.9	32.7	0	0	0	113.6	D149 Y150 L153 C406 Q411 K412	D149-P408 HydrophobicContact CB-CG 4.12Å; Y150-P408 HydrophobicContact CD1-CB 3.97Å; Y150-P408 HydrophobicContact CD1-CG 4.22Å; Y150-P408 HydrophobicContact CE1-CB 3.74Å; Y150-P408 HydrophobicContact CE1-CG 3.78Å; Y150-P408 HydrophobicContact CE2-CG 4.44Å; L153-P408 HydrophobicContact CD1-CB 3.79Å; L153-P408 WeakPolarHBondContact CD1-O 3.34Å; C406-P408 VanDerWaalsContact C-CD 3.41Å; C406-P408 WeakPolarHBondContact O-CD 3.46Å; P408-Q411 PolarHBondContact O-N 2.95Å; P408-K412 PolarHBondContact O-N 2.91Å
409	I	85.8	Confident	77.9	Confident	130 Å²	130	79 Å²	79	67%	0.667	42%	0.417	S	S	*	.	H	α-helix	trans	-66.3	-41.1	-177	-60.8	173.8	0	0	0	111.7	M407 Q411 K412 T413	M407-I409 VanDerWaalsContact C-N 3.25Å; M407-I409 PolarHBondContact O-N 2.85Å; M407-I409 VanDerWaalsContact O-N 3.16Å; I409-Q411 VanDerWaalsContact C-N 3.31Å; I409-Q411 PolarHBondContact O-N 3.34Å; I409-K412 WeakPolarHBondContact O-CB 3.47Å; I409-K412 PolarHBondContact O-N 3.3Å; I409-T413 PolarHBondContact O-N 2.78Å; I409-T413 PolarHBondContact O-OG1 3.33Å; I409-T413 VanDerWaalsContact O-OG1 3.13Å
410	S	85.6	Confident	79.5	Confident	55 Å²	55	81 Å²	81	39%	0.385	43%	0.425	S	S	.	.	H	α-helix	trans	-66.4	-38.3	-179.7	68.3	0	0	0	0	111.2	M407 T413 K414	M407-S410 WeakPolarHBondContact CB-OG 3.47Å; M407-S410 PolarHBondContact O-N 3.15Å; M407-S410 PolarHBondContact O-OG 2.79Å; S410-T413 PolarHBondContact O-N 3.25Å; S410-K414 PolarHBondContact O-N 2.85Å
411	Q	86.4	Confident	80.9	Confident	46 Å²	46	79.5 Å²	79.5	22%	0.215	43%	0.428	C	S	.	.	H	α-helix	trans	-65.5	-44.4	175.1	-65.5	-67.9	108.3	0	0	111.1	A394 D396 M407 P408 I409 T413 K414 I415	A394-Q411 WeakPolarHBondContact O-CG 3.31Å; D396-Q411 HydrophobicContact CB-CG 4.03Å; M407-Q411 PolarHBondContact O-N 3.45Å; P408-Q411 PolarHBondContact O-N 2.95Å; I409-Q411 VanDerWaalsContact C-N 3.31Å; I409-Q411 PolarHBondContact O-N 3.34Å; Q411-T413 PolarHBondContact O-N 3.19Å; Q411-K414 PolarHBondContact O-N 3.21Å; Q411-I415 WeakPolarHBondContact O-CD1 3.04Å; Q411-I415 VanDerWaalsContact O-CG1 3.31Å; Q411-I415 WeakPolarHBondContact O-CG1 3.49Å; Q411-I415 PolarHBondContact O-N 3.08Å
412	K	89.8	Confident	82.4	Confident	46 Å²	46	76 Å²	76	20%	0.2	41%	0.413	C	S	.	.	H	α-helix	trans	-53.1	-54.2	171.8	-176.7	-169.4	-172.7	155.5	0	111	L153 D156 Y283 P408 I409 K414 I415 E416	L153-K412 HydrophobicContact CD1-CB 4.16Å; L153-K412 HydrophobicContact CD2-CB 3.94Å; L153-K412 HydrophobicContact CD2-CD 3.58Å; L153-K412 HydrophobicContact CD2-CG 3.93Å; D156-K412 IonicContact OD2-NZ 3.9Å; D156-K412 PolarHBondContact OD2-NZ 2.72Å; Y283-K412 HydrophobicContact CE2-CG 4.33Å; P408-K412 PolarHBondContact O-N 2.91Å; I409-K412 WeakPolarHBondContact O-CB 3.47Å; I409-K412 PolarHBondContact O-N 3.3Å; K412-K414 VanDerWaalsContact C-N 3.32Å; K412-K414 PolarHBondContact O-N 3.47Å; K412-I415 PolarHBondContact O-N 3.36Å; K412-E416 WeakPolarHBondContact CE-OE1 3.42Å; K412-E416 HydrophobicContact CG-CG 4.31Å; K412-E416 WeakPolarHBondContact O-CB 3.38Å; K412-E416 WeakPolarHBondContact O-CG 3.37Å; K412-E416 PolarHBondContact O-N 2.5Å
413	T	91.2	Very high	84.1	Confident	65 Å²	65	67.4 Å²	67.4	40%	0.399	39%	0.387	S	S	.	.	H	α-helix	trans	-59.7	-41.5	-178.5	-57.9	0	0	0	0	111.9	I409 S410 Q411 I415 E416 N417	I409-T413 PolarHBondContact O-N 2.78Å; I409-T413 PolarHBondContact O-OG1 3.33Å; I409-T413 VanDerWaalsContact O-OG1 3.13Å; S410-T413 PolarHBondContact O-N 3.25Å; Q411-T413 PolarHBondContact O-N 3.19Å; T413-I415 PolarHBondContact O-N 2.01Å; T413-E416 PolarHBondContact O-N 3Å; T413-N417 WeakPolarHBondContact O-CB 3.5Å; T413-N417 PolarHBondContact O-N 3.13Å; T413-N417 PolarHBondContact O-ND2 3.24Å
414	K	90.1	Very high	85.7	Confident	94 Å²	94	68 Å²	68	41%	0.409	40%	0.396	S	S	.	.	H	α-helix	trans	-60.8	-45.9	176.4	-176.8	178.8	174.9	-175.5	0	111.8	H316 S410 Q411 K412 I418	H316-K414 PolarHBondContact CE1-NZ 2.77Å; H316-K414 PolarHBondContact NE2-NZ 2.78Å; S410-K414 PolarHBondContact O-N 2.85Å; Q411-K414 PolarHBondContact O-N 3.21Å; K412-K414 VanDerWaalsContact C-N 3.32Å; K412-K414 PolarHBondContact O-N 3.47Å; K414-I418 HydrophobicContact CG-CD1 4.42Å; K414-I418 WeakPolarHBondContact O-CG1 3.4Å; K414-I418 PolarHBondContact O-N 3.48Å
415	I	91.9	Very high	87.6	Confident	9 Å²	9	65.2 Å²	65.2	5%	0.046	36%	0.363	C	S	.	.	H	α-helix	trans	-66.8	-45.6	179.9	-65.6	162.1	0	0	0	110.5	Y283 F392 A394 Q411 K412 T413 N417 I418 L419	Y283-I415 HydrophobicContact CD1-CG2 3.59Å; Y283-I415 HydrophobicContact CD2-CG2 4.49Å; Y283-I415 HydrophobicContact CE1-CG2 3.91Å; Y283-I415 HydrophobicContact CG-CD1 4.35Å; Y283-I415 HydrophobicContact CG-CG2 3.93Å; F392-I415 HydrophobicContact CB-CD1 3.78Å; F392-I415 HydrophobicContact CB-CG1 4.03Å; F392-I415 HydrophobicContact CB-CG2 4.28Å; F392-I415 HydrophobicContact CD1-CG1 4.41Å; F392-I415 HydrophobicContact CD1-CG2 4.35Å; F392-I415 HydrophobicContact CD2-CG2 3.77Å; F392-I415 HydrophobicContact CE2-CG2 4.16Å; F392-I415 HydrophobicContact CG-CD1 4.47Å; F392-I415 HydrophobicContact CG-CG1 4.23Å; F392-I415 HydrophobicContact CG-CG2 3.88Å; A394-I415 HydrophobicContact CB-CD1 4.13Å; Q411-I415 WeakPolarHBondContact O-CD1 3.04Å; Q411-I415 VanDerWaalsContact O-CG1 3.31Å; Q411-I415 WeakPolarHBondContact O-CG1 3.49Å; Q411-I415 PolarHBondContact O-N 3.08Å; K412-I415 PolarHBondContact O-N 3.36Å; T413-I415 PolarHBondContact O-N 2.01Å; I415-N417 VanDerWaalsContact C-N 3.34Å; I415-N417 PolarHBondContact O-N 3.31Å; I415-I418 WeakPolarHBondContact O-CB 3.39Å; I415-I418 PolarHBondContact O-N 3.42Å; I415-L419 HydrophobicContact CG2-CD1 3.88Å; I415-L419 HydrophobicContact CG2-CG 4.46Å; I415-L419 WeakPolarHBondContact O-CG 3.44Å; I415-L419 PolarHBondContact O-N 2.97Å
416	E	93	Very high	89.2	Confident	34 Å²	34	62.4 Å²	62.4	16%	0.159	34%	0.342	C	S	.	.	H	α-helix	trans	-62.3	-39.8	179.1	-73.2	-175.8	163.2	0	0	112	K160 Y283 K412 T413 I418 L419 Q420	K160-E416 IonicContact NZ-OE1 2.77Å; K160-E416 PolarHBondContact NZ-OE1 3.2Å; Y283-E416 WeakPolarHBondContact OH-CG 3.39Å; Y283-E416 PolarHBondContact OH-OE1 2.94Å; K412-E416 WeakPolarHBondContact CE-OE1 3.42Å; K412-E416 HydrophobicContact CG-CG 4.31Å; K412-E416 WeakPolarHBondContact O-CB 3.38Å; K412-E416 WeakPolarHBondContact O-CG 3.37Å; K412-E416 PolarHBondContact O-N 2.5Å; T413-E416 PolarHBondContact O-N 3Å; E416-I418 VanDerWaalsContact C-N 3.35Å; E416-I418 PolarHBondContact O-N 3.16Å; E416-L419 PolarHBondContact O-N 3.32Å; E416-Q420 VanDerWaalsContact O-CB 3.31Å; E416-Q420 WeakPolarHBondContact O-CB 3.34Å; E416-Q420 VanDerWaalsContact O-CG 3.22Å; E416-Q420 WeakPolarHBondContact O-CG 3.38Å; E416-Q420 PolarHBondContact O-N 3Å
417	N	92.9	Very high	90.6	Very high	89 Å²	89	62.7 Å²	62.7	48%	0.476	34%	0.337	S	S	.	.	H	α-helix	trans	-61.9	-40.5	174.9	-72.2	-14.8	0	0	0	112.4	T413 I415 S421	T413-N417 WeakPolarHBondContact O-CB 3.5Å; T413-N417 PolarHBondContact O-N 3.13Å; T413-N417 PolarHBondContact O-ND2 3.24Å; I415-N417 VanDerWaalsContact C-N 3.34Å; I415-N417 PolarHBondContact O-N 3.31Å; N417-S421 VanDerWaalsContact O-CB 3.32Å; N417-S421 WeakPolarHBondContact O-CB 3.22Å; N417-S421 PolarHBondContact O-N 3.48Å; N417-S421 PolarHBondContact O-OG 2.91Å
418	I	91.4	Very high	91.4	Very high	50 Å²	50	58.3 Å²	58.3	26%	0.256	32%	0.316	S	S	.	.	H	α-helix	trans	-63.1	-46.2	175.8	-67.8	164.7	0	0	0	110.2	Y319 K414 I415 E416 S421 S422	Y319-I418 HydrophobicContact CD2-CG2 4.23Å; Y319-I418 HydrophobicContact CE2-CG2 4.14Å; K414-I418 HydrophobicContact CG-CD1 4.42Å; K414-I418 WeakPolarHBondContact O-CG1 3.4Å; K414-I418 PolarHBondContact O-N 3.48Å; I415-I418 WeakPolarHBondContact O-CB 3.39Å; I415-I418 PolarHBondContact O-N 3.42Å; E416-I418 VanDerWaalsContact C-N 3.35Å; E416-I418 PolarHBondContact O-N 3.16Å; I418-S421 PolarHBondContact O-OG 2.89Å; I418-S422 VanDerWaalsContact O-CB 3.23Å; I418-S422 WeakPolarHBondContact O-CB 3.39Å; I418-S422 PolarHBondContact O-N 2.75Å; I418-S422 VanDerWaalsContact O-N 3.15Å; I418-S422 PolarHBondContact O-OG 2.89Å
419	L	93.1	Very high	92.1	Very high	13 Å²	13	66.5 Å²	66.5	7%	0.068	35%	0.35	C	S	.	.	H	α-helix	trans	-69.1	-41.3	-178.1	-69.4	171.6	0	0	0	112.4	Y283 F392 I415 E416 S422 G423	Y283-L419 HydrophobicContact CD1-CD1 4.29Å; Y283-L419 HydrophobicContact CE1-CD1 3.74Å; F392-L419 HydrophobicContact CE2-CD1 4.27Å; F392-L419 HydrophobicContact CE2-CD2 3.94Å; F392-L419 HydrophobicContact CE2-CG 4.28Å; F392-L419 HydrophobicContact CZ-CD2 4Å; F392-L419 HydrophobicContact CZ-CG 4.38Å; I415-L419 HydrophobicContact CG2-CD1 3.88Å; I415-L419 HydrophobicContact CG2-CG 4.46Å; I415-L419 WeakPolarHBondContact O-CG 3.44Å; I415-L419 PolarHBondContact O-N 2.97Å; E416-L419 PolarHBondContact O-N 3.32Å; L419-S422 CarbonylContact O-C 3.58Å; L419-S422 PolarHBondContact O-N 3.45Å; L419-G423 PolarHBondContact O-N 3.13Å
420	Q	93.1	Very high	92.6	Very high	141 Å²	141	66.1 Å²	66.1	66%	0.659	35%	0.349	S	S	*	.	H	α-helix	trans	-64.7	-47.7	177.5	-74	173.9	6.2	0	0	111.4	E416 S422 G423	E416-Q420 VanDerWaalsContact O-CB 3.31Å; E416-Q420 WeakPolarHBondContact O-CB 3.34Å; E416-Q420 VanDerWaalsContact O-CG 3.22Å; E416-Q420 WeakPolarHBondContact O-CG 3.38Å; E416-Q420 PolarHBondContact O-N 3Å; Q420-S422 PolarHBondContact O-N 2.79Å; Q420-G423 PolarHBondContact O-N 2.96Å
421	S	92.8	Very high	93.2	Very high	90 Å²	90	64.1 Å²	64.1	63%	0.629	33%	0.334	S	S	*	.	H	α-helix	trans	-65.2	-19	177	58.9	0	0	0	0	113.6	N417 I418	N417-S421 VanDerWaalsContact O-CB 3.32Å; N417-S421 WeakPolarHBondContact O-CB 3.22Å; N417-S421 PolarHBondContact O-N 3.48Å; N417-S421 PolarHBondContact O-OG 2.91Å; I418-S421 PolarHBondContact O-OG 2.89Å
422	S	92.1	Very high	93.7	Very high	9 Å²	9	66.4 Å²	66.4	6%	0.063	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	7.7	-179.8	-51.8	0	0	0	0	113.7	Y319 I418 L419 Q420 N424 Q425 L426	Y319-S422 WeakPolarHBondContact CB-OG 3.49Å; I418-S422 VanDerWaalsContact O-CB 3.23Å; I418-S422 WeakPolarHBondContact O-CB 3.39Å; I418-S422 PolarHBondContact O-N 2.75Å; I418-S422 VanDerWaalsContact O-N 3.15Å; I418-S422 PolarHBondContact O-OG 2.89Å; L419-S422 CarbonylContact O-C 3.58Å; L419-S422 PolarHBondContact O-N 3.45Å; Q420-S422 PolarHBondContact O-N 2.79Å; S422-N424 VanDerWaalsContact C-N 3.26Å; S422-N424 PolarHBondContact O-N 2.82Å; S422-N424 VanDerWaalsContact O-N 3.14Å; S422-Q425 WeakPolarHBondContact O-CB 3.16Å; S422-Q425 PolarHBondContact O-N 3.16Å; S422-L426 PolarHBondContact O-N 2.76Å
423	G	91.1	Very high	94	Very high	38 Å²	38	65.8 Å²	65.8	39%	0.392	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-57.5	-34.5	-168.7	0	0	0	0	0	114.5	L419 Q420 Q425 L426	L419-G423 PolarHBondContact O-N 3.13Å; Q420-G423 PolarHBondContact O-N 2.96Å; G423-Q425 PolarHBondContact O-N 2.85Å; G423-L426 PolarHBondContact O-N 3.15Å
424	N	93.3	Very high	94.2	Very high	143 Å²	143	65.4 Å²	65.4	77%	0.765	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-71.5	-9	177.5	66.1	-20.7	0	0	0	114.5	S422	S422-N424 VanDerWaalsContact C-N 3.26Å; S422-N424 PolarHBondContact O-N 2.82Å; S422-N424 VanDerWaalsContact O-N 3.14Å
425	Q	94.3	Very high	94.3	Very high	56 Å²	56	65.8 Å²	65.8	26%	0.262	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-107.2	-10	179.8	-64.9	167.1	73.7	0	0	112.6	Y319 S320 A323 S422 G423	Y319-Q425 PolarHBondContact O-OE1 3.24Å; S320-Q425 VanDerWaalsContact N-OE1 3.13Å; A323-Q425 HydrophobicContact CB-CB 3.68Å; A323-Q425 WeakPolarHBondContact CB-O 3.31Å; S422-Q425 WeakPolarHBondContact O-CB 3.16Å; S422-Q425 PolarHBondContact O-N 3.16Å; G423-Q425 PolarHBondContact O-N 2.85Å
426	L	95.4	Very high	94.3	Very high	19 Å²	19	70.6 Å²	70.6	10%	0.099	36%	0.363	C	S	.	.	S	Bend	trans	-67.6	161.7	170.4	-58.9	-175.9	0	0	0	110.3	P286 D287 Y319 S422 G423	P286-L426 HydrophobicContact CB-CD1 4.41Å; P286-L426 HydrophobicContact CG-CD1 4.2Å; D287-L426 HydrophobicContact CB-CB 4.21Å; Y319-L426 HydrophobicContact CD1-CD2 3.93Å; Y319-L426 HydrophobicContact CE1-CD2 3.32Å; S422-L426 PolarHBondContact O-N 2.76Å; G423-L426 PolarHBondContact O-N 3.15Å
427	F	97.4	Very high	93.9	Very high	65 Å²	65	73.1 Å²	73.1	29%	0.285	38%	0.377	S	S	.	.	S	Bend	trans	58	52.1	-179.5	-53.8	-84.7	0	0	0	113.7	R162 P286 D287 H290	R162-F427 HydrophobicContact CB-CE1 3.81Å; R162-F427 HydrophobicContact CB-CZ 3.87Å; R162-F427 HydrophobicContact CG-CE1 4.38Å; P286-F427 HydrophobicContact CB-CZ 4.33Å; P286-F427 WeakPolarHBondContact O-CZ 3.11Å; D287-F427 HydrophobicContact CB-CD1 3.58Å; D287-F427 HydrophobicContact CB-CD2 3.94Å; D287-F427 HydrophobicContact CB-CE1 3.5Å; D287-F427 HydrophobicContact CB-CE2 3.87Å; D287-F427 HydrophobicContact CB-CG 3.8Å; D287-F427 HydrophobicContact CB-CZ 3.66Å; D287-F427 PolarHBondContact OD2-N 3.37Å; H290-F427 HydrophobicContact CB-CD1 3.95Å; H290-F427 HydrophobicContact CB-CE1 4.29Å; H290-F427 AromaticContact CG-CD1 3.96Å
428	P	96.9	Very high	93.2	Very high	13 Å²	13	70.6 Å²	70.6	8%	0.084	37%	0.365	C	S	.	.			trans	-59.4	144.2	178.4	27.5	-35.6	0	0	0	110.7	H290 L291 Q294 N324 L431	H290-P428 PolarHBondContact NE2-O 3.29Å; L291-P428 HydrophobicContact CD1-CG 4.35Å; Q294-P428 PolarHBondContact NE2-O 3.11Å; Q294-P428 PolarHBondContact OE1-O 3.24Å; N324-P428 HydrophobicContact CB-CB 3.55Å; N324-P428 HydrophobicContact CB-CG 4.35Å; P428-L431 HydrophobicContact CB-CD2 4.35Å; P428-L431 HydrophobicContact CG-CD2 3.75Å
429	K	96.6	Very high	92.3	Very high	192 Å²	192	71.4 Å²	71.4	84%	0.835	38%	0.379	S	S	*	.	S	Bend	trans	-72.4	-34.8	179.7	-68	-176.3	179.2	-179.8	0	113.3	Q294	Q294-K429 VanDerWaalsContact OE1-C 3.22Å; Q294-K429 PolarHBondContact OE1-O 3.37Å; Q294-K429 VanDerWaalsContact OE1-O 3.12Å
430	N	96.1	Very high	90.8	Very high	121 Å²	121	78.1 Å²	78.1	65%	0.647	42%	0.416	S	S	*	.	S	Bend	trans	-141.3	152.6	179.9	-62.9	-58.9	0	0	0	109.4
431	L	97.9	Very high	89.2	Confident	13 Å²	13	75.7 Å²	75.7	7%	0.068	43%	0.428	C	S	.	.			trans	-107.8	150.2	173.9	-65.4	-176.5	0	0	0	111.8	L291 Q294 M295 L298 N324 V326 P428	L291-L431 HydrophobicContact CD1-CD1 3.86Å; L291-L431 HydrophobicContact CD1-CD2 3.67Å; L291-L431 HydrophobicContact CD1-CG 4.37Å; L291-L431 HydrophobicContact CG-CD1 4.42Å; Q294-L431 HydrophobicContact CB-CD1 3.53Å; Q294-L431 HydrophobicContact CB-CG 3.82Å; M295-L431 HydrophobicContact CB-CD1 4.44Å; M295-L431 HydrophobicContact CG-CD1 3.54Å; L298-L431 HydrophobicContact CD2-CB 3.79Å; N324-L431 HydrophobicContact CB-CD2 4.46Å; N324-L431 WeakPolarHBondContact O-CA 3.1Å; V326-L431 HydrophobicContact CG1-CD1 4.06Å; P428-L431 HydrophobicContact CB-CD2 4.35Å; P428-L431 HydrophobicContact CG-CD2 3.75Å
432	L	97.2	Very high	87.9	Confident	95 Å²	95	73.4 Å²	73.4	50%	0.497	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	130.7	179.1	-62.6	172.4	0	0	0	110.5	N324 K325 V326 T434	N324-L432 PolarHBondContact O-N 3.05Å; K325-L432 WeakPolarHBondContact CA-O 3.03Å; V326-L432 PolarHBondContact N-O 3.28Å; L432-T434 PolarHBondContact O-N 3.42Å
433	I	96.8	Very high	86.7	Confident	33 Å²	33	75.8 Å²	75.8	17%	0.169	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	115.2	168.6	-55.6	177	0	0	0	108	L298 Q302 V326 V328 M384 R436	L298-I433 HydrophobicContact CD2-CD1 4.32Å; L298-I433 HydrophobicContact CD2-CG1 3.76Å; L298-I433 HydrophobicContact CG-CD1 4.22Å; L298-I433 HydrophobicContact CG-CG1 4.18Å; Q302-I433 HydrophobicContact CB-CD1 3.87Å; V326-I433 HydrophobicContact CG2-CB 4.47Å; V326-I433 HydrophobicContact CG2-CG1 3.86Å; V326-I433 WeakPolarHBondContact O-CA 2.98Å; V328-I433 HydrophobicContact CG2-CD1 4.28Å; V328-I433 HydrophobicContact CG2-CG2 3.99Å; M384-I433 HydrophobicContact CE-CD1 4.06Å; I433-R436 VanDerWaalsContact CD1-NH2 3.32Å; I433-R436 HydrophobicContact CG2-CG 4.05Å
434	T	94.5	Very high	86	Confident	56 Å²	56	75.3 Å²	75.3	34%	0.344	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-28.3	-176.5	54.9	0	0	0	0	113.8	K325 V326 E387 L432	K325-T434 HydrophobicContact CB-CG2 3.87Å; K325-T434 HydrophobicContact CD-CG2 3.51Å; K325-T434 HydrophobicContact CG-CG2 3.58Å; V326-T434 PolarHBondContact O-N 3.49Å; V326-T434 PolarHBondContact O-OG1 2.88Å; E387-T434 WeakPolarHBondContact OE1-CB 3.41Å; E387-T434 PolarHBondContact OE1-OG1 3.46Å; L432-T434 PolarHBondContact O-N 3.42Å
435	K	92.1	Very high	85.4	Confident	102 Å²	102	70.4 Å²	70.4	44%	0.443	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	147.4	177.8	-56.3	-167.8	-165.8	118.5	0	111	E327 V328	E327-K435 HydrophobicContact CB-CB 4.43Å; E327-K435 HydrophobicContact CG-CB 4.03Å; E327-K435 HydrophobicContact CG-CG 4.36Å; E327-K435 WeakPolarHBondContact OE1-CD 3.42Å; E327-K435 WeakPolarHBondContact OE1-CE 3.38Å; E327-K435 IonicContact OE1-NZ 3.88Å; E327-K435 PolarHBondContact OE1-NZ 3.21Å; V328-K435 PolarHBondContact N-O 2.85Å
436	R	92.7	Very high	84.7	Confident	110 Å²	110	71.1 Å²	71.1	42%	0.415	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	115.6	168.4	-61.2	-173.7	-177.8	-106.9	2.6	108.2	Q302 V328 I433	Q302-R436 PolarHBondContact O-NH1 3.43Å; Q302-R436 PolarHBondContact O-NH2 2.95Å; V328-R436 HydrophobicContact CB-CG 4.19Å; V328-R436 CarbonylContact O-C 3.6Å; V328-R436 WeakPolarHBondContact O-CA 3.38Å; I433-R436 VanDerWaalsContact CD1-NH2 3.32Å; I433-R436 HydrophobicContact CG2-CG 4.05Å
437	L	83.4	Confident	83.6	Confident	87 Å²	87	74.5 Å²	74.5	46%	0.455	45%	0.449	S	S	.	.	S	Bend	trans	-131.4	144.3	-178	-63.9	173.2	0	0	0	109.3	V328 K329 A330	V328-L437 PolarHBondContact O-N 3.4Å; K329-L437 CarbonylContact C-O 3.48Å; K329-L437 WeakPolarHBondContact CA-O 3.29Å; K329-L437 HydrophobicContact CG-CB 4.25Å; A330-L437 PolarHBondContact N-O 3.01Å
438	P	79.2	Confident	83	Confident	36 Å²	36	73.7 Å²	73.7	23%	0.234	45%	0.447	C	S	.	.	S	Bend	cis	-65.9	167.1	-15.2	36.8	-40.3	0	0	0	110.4	A442 G443	P438-A442 HydrophobicContact CB-CB 3.67Å; P438-A442 HydrophobicContact CG-CB 4.2Å; P438-A442 WeakPolarHBondContact CG-O 3.3Å; P438-G443 WeakPolarHBondContact CG-O 3.18Å
439	A	73.1	Confident	82.5	Confident	67 Å²	67	78.4 Å²	78.4	55%	0.554	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-58.6	158.2	176.1	0	0	0	0	0	111.1	G441 A442	A439-G441 PolarHBondContact O-N 3.28Å; A439-A442 WeakPolarHBondContact O-CB 3.37Å; A439-A442 PolarHBondContact O-N 3.42Å
440	N	61.2	Low	82.3	Confident	155 Å²	155	73.2 Å²	73.2	83%	0.829	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	125.5	180	-71.5	-10.4	0	0	0	111.1
441	G	58.9	Low	82.4	Confident	89 Å²	89	70.6 Å²	70.6	92%	0.918	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	89	-7.5	-179.4	0	0	0	0	0	115.6	A439	A439-G441 PolarHBondContact O-N 3.28Å
442	A	65.3	Low	82.4	Confident	43 Å²	43	70 Å²	70	36%	0.355	44%	0.435	S	S	.	.			trans	-81.9	139.3	170.4	0	0	0	0	0	111	Y380 P438 A439	Y380-A442 PolarHBondContact OH-O 3.44Å; P438-A442 HydrophobicContact CB-CB 3.67Å; P438-A442 HydrophobicContact CG-CB 4.2Å; P438-A442 WeakPolarHBondContact CG-O 3.3Å; A439-A442 WeakPolarHBondContact O-CB 3.37Å; A439-A442 PolarHBondContact O-N 3.42Å
443	G	67.1	Low	82.4	Confident	58 Å²	58	66.1 Å²	66.1	60%	0.598	42%	0.419	S	S	*	.			trans	-66.9	167.7	-175	0	0	0	0	0	113.8	P438	P438-G443 WeakPolarHBondContact CG-O 3.18Å
444	G	76.4	Confident	82.5	Confident	29 Å²	29	64.6 Å²	64.6	30%	0.299	41%	0.41	S	S	.	.			trans	-63.4	-176.1	175.2	0	0	0	0	0	113.6	A446	G444-A446 PolarHBondContact O-N 3.47Å
445	V	81.1	Confident	82.7	Confident	39 Å²	39	62.6 Å²	62.6	24%	0.236	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-67	135.6	175	-172.2	0	0	0	0	109.1	A330 K332 Q370 V374	A330-V445 HydrophobicContact CB-CG2 3.84Å; K332-V445 HydrophobicContact CB-CG2 4.24Å; K332-V445 HydrophobicContact CD-CG1 4.44Å; K332-V445 HydrophobicContact CG-CG1 4.42Å; Q370-V445 VanDerWaalsContact NE2-CG1 3.27Å; V374-V445 VanDerWaalsContact CG1-O 3.23Å; V374-V445 WeakPolarHBondContact CG1-O 3.41Å
446	A	78.4	Confident	83	Confident	71 Å²	71	57.9 Å²	57.9	59%	0.587	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-55.5	152.9	177.4	0	0	0	0	0	111.9	Q370 G444	Q370-A446 PolarHBondContact NE2-O 3.5Å; G444-A446 PolarHBondContact O-N 3.47Å
447	P	73.8	Confident	83.3	Confident	90 Å²	90	55.7 Å²	55.7	58%	0.584	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-56.5	140.4	175.6	-18.2	27.9	0	0	0	111.3	V374	V374-P447 HydrophobicContact CG2-CB 4.25Å; V374-P447 HydrophobicContact CG2-CG 4.07Å
448	H	83.2	Confident	84	Confident	49 Å²	49	54 Å²	54	23%	0.227	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-76.6	151.1	172.1	-178.8	50.8	0	0	0	111.1	Y360 D362 W367 K450 N451	Y360-H448 PolarHBondContact OH-O 2.94Å; D362-H448 IonicContact OD2-CD2 3.84Å; W367-H448 HydrophobicContact CD2-CB 4.41Å; W367-H448 AromaticContact CD2-CD2 3.32Å; W367-H448 AromaticContact CD2-CG 3.77Å; W367-H448 AromaticContact CD2-NE2 3.62Å; W367-H448 AromaticContact CE2-CD2 3.94Å; W367-H448 AromaticContact CE2-NE2 3.73Å; W367-H448 HydrophobicContact CE3-CB 3.4Å; W367-H448 VanDerWaalsContact CE3-CB 3.4Å; W367-H448 AromaticContact CE3-CD2 3.17Å; W367-H448 AromaticContact CE3-CG 3.11Å; W367-H448 AromaticContact CE3-ND1 3.72Å; W367-H448 AromaticContact CE3-NE2 3.77Å; W367-H448 AromaticContact CG-CD2 3.79Å; W367-H448 AromaticContact CH2-CE1 3.61Å; W367-H448 AromaticContact CH2-CG 3.84Å; W367-H448 AromaticContact CH2-ND1 3.5Å; W367-H448 WeakPolarHBondContact CH2-ND1 3.35Å; W367-H448 AromaticContact CZ2-CE1 3.82Å; W367-H448 AromaticContact CZ2-NE2 3.92Å; W367-H448 HydrophobicContact CZ3-CB 3.51Å; W367-H448 AromaticContact CZ3-CD2 3.63Å; W367-H448 AromaticContact CZ3-CE1 3.76Å; W367-H448 AromaticContact CZ3-CG 3.15Å; W367-H448 AromaticContact CZ3-ND1 3.27Å; W367-H448 VanDerWaalsContact CZ3-ND1 3.27Å; W367-H448 WeakPolarHBondContact CZ3-ND1 3.28Å; W367-H448 AromaticContact CZ3-NE2 3.96Å; H448-K450 PolarHBondContact O-N 2.92Å; H448-N451 PolarHBondContact NE2-ND2 3.31Å; H448-N451 VanDerWaalsContact NE2-ND2 3.11Å; H448-N451 PolarHBondContact NE2-OD1 2.93Å
449	V	87.3	Confident	85	Confident	111 Å²	111	52.3 Å²	52.3	67%	0.673	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-73.4	120.3	168.4	179.2	0	0	0	0	107.8	N451	V449-N451 PolarHBondContact O-N 3.47Å
450	K	93.4	Very high	86.2	Confident	83 Å²	83	50.2 Å²	50.2	36%	0.361	33%	0.332	S	S	.	.			trans	-41.2	134.6	178.1	-65.2	178.1	179	-174.3	0	112.8	S238 F239 Y360 D361 H448	S238-K450 PolarHBondContact OG-NZ 2.8Å; F239-K450 VanDerWaalsContact CE2-O 3.28Å; F239-K450 WeakPolarHBondContact CE2-O 3.5Å; F239-K450 WeakPolarHBondContact CZ-O 3.31Å; Y360-K450 HydrophobicContact CE2-CD 4.45Å; Y360-K450 HydrophobicContact CE2-CG 3.85Å; D361-K450 HydrophobicContact CB-CD 4.23Å; D361-K450 WeakPolarHBondContact O-CB 3.37Å; H448-K450 PolarHBondContact O-N 2.92Å
451	N	96.7	Very high	88	Confident	66 Å²	66	47.7 Å²	47.7	35%	0.353	32%	0.315	S	S	.	.			trans	-84.7	-11.3	170.2	-61.8	-70.8	0	0	0	113.3	D362 Y363 N364 W367 H448 V449	D362-N451 PolarHBondContact OD1-ND2 3.08Å; D362-N451 WeakPolarHBondContact OD2-CB 3.3Å; D362-N451 PolarHBondContact OD2-N 2.93Å; D362-N451 PolarHBondContact OD2-ND2 3.3Å; Y363-N451 HydrophobicContact CE1-CB 4.22Å; N364-N451 PolarHBondContact ND2-ND2 3.01Å; W367-N451 VanDerWaalsContact CD1-ND2 3.34Å; H448-N451 PolarHBondContact NE2-ND2 3.31Å; H448-N451 VanDerWaalsContact NE2-ND2 3.11Å; H448-N451 PolarHBondContact NE2-OD1 2.93Å; V449-N451 PolarHBondContact O-N 3.47Å
452	G	97.7	Very high	89.9	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	79.9	-152.4	-177.9	0	0	0	0	0	112.8	D361 D362 Y363 W454	D361-G452 PolarHBondContact O-N 3.37Å; D361-G452 VanDerWaalsContact OD1-C 3.3Å; D361-G452 WeakPolarHBondContact OD1-CA 3.05Å; D362-G452 WeakPolarHBondContact CA-O 3.24Å; Y363-G452 WeakPolarHBondContact CD1-O 3.18Å; Y363-G452 PolarHBondContact N-O 3.28Å; G452-W454 PolarHBondContact O-N 3.07Å
453	G	97.9	Very high	91.5	Very high	15 Å²	15	42.3 Å²	42.3	16%	0.155	26%	0.259	C	S	.	.			trans	68.2	7.5	175.7	0	0	0	0	0	115.7	D237	D237-G453 PolarHBondContact OD2-N 2.91Å
454	W	98.8	Very high	93	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.238	C	C	.	.			trans	-139.7	41.3	-177.3	-161.6	-92.5	0	0	0	111	S248 K251 H252 C358 Y360 D361 G452 D459 H460 C463	S248-W454 VanDerWaalsContact O-CZ3 3.32Å; S248-W454 WeakPolarHBondContact O-CZ3 3.48Å; K251-W454 HydrophobicContact CB-CE3 4.45Å; K251-W454 HydrophobicContact CB-CH2 3.94Å; K251-W454 HydrophobicContact CB-CZ3 3.83Å; K251-W454 HydrophobicContact CD-CD2 3.79Å; K251-W454 HydrophobicContact CD-CE3 3.89Å; K251-W454 HydrophobicContact CD-CG 4.41Å; K251-W454 HydrophobicContact CD-CH2 3.93Å; K251-W454 HydrophobicContact CD-CZ2 3.89Å; K251-W454 HydrophobicContact CD-CZ3 3.93Å; K251-W454 HydrophobicContact CG-CH2 3.8Å; K251-W454 HydrophobicContact CG-CZ2 4.06Å; K251-W454 HydrophobicContact CG-CZ3 4.05Å; H252-W454 AromaticContact CD2-CH2 3.52Å; H252-W454 AromaticContact CD2-CZ3 3.98Å; H252-W454 AromaticContact CE1-CH2 3.46Å; H252-W454 VanDerWaalsContact CE1-CH2 3.46Å; H252-W454 WeakPolarHBondContact CE1-CH2 3.42Å; H252-W454 AromaticContact CE1-CZ2 3.79Å; H252-W454 AromaticContact CG-CH2 3.67Å; H252-W454 AromaticContact ND1-CH2 3.64Å; H252-W454 AromaticContact NE2-CH2 3.37Å; H252-W454 WeakPolarHBondContact NE2-CH2 3.46Å; H252-W454 AromaticContact NE2-CZ3 3.99Å; C358-W454 PolarHBondContact O-NE1 2.94Å; Y360-W454 VanDerWaalsContact O-CD1 3.23Å; D361-W454 WeakPolarHBondContact OD1-CA 3.38Å; D361-W454 PolarHBondContact OD1-N 3.29Å; G452-W454 PolarHBondContact O-N 3.07Å; W454-D459 HydrophobicContact CD2-CB 4.3Å; W454-D459 HydrophobicContact CE3-CB 4.41Å; W454-D459 HydrophobicContact CH2-CB 4.15Å; W454-D459 HydrophobicContact CZ2-CB 3.97Å; W454-D459 HydrophobicContact CZ3-CB 4.35Å; W454-H460 AromaticContact CD1-CD2 3.61Å; W454-H460 AromaticContact CD1-NE2 3.72Å; W454-H460 AromaticContact NE1-CD2 3.57Å; W454-H460 PolarHBondContact O-NE2 3.31Å; W454-C463 HydrophobicContact CZ2-CB 4.09Å
455	G	98.5	Very high	94	Very high	14 Å²	14	41 Å²	41	14%	0.144	23%	0.232	C	C	.	.			trans	-88.7	-17.2	176.9	0	0	0	0	0	114.7	Y235 D361 I457	Y235-G455 CarbonylContact O-C 3.58Å; D361-G455 PolarHBondContact OD1-N 3.1Å; G455-I457 PolarHBondContact O-N 2.81Å
456	D	98.8	Very high	94.8	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.016	22%	0.222	C	C	.	.			trans	-74.5	121.2	-174.7	-164	-50.7	0	0	0	111.4	N232 R243 R458 D459 H460	N232-D456 WeakPolarHBondContact CB-OD2 3.43Å; N232-D456 PolarHBondContact ND2-OD2 3.48Å; R243-D456 HydrophobicContact CB-CB 4Å; R243-D456 HydrophobicContact CG-CB 4.41Å; D456-R458 PolarHBondContact O-N 3.08Å; D456-R458 VanDerWaalsContact O-N 3.12Å; D456-R458 VanDerWaalsContact OD1-CB 3.31Å; D456-R458 WeakPolarHBondContact OD1-CB 3.05Å; D456-R458 WeakPolarHBondContact OD1-CG 3.42Å; D456-R458 IonicContact OD1-CZ 2.72Å; D456-R458 PolarHBondContact OD1-N 3.44Å; D456-R458 IonicContact OD1-NE 3.43Å; D456-R458 PolarHBondContact OD1-NE 2.94Å; D456-R458 IonicContact OD1-NH2 2.76Å; D456-R458 IonicContact OD2-CZ 3.46Å; D456-R458 IonicContact OD2-NE 3.71Å; D456-R458 PolarHBondContact OD2-NE 2.92Å; D456-R458 IonicContact OD2-NH2 3.64Å; D456-R458 PolarHBondContact OD2-NH2 2.93Å; D456-D459 PolarHBondContact O-N 3.32Å; D456-D459 VanDerWaalsContact O-N 3.07Å; D456-H460 PolarHBondContact O-CD2 3.33Å; D456-H460 VanDerWaalsContact O-CD2 3.32Å; D456-H460 PolarHBondContact O-N 3.21Å
457	I	98.7	Very high	95.6	Very high	65 Å²	65	38 Å²	38	33%	0.333	21%	0.206	S	C	.	.	H	α-helix	trans	-61.4	-23.9	-177.4	56.4	159.9	0	0	0	113.2	Y235 G455 H460 E461	Y235-I457 HydrophobicContact CD1-CB 4.36Å; Y235-I457 HydrophobicContact CD1-CD1 4.49Å; Y235-I457 HydrophobicContact CD1-CG1 4.19Å; Y235-I457 HydrophobicContact CD1-CG2 3.34Å; Y235-I457 HydrophobicContact CD2-CD1 4.08Å; Y235-I457 HydrophobicContact CD2-CG1 3.88Å; Y235-I457 HydrophobicContact CE1-CB 4.48Å; Y235-I457 HydrophobicContact CE1-CD1 4.03Å; Y235-I457 HydrophobicContact CE1-CG1 4.22Å; Y235-I457 HydrophobicContact CE1-CG2 3.5Å; Y235-I457 VanDerWaalsContact CE1-CG2 3.5Å; Y235-I457 HydrophobicContact CE2-CD1 3.59Å; Y235-I457 HydrophobicContact CE2-CG1 3.94Å; Y235-I457 HydrophobicContact CG-CG1 4.02Å; Y235-I457 HydrophobicContact CG-CG2 3.92Å; G455-I457 PolarHBondContact O-N 2.81Å; I457-H460 WeakPolarHBondContact O-CB 3.32Å; I457-H460 PolarHBondContact O-N 3.18Å; I457-E461 WeakPolarHBondContact O-CG 3.47Å; I457-E461 PolarHBondContact O-N 3.48Å
458	R	98.8	Very high	96.4	Very high	50 Å²	50	42.4 Å²	42.4	19%	0.189	21%	0.211	C	C	.	.	H	α-helix	trans	-69	-38.4	178	-59.3	172	-66.5	168.2	-1.1	110.6	F208 D215 N232 D456 H460 E461 L462	F208-R458 HydrophobicContact CD1-CB 4.29Å; F208-R458 HydrophobicContact CD2-CB 3.64Å; F208-R458 HydrophobicContact CE1-CB 4.04Å; F208-R458 HydrophobicContact CE2-CB 3.35Å; F208-R458 HydrophobicContact CG-CB 4.12Å; F208-R458 HydrophobicContact CZ-CB 3.6Å; F208-R458 WeakPolarHBondContact CZ-O 3.35Å; D215-R458 IonicContact OD1-CZ 3.8Å; D215-R458 IonicContact OD1-NH1 3.76Å; D215-R458 PolarHBondContact OD1-NH1 2.83Å; D215-R458 IonicContact OD1-NH2 3.02Å; D215-R458 PolarHBondContact OD1-NH2 3.37Å; D215-R458 IonicContact OD2-NH2 2.98Å; N232-R458 PolarHBondContact ND2-NH2 3.08Å; D456-R458 PolarHBondContact O-N 3.08Å; D456-R458 VanDerWaalsContact O-N 3.12Å; D456-R458 VanDerWaalsContact OD1-CB 3.31Å; D456-R458 WeakPolarHBondContact OD1-CB 3.05Å; D456-R458 WeakPolarHBondContact OD1-CG 3.42Å; D456-R458 IonicContact OD1-CZ 2.72Å; D456-R458 PolarHBondContact OD1-N 3.44Å; D456-R458 IonicContact OD1-NE 3.43Å; D456-R458 PolarHBondContact OD1-NE 2.94Å; D456-R458 IonicContact OD1-NH2 2.76Å; D456-R458 IonicContact OD2-CZ 3.46Å; D456-R458 IonicContact OD2-NE 3.71Å; D456-R458 PolarHBondContact OD2-NE 2.92Å; D456-R458 IonicContact OD2-NH2 3.64Å; D456-R458 PolarHBondContact OD2-NH2 2.93Å; R458-H460 VanDerWaalsContact C-N 3.31Å; R458-E461 PolarHBondContact O-N 2.97Å; R458-L462 WeakPolarHBondContact O-CB 3.46Å; R458-L462 PolarHBondContact O-N 3.06Å
459	D	98.9	Very high	96.3	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-64.9	-37.7	172	-69.6	-51	0	0	0	111	F208 R243 H252 W454 D456 C463	F208-D459 WeakPolarHBondContact CE2-OD1 3.49Å; R243-D459 WeakPolarHBondContact CD-OD2 3.26Å; R243-D459 WeakPolarHBondContact CG-OD2 3.31Å; R243-D459 IonicContact CZ-OD1 2.7Å; R243-D459 IonicContact CZ-OD2 3.56Å; R243-D459 IonicContact NE-OD1 2.75Å; R243-D459 PolarHBondContact NE-OD1 3.19Å; R243-D459 IonicContact NE-OD2 3.45Å; R243-D459 PolarHBondContact NE-OD2 2.79Å; R243-D459 IonicContact NH2-OD1 3.59Å; R243-D459 PolarHBondContact NH2-OD1 3.45Å; H252-D459 IonicContact CD2-OD1 2.79Å; H252-D459 PolarHBondContact CE1-O 3.34Å; H252-D459 IonicContact CE1-OD1 3.71Å; H252-D459 IonicContact NE2-OD1 3.71Å; H252-D459 PolarHBondContact NE2-OD1 3.44Å; W454-D459 HydrophobicContact CD2-CB 4.3Å; W454-D459 HydrophobicContact CE3-CB 4.41Å; W454-D459 HydrophobicContact CH2-CB 4.15Å; W454-D459 HydrophobicContact CZ2-CB 3.97Å; W454-D459 HydrophobicContact CZ3-CB 4.35Å; D456-D459 PolarHBondContact O-N 3.32Å; D456-D459 VanDerWaalsContact O-N 3.07Å; D459-C463 WeakPolarHBondContact O-CB 3.3Å; D459-C463 PolarHBondContact O-N 2.92Å
460	H	98.8	Very high	95.1	Very high	23 Å²	23	48.2 Å²	48.2	11%	0.106	23%	0.233	C	C	.	.	H	α-helix	trans	-61.4	-50.5	177	-57.8	176.2	0	0	0	111.1	C358 T359 W454 D456 I457 R458 C463 K464	C358-H460 WeakPolarHBondContact O-CA 3.3Å; C358-H460 PolarHBondContact O-CD2 3.31Å; T359-H460 HydrophobicContact CG2-CB 4.15Å; W454-H460 AromaticContact CD1-CD2 3.61Å; W454-H460 AromaticContact CD1-NE2 3.72Å; W454-H460 AromaticContact NE1-CD2 3.57Å; W454-H460 PolarHBondContact O-NE2 3.31Å; D456-H460 PolarHBondContact O-CD2 3.33Å; D456-H460 VanDerWaalsContact O-CD2 3.32Å; D456-H460 PolarHBondContact O-N 3.21Å; I457-H460 WeakPolarHBondContact O-CB 3.32Å; I457-H460 PolarHBondContact O-N 3.18Å; R458-H460 VanDerWaalsContact C-N 3.31Å; H460-C463 PolarHBondContact O-N 2.98Å; H460-K464 VanDerWaalsContact O-CG 3.3Å; H460-K464 WeakPolarHBondContact O-CG 3.39Å; H460-K464 PolarHBondContact O-N 2.94Å
461	E	98.8	Very high	95.2	Very high	103 Å²	103	46.5 Å²	46.5	48%	0.481	23%	0.227	S	C	.	.	H	α-helix	trans	-70.4	-39.5	-176.3	-66.5	-51.3	121.4	0	0	112.6	I457 R458 C463 K464 S465	I457-E461 WeakPolarHBondContact O-CG 3.47Å; I457-E461 PolarHBondContact O-N 3.48Å; R458-E461 PolarHBondContact O-N 2.97Å; E461-C463 VanDerWaalsContact C-N 3.34Å; E461-C463 PolarHBondContact O-N 3.37Å; E461-K464 PolarHBondContact O-N 3.24Å; E461-K464 IonicContact OE1-NZ 3.5Å; E461-K464 PolarHBondContact OE1-NZ 3.32Å; E461-S465 WeakPolarHBondContact O-CB 3.42Å; E461-S465 PolarHBondContact O-N 3.05Å
462	L	98.8	Very high	95.1	Very high	19 Å²	19	45.4 Å²	45.4	10%	0.099	22%	0.22	C	C	.	.	H	α-helix	trans	-61.1	-45.3	173	-179.8	63.3	0	0	0	110.9	F199 F208 P209 R458 K464 S465 Y466	F199-L462 HydrophobicContact CB-CD1 4.48Å; F199-L462 HydrophobicContact CB-CD2 4.16Å; F199-L462 HydrophobicContact CD1-CD1 4.11Å; F199-L462 HydrophobicContact CD2-CD1 4.18Å; F199-L462 HydrophobicContact CE1-CD1 4.37Å; F199-L462 HydrophobicContact CE2-CD1 4.43Å; F199-L462 HydrophobicContact CG-CD1 4.01Å; F208-L462 HydrophobicContact CE1-CB 3.79Å; F208-L462 HydrophobicContact CE1-CD2 3.69Å; F208-L462 HydrophobicContact CE1-CG 4.24Å; F208-L462 HydrophobicContact CZ-CB 3.81Å; F208-L462 HydrophobicContact CZ-CD2 3.78Å; F208-L462 HydrophobicContact CZ-CG 4.42Å; P209-L462 HydrophobicContact CB-CD2 3.73Å; P209-L462 HydrophobicContact CG-CD2 3.87Å; R458-L462 WeakPolarHBondContact O-CB 3.46Å; R458-L462 PolarHBondContact O-N 3.06Å; L462-K464 PolarHBondContact O-N 3Å; L462-S465 WeakPolarHBondContact O-CB 3.48Å; L462-S465 PolarHBondContact O-N 3.21Å; L462-S465 VanDerWaalsContact O-N 3.12Å; L462-S465 PolarHBondContact O-OG 3.39Å; L462-Y466 HydrophobicContact CD1-CE1 3.88Å; L462-Y466 HydrophobicContact CG-CE1 3.87Å; L462-Y466 WeakPolarHBondContact CG-OH 3.39Å; L462-Y466 WeakPolarHBondContact O-CD1 3.35Å; L462-Y466 VanDerWaalsContact O-CE1 3.3Å; L462-Y466 WeakPolarHBondContact O-CE1 3.33Å
463	C	98.9	Very high	95	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-59.8	-44.3	177.8	176.7	0	0	0	0	112.4	C358 W454 D459 H460 E461 S465 Y466	C358-C463 WeakPolarHBondContact CA-SG 3.45Å; C358-C463 HydrophobicContact CB-CB 3.55Å; C358-C463 WeakPolarHBondContact CB-SG 3.31Å; C358-C463 WeakPolarHBondContact SG-CB 3.18Å; C358-C463 CovalentContact SG-SG 2.04Å; C358-C463 PolarHBondContact SG-SG 2.9Å; W454-C463 HydrophobicContact CZ2-CB 4.09Å; D459-C463 WeakPolarHBondContact O-CB 3.3Å; D459-C463 PolarHBondContact O-N 2.92Å; H460-C463 PolarHBondContact O-N 2.98Å; E461-C463 VanDerWaalsContact C-N 3.34Å; E461-C463 PolarHBondContact O-N 3.37Å; C463-S465 VanDerWaalsContact C-N 3.26Å; C463-S465 PolarHBondContact O-N 3.23Å; C463-Y466 HydrophobicContact CB-CE2 4.38Å; C463-Y466 VanDerWaalsContact O-CD2 3.25Å; C463-Y466 WeakPolarHBondContact O-CD2 3.37Å; C463-Y466 PolarHBondContact O-N 2.94Å
464	K	98.8	Very high	94.8	Very high	33 Å²	33	49.9 Å²	49.9	14%	0.143	24%	0.237	C	C	.	.	H	α-helix	trans	-65.8	-29.6	176.6	-69.5	172.4	-168.6	166.8	0	112.7	T354 D355 C358 T359 H460 E461 L462 Y466 V467	T354-K464 HydrophobicContact CG2-CB 4.46Å; T354-K464 HydrophobicContact CG2-CG 4.35Å; D355-K464 WeakPolarHBondContact OD1-CD 3.46Å; C358-K464 HydrophobicContact CB-CG 3.75Å; C358-K464 PolarHBondContact SG-N 2.91Å; C358-K464 VanDerWaalsContact SG-N 3.42Å; T359-K464 VanDerWaalsContact CG2-CE 3.46Å; H460-K464 VanDerWaalsContact O-CG 3.3Å; H460-K464 WeakPolarHBondContact O-CG 3.39Å; H460-K464 PolarHBondContact O-N 2.94Å; E461-K464 PolarHBondContact O-N 3.24Å; E461-K464 IonicContact OE1-NZ 3.5Å; E461-K464 PolarHBondContact OE1-NZ 3.32Å; L462-K464 PolarHBondContact O-N 3Å; K464-Y466 PolarHBondContact O-N 2.86Å; K464-V467 WeakPolarHBondContact O-CG2 3.33Å
465	S	98.4	Very high	94.6	Very high	26 Å²	26	53 Å²	53	18%	0.182	25%	0.252	C	S	.	.	H	α-helix	trans	-66.8	-25.4	-176.6	78.6	0	0	0	0	113.1	E461 L462 C463 V467 R468 L469	E461-S465 WeakPolarHBondContact O-CB 3.42Å; E461-S465 PolarHBondContact O-N 3.05Å; L462-S465 WeakPolarHBondContact O-CB 3.48Å; L462-S465 PolarHBondContact O-N 3.21Å; L462-S465 VanDerWaalsContact O-N 3.12Å; L462-S465 PolarHBondContact O-OG 3.39Å; C463-S465 VanDerWaalsContact C-N 3.26Å; C463-S465 PolarHBondContact O-N 3.23Å; S465-V467 PolarHBondContact O-N 3.41Å; S465-V467 VanDerWaalsContact O-N 3.12Å; S465-R468 WeakPolarHBondContact O-CA 3.35Å; S465-R468 PolarHBondContact O-N 3.38Å; S465-L469 WeakPolarHBondContact O-CG 3.38Å; S465-L469 PolarHBondContact O-N 2.97Å; S465-L469 WeakPolarHBondContact OG-CD1 3.24Å
466	Y	98	Very high	94.3	Very high	4 Å²	4	55.6 Å²	55.6	2%	0.016	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-32.9	-173.3	-58.5	-31.2	0	0	0	113.8	F197 F199 H252 W255 W256 H259 L462 C463 K464 R468	F197-Y466 HydrophobicContact CE2-CE1 4.18Å; F197-Y466 AromaticContact CE2-CZ 3.9Å; F197-Y466 WeakPolarHBondContact CZ-OH 3.34Å; F199-Y466 HydrophobicContact CD2-CD1 4.25Å; F199-Y466 AromaticContact CD2-CE1 3.57Å; F199-Y466 HydrophobicContact CD2-CE1 3.57Å; F199-Y466 HydrophobicContact CE2-CD1 4.11Å; F199-Y466 AromaticContact CE2-CE1 3.86Å; F199-Y466 HydrophobicContact CE2-CE1 3.86Å; H252-Y466 HydrophobicContact CB-CE2 4.46Å; H252-Y466 WeakPolarHBondContact CB-OH 3.33Å; H252-Y466 VanDerWaalsContact CG-OH 3.24Å; H252-Y466 AromaticContact ND1-CE2 3.8Å; H252-Y466 AromaticContact ND1-CZ 3.64Å; H252-Y466 PolarHBondContact ND1-OH 3.41Å; H252-Y466 WeakPolarHBondContact O-CE2 3.47Å; W255-Y466 HydrophobicContact CB-CD2 4.35Å; W255-Y466 AromaticContact CD1-CD2 3.99Å; W256-Y466 HydrophobicContact CB-CD1 4.35Å; W256-Y466 HydrophobicContact CB-CD2 3.76Å; W256-Y466 HydrophobicContact CB-CE1 4.44Å; W256-Y466 HydrophobicContact CB-CE2 3.88Å; W256-Y466 HydrophobicContact CB-CG 4.02Å; H259-Y466 PolarHBondContact CD2-O 3.16Å; H259-Y466 PolarHBondContact NE2-O 3.18Å; L462-Y466 HydrophobicContact CD1-CE1 3.88Å; L462-Y466 HydrophobicContact CG-CE1 3.87Å; L462-Y466 WeakPolarHBondContact CG-OH 3.39Å; L462-Y466 WeakPolarHBondContact O-CD1 3.35Å; L462-Y466 VanDerWaalsContact O-CE1 3.3Å; L462-Y466 WeakPolarHBondContact O-CE1 3.33Å; C463-Y466 HydrophobicContact CB-CE2 4.38Å; C463-Y466 VanDerWaalsContact O-CD2 3.25Å; C463-Y466 WeakPolarHBondContact O-CD2 3.37Å; C463-Y466 PolarHBondContact O-N 2.94Å; K464-Y466 PolarHBondContact O-N 2.86Å; Y466-R468 PolarHBondContact O-N 2.94Å
467	V	94.9	Very high	94	Very high	44 Å²	44	59.4 Å²	59.4	27%	0.267	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-8.1	178.8	-56.2	0	0	0	0	113.6	I351 T354 K464 S465	I351-V467 HydrophobicContact CD1-CG1 3.51Å; I351-V467 HydrophobicContact CG1-CG1 3.6Å; T354-V467 HydrophobicContact CG2-CG1 4.45Å; K464-V467 WeakPolarHBondContact O-CG2 3.33Å; S465-V467 PolarHBondContact O-N 3.41Å; S465-V467 VanDerWaalsContact O-N 3.12Å
468	R	90.6	Very high	93.6	Very high	182 Å²	182	58.9 Å²	58.9	69%	0.687	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.2	-34.4	-176.3	-56.1	-178.1	-176.6	168.2	2.8	112.2	S465 Y466	S465-R468 WeakPolarHBondContact O-CA 3.35Å; S465-R468 PolarHBondContact O-N 3.38Å; Y466-R468 PolarHBondContact O-N 2.94Å
469	L	81.7	Confident	93.2	Very high	80 Å²	80	59.7 Å²	59.7	42%	0.419	28%	0.279	S	S	.	.			trans	-70.5	144.2	179	-65.3	177.6	0	0	0	110.7	F199 R264 S465	F199-L469 HydrophobicContact CE2-CD1 4.25Å; F199-L469 HydrophobicContact CZ-CD1 3.8Å; R264-L469 PolarHBondContact NH2-O 3.3Å; S465-L469 WeakPolarHBondContact O-CG 3.38Å; S465-L469 PolarHBondContact O-N 2.97Å; S465-L469 WeakPolarHBondContact OG-CD1 3.24Å
470	Q	61.8	Low	92.7	Very high	201 Å²	201	65 Å²	65	94%	0.939	30%	0.304	S	S	*	.			trans	-89.7	0	-178.9	-65	-65.6	-39.6	0	0	111.2	R264	R264-Q470 VanDerWaalsContact NH1-CD 3.3Å

Retrieved 470 of 470 residues in 1007.5 ms (Link to these results)

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