A0A060YAT9_ONCMY Loading...

Arylsulfatase family, member Ib

AlphaFold DB , UniProt , Accession A0A060YAT9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 573 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.3	Very low	32.1	Very low	228 Å²	228	134.8 Å²	134.8	100%	1.123	80%	0.803	S	S	*	*				0	131	0	-73.2	166.5	164.3	0	0	107.3
2	H	34.9	Very low	31.9	Very low	177 Å²	177	136.1 Å²	136.1	82%	0.819	80%	0.802	S	S	*	*			trans	59.3	140.6	173.4	-50	-62.5	0	0	0	116.1
3	A	33.9	Very low	31.8	Very low	93 Å²	93	135.3 Å²	135.3	77%	0.769	79%	0.791	S	S	*	*			cis	70.5	141.6	40.7	0	0	0	0	0	112.6
4	A	31.4	Very low	31.7	Very low	83 Å²	83	134.1 Å²	134.1	69%	0.686	79%	0.793	S	S	*	*			cis	-153.5	140.8	12.4	0	0	0	0	0	109.8
5	T	33.2	Very low	31.5	Very low	135 Å²	135	136.3 Å²	136.3	83%	0.828	79%	0.789	S	S	*	*				61.2	106.7	87.4	68.3	0	0	0	0	120
6	S	32.6	Very low	31.4	Very low	110 Å²	110	132.7 Å²	132.7	77%	0.769	79%	0.79	S	S	*	*			trans	178.6	122.8	142.8	53.1	0	0	0	0	109.3
7	L	31.9	Very low	31.4	Very low	168 Å²	168	137 Å²	137	88%	0.88	79%	0.791	S	S	*	*				57.7	136.5	74.7	-83.7	79.4	0	0	0	114.3
8	S	31.3	Very low	31.4	Very low	100 Å²	100	138.1 Å²	138.1	70%	0.699	79%	0.793	S	S	*	*			cis	-138.9	-168.5	1.7	-150.7	0	0	0	0	109
9	M	28.5	Very low	31.4	Very low	169 Å²	169	136.3 Å²	136.3	83%	0.833	79%	0.789	S	S	*	*			cis	-144.3	161.3	25.3	-93.1	-166.3	179	0	0	109.9
10	V	31.7	Very low	31.2	Very low	119 Å²	119	137 Å²	137	72%	0.721	79%	0.787	S	S	*	*				56.1	105	69.5	-171.8	0	0	0	0	111.5
11	S	30.1	Very low	31.3	Very low	101 Å²	101	137.6 Å²	137.6	71%	0.706	78%	0.783	S	S	*	*			cis	-155.5	173	42.5	-95.4	0	0	0	0	110.9
12	L	29.9	Very low	30.9	Very low	150 Å²	150	137.5 Å²	137.5	79%	0.785	77%	0.77	S	S	*	*			cis	-157.7	-156.1	2.2	-121.6	166.6	0	0	0	111.4
13	L	30.1	Very low	31	Very low	126 Å²	126	136.6 Å²	136.6	66%	0.66	77%	0.769	S	S	*	*			trans	-53.3	150.3	178.2	-66.3	163.1	0	0	0	116.1	F15	L13-F15 HydrophobicContact CD2-CD2 4.19Å; L13-F15 HydrophobicContact CD2-CE2 3.93Å
14	S	31.5	Very low	30.8	Very low	118 Å²	118	141.2 Å²	141.2	83%	0.825	77%	0.772	S	S	*	*				-153.8	170.6	55.4	-60.1	0	0	0	0	115.4
15	F	28.7	Very low	30.8	Very low	168 Å²	168	143 Å²	143	74%	0.737	78%	0.776	S	S	*	*			trans	-84.3	148.6	-162.5	-84.2	-126.9	0	0	0	116.6	L13 Y17	L13-F15 HydrophobicContact CD2-CD2 4.19Å; L13-F15 HydrophobicContact CD2-CE2 3.93Å; F15-Y17 AromaticContact CD1-CD2 3.93Å; F15-Y17 HydrophobicContact CD1-CD2 3.93Å; F15-Y17 AromaticContact CD1-CE2 3.72Å; F15-Y17 HydrophobicContact CD1-CE2 3.72Å; F15-Y17 HydrophobicContact CE1-CD2 4.38Å; F15-Y17 AromaticContact CE1-CE2 3.71Å; F15-Y17 HydrophobicContact CE1-CE2 3.71Å
16	G	29.7	Very low	31.1	Very low	78 Å²	78	144 Å²	144	80%	0.804	78%	0.777	S	S	*	*			trans	-168.9	120.6	159.5	0	0	0	0	0	109.5
17	Y	31.4	Very low	30.9	Very low	206 Å²	206	147 Å²	147	81%	0.808	78%	0.776	S	S	*	*			trans	-99.3	150.1	-156.6	-116.6	-110.3	0	0	0	116.8	F15	F15-Y17 AromaticContact CD1-CD2 3.93Å; F15-Y17 HydrophobicContact CD1-CD2 3.93Å; F15-Y17 AromaticContact CD1-CE2 3.72Å; F15-Y17 HydrophobicContact CD1-CE2 3.72Å; F15-Y17 HydrophobicContact CE1-CD2 4.38Å; F15-Y17 AromaticContact CE1-CE2 3.71Å; F15-Y17 HydrophobicContact CE1-CE2 3.71Å
18	L	31.1	Very low	31.1	Very low	157 Å²	157	145.3 Å²	145.3	82%	0.822	77%	0.772	S	S	*	*			trans	-73.7	168.8	165	-81.5	157	0	0	0	111
19	S	31	Very low	31	Very low	103 Å²	103	146.3 Å²	146.3	72%	0.72	77%	0.766	S	S	*	*			cis	-164.4	-171.4	-0.3	46	0	0	0	0	110.5
20	M	28.9	Very low	31.3	Very low	150 Å²	150	147 Å²	147	74%	0.739	77%	0.767	S	S	*	*			trans	-51	167.4	149.7	-62.9	150.8	53.5	0	0	111.5
21	E	31.6	Very low	31.2	Very low	150 Å²	150	149.6 Å²	149.6	70%	0.701	77%	0.771	S	S	*	*			cis	-160.8	-151.7	23.4	-150.7	170.9	-137.2	0	0	111.7
22	W	26.5	Very low	31.4	Very low	227 Å²	227	150.1 Å²	150.1	86%	0.86	77%	0.77	S	S	*	*			trans	98.7	129.1	165.1	-63.8	81.9	0	0	0	119.2
23	I	36.3	Very low	31.7	Very low	157 Å²	157	151.2 Å²	151.2	81%	0.805	77%	0.771	S	S	*	*			trans	-128.2	135.5	-177.6	-65.4	170.5	0	0	0	109.5
24	K	28.8	Very low	32.3	Very low	191 Å²	191	152.7 Å²	152.7	83%	0.83	78%	0.78	S	S	*	*			trans	172.5	156.8	153.5	-101.1	162.2	-171.3	179.6	0	110.2
25	P	33	Very low	32.4	Very low	119 Å²	119	151.7 Å²	151.7	77%	0.773	77%	0.765	S	S	*	*			cis	-122.6	-173.1	-49.2	36	-19.5	0	0	0	110.7	K27	P25-K27 PolarHBondContact O-N 3.2Å
26	N	37.7	Very low	33	Very low	158 Å²	158	149.9 Å²	149.9	85%	0.845	77%	0.771	S	S	*	*			trans	-53.1	133.4	-177	-68.4	-4.8	0	0	0	114.6
27	K	29	Very low	33.4	Very low	173 Å²	173	150.2 Å²	150.2	75%	0.752	76%	0.761	S	S	*	*			trans	-109.1	145.5	140.1	-90.4	-172.4	164.9	-167	0	109	P25 E29	P25-K27 PolarHBondContact O-N 3.2Å; K27-E29 WeakPolarHBondContact CD-OE1 3.43Å; K27-E29 IonicContact NZ-OE1 2.63Å; K27-E29 PolarHBondContact NZ-OE1 3.14Å
28	V	36.4	Very low	33.5	Very low	131 Å²	131	145.6 Å²	145.6	79%	0.794	75%	0.749	S	S	*	*			trans	-100.3	120.9	164	176.7	0	0	0	0	106.6
29	E	30.1	Very low	33.4	Very low	122 Å²	122	144 Å²	144	57%	0.57	75%	0.746	S	S	*	*			trans	-122.1	119	172.7	-73.4	178.6	174.2	0	0	108.2	K27 H31	K27-E29 WeakPolarHBondContact CD-OE1 3.43Å; K27-E29 IonicContact NZ-OE1 2.63Å; K27-E29 PolarHBondContact NZ-OE1 3.14Å; E29-H31 PolarHBondContact O-N 3.11Å
30	E	35	Very low	33.6	Very low	183 Å²	183	147.8 Å²	147.8	86%	0.855	75%	0.749	S	S	*	*			trans	-77.6	84.5	-176.9	-70.1	-174.7	111.3	0	0	111	T32	E30-T32 PolarHBondContact O-N 2.79Å
31	H	29.1	Very low	34	Very low	174 Å²	174	148.1 Å²	148.1	81%	0.806	75%	0.749	S	S	*	*			trans	-74.1	89.4	170.9	-87.9	-67.2	0	0	0	111.9	E29	E29-H31 PolarHBondContact O-N 3.11Å
32	T	34.4	Very low	34.7	Very low	112 Å²	112	145.9 Å²	145.9	69%	0.687	75%	0.748	S	S	*	*			trans	-77.5	161.3	157.1	53.7	0	0	0	0	110.9	E30	E30-T32 PolarHBondContact O-N 2.79Å
33	Q	36.3	Very low	36.7	Very low	173 Å²	173	144.4 Å²	144.4	81%	0.808	75%	0.747	S	S	*	*	S	Bend	trans	78.1	98	174.1	-51	-167.8	5.9	0	0	118.3
34	N	42.5	Very low	39	Very low	157 Å²	157	141.8 Å²	141.8	84%	0.84	73%	0.732	S	S	*	*				41.4	86.7	124	-57	-5.2	0	0	0	118.9	P36	N34-P36 WeakPolarHBondContact O-CD 3.41Å
35	D	32.9	Very low	42.1	Very low	97 Å²	97	134.9 Å²	134.9	52%	0.519	71%	0.706	S	S	.	*			trans	-82.8	116.8	150.6	178.8	-0.8	0	0	0	109.5	S37	D35-S37 VanDerWaalsContact C-N 3.26Å; D35-S37 VanDerWaalsContact CG-OG 3.27Å; D35-S37 PolarHBondContact O-N 3.29Å; D35-S37 WeakPolarHBondContact OD1-CA 3.14Å; D35-S37 VanDerWaalsContact OD1-CB 3.27Å; D35-S37 WeakPolarHBondContact OD1-CB 3.16Å; D35-S37 PolarHBondContact OD1-N 3.01Å; D35-S37 PolarHBondContact OD1-OG 3.04Å; D35-S37 PolarHBondContact OD2-OG 2.88Å
36	P	42.2	Very low	45.2	Very low	130 Å²	130	129.7 Å²	129.7	84%	0.844	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-1.6	178.5	34	-35.8	0	0	0	113.9	N34	N34-P36 WeakPolarHBondContact O-CD 3.41Å
37	S	37	Very low	48.1	Very low	85 Å²	85	122.5 Å²	122.5	59%	0.594	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	-3.1	-175.8	76.1	0	0	0	0	115.1	D35 T39	D35-S37 VanDerWaalsContact C-N 3.26Å; D35-S37 VanDerWaalsContact CG-OG 3.27Å; D35-S37 PolarHBondContact O-N 3.29Å; D35-S37 WeakPolarHBondContact OD1-CA 3.14Å; D35-S37 VanDerWaalsContact OD1-CB 3.27Å; D35-S37 WeakPolarHBondContact OD1-CB 3.16Å; D35-S37 PolarHBondContact OD1-N 3.01Å; D35-S37 PolarHBondContact OD1-OG 3.04Å; D35-S37 PolarHBondContact OD2-OG 2.88Å; S37-T39 PolarHBondContact O-N 2.69Å
38	I	33.9	Very low	51.4	Low	109 Å²	109	114.2 Å²	114.2	56%	0.559	60%	0.598	S	S	*	*			trans	-72.1	81.8	168.3	-53.1	-178.4	0	0	0	109.2	F40	I38-F40 HydrophobicContact CG2-CD2 4.15Å; I38-F40 HydrophobicContact CG2-CE2 4.08Å; I38-F40 PolarHBondContact O-N 2.73Å
39	T	28.8	Very low	54.4	Low	124 Å²	124	108 Å²	108	76%	0.761	56%	0.561	S	S	*	*			trans	-61.4	103.1	162.7	47	0	0	0	0	108.5	S37 E41	S37-T39 PolarHBondContact O-N 2.69Å; T39-E41 VanDerWaalsContact C-N 3.28Å; T39-E41 PolarHBondContact O-N 3.42Å
40	F	35	Very low	57.7	Low	181 Å²	181	102.3 Å²	102.3	79%	0.794	53%	0.534	S	S	*	.			trans	-64	92.4	167.2	-85.3	-96.7	0	0	0	108.9	I38 P42	I38-F40 HydrophobicContact CG2-CD2 4.15Å; I38-F40 HydrophobicContact CG2-CE2 4.08Å; I38-F40 PolarHBondContact O-N 2.73Å; F40-P42 WeakPolarHBondContact O-CD 3.28Å
41	E	37.5	Very low	60.7	Low	157 Å²	157	93.6 Å²	93.6	73%	0.734	49%	0.493	S	S	*	.			trans	-38.5	110.9	160.4	-95.4	-71.6	159.5	0	0	108.6	T39 K43	T39-E41 VanDerWaalsContact C-N 3.28Å; T39-E41 PolarHBondContact O-N 3.42Å; E41-K43 PolarHBondContact O-N 2.71Å
42	P	45.8	Very low	64.1	Low	104 Å²	104	85.3 Å²	85.3	68%	0.675	46%	0.455	S	S	*	.			trans	-68.5	103	-170.6	25.6	-32.7	0	0	0	108.2	F40 Q44	F40-P42 WeakPolarHBondContact O-CD 3.28Å; P42-Q44 PolarHBondContact O-N 3.36Å
43	K	68.3	Low	67.1	Low	195 Å²	195	80 Å²	80	85%	0.848	42%	0.422	S	S	*	.			trans	-45.9	105.3	-171.5	-74.1	-178.1	177.5	174.2	0	110.9	E41	E41-K43 PolarHBondContact O-N 2.71Å
44	Q	84.8	Confident	70.1	Confident	102 Å²	102	71.7 Å²	71.7	48%	0.477	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-53.7	129.4	-175.9	-69.9	-166	-18.3	0	0	110.1	P42 S225 N289	P42-Q44 PolarHBondContact O-N 3.36Å; Q44-S225 PolarHBondContact NE2-O 2.82Å; Q44-N289 PolarHBondContact O-ND2 2.97Å
45	P	94.6	Very high	72.7	Confident	46 Å²	46	64.4 Å²	64.4	30%	0.299	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-52.3	139	177.9	-28.1	35.2	0	0	0	111.4	Y139 P228	P45-Y139 HydrophobicContact CB-CE2 3.81Å; P45-Y139 WeakPolarHBondContact CB-OH 3.42Å; P45-P228 HydrophobicContact CB-CB 4.26Å; P45-P228 HydrophobicContact CB-CG 4.32Å; P45-P228 WeakPolarHBondContact O-CB 3.3Å
46	P	97.8	Very high	75.8	Confident	11 Å²	11	59.8 Å²	59.8	7%	0.071	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-71.1	146.7	-171.8	29.8	-35.4	0	0	0	111.4	I48 Y139 N289 V291 L333 L357	P46-I48 PolarHBondContact O-N 3.33Å; P46-Y139 VanDerWaalsContact O-CE1 3.24Å; P46-Y139 WeakPolarHBondContact O-CE1 3.45Å; P46-Y139 PolarHBondContact O-OH 2.79Å; P46-N289 CarbonylContact C-O 3.54Å; P46-N289 VanDerWaalsContact CA-O 3.27Å; P46-N289 WeakPolarHBondContact CA-O 3.45Å; P46-N289 WeakPolarHBondContact CB-O 3.46Å; P46-V291 HydrophobicContact CB-CG2 4.09Å; P46-V291 HydrophobicContact CG-CG2 4.24Å; P46-L333 HydrophobicContact CB-CD1 3.6Å; P46-L333 HydrophobicContact CG-CD1 4.42Å; P46-L357 WeakPolarHBondContact CD-O 3.11Å; P46-L357 HydrophobicContact CG-CB 4.36Å; P46-L357 HydrophobicContact CG-CD2 4.3Å
47	H	98.8	Very high	78.5	Confident	6 Å²	6	53.6 Å²	53.6	3%	0.028	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	134.7	166.1	-46	-77.3	0	0	0	109.1	P224 L229 Y286 N289 S290 V291	H47-P224 PolarHBondContact CE1-O 3.21Å; H47-L229 CarbonylContact C-O 3.58Å; H47-L229 VanDerWaalsContact CA-O 3.29Å; H47-L229 WeakPolarHBondContact CA-O 3.45Å; H47-L229 PolarHBondContact ND1-N 2.79Å; H47-Y286 HydrophobicContact CB-CD1 4.35Å; H47-Y286 AromaticContact CD2-CD1 3.77Å; H47-Y286 AromaticContact CE1-CD1 3.8Å; H47-Y286 AromaticContact CG-CD1 3.7Å; H47-Y286 AromaticContact ND1-CD1 3.7Å; H47-Y286 AromaticContact NE2-CD1 3.82Å; H47-N289 PolarHBondContact CD2-O 3.08Å; H47-N289 PolarHBondContact N-O 3.13Å; H47-S290 CarbonylContact O-C 3.59Å; H47-S290 WeakPolarHBondContact O-CA 3.23Å; H47-V291 PolarHBondContact O-N 2.71Å
48	I	98.9	Very high	81.4	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	115.4	-176.3	-64.8	167.7	0	0	0	108.1	P46 L134 Y139 L229 F230 M231 I293 L354	P46-I48 PolarHBondContact O-N 3.33Å; I48-L134 HydrophobicContact CD1-CD2 4.16Å; I48-Y139 HydrophobicContact CD1-CE1 3.77Å; I48-Y139 HydrophobicContact CG1-CE1 4.05Å; I48-L229 PolarHBondContact N-O 3.27Å; I48-F230 HydrophobicContact CB-CD2 3.9Å; I48-F230 HydrophobicContact CG2-CD2 3.57Å; I48-F230 HydrophobicContact CG2-CE2 3.85Å; I48-F230 CarbonylContact O-C 3.53Å; I48-F230 WeakPolarHBondContact O-CA 3.48Å; I48-M231 PolarHBondContact O-N 2.88Å; I48-I293 HydrophobicContact CG2-CD1 4.13Å; I48-L354 HydrophobicContact CD1-CB 4.19Å; I48-L354 HydrophobicContact CD1-CD2 4.21Å; I48-L354 HydrophobicContact CG1-CD2 4.41Å; I48-L354 HydrophobicContact CG2-CD1 4.24Å; I48-L354 HydrophobicContact CG2-CD2 3.73Å; I48-L354 HydrophobicContact CG2-CG 4.47Å
49	I	98.9	Very high	84.5	Confident	1 Å²	1	46 Å²	46	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	94.1	-178.8	-49.2	-61.4	0	0	0	107.9	I51 L229 M231 V277 L281 V291 L292 I293	I49-I51 HydrophobicContact CG2-CD1 4.33Å; I49-I51 HydrophobicContact CG2-CG1 4.31Å; I49-L229 HydrophobicContact CD1-CD2 4.05Å; I49-M231 HydrophobicContact CD1-CB 3.69Å; I49-V277 HydrophobicContact CG2-CG1 4.28Å; I49-L281 HydrophobicContact CD1-CD2 3.86Å; I49-L281 HydrophobicContact CG1-CD1 3.96Å; I49-L281 HydrophobicContact CG1-CD2 3.98Å; I49-L281 HydrophobicContact CG2-CD1 4.45Å; I49-V291 PolarHBondContact N-O 3.28Å; I49-L292 HydrophobicContact CB-CB 4.49Å; I49-L292 WeakPolarHBondContact O-CA 3.35Å; I49-I293 PolarHBondContact O-N 3.04Å
50	F	98.9	Very high	87.8	Confident	1 Å²	1	40 Å²	40	0%	0.004	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	115.2	179.3	-160.4	-68.7	0	0	0	109.9	L52 L99 F230 M231 F232 L233 I293 W350 L354	F50-L52 HydrophobicContact CD1-CB 4.29Å; F50-L52 HydrophobicContact CE1-CB 4.11Å; F50-L52 HydrophobicContact CE1-CD1 4.12Å; F50-L99 HydrophobicContact CD1-CD2 4.29Å; F50-L99 HydrophobicContact CD2-CD1 4.46Å; F50-L99 HydrophobicContact CE1-CD1 4.35Å; F50-L99 HydrophobicContact CE1-CD2 3.82Å; F50-L99 HydrophobicContact CE2-CD1 3.81Å; F50-L99 HydrophobicContact CZ-CD1 3.75Å; F50-L99 HydrophobicContact CZ-CD2 4.03Å; F50-F230 HydrophobicContact CB-CE2 4.07Å; F50-M231 PolarHBondContact N-O 3.46Å; F50-F232 HydrophobicContact CB-CD2 4.29Å; F50-F232 HydrophobicContact CD1-CD2 4.03Å; F50-F232 HydrophobicContact CD1-CE2 4Å; F50-F232 HydrophobicContact CG-CD2 4.46Å; F50-L233 PolarHBondContact O-N 2.82Å; F50-I293 HydrophobicContact CD2-CB 3.83Å; F50-I293 HydrophobicContact CD2-CD1 4.23Å; F50-I293 HydrophobicContact CD2-CG1 4.26Å; F50-I293 HydrophobicContact CD2-CG2 3.97Å; F50-I293 HydrophobicContact CE2-CB 4.05Å; F50-I293 HydrophobicContact CE2-CG2 3.64Å; F50-I293 HydrophobicContact CG-CB 4.36Å; F50-I293 HydrophobicContact CZ-CG2 4.08Å; F50-W350 HydrophobicContact CE2-CB 4.2Å; F50-W350 AromaticContact CE2-CD1 3.72Å; F50-W350 AromaticContact CE2-CD2 3.84Å; F50-W350 HydrophobicContact CE2-CD2 3.84Å; F50-W350 HydrophobicContact CE2-CE3 4.49Å; F50-W350 AromaticContact CE2-CG 3.66Å; F50-W350 HydrophobicContact CE2-CG 3.66Å; F50-W350 AromaticContact CE2-NE1 3.93Å; F50-W350 AromaticContact CZ-CD1 3.84Å; F50-W350 HydrophobicContact CZ-CG 4.26Å; F50-W350 AromaticContact CZ-NE1 3.93Å; F50-L354 HydrophobicContact CD2-CD1 4.03Å
51	I	98.9	Very high	90.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	116	178.6	-60.6	156.5	0	0	0	107.8	I49 L233 V274 L292 I293 F294 S295	I49-I51 HydrophobicContact CG2-CD1 4.33Å; I49-I51 HydrophobicContact CG2-CG1 4.31Å; I51-L233 WeakPolarHBondContact CA-O 3.32Å; I51-L233 HydrophobicContact CG1-CB 4.31Å; I51-L233 HydrophobicContact CG1-CD2 4.39Å; I51-V274 HydrophobicContact CD1-CG1 4.11Å; I51-V274 HydrophobicContact CD1-CG2 4.01Å; I51-V274 HydrophobicContact CG2-CG2 4.14Å; I51-L292 HydrophobicContact CD1-CD1 3.88Å; I51-L292 HydrophobicContact CD1-CD2 4.07Å; I51-L292 HydrophobicContact CD1-CG 3.92Å; I51-I293 PolarHBondContact N-O 3.11Å; I51-F294 HydrophobicContact CB-CD2 4.12Å; I51-F294 HydrophobicContact CG2-CD2 3.73Å; I51-F294 HydrophobicContact CG2-CE2 3.97Å; I51-F294 WeakPolarHBondContact O-CA 3.27Å; I51-S295 PolarHBondContact O-N 3.19Å
52	L	98.9	Very high	93.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	123	178.1	-173	71.6	0	0	0	109.2	F50 R96 L99 F232 L233 S234 L235 S295 T296 D297	F50-L52 HydrophobicContact CD1-CB 4.29Å; F50-L52 HydrophobicContact CE1-CB 4.11Å; F50-L52 HydrophobicContact CE1-CD1 4.12Å; L52-R96 HydrophobicContact CD2-CG 3.94Å; L52-L99 HydrophobicContact CD2-CD2 4.25Å; L52-F232 HydrophobicContact CB-CE2 3.84Å; L52-F232 HydrophobicContact CB-CZ 4.46Å; L52-F232 HydrophobicContact CD2-CE2 3.98Å; L52-F232 HydrophobicContact CD2-CZ 3.83Å; L52-L233 PolarHBondContact N-O 3.3Å; L52-S234 CarbonylContact O-C 3.53Å; L52-L235 PolarHBondContact O-N 3.5Å; L52-S295 CarbonylContact C-O 3.43Å; L52-S295 VanDerWaalsContact CA-O 3.29Å; L52-S295 WeakPolarHBondContact CA-O 3.33Å; L52-T296 WeakPolarHBondContact CD1-O 3.28Å; L52-D297 HydrophobicContact CD1-CB 3.86Å; L52-D297 HydrophobicContact CD2-CB 4.02Å; L52-D297 HydrophobicContact CG-CB 4.01Å
53	T	98.8	Very high	96.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	161.9	170.2	53.1	0	0	0	0	111.4	Q56 L235 A237 V270 F294 S295 T296 D297	T53-Q56 WeakPolarHBondContact OG1-CB 3.42Å; T53-Q56 PolarHBondContact OG1-OE1 3.45Å; T53-L235 HydrophobicContact CG2-CD1 4.37Å; T53-A237 WeakPolarHBondContact CB-O 3.38Å; T53-V270 HydrophobicContact CG2-CG1 3.66Å; T53-V270 HydrophobicContact CG2-CG2 4.18Å; T53-F294 HydrophobicContact CG2-CE2 3.92Å; T53-F294 HydrophobicContact CG2-CZ 3.8Å; T53-S295 PolarHBondContact N-O 3.05Å; T53-S295 PolarHBondContact OG1-O 2.88Å; T53-T296 CarbonylContact O-C 3.56Å; T53-T296 WeakPolarHBondContact OG1-CA 3.15Å; T53-D297 PolarHBondContact O-N 2.85Å
54	D	98.3	Very high	97.6	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.078	C	C	.	.	S	Bend	trans	-117.1	121.5	-171.3	-162.9	25.1	0	0	0	107.6	Q56 C92 R96 K146 L235 Q236 A237 V238 H239 D297	D54-Q56 VanDerWaalsContact C-N 3.29Å; D54-Q56 PolarHBondContact O-N 2.85Å; D54-C92 PolarHBondContact OD1-SG 3.07Å; D54-R96 IonicContact OD1-NH2 2.91Å; D54-R96 PolarHBondContact OD1-NH2 3.49Å; D54-R96 VanDerWaalsContact OD1-NH2 3.11Å; D54-K146 IonicContact OD1-NZ 3.74Å; D54-K146 PolarHBondContact OD1-NZ 3.36Å; D54-K146 WeakPolarHBondContact OD2-CD 3.31Å; D54-K146 WeakPolarHBondContact OD2-CE 3.19Å; D54-K146 IonicContact OD2-NZ 3.72Å; D54-K146 PolarHBondContact OD2-NZ 2.89Å; D54-L235 WeakPolarHBondContact CB-O 3.38Å; D54-Q236 WeakPolarHBondContact CB-O 3.33Å; D54-A237 PolarHBondContact N-O 3.41Å; D54-V238 CarbonylContact O-C 3.37Å; D54-V238 WeakPolarHBondContact O-CG2 3.29Å; D54-V238 PolarHBondContact O-N 3.02Å; D54-H239 HydrophobicContact CB-CB 3.94Å; D54-H239 PolarHBondContact O-N 2.84Å; D54-H239 VanDerWaalsContact O-N 3.13Å; D54-H239 IonicContact OD1-CD2 3.79Å; D54-H239 WeakPolarHBondContact OD2-CB 3.46Å; D54-H239 IonicContact OD2-CD2 3.8Å; D54-H239 IonicContact OD2-CG 2.66Å; D54-D297 WeakPolarHBondContact CA-OD1 3.25Å
55	D	97.9	Very high	98.1	Very high	4 Å²	4	10.8 Å²	10.8	2%	0.021	6%	0.058	C	C	.	.	S	Bend	trans	58.9	24.1	-176	-65.6	12	0	0	0	116.5	G57 H239 Y263 D297 N298 K315	D55-G57 PolarHBondContact O-N 3.47Å; D55-H239 VanDerWaalsContact CG-CD2 3.42Å; D55-H239 IonicContact OD1-CD2 3.6Å; D55-H239 PolarHBondContact OD1-CD2 2.9Å; D55-H239 IonicContact OD2-CD2 2.59Å; D55-H239 PolarHBondContact OD2-CD2 3.39Å; D55-H239 VanDerWaalsContact OD2-CD2 3.31Å; D55-H239 IonicContact OD2-CG 2.69Å; D55-H239 IonicContact OD2-NE2 2.77Å; D55-Y263 PolarHBondContact O-OH 3.33Å; D55-D297 PolarHBondContact N-OD1 2.96Å; D55-N298 PolarHBondContact OD1-ND2 3.37Å; D55-K315 VanDerWaalsContact OD1-CD 3.31Å; D55-K315 WeakPolarHBondContact OD1-CD 3.4Å; D55-K315 VanDerWaalsContact OD1-CE 3.31Å; D55-K315 WeakPolarHBondContact OD1-CE 3.36Å; D55-K315 IonicContact OD1-NZ 2.73Å; D55-K315 PolarHBondContact OD1-NZ 3.17Å; D55-K315 VanDerWaalsContact OD2-CD 3.24Å; D55-K315 WeakPolarHBondContact OD2-CD 3.19Å; D55-K315 IonicContact OD2-NZ 3.17Å; D55-K315 PolarHBondContact OD2-NZ 3.49Å
56	Q	98.4	Very high	98.1	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.08	C	C	.	.			trans	-77.3	117.2	174.3	-166.6	169	-3.5	0	0	111.3	T53 D54 D60 V238 Y263 T296	T53-Q56 WeakPolarHBondContact OG1-CB 3.42Å; T53-Q56 PolarHBondContact OG1-OE1 3.45Å; D54-Q56 VanDerWaalsContact C-N 3.29Å; D54-Q56 PolarHBondContact O-N 2.85Å; Q56-D60 HydrophobicContact CG-CB 4.11Å; Q56-D60 PolarHBondContact NE2-O 3.45Å; Q56-V238 HydrophobicContact CB-CG2 3.97Å; Q56-V238 HydrophobicContact CG-CG2 4.39Å; Q56-Y263 WeakPolarHBondContact CA-OH 3.46Å; Q56-T296 PolarHBondContact N-OG1 3.5Å; Q56-T296 VanDerWaalsContact O-CB 3.31Å; Q56-T296 WeakPolarHBondContact O-CB 3.42Å; Q56-T296 PolarHBondContact O-OG1 3.3Å
57	G	97.9	Very high	97.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.097	C	C	.	.			trans	-80.6	163	-174.3	0	0	0	0	0	115	D55 N59 D60 Y263 S307 N308 V326	D55-G57 PolarHBondContact O-N 3.47Å; G57-N59 PolarHBondContact O-N 2.77Å; G57-N59 VanDerWaalsContact O-N 3.15Å; G57-D60 WeakPolarHBondContact CA-OD2 3.29Å; G57-D60 PolarHBondContact N-OD2 3.11Å; G57-D60 VanDerWaalsContact N-OD2 3.1Å; G57-D60 WeakPolarHBondContact O-CB 3.49Å; G57-D60 PolarHBondContact O-N 3.42Å; G57-D60 VanDerWaalsContact O-N 3.09Å; G57-Y263 PolarHBondContact N-OH 2.88Å; G57-S307 CarbonylContact C-O 3.56Å; G57-S307 WeakPolarHBondContact CA-O 3.49Å; G57-N308 VanDerWaalsContact CA-OD1 3.29Å; G57-N308 WeakPolarHBondContact CA-OD1 3.48Å; G57-V326 WeakPolarHBondContact O-CG2 3.42Å
58	F	98.3	Very high	97.8	Very high	21 Å²	21	17.3 Å²	17.3	9%	0.092	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-29.6	-179	-164.7	-96.5	0	0	0	113.3	H64 S307 N308 L311 R324	F58-H64 AromaticContact CD1-ND1 3.9Å; F58-H64 AromaticContact CE1-CE1 3.53Å; F58-H64 AromaticContact CE1-ND1 3.65Å; F58-H64 AromaticContact CE2-CE1 3.83Å; F58-H64 AromaticContact CZ-CE1 3.33Å; F58-H64 WeakPolarHBondContact CZ-CE1 3.12Å; F58-H64 AromaticContact CZ-ND1 3.88Å; F58-H64 PolarHBondContact O-ND1 2.98Å; F58-S307 PolarHBondContact N-O 2.88Å; F58-N308 HydrophobicContact CB-CB 4.47Å; F58-N308 PolarHBondContact N-OD1 3.24Å; F58-L311 HydrophobicContact CB-CD1 3.64Å; F58-L311 HydrophobicContact CB-CG 4.26Å; F58-L311 HydrophobicContact CD1-CD1 3.82Å; F58-L311 HydrophobicContact CD1-CD2 4.42Å; F58-L311 HydrophobicContact CD1-CG 3.9Å; F58-L311 HydrophobicContact CD2-CD1 3.72Å; F58-L311 HydrophobicContact CE1-CD1 4.44Å; F58-L311 HydrophobicContact CE1-CG 4.46Å; F58-L311 HydrophobicContact CE2-CD1 4.35Å; F58-L311 HydrophobicContact CG-CD1 3.42Å; F58-L311 VanDerWaalsContact CG-CD1 3.42Å; F58-L311 HydrophobicContact CG-CG 4.01Å; F58-R324 HydrophobicContact CD2-CG 4.47Å; F58-R324 HydrophobicContact CE2-CG 4.26Å
59	N	98	Very high	97.7	Very high	12 Å²	12	24.1 Å²	24.1	6%	0.064	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	19.4	-177.6	-160.4	40.3	0	0	0	113.1	G57 N65 R260 S307 W309 P442	G57-N59 PolarHBondContact O-N 2.77Å; G57-N59 VanDerWaalsContact O-N 3.15Å; N59-N65 PolarHBondContact ND2-ND2 2.84Å; N59-N65 WeakPolarHBondContact O-CB 3.34Å; N59-N65 PolarHBondContact O-ND2 2.91Å; N59-N65 VanDerWaalsContact O-ND2 3.16Å; N59-N65 WeakPolarHBondContact OD1-CB 3.15Å; N59-R260 PolarHBondContact O-NH2 2.69Å; N59-S307 VanDerWaalsContact CB-O 3.28Å; N59-S307 WeakPolarHBondContact CB-O 3.22Å; N59-S307 PolarHBondContact N-O 3.15Å; N59-S307 PolarHBondContact ND2-OG 3.36Å; N59-W309 HydrophobicContact CB-CB 4.48Å; N59-W309 VanDerWaalsContact CB-O 3.22Å; N59-W309 WeakPolarHBondContact CB-O 3.31Å; N59-W309 VanDerWaalsContact CG-O 3.25Å; N59-W309 PolarHBondContact OD1-O 3.44Å; N59-P442 WeakPolarHBondContact ND2-CG 3.28Å
60	D	98.1	Very high	97.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.122	C	C	.	.			trans	-118.1	36.2	-169.7	-58.6	-31.2	0	0	0	112.1	Q56 G57 R260 Y263 G306 S307	Q56-D60 HydrophobicContact CG-CB 4.11Å; Q56-D60 PolarHBondContact NE2-O 3.45Å; G57-D60 WeakPolarHBondContact CA-OD2 3.29Å; G57-D60 PolarHBondContact N-OD2 3.11Å; G57-D60 VanDerWaalsContact N-OD2 3.1Å; G57-D60 WeakPolarHBondContact O-CB 3.49Å; G57-D60 PolarHBondContact O-N 3.42Å; G57-D60 VanDerWaalsContact O-N 3.09Å; D60-R260 IonicContact OD1-CZ 3.57Å; D60-R260 IonicContact OD1-NH1 3.72Å; D60-R260 PolarHBondContact OD1-NH1 2.84Å; D60-R260 IonicContact OD1-NH2 2.74Å; D60-R260 PolarHBondContact OD1-NH2 3.08Å; D60-R260 IonicContact OD2-NH1 2.71Å; D60-Y263 HydrophobicContact CB-CE1 3.9Å; D60-Y263 VanDerWaalsContact OD2-CE1 3.32Å; D60-Y263 WeakPolarHBondContact OD2-CE1 3.49Å; D60-Y263 PolarHBondContact OD2-OH 3.22Å; D60-G306 WeakPolarHBondContact OD2-CA 3.18Å; D60-S307 PolarHBondContact OD1-N 3.18Å; D60-S307 PolarHBondContact OD2-N 3.21Å
61	I	98.4	Very high	97.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-145.8	140.8	174.4	-163.7	158.8	0	0	0	108.6	Y63 H64 N65 T70 L73 F294 V326 F328	I61-Y63 VanDerWaalsContact C-N 3.25Å; I61-Y63 HydrophobicContact CD1-CD1 3.98Å; I61-Y63 HydrophobicContact CD1-CE1 3.4Å; I61-Y63 VanDerWaalsContact CD1-CE1 3.4Å; I61-Y63 HydrophobicContact CG1-CD1 3.85Å; I61-Y63 HydrophobicContact CG1-CE1 3.79Å; I61-Y63 HydrophobicContact CG2-CD1 4.18Å; I61-Y63 HydrophobicContact CG2-CD2 4.31Å; I61-Y63 HydrophobicContact CG2-CE1 4.03Å; I61-Y63 HydrophobicContact CG2-CE2 4.15Å; I61-Y63 HydrophobicContact CG2-CG 4.33Å; I61-Y63 PolarHBondContact O-N 3.47Å; I61-H64 HydrophobicContact CG2-CB 4.15Å; I61-H64 PolarHBondContact O-N 3.01Å; I61-N65 PolarHBondContact O-N 2.88Å; I61-T70 WeakPolarHBondContact CG1-OG1 3.48Å; I61-L73 HydrophobicContact CD1-CB 3.97Å; I61-L73 HydrophobicContact CD1-CD1 3.93Å; I61-L73 HydrophobicContact CG1-CB 4.35Å; I61-L73 HydrophobicContact CG1-CD1 4.33Å; I61-F294 HydrophobicContact CD1-CE1 4.31Å; I61-V326 HydrophobicContact CB-CG1 4.38Å; I61-V326 HydrophobicContact CD1-CG1 3.73Å; I61-V326 HydrophobicContact CG2-CG1 4.06Å; I61-V326 HydrophobicContact CG2-CG2 4.45Å; I61-F328 HydrophobicContact CD1-CE1 4.35Å
62	G	98.1	Very high	97.7	Very high	14 Å²	14	29.2 Å²	29.2	14%	0.144	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-35.1	-168.6	0	0	0	0	0	114	H64 N65 I68 T70 D74	G62-H64 PolarHBondContact O-N 3.31Å; G62-N65 WeakPolarHBondContact CA-O 3.41Å; G62-N65 CarbonylContact O-C 3.59Å; G62-N65 PolarHBondContact O-N 3.24Å; G62-I68 WeakPolarHBondContact CA-O 3.44Å; G62-I68 PolarHBondContact N-O 3.44Å; G62-T70 PolarHBondContact N-OG1 3.45Å; G62-D74 WeakPolarHBondContact CA-OD1 3.34Å; G62-D74 WeakPolarHBondContact CA-OD2 3.24Å; G62-D74 PolarHBondContact N-OD1 3.02Å
63	Y	97.8	Very high	97.7	Very high	40 Å²	40	29.2 Å²	29.2	16%	0.157	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-5.9	176.2	75.1	-110.7	0	0	0	115.8	I61 D74 A77 K82 F328	I61-Y63 VanDerWaalsContact C-N 3.25Å; I61-Y63 HydrophobicContact CD1-CD1 3.98Å; I61-Y63 HydrophobicContact CD1-CE1 3.4Å; I61-Y63 VanDerWaalsContact CD1-CE1 3.4Å; I61-Y63 HydrophobicContact CG1-CD1 3.85Å; I61-Y63 HydrophobicContact CG1-CE1 3.79Å; I61-Y63 HydrophobicContact CG2-CD1 4.18Å; I61-Y63 HydrophobicContact CG2-CD2 4.31Å; I61-Y63 HydrophobicContact CG2-CE1 4.03Å; I61-Y63 HydrophobicContact CG2-CE2 4.15Å; I61-Y63 HydrophobicContact CG2-CG 4.33Å; I61-Y63 PolarHBondContact O-N 3.47Å; Y63-D74 WeakPolarHBondContact CD1-OD1 3.47Å; Y63-D74 PolarHBondContact N-OD1 3.28Å; Y63-A77 HydrophobicContact CD1-CB 3.94Å; Y63-A77 HydrophobicContact CE1-CB 3.61Å; Y63-K82 VanDerWaalsContact CB-NZ 3.27Å; Y63-K82 HydrophobicContact CD2-CD 3.86Å; Y63-K82 VanDerWaalsContact CD2-NZ 3.29Å; Y63-K82 HydrophobicContact CE2-CD 3.76Å; Y63-K82 HydrophobicContact CE2-CG 4.26Å; Y63-K82 HydrophobicContact CG-CD 4.35Å; Y63-K82 VanDerWaalsContact CG-NZ 3.29Å; Y63-F328 HydrophobicContact CE1-CD1 4.35Å
64	H	98.2	Very high	97.7	Very high	58 Å²	58	30.9 Å²	30.9	27%	0.269	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110	-31.1	164.2	-71.2	166.4	0	0	0	112.3	F58 I61 G62 E84	F58-H64 AromaticContact CD1-ND1 3.9Å; F58-H64 AromaticContact CE1-CE1 3.53Å; F58-H64 AromaticContact CE1-ND1 3.65Å; F58-H64 AromaticContact CE2-CE1 3.83Å; F58-H64 AromaticContact CZ-CE1 3.33Å; F58-H64 WeakPolarHBondContact CZ-CE1 3.12Å; F58-H64 AromaticContact CZ-ND1 3.88Å; F58-H64 PolarHBondContact O-ND1 2.98Å; I61-H64 HydrophobicContact CG2-CB 4.15Å; I61-H64 PolarHBondContact O-N 3.01Å; G62-H64 PolarHBondContact O-N 3.31Å; H64-E84 IonicContact CE1-OE1 3.8Å; H64-E84 IonicContact CE1-OE2 3.34Å; H64-E84 PolarHBondContact CE1-OE2 3.17Å; H64-E84 IonicContact NE2-OE1 3.49Å; H64-E84 PolarHBondContact NE2-OE1 3.09Å; H64-E84 IonicContact NE2-OE2 3.29Å; H64-E84 PolarHBondContact NE2-OE2 3.28Å
65	N	96.4	Very high	97.7	Very high	13 Å²	13	36.4 Å²	36.4	7%	0.07	19%	0.188	C	C	.	.			trans	-142.6	103.6	-175.8	-172.7	-7.5	0	0	0	111.9	N59 I61 G62 D67 I68	N59-N65 PolarHBondContact ND2-ND2 2.84Å; N59-N65 WeakPolarHBondContact O-CB 3.34Å; N59-N65 PolarHBondContact O-ND2 2.91Å; N59-N65 VanDerWaalsContact O-ND2 3.16Å; N59-N65 WeakPolarHBondContact OD1-CB 3.15Å; I61-N65 PolarHBondContact O-N 2.88Å; G62-N65 WeakPolarHBondContact CA-O 3.41Å; G62-N65 CarbonylContact O-C 3.59Å; G62-N65 PolarHBondContact O-N 3.24Å; N65-D67 PolarHBondContact O-N 3.29Å; N65-D67 VanDerWaalsContact O-N 3.09Å; N65-D67 WeakPolarHBondContact OD1-CB 3.49Å; N65-D67 PolarHBondContact OD1-N 3.49Å; N65-D67 VanDerWaalsContact OD1-N 3.17Å; N65-I68 HydrophobicContact CB-CG1 4.42Å; N65-I68 PolarHBondContact O-N 3.34Å
66	P	94.1	Very high	97.7	Very high	115 Å²	115	36.4 Å²	36.4	75%	0.747	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-13.6	-177	28.3	-35.6	0	0	0	114.1	I68	P66-I68 PolarHBondContact O-N 3.02Å
67	D	93.5	Very high	97.8	Very high	83 Å²	83	36.5 Å²	36.5	44%	0.444	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-15.7	170.9	-72	-21	0	0	0	112.7	N65 Y252 M255	N65-D67 PolarHBondContact O-N 3.29Å; N65-D67 VanDerWaalsContact O-N 3.09Å; N65-D67 WeakPolarHBondContact OD1-CB 3.49Å; N65-D67 PolarHBondContact OD1-N 3.49Å; N65-D67 VanDerWaalsContact OD1-N 3.17Å; D67-Y252 VanDerWaalsContact O-CE1 3.25Å; D67-Y252 WeakPolarHBondContact O-CE1 3.47Å; D67-M255 HydrophobicContact CB-CE 4.19Å
68	I	96.4	Very high	97.8	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	21%	0.209	C	C	.	.	S	Bend	trans	-110.3	112.3	-178.2	-56	-61.5	0	0	0	109.3	G62 N65 P66 T70 M255 A264 V267	G62-I68 WeakPolarHBondContact CA-O 3.44Å; G62-I68 PolarHBondContact N-O 3.44Å; N65-I68 HydrophobicContact CB-CG1 4.42Å; N65-I68 PolarHBondContact O-N 3.34Å; P66-I68 PolarHBondContact O-N 3.02Å; I68-T70 HydrophobicContact CG2-CG2 4.3Å; I68-T70 PolarHBondContact O-N 3.46Å; I68-M255 HydrophobicContact CD1-CE 4.17Å; I68-A264 HydrophobicContact CD1-CB 3.53Å; I68-V267 HydrophobicContact CG2-CB 4.15Å; I68-V267 HydrophobicContact CG2-CG1 3.61Å
69	R	97.1	Very high	97.8	Very high	144 Å²	144	41.2 Å²	41.2	54%	0.543	22%	0.218	S	C	.	.			trans	-87.8	95.9	-167.5	-52.6	176.3	-175.7	-150.4	-3.1	111.1	P71 P251 Y252	R69-P71 WeakPolarHBondContact O-CD 3.47Å; R69-P251 PolarHBondContact NH2-O 2.9Å; R69-Y252 VanDerWaalsContact CB-OH 3.29Å; R69-Y252 WeakPolarHBondContact CB-OH 3.36Å; R69-Y252 HydrophobicContact CG-CE1 4.06Å; R69-Y252 PolarHBondContact N-OH 3Å
70	T	98.6	Very high	97.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.215	C	C	.	.			trans	-123	55.6	176.3	55.9	0	0	0	0	113.2	I61 G62 I68 T72 L73 D74 V267 D271	I61-T70 WeakPolarHBondContact CG1-OG1 3.48Å; G62-T70 PolarHBondContact N-OG1 3.45Å; I68-T70 HydrophobicContact CG2-CG2 4.3Å; I68-T70 PolarHBondContact O-N 3.46Å; T70-T72 PolarHBondContact O-N 2.74Å; T70-L73 HydrophobicContact CG2-CD1 3.93Å; T70-L73 HydrophobicContact CG2-CG 4.49Å; T70-L73 PolarHBondContact O-N 2.88Å; T70-D74 WeakPolarHBondContact O-CB 3.34Å; T70-D74 PolarHBondContact O-N 3.39Å; T70-D74 PolarHBondContact OG1-OD1 3.2Å; T70-D74 VanDerWaalsContact OG1-OD1 3.13Å; T70-D74 PolarHBondContact OG1-OD2 3.21Å; T70-V267 HydrophobicContact CG2-CG1 3.42Å; T70-V267 VanDerWaalsContact CG2-CG1 3.42Å; T70-D271 WeakPolarHBondContact CA-OD1 3.45Å; T70-D271 HydrophobicContact CG2-CB 4.36Å; T70-D271 VanDerWaalsContact O-OD1 3.07Å
71	P	98.7	Very high	97.9	Very high	86 Å²	86	40.7 Å²	40.7	56%	0.558	22%	0.215	S	C	*	.	H	α-helix	trans	-60.7	-24.6	-171.4	27.6	-37	0	0	0	114.1	R69 K75	R69-P71 WeakPolarHBondContact O-CD 3.47Å; P71-K75 VanDerWaalsContact O-CB 3.22Å; P71-K75 WeakPolarHBondContact O-CB 2.95Å; P71-K75 PolarHBondContact O-N 2.57Å
72	T	98.9	Very high	97.9	Very high	22 Å²	22	42.5 Å²	42.5	14%	0.135	22%	0.223	C	C	.	.	H	α-helix	trans	-78.1	-47.4	174.5	-45.4	0	0	0	0	111	T70 D74 K75 L76 D271 R275	T70-T72 PolarHBondContact O-N 2.74Å; T72-D74 VanDerWaalsContact C-N 3.35Å; T72-K75 PolarHBondContact O-N 3.37Å; T72-L76 HydrophobicContact CG2-CD1 4.05Å; T72-L76 VanDerWaalsContact O-CG 3.26Å; T72-L76 WeakPolarHBondContact O-CG 3.35Å; T72-L76 PolarHBondContact O-N 3.39Å; T72-D271 VanDerWaalsContact CA-OD1 3.28Å; T72-D271 WeakPolarHBondContact CA-OD1 3.31Å; T72-D271 VanDerWaalsContact CB-CG 3.46Å; T72-D271 WeakPolarHBondContact CB-OD1 3.13Å; T72-D271 VanDerWaalsContact CB-OD2 3.22Å; T72-D271 WeakPolarHBondContact CB-OD2 3.26Å; T72-D271 PolarHBondContact N-OD1 3.27Å; T72-D271 PolarHBondContact N-OD2 3.16Å; T72-D271 PolarHBondContact OG1-OD2 3.24Å; T72-R275 HydrophobicContact CG2-CB 3.81Å; T72-R275 HydrophobicContact CG2-CG 4.21Å
73	L	98.9	Very high	97.9	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.1	-44.5	176.7	-54.4	-176	0	0	0	110.8	I61 T70 K75 L76 A77 V270 D271 V274 F294 F328	I61-L73 HydrophobicContact CD1-CB 3.97Å; I61-L73 HydrophobicContact CD1-CD1 3.93Å; I61-L73 HydrophobicContact CG1-CB 4.35Å; I61-L73 HydrophobicContact CG1-CD1 4.33Å; T70-L73 HydrophobicContact CG2-CD1 3.93Å; T70-L73 HydrophobicContact CG2-CG 4.49Å; T70-L73 PolarHBondContact O-N 2.88Å; L73-K75 VanDerWaalsContact C-N 3.32Å; L73-K75 PolarHBondContact O-N 3.37Å; L73-L76 PolarHBondContact O-N 3.29Å; L73-A77 WeakPolarHBondContact O-CB 3.43Å; L73-A77 PolarHBondContact O-N 2.83Å; L73-V270 HydrophobicContact CD1-CG1 4.48Å; L73-D271 PolarHBondContact N-OD1 3.08Å; L73-V274 HydrophobicContact CD2-CB 3.84Å; L73-V274 HydrophobicContact CD2-CG1 3.94Å; L73-V274 HydrophobicContact CD2-CG2 3.75Å; L73-F294 HydrophobicContact CD1-CE1 4.21Å; L73-F294 HydrophobicContact CD1-CE2 4.01Å; L73-F294 HydrophobicContact CD1-CZ 3.65Å; L73-F294 HydrophobicContact CD2-CD2 3.99Å; L73-F294 HydrophobicContact CD2-CE2 3.75Å; L73-F294 HydrophobicContact CD2-CZ 4.23Å; L73-F328 HydrophobicContact CB-CE1 4.04Å; L73-F328 HydrophobicContact CB-CZ 4.24Å; L73-F328 HydrophobicContact CD2-CE1 4.37Å; L73-F328 HydrophobicContact CD2-CZ 4.1Å
74	D	98.9	Very high	98	Very high	35 Å²	35	41.2 Å²	41.2	19%	0.187	21%	0.214	C	C	.	.	H	α-helix	trans	-61.7	-40	178.9	-60	-33.5	0	0	0	111.5	G62 Y63 T70 T72 S78	G62-D74 WeakPolarHBondContact CA-OD1 3.34Å; G62-D74 WeakPolarHBondContact CA-OD2 3.24Å; G62-D74 PolarHBondContact N-OD1 3.02Å; Y63-D74 WeakPolarHBondContact CD1-OD1 3.47Å; Y63-D74 PolarHBondContact N-OD1 3.28Å; T70-D74 WeakPolarHBondContact O-CB 3.34Å; T70-D74 PolarHBondContact O-N 3.39Å; T70-D74 PolarHBondContact OG1-OD1 3.2Å; T70-D74 VanDerWaalsContact OG1-OD1 3.13Å; T70-D74 PolarHBondContact OG1-OD2 3.21Å; T72-D74 VanDerWaalsContact C-N 3.35Å; D74-S78 VanDerWaalsContact O-CB 3.28Å; D74-S78 WeakPolarHBondContact O-CB 2.84Å; D74-S78 PolarHBondContact O-N 3.41Å; D74-S78 PolarHBondContact O-OG 3.21Å
75	K	98.8	Very high	98	Very high	116 Å²	116	39.3 Å²	39.3	50%	0.504	21%	0.206	S	C	.	.	H	α-helix	trans	-66.2	-48.5	173.3	-177.5	164.2	-174.9	165.4	0	112.2	P71 T72 L73 A77 S78 E79	P71-K75 VanDerWaalsContact O-CB 3.22Å; P71-K75 WeakPolarHBondContact O-CB 2.95Å; P71-K75 PolarHBondContact O-N 2.57Å; T72-K75 PolarHBondContact O-N 3.37Å; L73-K75 VanDerWaalsContact C-N 3.32Å; L73-K75 PolarHBondContact O-N 3.37Å; K75-A77 VanDerWaalsContact C-N 3.31Å; K75-A77 PolarHBondContact O-N 2.77Å; K75-S78 WeakPolarHBondContact CA-OG 3.27Å; K75-S78 PolarHBondContact O-N 3.22Å; K75-S78 PolarHBondContact O-OG 2.86Å; K75-S78 VanDerWaalsContact O-OG 3.1Å; K75-E79 WeakPolarHBondContact CE-OE1 3.46Å; K75-E79 HydrophobicContact CG-CG 4.38Å; K75-E79 IonicContact NZ-OE1 2.73Å; K75-E79 WeakPolarHBondContact O-CB 3.41Å; K75-E79 WeakPolarHBondContact O-CG 3.39Å; K75-E79 PolarHBondContact O-N 3.04Å
76	L	98.9	Very high	98.1	Very high	5 Å²	5	38.8 Å²	38.8	3%	0.026	20%	0.203	C	C	.	.	H	α-helix	trans	-63.2	-39.9	-179.6	-68.3	166.8	0	0	0	111.6	T72 L73 G80 V274 T278 F328 H330	T72-L76 HydrophobicContact CG2-CD1 4.05Å; T72-L76 VanDerWaalsContact O-CG 3.26Å; T72-L76 WeakPolarHBondContact O-CG 3.35Å; T72-L76 PolarHBondContact O-N 3.39Å; L73-L76 PolarHBondContact O-N 3.29Å; L76-G80 PolarHBondContact O-N 2.77Å; L76-V274 HydrophobicContact CD1-CG1 3.49Å; L76-V274 VanDerWaalsContact CD1-CG1 3.49Å; L76-T278 HydrophobicContact CD1-CG2 3.92Å; L76-T278 HydrophobicContact CD2-CG2 4.14Å; L76-F328 HydrophobicContact CB-CD2 4.47Å; L76-F328 HydrophobicContact CB-CE2 3.6Å; L76-F328 HydrophobicContact CB-CZ 4.01Å; L76-H330 HydrophobicContact CB-CB 4.21Å; L76-H330 HydrophobicContact CD2-CB 4.41Å; L76-H330 PolarHBondContact O-ND1 2.88Å
77	A	98.8	Very high	98.3	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.008	17%	0.168	C	C	.	.	H	α-helix	trans	-67.8	-40.7	176.3	0	0	0	0	0	112.8	Y63 L73 K75 G80 K82 F328	Y63-A77 HydrophobicContact CD1-CB 3.94Å; Y63-A77 HydrophobicContact CE1-CB 3.61Å; L73-A77 WeakPolarHBondContact O-CB 3.43Å; L73-A77 PolarHBondContact O-N 2.83Å; K75-A77 VanDerWaalsContact C-N 3.31Å; K75-A77 PolarHBondContact O-N 2.77Å; A77-G80 CarbonylContact O-C 3.52Å; A77-G80 PolarHBondContact O-N 2.85Å; A77-K82 HydrophobicContact CB-CG 4.01Å; A77-F328 HydrophobicContact CB-CB 3.97Å; A77-F328 HydrophobicContact CB-CD1 3.74Å; A77-F328 HydrophobicContact CB-CD2 4.15Å; A77-F328 HydrophobicContact CB-CE1 4.23Å; A77-F328 HydrophobicContact CB-CG 3.69Å
78	S	98.6	Very high	98.6	Very high	63 Å²	63	29.3 Å²	29.3	44%	0.441	15%	0.147	S	C	.	.	H	α-helix	trans	-75	-27.8	177	55.4	0	0	0	0	113.7	D74 K75 G80 R338	D74-S78 VanDerWaalsContact O-CB 3.28Å; D74-S78 WeakPolarHBondContact O-CB 2.84Å; D74-S78 PolarHBondContact O-N 3.41Å; D74-S78 PolarHBondContact O-OG 3.21Å; K75-S78 WeakPolarHBondContact CA-OG 3.27Å; K75-S78 PolarHBondContact O-N 3.22Å; K75-S78 PolarHBondContact O-OG 2.86Å; K75-S78 VanDerWaalsContact O-OG 3.1Å; S78-G80 VanDerWaalsContact C-N 3.34Å; S78-R338 WeakPolarHBondContact O-CA 3.38Å; S78-R338 WeakPolarHBondContact O-CG 3.07Å
79	E	98.7	Very high	98.7	Very high	58 Å²	58	29.3 Å²	29.3	27%	0.271	15%	0.146	S	C	.	.	H	α-helix	trans	-78.7	-17.9	169.9	-71.1	179.6	168	0	0	113	K75 H330	K75-E79 WeakPolarHBondContact CE-OE1 3.46Å; K75-E79 HydrophobicContact CG-CG 4.38Å; K75-E79 IonicContact NZ-OE1 2.73Å; K75-E79 WeakPolarHBondContact O-CB 3.41Å; K75-E79 WeakPolarHBondContact O-CG 3.39Å; K75-E79 PolarHBondContact O-N 3.04Å; E79-H330 IonicContact OE2-CE1 2.7Å; E79-H330 PolarHBondContact OE2-CE1 3.42Å
80	G	98.8	Very high	98.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-110.5	-134.3	-174.6	0	0	0	0	0	114.5	L76 A77 S78 V329 R338 R339	L76-G80 PolarHBondContact O-N 2.77Å; A77-G80 CarbonylContact O-C 3.52Å; A77-G80 PolarHBondContact O-N 2.85Å; S78-G80 VanDerWaalsContact C-N 3.34Å; G80-V329 CarbonylContact C-O 3.31Å; G80-V329 VanDerWaalsContact CA-O 3.32Å; G80-V329 WeakPolarHBondContact CA-O 3.44Å; G80-R338 WeakPolarHBondContact O-CA 3.28Å; G80-R338 PolarHBondContact O-N 2.7Å; G80-R339 PolarHBondContact O-N 3.31Å
81	V	98.9	Very high	98.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	117.9	177.7	-179.2	0	0	0	0	109.6	L83 F328 V329 L334 R339 I377	V81-L83 HydrophobicContact CG1-CD2 4.18Å; V81-F328 CarbonylContact O-C 3.54Å; V81-F328 VanDerWaalsContact O-CA 3.25Å; V81-F328 WeakPolarHBondContact O-CA 3.46Å; V81-F328 WeakPolarHBondContact O-CB 3.27Å; V81-V329 PolarHBondContact N-O 3.29Å; V81-V329 PolarHBondContact O-N 3.41Å; V81-L334 HydrophobicContact CG2-CD1 4.08Å; V81-L334 HydrophobicContact CG2-CD2 4.09Å; V81-R339 WeakPolarHBondContact CA-O 3.36Å; V81-R339 HydrophobicContact CG1-CG 4.22Å; V81-R339 HydrophobicContact CG2-CG 3.99Å; V81-I377 HydrophobicContact CB-CG2 4.49Å
82	K	98.9	Very high	98.6	Very high	39 Å²	39	20.2 Å²	20.2	17%	0.17	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	143.4	171.1	-68.5	179	179.1	-177.8	0	111.2	Y63 A77 E84 R339 V340 S341	Y63-K82 VanDerWaalsContact CB-NZ 3.27Å; Y63-K82 HydrophobicContact CD2-CD 3.86Å; Y63-K82 VanDerWaalsContact CD2-NZ 3.29Å; Y63-K82 HydrophobicContact CE2-CD 3.76Å; Y63-K82 HydrophobicContact CE2-CG 4.26Å; Y63-K82 HydrophobicContact CG-CD 4.35Å; Y63-K82 VanDerWaalsContact CG-NZ 3.29Å; A77-K82 HydrophobicContact CB-CG 4.01Å; K82-E84 HydrophobicContact CB-CG 4.45Å; K82-R339 PolarHBondContact N-O 2.96Å; K82-V340 HydrophobicContact CB-CG2 4.35Å; K82-V340 HydrophobicContact CD-CG2 4.29Å; K82-S341 WeakPolarHBondContact O-CB 3.4Å; K82-S341 PolarHBondContact O-N 3.31Å
83	L	98.8	Very high	98.6	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.01	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	84.3	-174.9	-52.9	177.9	0	0	0	111	V81 N85 Y86 G327 V329 M345 W350	V81-L83 HydrophobicContact CG1-CD2 4.18Å; L83-N85 PolarHBondContact O-N 2.74Å; L83-Y86 HydrophobicContact CB-CG 4.25Å; L83-Y86 HydrophobicContact CD1-CG 4.39Å; L83-Y86 WeakPolarHBondContact O-CB 3.35Å; L83-G327 WeakPolarHBondContact CB-O 3.44Å; L83-G327 PolarHBondContact N-O 3.09Å; L83-V329 HydrophobicContact CD1-CG2 4.34Å; L83-M345 HydrophobicContact CD1-CE 3.72Å; L83-M345 HydrophobicContact CD2-CE 3.84Å; L83-M345 HydrophobicContact CD2-SD 3.88Å; L83-M345 HydrophobicContact CG-CE 4.36Å; L83-W350 HydrophobicContact CD1-CH2 4.02Å; L83-W350 HydrophobicContact CD1-CZ2 3.84Å
84	E	98.4	Very high	98.6	Very high	24 Å²	24	19.2 Å²	19.2	11%	0.112	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	2.7	-170.1	-61.3	-53.1	143.8	0	0	114.6	H64 K82 R324 V340 S341	H64-E84 IonicContact CE1-OE1 3.8Å; H64-E84 IonicContact CE1-OE2 3.34Å; H64-E84 PolarHBondContact CE1-OE2 3.17Å; H64-E84 IonicContact NE2-OE1 3.49Å; H64-E84 PolarHBondContact NE2-OE1 3.09Å; H64-E84 IonicContact NE2-OE2 3.29Å; H64-E84 PolarHBondContact NE2-OE2 3.28Å; K82-E84 HydrophobicContact CB-CG 4.45Å; E84-R324 PolarHBondContact O-NE 2.8Å; E84-R324 PolarHBondContact O-NH2 2.92Å; E84-V340 HydrophobicContact CB-CG1 4.04Å; E84-V340 HydrophobicContact CG-CG1 3.57Å; E84-S341 PolarHBondContact N-O 3.27Å
85	N	98.5	Very high	98.6	Very high	19 Å²	19	17.6 Å²	17.6	10%	0.102	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.5	40.5	174.3	-161.7	20.5	0	0	0	110.6	L83 K342 M345 R423	L83-N85 PolarHBondContact O-N 2.74Å; N85-K342 VanDerWaalsContact CB-O 3.22Å; N85-K342 WeakPolarHBondContact CB-O 3.48Å; N85-K342 PolarHBondContact ND2-O 3.33Å; N85-M345 PolarHBondContact O-N 3.16Å; N85-R423 PolarHBondContact OD1-NH1 3.48Å
86	Y	98.9	Very high	98.6	Very high	1 Å²	1	12.1 Å²	12.1	0%	0.004	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	137.7	-174.4	168.3	-114	0	0	0	112.1	L83 V88 S295 G325 M345 W350	L83-Y86 HydrophobicContact CB-CG 4.25Å; L83-Y86 HydrophobicContact CD1-CG 4.39Å; L83-Y86 WeakPolarHBondContact O-CB 3.35Å; Y86-V88 HydrophobicContact CE1-CG1 3.8Å; Y86-S295 WeakPolarHBondContact CE1-OG 3.22Å; Y86-S295 PolarHBondContact OH-OG 2.82Å; Y86-G325 PolarHBondContact O-N 2.74Å; Y86-M345 WeakPolarHBondContact CA-O 3.4Å; Y86-M345 HydrophobicContact CD2-CB 4Å; Y86-W350 HydrophobicContact CE2-CZ2 4.27Å; Y86-W350 AromaticContact CE2-NE1 3.52Å; Y86-W350 AromaticContact CZ-NE1 3.55Å; Y86-W350 PolarHBondContact OH-NE1 3.43Å
87	Y	98.9	Very high	98.6	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	144.4	-172.7	-70	-83.7	0	0	0	113.6	E320 V323 R324 L344 M345 H346 I347 I388 H390 R423	Y87-E320 WeakPolarHBondContact CE1-OE1 3.44Å; Y87-E320 PolarHBondContact OH-OE1 2.8Å; Y87-E320 PolarHBondContact OH-OE2 3.05Å; Y87-V323 CarbonylContact C-O 3.59Å; Y87-V323 VanDerWaalsContact CA-O 3.32Å; Y87-V323 WeakPolarHBondContact CA-O 3.07Å; Y87-V323 HydrophobicContact CD1-CB 4.25Å; Y87-V323 HydrophobicContact CD1-CG2 3.92Å; Y87-V323 WeakPolarHBondContact CD1-O 3.21Å; Y87-V323 HydrophobicContact CE1-CG2 4.1Å; Y87-R324 HydrophobicContact CD1-CB 4.24Å; Y87-R324 HydrophobicContact CE1-CB 3.84Å; Y87-R324 HydrophobicContact CE1-CG 4.08Å; Y87-L344 HydrophobicContact CD2-CD1 3.94Å; Y87-L344 HydrophobicContact CE2-CD1 3.72Å; Y87-M345 PolarHBondContact N-O 2.82Å; Y87-H346 CarbonylContact O-C 3.52Å; Y87-H346 VanDerWaalsContact O-CA 3.29Å; Y87-H346 WeakPolarHBondContact O-CA 3.29Å; Y87-H346 PolarHBondContact O-CD2 2.89Å; Y87-H346 VanDerWaalsContact O-CD2 3.29Å; Y87-I347 PolarHBondContact O-N 2.86Å; Y87-I388 HydrophobicContact CD2-CD1 3.51Å; Y87-I388 HydrophobicContact CE2-CD1 4.35Å; Y87-I388 HydrophobicContact CG-CD1 3.92Å; Y87-H390 AromaticContact CD1-CE1 3.68Å; Y87-R423 PolarHBondContact OH-NH1 3.36Å
88	V	98.9	Very high	98.6	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.064	C	C	.	.			trans	-127.6	177.2	173.6	-59.5	0	0	0	0	108.2	Y86 D297 V323 I347	Y86-V88 HydrophobicContact CE1-CG1 3.8Å; V88-D297 WeakPolarHBondContact CB-O 3.47Å; V88-D297 WeakPolarHBondContact CG2-O 3.46Å; V88-V323 PolarHBondContact N-O 2.99Å; V88-V323 WeakPolarHBondContact O-CB 3.22Å; V88-V323 VanDerWaalsContact O-O 3.09Å; V88-I347 HydrophobicContact CB-CD1 4.48Å; V88-I347 HydrophobicContact CG1-CB 4.25Å; V88-I347 HydrophobicContact CG1-CD1 4.07Å
89	Q	98.8	Very high	98.6	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.043	C	C	.	.			trans	-85.5	159.8	172	-64.1	-62	-26.9	0	0	111	I91 P94 S95 Q98 Q105 N298 H346 H390	Q89-I91 PolarHBondContact O-N 3.01Å; Q89-P94 HydrophobicContact CB-CB 3.56Å; Q89-P94 HydrophobicContact CG-CB 4.01Å; Q89-S95 WeakPolarHBondContact CA-OG 3.43Å; Q89-S95 VanDerWaalsContact CB-OG 3.32Å; Q89-S95 WeakPolarHBondContact CB-OG 3.46Å; Q89-S95 PolarHBondContact N-OG 2.85Å; Q89-S95 PolarHBondContact O-OG 3.21Å; Q89-Q98 HydrophobicContact CG-CG 4.2Å; Q89-Q98 VanDerWaalsContact CG-NE2 3.34Å; Q89-Q105 VanDerWaalsContact CD-OE1 3.31Å; Q89-N298 VanDerWaalsContact O-CB 3.29Å; Q89-N298 WeakPolarHBondContact O-CB 3.1Å; Q89-H346 PolarHBondContact NE2-NE2 3.43Å; Q89-H390 VanDerWaalsContact CD-O 3.28Å; Q89-H390 PolarHBondContact NE2-O 2.73Å; Q89-H390 PolarHBondContact OE1-O 3.31Å
90	P	98.1	Very high	98.6	Very high	4 Å²	4	6.2 Å²	6.2	3%	0.026	3%	0.031	C	C	.	.	S	Bend	trans	-78.9	-0.6	-170.1	31.3	-35.1	0	0	0	114.7	N298 G316 T317 Y318 V323	P90-N298 VanDerWaalsContact C-CB 3.46Å; P90-G316 PolarHBondContact O-N 3.21Å; P90-T317 VanDerWaalsContact CB-O 3.24Å; P90-T317 WeakPolarHBondContact CB-O 3.44Å; P90-Y318 HydrophobicContact CG-CD1 3.87Å; P90-Y318 HydrophobicContact CG-CE1 3.9Å; P90-V323 HydrophobicContact CB-CG1 3.97Å; P90-V323 HydrophobicContact CG-CG1 4.24Å
91	I	97.2	Very high	98.6	Very high	34 Å²	34	6.3 Å²	6.3	17%	0.174	3%	0.031	C	C	.	.	S	Bend	trans	-151.6	156.4	-178.3	37.8	163.2	0	0	0	112	Q89 P94 S95 S113 I114 N298 K315	Q89-I91 PolarHBondContact O-N 3.01Å; I91-P94 HydrophobicContact CD1-CG 3.86Å; I91-P94 HydrophobicContact CG1-CB 4.39Å; I91-P94 HydrophobicContact CG1-CG 3.8Å; I91-P94 WeakPolarHBondContact O-CB 3.32Å; I91-P94 WeakPolarHBondContact O-CD 3.39Å; I91-S95 PolarHBondContact O-N 2.65Å; I91-S113 WeakPolarHBondContact CD1-O 3.21Å; I91-I114 HydrophobicContact CB-CG2 4.21Å; I91-I114 HydrophobicContact CD1-CG2 4.05Å; I91-N298 VanDerWaalsContact C-OD1 3.27Å; I91-N298 WeakPolarHBondContact CA-OD1 3.2Å; I91-K315 HydrophobicContact CG2-CG 4.12Å
92	C	97.8	Very high	98.6	Very high	2 Å²	2	6.3 Å²	6.3	1%	0.014	3%	0.031	C	C	.	.	H	α-helix	trans	-57.6	-58.5	-164.2	-42	0	0	0	0	116	D54 S95 R96 H148 D297 N298	D54-C92 PolarHBondContact OD1-SG 3.07Å; C92-S95 PolarHBondContact O-N 2.8Å; C92-R96 WeakPolarHBondContact O-CB 3.29Å; C92-R96 VanDerWaalsContact O-CD 3.31Å; C92-R96 WeakPolarHBondContact O-CD 3.36Å; C92-R96 VanDerWaalsContact O-CG 3.26Å; C92-R96 WeakPolarHBondContact O-CG 3.46Å; C92-R96 PolarHBondContact O-N 3.45Å; C92-H148 WeakPolarHBondContact CB-ND1 3.49Å; C92-D297 VanDerWaalsContact CA-OD2 3.22Å; C92-D297 WeakPolarHBondContact CA-OD2 3.43Å; C92-D297 WeakPolarHBondContact CB-OD2 3.48Å; C92-N298 PolarHBondContact N-OD1 2.88Å; C92-N298 VanDerWaalsContact N-OD1 3.08Å; C92-N298 PolarHBondContact SG-OD1 3.34Å; C92-N298 VanDerWaalsContact SG-OD1 3.4Å
93	T	98.7	Very high	98.6	Very high	1 Å²	1	6.8 Å²	6.8	1%	0.006	3%	0.032	C	C	.	.	H	α-helix	trans	-58.5	-47.9	-175.5	-65.5	0	0	0	0	111.8	R96 S97 L110 I115 H148 L149	T93-R96 PolarHBondContact O-N 2.89Å; T93-S97 VanDerWaalsContact O-CB 3.31Å; T93-S97 WeakPolarHBondContact O-CB 3.43Å; T93-S97 PolarHBondContact O-N 2.8Å; T93-S97 PolarHBondContact O-OG 2.92Å; T93-L110 HydrophobicContact CG2-CD1 4.39Å; T93-I115 HydrophobicContact CG2-CB 4.31Å; T93-I115 HydrophobicContact CG2-CD1 3.74Å; T93-I115 HydrophobicContact CG2-CG1 3.91Å; T93-I115 PolarHBondContact OG1-N 2.83Å; T93-H148 PolarHBondContact OG1-CD2 3.45Å; T93-H148 VanDerWaalsContact OG1-CD2 3.32Å; T93-H148 PolarHBondContact OG1-CE1 2.75Å; T93-H148 VanDerWaalsContact OG1-CE1 3.3Å; T93-H148 PolarHBondContact OG1-ND1 2.97Å; T93-H148 PolarHBondContact OG1-NE2 3.02Å; T93-H148 PolarHBondContact OG1-O 3.06Å; T93-L149 HydrophobicContact CG2-CD2 4.07Å; T93-L149 WeakPolarHBondContact O-CD2 3.37Å
94	P	98.6	Very high	98.6	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-43.1	-65.6	166.4	-41.6	46.3	0	0	0	114.6	Q89 I91 R96 S97 Q98 Q105	Q89-P94 HydrophobicContact CB-CB 3.56Å; Q89-P94 HydrophobicContact CG-CB 4.01Å; I91-P94 HydrophobicContact CD1-CG 3.86Å; I91-P94 HydrophobicContact CG1-CB 4.39Å; I91-P94 HydrophobicContact CG1-CG 3.8Å; I91-P94 WeakPolarHBondContact O-CB 3.32Å; I91-P94 WeakPolarHBondContact O-CD 3.39Å; P94-R96 VanDerWaalsContact C-N 3.3Å; P94-R96 PolarHBondContact O-N 2.83Å; P94-S97 PolarHBondContact O-N 3.21Å; P94-S97 PolarHBondContact O-OG 3.47Å; P94-Q98 VanDerWaalsContact O-CG 3.31Å; P94-Q98 WeakPolarHBondContact O-CG 3.17Å; P94-Q98 PolarHBondContact O-N 3.41Å; P94-Q105 VanDerWaalsContact CB-CD 3.41Å; P94-Q105 HydrophobicContact CB-CG 4.07Å; P94-Q105 HydrophobicContact CG-CG 4.33Å
95	S	98.8	Very high	98.6	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-56	-44.2	-177.1	-79.3	0	0	0	0	113.1	Q89 I91 C92 S97 Q98 L99 D297	Q89-S95 WeakPolarHBondContact CA-OG 3.43Å; Q89-S95 VanDerWaalsContact CB-OG 3.32Å; Q89-S95 WeakPolarHBondContact CB-OG 3.46Å; Q89-S95 PolarHBondContact N-OG 2.85Å; Q89-S95 PolarHBondContact O-OG 3.21Å; I91-S95 PolarHBondContact O-N 2.65Å; C92-S95 PolarHBondContact O-N 2.8Å; S95-S97 VanDerWaalsContact C-N 3.31Å; S95-S97 PolarHBondContact O-N 3.18Å; S95-Q98 PolarHBondContact O-N 3.28Å; S95-L99 WeakPolarHBondContact O-CB 3.19Å; S95-L99 PolarHBondContact O-N 2.8Å; S95-D297 WeakPolarHBondContact CB-O 3.36Å; S95-D297 PolarHBondContact OG-O 2.88Å
96	R	98.9	Very high	98.6	Very high	2 Å²	2	5 Å²	5	1%	0.008	2%	0.022	C	C	.	.	H	α-helix	trans	-63.8	-38.1	179	-66.5	160.5	-167.9	-92.3	-8.2	111	L52 D54 C92 T93 P94 I100 K146 L149 S234 D297	L52-R96 HydrophobicContact CD2-CG 3.94Å; D54-R96 IonicContact OD1-NH2 2.91Å; D54-R96 PolarHBondContact OD1-NH2 3.49Å; D54-R96 VanDerWaalsContact OD1-NH2 3.11Å; C92-R96 WeakPolarHBondContact O-CB 3.29Å; C92-R96 VanDerWaalsContact O-CD 3.31Å; C92-R96 WeakPolarHBondContact O-CD 3.36Å; C92-R96 VanDerWaalsContact O-CG 3.26Å; C92-R96 WeakPolarHBondContact O-CG 3.46Å; C92-R96 PolarHBondContact O-N 3.45Å; T93-R96 PolarHBondContact O-N 2.89Å; P94-R96 VanDerWaalsContact C-N 3.3Å; P94-R96 PolarHBondContact O-N 2.83Å; R96-I100 WeakPolarHBondContact O-CB 3.39Å; R96-I100 WeakPolarHBondContact O-CG1 3.27Å; R96-I100 PolarHBondContact O-N 3.23Å; R96-I100 VanDerWaalsContact O-N 3.08Å; R96-K146 PolarHBondContact NH1-O 3.02Å; R96-K146 VanDerWaalsContact NH1-O 3.09Å; R96-L149 HydrophobicContact CB-CD1 4.38Å; R96-L149 HydrophobicContact CB-CD2 3.7Å; R96-L149 HydrophobicContact CB-CG 4.15Å; R96-S234 PolarHBondContact NH1-OG 3.43Å; R96-D297 IonicContact CZ-OD2 3.75Å; R96-D297 IonicContact NE-OD2 3.99Å; R96-D297 PolarHBondContact NE-OD2 3.36Å; R96-D297 IonicContact NH2-OD2 3.77Å; R96-D297 PolarHBondContact NH2-OD2 2.79Å
97	S	98.7	Very high	98.5	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-69.4	-39.8	178.2	73.5	0	0	0	0	111.7	T93 P94 S95 I100 T101	T93-S97 VanDerWaalsContact O-CB 3.31Å; T93-S97 WeakPolarHBondContact O-CB 3.43Å; T93-S97 PolarHBondContact O-N 2.8Å; T93-S97 PolarHBondContact O-OG 2.92Å; P94-S97 PolarHBondContact O-N 3.21Å; P94-S97 PolarHBondContact O-OG 3.47Å; S95-S97 VanDerWaalsContact C-N 3.31Å; S95-S97 PolarHBondContact O-N 3.18Å; S97-I100 PolarHBondContact O-N 3.1Å; S97-T101 WeakPolarHBondContact O-CB 3.38Å; S97-T101 PolarHBondContact O-N 3.32Å; S97-T101 PolarHBondContact O-OG1 3.36Å
98	Q	98.9	Very high	98.5	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-72.7	-35.8	-179.9	-62.4	-153.2	14	0	0	112	Q89 P94 S95 G102 R103 Q105 H346 I347 T348	Q89-Q98 HydrophobicContact CG-CG 4.2Å; Q89-Q98 VanDerWaalsContact CG-NE2 3.34Å; P94-Q98 VanDerWaalsContact O-CG 3.31Å; P94-Q98 WeakPolarHBondContact O-CG 3.17Å; P94-Q98 PolarHBondContact O-N 3.41Å; S95-Q98 PolarHBondContact O-N 3.28Å; Q98-G102 VanDerWaalsContact O-CA 3.31Å; Q98-G102 WeakPolarHBondContact O-CA 3.18Å; Q98-G102 PolarHBondContact O-N 2.94Å; Q98-R103 WeakPolarHBondContact CA-O 3.49Å; Q98-R103 VanDerWaalsContact CG-O 3.23Å; Q98-R103 WeakPolarHBondContact CG-O 3.46Å; Q98-Q105 HydrophobicContact CG-CG 4.4Å; Q98-Q105 VanDerWaalsContact NE2-N 3.16Å; Q98-H346 PolarHBondContact OE1-CE1 3.18Å; Q98-I347 HydrophobicContact CB-CG2 3.91Å; Q98-T348 HydrophobicContact CB-CG2 3.82Å; Q98-T348 HydrophobicContact CG-CG2 4.47Å
99	L	98.9	Very high	98.4	Very high	2 Å²	2	6.4 Å²	6.4	1%	0.01	3%	0.029	C	C	.	.	H	α-helix	trans	-61.5	-47.9	169.9	176.8	59	0	0	0	112	F50 L52 S95 T101 F232 I347 W350	F50-L99 HydrophobicContact CD1-CD2 4.29Å; F50-L99 HydrophobicContact CD2-CD1 4.46Å; F50-L99 HydrophobicContact CE1-CD1 4.35Å; F50-L99 HydrophobicContact CE1-CD2 3.82Å; F50-L99 HydrophobicContact CE2-CD1 3.81Å; F50-L99 HydrophobicContact CZ-CD1 3.75Å; F50-L99 HydrophobicContact CZ-CD2 4.03Å; L52-L99 HydrophobicContact CD2-CD2 4.25Å; S95-L99 WeakPolarHBondContact O-CB 3.19Å; S95-L99 PolarHBondContact O-N 2.8Å; L99-T101 PolarHBondContact O-N 3.07Å; L99-F232 HydrophobicContact CD2-CE2 3.69Å; L99-F232 HydrophobicContact CD2-CZ 3.89Å; L99-I347 HydrophobicContact CB-CD1 4.04Å; L99-I347 HydrophobicContact CB-CG1 3.98Å; L99-I347 HydrophobicContact CD1-CG1 4.28Å; L99-W350 HydrophobicContact CD1-CB 3.68Å; L99-W350 HydrophobicContact CD1-CG 4.08Å
100	I	98.7	Very high	98.4	Very high	1 Å²	1	6.8 Å²	6.8	1%	0.005	3%	0.031	C	C	.	.	H	α-helix	trans	-77.7	-18.1	-173.2	-66.9	-67.2	0	0	0	112.8	R96 S97 L123 T129 L130 W147 L149 F163 F232	R96-I100 WeakPolarHBondContact O-CB 3.39Å; R96-I100 WeakPolarHBondContact O-CG1 3.27Å; R96-I100 PolarHBondContact O-N 3.23Å; R96-I100 VanDerWaalsContact O-N 3.08Å; S97-I100 PolarHBondContact O-N 3.1Å; I100-L123 HydrophobicContact CG2-CD2 3.85Å; I100-T129 HydrophobicContact CG2-CG2 3.73Å; I100-T129 CarbonylContact O-C 3.5Å; I100-T129 VanDerWaalsContact O-CA 3.3Å; I100-T129 WeakPolarHBondContact O-CA 3.39Å; I100-L130 PolarHBondContact O-N 2.72Å; I100-W147 HydrophobicContact CG1-CZ3 4.45Å; I100-W147 HydrophobicContact CG2-CH2 4.46Å; I100-L149 HydrophobicContact CB-CD1 4.08Å; I100-L149 HydrophobicContact CG1-CD1 3.97Å; I100-L149 HydrophobicContact CG2-CD1 4.29Å; I100-F163 HydrophobicContact CD1-CE2 4.48Å; I100-F163 HydrophobicContact CD1-CZ 4.3Å; I100-F232 HydrophobicContact CD1-CD1 4.48Å; I100-F232 HydrophobicContact CD1-CE1 4.23Å
101	T	98.4	Very high	98.4	Very high	2 Å²	2	6.9 Å²	6.9	1%	0.012	3%	0.032	C	C	.	.	H	α-helix	trans	-120	-12.7	179.9	60.4	0	0	0	0	116.2	S97 L99 R103 L123 M127 L368	S97-T101 WeakPolarHBondContact O-CB 3.38Å; S97-T101 PolarHBondContact O-N 3.32Å; S97-T101 PolarHBondContact O-OG1 3.36Å; L99-T101 PolarHBondContact O-N 3.07Å; T101-R103 PolarHBondContact O-N 3.41Å; T101-L123 HydrophobicContact CG2-CD1 3.63Å; T101-L123 HydrophobicContact CG2-CD2 3.77Å; T101-L123 HydrophobicContact CG2-CG 4.07Å; T101-M127 HydrophobicContact CG2-CB 4.15Å; T101-M127 HydrophobicContact CG2-SD 4.22Å; T101-L368 VanDerWaalsContact O-CD2 3.26Å; T101-L368 WeakPolarHBondContact O-CD2 3.3Å
102	G	98.5	Very high	98.4	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	3%	0.033	C	C	.	.	S	Bend	trans	64.7	18	-174.7	0	0	0	0	0	114.5	Q98 D369 G370	Q98-G102 VanDerWaalsContact O-CA 3.31Å; Q98-G102 WeakPolarHBondContact O-CA 3.18Å; Q98-G102 PolarHBondContact O-N 2.94Å; G102-D369 PolarHBondContact O-N 3.26Å; G102-G370 PolarHBondContact O-N 3.01Å; G102-G370 VanDerWaalsContact O-N 3.14Å
103	R	98.6	Very high	98.3	Very high	49 Å²	49	9.2 Å²	9.2	19%	0.185	5%	0.046	C	C	.	.	S	Bend	trans	-124.1	148.2	-174	-73.4	167.3	156.2	-88.5	11.8	111.2	Q98 T101 T108 E366 G367 D369	Q98-R103 WeakPolarHBondContact CA-O 3.49Å; Q98-R103 VanDerWaalsContact CG-O 3.23Å; Q98-R103 WeakPolarHBondContact CG-O 3.46Å; T101-R103 PolarHBondContact O-N 3.41Å; R103-T108 HydrophobicContact CB-CG2 4.4Å; R103-E366 PolarHBondContact NH2-O 3.4Å; R103-G367 WeakPolarHBondContact CG-O 3.2Å; R103-G367 PolarHBondContact NE-O 3.02Å; R103-G367 PolarHBondContact NH1-O 3.04Å; R103-G367 VanDerWaalsContact NH1-O 3.11Å; R103-D369 WeakPolarHBondContact CA-OD2 3.31Å
104	Y	98.8	Very high	98.3	Very high	3 Å²	3	11.7 Å²	11.7	1%	0.012	6%	0.058	C	C	.	.			trans	-69.5	154.2	172.1	-62.8	-54.9	0	0	0	111.4	I106 H107 H346 T348 D369 R385 L389 Y499	Y104-I106 PolarHBondContact O-N 2.84Å; Y104-I106 VanDerWaalsContact O-N 3.07Å; Y104-H107 PolarHBondContact O-N 2.84Å; Y104-H346 AromaticContact CD1-CE1 3.83Å; Y104-H346 AromaticContact CE1-CE1 3.49Å; Y104-H346 VanDerWaalsContact CE1-CE1 3.49Å; Y104-H346 WeakPolarHBondContact CE1-CE1 3.25Å; Y104-H346 AromaticContact CE1-ND1 3.82Å; Y104-T348 HydrophobicContact CD1-CG2 4.38Å; Y104-D369 HydrophobicContact CD1-CB 4.38Å; Y104-D369 HydrophobicContact CD2-CB 3.51Å; Y104-D369 WeakPolarHBondContact CD2-OD1 3.26Å; Y104-D369 WeakPolarHBondContact CD2-OD2 3.31Å; Y104-D369 HydrophobicContact CE1-CB 4.38Å; Y104-D369 HydrophobicContact CE2-CB 3.5Å; Y104-D369 VanDerWaalsContact CE2-CG 3.49Å; Y104-D369 WeakPolarHBondContact CE2-OD1 3.44Å; Y104-D369 HydrophobicContact CG-CB 3.95Å; Y104-D369 PolarHBondContact N-OD2 2.86Å; Y104-R385 PolarHBondContact OH-NH1 3.08Å; Y104-L389 HydrophobicContact CD1-CB 4.47Å; Y104-L389 HydrophobicContact CD2-CB 4.19Å; Y104-L389 HydrophobicContact CE1-CB 4.23Å; Y104-L389 WeakPolarHBondContact CE1-O 3.45Å; Y104-L389 HydrophobicContact CE2-CB 3.94Å; Y104-L389 HydrophobicContact CG-CB 4.48Å; Y104-L389 PolarHBondContact OH-N 3.25Å; Y104-Y499 HydrophobicContact CD2-CE1 4.21Å; Y104-Y499 AromaticContact CE2-CE1 3.81Å; Y104-Y499 HydrophobicContact CE2-CE1 3.81Å; Y104-Y499 AromaticContact CE2-CZ 3.96Å
105	Q	98.3	Very high	98.3	Very high	2 Å²	2	12.1 Å²	12.1	1%	0.009	6%	0.061	C	C	.	.	H	α-helix	trans	-53.6	-30.3	174.2	-73.1	151.5	-94.8	0	0	113.9	Q89 P94 Q98 H107 T108 G109 L110 Q111	Q89-Q105 VanDerWaalsContact CD-OE1 3.31Å; P94-Q105 VanDerWaalsContact CB-CD 3.41Å; P94-Q105 HydrophobicContact CB-CG 4.07Å; P94-Q105 HydrophobicContact CG-CG 4.33Å; Q98-Q105 HydrophobicContact CG-CG 4.4Å; Q98-Q105 VanDerWaalsContact NE2-N 3.16Å; Q105-H107 PolarHBondContact O-N 3.27Å; Q105-H107 VanDerWaalsContact O-N 3.13Å; Q105-T108 WeakPolarHBondContact CA-OG1 3.22Å; Q105-T108 PolarHBondContact O-N 3.48Å; Q105-T108 VanDerWaalsContact O-N 3.09Å; Q105-T108 PolarHBondContact O-OG1 3.27Å; Q105-G109 PolarHBondContact O-N 2.77Å; Q105-L110 HydrophobicContact CG-CB 4.37Å; Q105-L110 VanDerWaalsContact CG-O 3.27Å; Q105-L110 WeakPolarHBondContact CG-O 3.36Å; Q105-L110 PolarHBondContact NE2-O 2.92Å; Q105-L110 PolarHBondContact O-N 3.17Å; Q105-Q111 HydrophobicContact CB-CG 4.29Å; Q105-Q111 PolarHBondContact NE2-O 3.34Å
106	I	98.5	Very high	98.2	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-61	-18.2	177.5	59.3	153.7	0	0	0	113.2	Y104 Q111 L389 I392 Y499 A503 V504	Y104-I106 PolarHBondContact O-N 2.84Å; Y104-I106 VanDerWaalsContact O-N 3.07Å; I106-Q111 HydrophobicContact CG2-CG 3.95Å; I106-L389 HydrophobicContact CD1-CD2 3.6Å; I106-L389 HydrophobicContact CG1-CD2 3.91Å; I106-L389 HydrophobicContact CG2-CD2 3.9Å; I106-I392 HydrophobicContact CG2-CB 4.14Å; I106-I392 HydrophobicContact CG2-CD1 4.49Å; I106-Y499 HydrophobicContact CD1-CD1 3.86Å; I106-Y499 HydrophobicContact CD1-CG 4.34Å; I106-A503 HydrophobicContact CB-CB 3.98Å; I106-A503 HydrophobicContact CG2-CB 4.46Å; I106-A503 CarbonylContact O-C 3.32Å; I106-A503 WeakPolarHBondContact O-CA 3.07Å; I106-V504 PolarHBondContact O-N 3.06Å
107	H	98.4	Very high	98.1	Very high	30 Å²	30	18 Å²	18	14%	0.139	8%	0.084	C	C	.	.	H	α-helix	trans	-102.1	-20.6	172.3	-54.6	157.6	0	0	0	113.3	Y104 Q105 M127 D369 T502 V504	Y104-H107 PolarHBondContact O-N 2.84Å; Q105-H107 PolarHBondContact O-N 3.27Å; Q105-H107 VanDerWaalsContact O-N 3.13Å; H107-M127 VanDerWaalsContact O-CE 3.28Å; H107-M127 WeakPolarHBondContact O-CE 3.3Å; H107-D369 IonicContact CE1-OD1 2.76Å; H107-D369 PolarHBondContact CE1-OD1 2.84Å; H107-D369 IonicContact CE1-OD2 3.78Å; H107-D369 PolarHBondContact CE1-OD2 2.81Å; H107-D369 VanDerWaalsContact CE1-OD2 3.29Å; H107-D369 IonicContact ND1-OD2 2.96Å; H107-D369 PolarHBondContact ND1-OD2 2.8Å; H107-D369 VanDerWaalsContact ND1-OD2 3.15Å; H107-T502 PolarHBondContact CD2-O 3.03Å; H107-T502 PolarHBondContact NE2-OG1 2.78Å; H107-T502 VanDerWaalsContact NE2-OG1 3.16Å; H107-V504 WeakPolarHBondContact O-CG2 3.46Å
108	T	97.6	Very high	98	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.012	9%	0.093	C	C	.	.	H	α-helix	trans	-89	-13.2	179	72.2	0	0	0	0	113.8	R103 Q105 L110 P124 M127	R103-T108 HydrophobicContact CB-CG2 4.4Å; Q105-T108 WeakPolarHBondContact CA-OG1 3.22Å; Q105-T108 PolarHBondContact O-N 3.48Å; Q105-T108 VanDerWaalsContact O-N 3.09Å; Q105-T108 PolarHBondContact O-OG1 3.27Å; T108-L110 VanDerWaalsContact C-N 3.28Å; T108-L110 WeakPolarHBondContact OG1-CB 3.46Å; T108-L110 WeakPolarHBondContact OG1-CG 3.48Å; T108-L110 PolarHBondContact OG1-N 2.74Å; T108-P124 WeakPolarHBondContact O-CG 3.16Å; T108-M127 HydrophobicContact CG2-CE 4.14Å; T108-M127 HydrophobicContact CG2-SD 3.78Å
109	G	98	Very high	97.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	9.4	-173.6	0	0	0	0	0	113.6	Q105 Q111 V504 R507	Q105-G109 PolarHBondContact O-N 2.77Å; G109-Q111 PolarHBondContact O-OE1 3.48Å; G109-V504 VanDerWaalsContact N-CG2 3.35Å; G109-R507 WeakPolarHBondContact O-CB 3.41Å; G109-R507 PolarHBondContact O-N 3.22Å
110	L	98.3	Very high	97.9	Very high	8 Å²	8	21 Å²	21	4%	0.042	10%	0.098	C	C	.	.			trans	-98.9	32.7	-177.1	-56.5	178.4	0	0	0	112.3	T93 Q105 T108 H112 I115 L123	T93-L110 HydrophobicContact CG2-CD1 4.39Å; Q105-L110 HydrophobicContact CG-CB 4.37Å; Q105-L110 VanDerWaalsContact CG-O 3.27Å; Q105-L110 WeakPolarHBondContact CG-O 3.36Å; Q105-L110 PolarHBondContact NE2-O 2.92Å; Q105-L110 PolarHBondContact O-N 3.17Å; T108-L110 VanDerWaalsContact C-N 3.28Å; T108-L110 WeakPolarHBondContact OG1-CB 3.46Å; T108-L110 WeakPolarHBondContact OG1-CG 3.48Å; T108-L110 PolarHBondContact OG1-N 2.74Å; L110-H112 PolarHBondContact O-N 3.13Å; L110-I115 HydrophobicContact CD1-CD1 4.26Å; L110-I115 HydrophobicContact CD2-CD1 4.01Å; L110-I115 HydrophobicContact CD2-CG1 4.21Å; L110-L123 HydrophobicContact CD1-CD1 4.37Å
111	Q	98.1	Very high	97.8	Very high	6 Å²	6	21.1 Å²	21.1	3%	0.028	10%	0.099	C	C	.	.			trans	-64	-39.4	-177.7	-59.5	95.3	-39	0	0	112.6	Q105 I106 G109 N391 I392 V504 V506	Q105-Q111 HydrophobicContact CB-CG 4.29Å; Q105-Q111 PolarHBondContact NE2-O 3.34Å; I106-Q111 HydrophobicContact CG2-CG 3.95Å; G109-Q111 PolarHBondContact O-OE1 3.48Å; Q111-N391 PolarHBondContact O-ND2 3.47Å; Q111-I392 WeakPolarHBondContact CB-O 3.32Å; Q111-I392 WeakPolarHBondContact CG-O 3.39Å; Q111-V504 PolarHBondContact NE2-O 2.83Å; Q111-V506 HydrophobicContact CB-CG2 4.26Å
112	H	97.7	Very high	97.8	Very high	45 Å²	45	21.1 Å²	21.1	21%	0.208	10%	0.099	C	C	.	.	S	Bend	trans	-95.2	121.6	-173.8	-173.2	69.8	0	0	0	111.7	L110 D393 L395 V506 F508	L110-H112 PolarHBondContact O-N 3.13Å; H112-D393 IonicContact CE1-OD2 3.3Å; H112-D393 IonicContact CG-OD1 3.37Å; H112-D393 IonicContact CG-OD2 2.72Å; H112-D393 IonicContact ND1-OD1 3.84Å; H112-D393 PolarHBondContact ND1-OD1 3.24Å; H112-D393 IonicContact ND1-OD2 3.61Å; H112-D393 PolarHBondContact ND1-OD2 3.02Å; H112-L395 HydrophobicContact CB-CD1 3.98Å; H112-V506 HydrophobicContact CB-CG1 3.63Å; H112-F508 AromaticContact CD2-CD1 3.76Å; H112-F508 AromaticContact CD2-CD2 3.79Å; H112-F508 AromaticContact CD2-CE1 3.87Å; H112-F508 AromaticContact CD2-CE2 3.91Å; H112-F508 AromaticContact CD2-CG 3.71Å; H112-F508 AromaticContact CD2-CZ 3.95Å
113	S	96	Very high	97.7	Very high	40 Å²	40	21.2 Å²	21.2	28%	0.28	10%	0.099	S	C	.	.	S	Bend	trans	57.6	-151.4	168.6	-160.2	0	0	0	0	114.4	I91	I91-S113 WeakPolarHBondContact CD1-O 3.21Å
114	I	97.6	Very high	97.6	Very high	53 Å²	53	19.4 Å²	19.4	27%	0.272	9%	0.094	S	C	.	.			trans	-113.3	164.8	176.4	59.6	173.2	0	0	0	110.9	I91 R116 Q119	I91-I114 HydrophobicContact CB-CG2 4.21Å; I91-I114 HydrophobicContact CD1-CG2 4.05Å; I114-R116 PolarHBondContact O-N 3.07Å; I114-Q119 PolarHBondContact O-OE1 2.82Å
115	I	98.3	Very high	97.5	Very high	9 Å²	9	23.1 Å²	23.1	5%	0.046	11%	0.113	C	C	.	.			trans	-79.7	111.3	169.5	-66.7	158.4	0	0	0	108.4	T93 L110 N121 H148	T93-I115 HydrophobicContact CG2-CB 4.31Å; T93-I115 HydrophobicContact CG2-CD1 3.74Å; T93-I115 HydrophobicContact CG2-CG1 3.91Å; T93-I115 PolarHBondContact OG1-N 2.83Å; L110-I115 HydrophobicContact CD1-CD1 4.26Å; L110-I115 HydrophobicContact CD2-CD1 4.01Å; L110-I115 HydrophobicContact CD2-CG1 4.21Å; I115-N121 HydrophobicContact CG1-CB 4.42Å; I115-N121 HydrophobicContact CG2-CB 4.36Å; I115-H148 PolarHBondContact O-NE2 3.17Å
116	R	96.8	Very high	97.2	Very high	110 Å²	110	29.6 Å²	29.6	42%	0.415	15%	0.148	S	C	.	.			trans	-73.9	155.9	176.4	-62.3	-175.2	175.9	-142	3.4	111.9	I114 R118 Q119	I114-R116 PolarHBondContact O-N 3.07Å; R116-R118 VanDerWaalsContact C-N 3.25Å; R116-R118 PolarHBondContact O-N 2.91Å; R116-R118 VanDerWaalsContact O-N 3.13Å; R116-Q119 HydrophobicContact CB-CG 4.06Å; R116-Q119 PolarHBondContact O-N 2.8Å; R116-Q119 VanDerWaalsContact O-N 3.07Å
117	P	97.3	Very high	97	Very high	14 Å²	14	30.7 Å²	30.7	9%	0.091	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-34.6	-177.3	-28.8	37.3	0	0	0	115.2	F151 T171 D183 W524 W527	P117-F151 HydrophobicContact CB-CZ 4.24Å; P117-F151 VanDerWaalsContact O-CZ 3.28Å; P117-F151 WeakPolarHBondContact O-CZ 3.37Å; P117-T171 HydrophobicContact CB-CG2 4.11Å; P117-T171 HydrophobicContact CG-CG2 4.01Å; P117-D183 HydrophobicContact CB-CB 4.38Å; P117-D183 HydrophobicContact CG-CB 4.15Å; P117-W524 HydrophobicContact CB-CD2 3.99Å; P117-W524 HydrophobicContact CB-CE3 3.62Å; P117-W524 HydrophobicContact CB-CH2 3.61Å; P117-W524 HydrophobicContact CB-CZ2 3.96Å; P117-W524 HydrophobicContact CB-CZ3 3.42Å; P117-W524 VanDerWaalsContact CB-CZ3 3.42Å; P117-W527 WeakPolarHBondContact O-CH2 3.36Å; P117-W527 WeakPolarHBondContact O-CZ3 3.18Å
118	R	96.8	Very high	96.8	Very high	48 Å²	48	31.5 Å²	31.5	18%	0.181	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-3.2	179.7	-64.9	-175.3	-78.8	119.2	22.6	115.8	R116 D183 D511 D512 A515 W524 W527	R116-R118 VanDerWaalsContact C-N 3.25Å; R116-R118 PolarHBondContact O-N 2.91Å; R116-R118 VanDerWaalsContact O-N 3.13Å; R118-D183 IonicContact CZ-OD2 2.76Å; R118-D183 IonicContact NE-OD2 3.57Å; R118-D183 PolarHBondContact NE-OD2 2.65Å; R118-D183 IonicContact NH2-OD2 3.45Å; R118-D183 PolarHBondContact NH2-OD2 2.84Å; R118-D511 HydrophobicContact CB-CB 3.79Å; R118-D511 VanDerWaalsContact CZ-CG 3.44Å; R118-D511 IonicContact CZ-OD2 3.44Å; R118-D511 VanDerWaalsContact NH1-CG 3.3Å; R118-D511 IonicContact NH1-OD2 3.78Å; R118-D511 PolarHBondContact NH1-OD2 3.43Å; R118-D511 VanDerWaalsContact NH2-CG 3.25Å; R118-D511 IonicContact NH2-OD1 3.49Å; R118-D511 IonicContact NH2-OD2 3.93Å; R118-D511 PolarHBondContact NH2-OD2 2.79Å; R118-D512 PolarHBondContact O-N 2.97Å; R118-A515 HydrophobicContact CB-CB 3.91Å; R118-A515 HydrophobicContact CG-CB 3.82Å; R118-W524 HydrophobicContact CG-CH2 3.89Å; R118-W524 HydrophobicContact CG-CZ3 3.79Å; R118-W527 WeakPolarHBondContact O-CZ2 3.44Å
119	Q	97.1	Very high	96.8	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.019	16%	0.16	C	C	.	.			trans	-77	128.7	-178.7	-77.6	179.6	-54.6	0	0	110.5	I114 R116 N121 F508 P509 D511	I114-Q119 PolarHBondContact O-OE1 2.82Å; R116-Q119 HydrophobicContact CB-CG 4.06Å; R116-Q119 PolarHBondContact O-N 2.8Å; R116-Q119 VanDerWaalsContact O-N 3.07Å; Q119-N121 HydrophobicContact CB-CB 4.27Å; Q119-N121 PolarHBondContact O-N 2.66Å; Q119-F508 VanDerWaalsContact NE2-CZ 3.29Å; Q119-P509 HydrophobicContact CB-CG 4.37Å; Q119-P509 PolarHBondContact NE2-O 3.04Å; Q119-D511 WeakPolarHBondContact CG-OD1 3.29Å
120	P	97.3	Very high	96.9	Very high	14 Å²	14	31.4 Å²	31.4	9%	0.091	16%	0.16	C	C	.	.	S	Bend	trans	-75.4	65.8	174.4	32.2	-34.9	0	0	0	110.1	Y152 P509 T510 D512 W527	P120-Y152 HydrophobicContact CB-CD2 3.7Å; P120-Y152 HydrophobicContact CB-CE2 4.02Å; P120-Y152 HydrophobicContact CB-CG 4.24Å; P120-P509 HydrophobicContact CG-CB 4.17Å; P120-P509 HydrophobicContact CG-CG 4.14Å; P120-T510 VanDerWaalsContact CD-O 3.23Å; P120-T510 WeakPolarHBondContact CD-O 3.39Å; P120-D512 HydrophobicContact CG-CB 4.37Å; P120-W527 HydrophobicContact CB-CZ2 4.24Å
121	N	97.6	Very high	96.9	Very high	4 Å²	4	31 Å²	31	2%	0.021	16%	0.158	C	C	.	.			trans	-142.9	147.7	-172.5	-163.4	11.4	0	0	0	110.4	I115 Q119 G150 Y152 R507 P509	I115-N121 HydrophobicContact CG1-CB 4.42Å; I115-N121 HydrophobicContact CG2-CB 4.36Å; Q119-N121 HydrophobicContact CB-CB 4.27Å; Q119-N121 PolarHBondContact O-N 2.66Å; N121-G150 WeakPolarHBondContact O-CA 3.43Å; N121-Y152 WeakPolarHBondContact O-CD1 3.35Å; N121-R507 PolarHBondContact ND2-O 3.39Å; N121-R507 VanDerWaalsContact OD1-CZ 3.22Å; N121-R507 PolarHBondContact OD1-NH1 2.83Å; N121-R507 PolarHBondContact OD1-NH2 2.99Å; N121-P509 HydrophobicContact CB-CG 3.89Å
122	C	98.1	Very high	96.9	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.014	17%	0.169	C	C	.	.			trans	-157	172.4	168.2	74.2	0	0	0	0	110.9	L149 Y152 C156 R507	C122-L149 CarbonylContact C-O 3.56Å; C122-L149 WeakPolarHBondContact CA-O 3.49Å; C122-L149 VanDerWaalsContact CB-O 3.24Å; C122-L149 WeakPolarHBondContact CB-O 3.33Å; C122-Y152 HydrophobicContact CB-CD1 4.26Å; C122-Y152 HydrophobicContact CB-CE1 4.2Å; C122-C156 HydrophobicContact CB-CB 3.4Å; C122-C156 WeakPolarHBondContact CB-SG 3.42Å; C122-C156 WeakPolarHBondContact SG-CB 3.23Å; C122-C156 CovalentContact SG-SG 2.04Å; C122-C156 PolarHBondContact SG-SG 2.91Å; C122-R507 PolarHBondContact O-NH1 2.84Å; C122-R507 PolarHBondContact O-NH2 3.48Å; C122-R507 VanDerWaalsContact O-NH2 3.1Å
123	L	97.3	Very high	96.8	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	16%	0.164	C	C	.	.	S	Bend	trans	-47.6	128.2	169.5	-176.7	74.8	0	0	0	109.8	I100 T101 L110 L125 T129 L149 R161	I100-L123 HydrophobicContact CG2-CD2 3.85Å; T101-L123 HydrophobicContact CG2-CD1 3.63Å; T101-L123 HydrophobicContact CG2-CD2 3.77Å; T101-L123 HydrophobicContact CG2-CG 4.07Å; L110-L123 HydrophobicContact CD1-CD1 4.37Å; L123-L125 PolarHBondContact O-N 3.35Å; L123-T129 HydrophobicContact CD2-CG2 4.11Å; L123-L149 HydrophobicContact CB-CB 4.29Å; L123-L149 HydrophobicContact CD2-CD1 4.28Å; L123-L149 PolarHBondContact N-O 3.25Å; L123-R161 PolarHBondContact O-NH1 3.08Å
124	P	96.4	Very high	97	Very high	12 Å²	12	30.7 Å²	30.7	8%	0.078	15%	0.151	C	C	.	.			trans	-50.4	134	-174.2	-25.3	31.7	0	0	0	112.7	T108 D126 M127 R161	T108-P124 WeakPolarHBondContact O-CG 3.16Å; P124-D126 VanDerWaalsContact C-N 3.28Å; P124-D126 WeakPolarHBondContact CB-OD1 3.47Å; P124-D126 PolarHBondContact O-N 3.32Å; P124-M127 HydrophobicContact CB-CE 4.33Å; P124-M127 HydrophobicContact CB-CG 4.1Å; P124-M127 HydrophobicContact CB-SD 4.05Å; P124-M127 HydrophobicContact CG-CE 4.14Å; P124-M127 HydrophobicContact CG-SD 3.94Å; P124-M127 PolarHBondContact O-N 2.82Å; P124-R161 PolarHBondContact O-NH1 2.93Å; P124-R161 PolarHBondContact O-NH2 3.37Å
125	L	95.6	Very high	96.9	Very high	80 Å²	80	31.3 Å²	31.3	42%	0.419	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-22.5	-172.9	-59.8	-176.8	0	0	0	112.5	L123 M127 E155	L123-L125 PolarHBondContact O-N 3.35Å; L125-M127 PolarHBondContact O-N 2.82Å; L125-E155 HydrophobicContact CD1-CB 3.88Å; L125-E155 HydrophobicContact CD2-CB 3.94Å
126	D	93.1	Very high	96.8	Very high	139 Å²	139	36.4 Å²	36.4	74%	0.743	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	4	175.5	59.1	-34.2	0	0	0	114.1	P124	P124-D126 VanDerWaalsContact C-N 3.28Å; P124-D126 WeakPolarHBondContact CB-OD1 3.47Å; P124-D126 PolarHBondContact O-N 3.32Å
127	M	92.9	Very high	96.7	Very high	23 Å²	23	32.6 Å²	32.6	11%	0.113	17%	0.168	C	C	.	.	S	Bend	trans	-108.1	111.2	178.8	-65.9	-175.1	174.4	0	0	112.3	T101 H107 T108 P124 L125 T129 R161	T101-M127 HydrophobicContact CG2-CB 4.15Å; T101-M127 HydrophobicContact CG2-SD 4.22Å; H107-M127 VanDerWaalsContact O-CE 3.28Å; H107-M127 WeakPolarHBondContact O-CE 3.3Å; T108-M127 HydrophobicContact CG2-CE 4.14Å; T108-M127 HydrophobicContact CG2-SD 3.78Å; P124-M127 HydrophobicContact CB-CE 4.33Å; P124-M127 HydrophobicContact CB-CG 4.1Å; P124-M127 HydrophobicContact CB-SD 4.05Å; P124-M127 HydrophobicContact CG-CE 4.14Å; P124-M127 HydrophobicContact CG-SD 3.94Å; P124-M127 PolarHBondContact O-N 2.82Å; L125-M127 PolarHBondContact O-N 2.82Å; M127-T129 PolarHBondContact O-N 3.15Å; M127-R161 PolarHBondContact O-NH2 3.1Å
128	T	95.3	Very high	96.7	Very high	47 Å²	47	33.6 Å²	33.6	29%	0.288	18%	0.181	S	C	.	.			trans	-61.3	119.2	172.2	-43.7	0	0	0	0	110.6	Q132 R133 Y351	T128-Q132 HydrophobicContact CG2-CB 3.91Å; T128-R133 HydrophobicContact CG2-CG 4.13Å; T128-Y351 WeakPolarHBondContact O-CE2 3.2Å; T128-Y351 PolarHBondContact O-OH 2.97Å
129	T	97.9	Very high	96.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.173	C	C	.	.			trans	-81.9	160.6	-175.4	67.7	0	0	0	0	112.6	I100 L123 M127 P131 Q132 R133 R161	I100-T129 HydrophobicContact CG2-CG2 3.73Å; I100-T129 CarbonylContact O-C 3.5Å; I100-T129 VanDerWaalsContact O-CA 3.3Å; I100-T129 WeakPolarHBondContact O-CA 3.39Å; L123-T129 HydrophobicContact CD2-CG2 4.11Å; M127-T129 PolarHBondContact O-N 3.15Å; T129-P131 WeakPolarHBondContact OG1-CG 2.92Å; T129-Q132 WeakPolarHBondContact O-CB 3.36Å; T129-Q132 PolarHBondContact O-N 2.88Å; T129-Q132 VanDerWaalsContact O-N 3.13Å; T129-Q132 VanDerWaalsContact OG1-CG 3.31Å; T129-Q132 WeakPolarHBondContact OG1-CG 3.33Å; T129-Q132 PolarHBondContact OG1-N 2.93Å; T129-Q132 PolarHBondContact OG1-OE1 3.35Å; T129-R133 PolarHBondContact O-N 3.1Å; T129-R161 HydrophobicContact CG2-CB 4.25Å; T129-R161 PolarHBondContact OG1-O 3.28Å
130	L	98.7	Very high	96.9	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-49.9	-54.2	171.1	168.7	60	0	0	0	112	I100 Q132 R133 L134 F230 Y351 L354 V355	I100-L130 PolarHBondContact O-N 2.72Å; L130-Q132 VanDerWaalsContact C-N 3.32Å; L130-Q132 PolarHBondContact O-N 2.77Å; L130-R133 PolarHBondContact O-N 3.28Å; L130-R133 VanDerWaalsContact O-N 3.14Å; L130-L134 HydrophobicContact CD1-CD1 3.77Å; L130-L134 HydrophobicContact CD1-CG 3.96Å; L130-L134 HydrophobicContact CG-CD1 4.02Å; L130-L134 WeakPolarHBondContact O-CG 3.44Å; L130-L134 PolarHBondContact O-N 3.28Å; L130-F230 HydrophobicContact CD2-CZ 4.13Å; L130-Y351 HydrophobicContact CB-CD2 3.66Å; L130-Y351 HydrophobicContact CB-CE2 4.06Å; L130-Y351 HydrophobicContact CB-CG 4.31Å; L130-L354 HydrophobicContact CD1-CB 3.99Å; L130-L354 HydrophobicContact CD2-CD1 3.9Å; L130-V355 HydrophobicContact CD1-CG2 3.8Å
131	P	98.6	Very high	96.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.4	-33.4	177.1	22.9	-34.8	0	0	0	113.6	T129 L134 Q135 T141 R161 F163 F230	T129-P131 WeakPolarHBondContact OG1-CG 2.92Å; P131-L134 PolarHBondContact O-N 3.33Å; P131-Q135 WeakPolarHBondContact O-CG 3.46Å; P131-Q135 PolarHBondContact O-N 2.74Å; P131-T141 HydrophobicContact CB-CG2 4.34Å; P131-R161 WeakPolarHBondContact CG-O 3.28Å; P131-F163 HydrophobicContact CB-CD1 3.99Å; P131-F163 HydrophobicContact CB-CD2 4.41Å; P131-F163 HydrophobicContact CB-CE1 3.79Å; P131-F163 HydrophobicContact CB-CE2 4.23Å; P131-F163 HydrophobicContact CB-CG 4.32Å; P131-F163 HydrophobicContact CB-CZ 3.92Å; P131-F163 HydrophobicContact CG-CD1 4.47Å; P131-F163 HydrophobicContact CG-CD2 4.11Å; P131-F163 HydrophobicContact CG-CE1 4.07Å; P131-F163 HydrophobicContact CG-CE2 3.68Å; P131-F163 HydrophobicContact CG-CZ 3.66Å; P131-F230 HydrophobicContact CB-CD1 4.17Å; P131-F230 HydrophobicContact CB-CE1 4.01Å
132	Q	97.8	Very high	97	Very high	57 Å²	57	31.7 Å²	31.7	27%	0.266	17%	0.174	S	C	.	.	H	α-helix	trans	-61.1	-45.2	171.5	-73.6	173.8	-66.1	0	0	111.6	T128 T129 L130 L134 Q135 E136	T128-Q132 HydrophobicContact CG2-CB 3.91Å; T129-Q132 WeakPolarHBondContact O-CB 3.36Å; T129-Q132 PolarHBondContact O-N 2.88Å; T129-Q132 VanDerWaalsContact O-N 3.13Å; T129-Q132 VanDerWaalsContact OG1-CG 3.31Å; T129-Q132 WeakPolarHBondContact OG1-CG 3.33Å; T129-Q132 PolarHBondContact OG1-N 2.93Å; T129-Q132 PolarHBondContact OG1-OE1 3.35Å; L130-Q132 VanDerWaalsContact C-N 3.32Å; L130-Q132 PolarHBondContact O-N 2.77Å; Q132-L134 VanDerWaalsContact C-N 3.27Å; Q132-L134 PolarHBondContact O-N 3.09Å; Q132-Q135 WeakPolarHBondContact O-CB 3.33Å; Q132-Q135 PolarHBondContact O-N 2.84Å; Q132-Q135 VanDerWaalsContact O-N 3.16Å; Q132-E136 WeakPolarHBondContact O-CG 3.47Å; Q132-E136 PolarHBondContact O-N 2.6Å
133	R	97.4	Very high	97	Very high	27 Å²	27	31.6 Å²	31.6	10%	0.102	17%	0.173	C	C	.	.	H	α-helix	trans	-63.5	-30.6	174.4	-66.1	-53.2	-164.7	-175.7	-1.2	113.8	T128 T129 L130 E136 A137 Y351 V355 L364 T365	T128-R133 HydrophobicContact CG2-CG 4.13Å; T129-R133 PolarHBondContact O-N 3.1Å; L130-R133 PolarHBondContact O-N 3.28Å; L130-R133 VanDerWaalsContact O-N 3.14Å; R133-E136 WeakPolarHBondContact CD-OE2 3.16Å; R133-E136 IonicContact CZ-OE2 2.71Å; R133-E136 IonicContact NE-OE2 3.6Å; R133-E136 IonicContact NH1-OE1 3.17Å; R133-E136 PolarHBondContact NH1-OE1 3.47Å; R133-E136 IonicContact NH1-OE2 3.37Å; R133-E136 PolarHBondContact NH1-OE2 3.2Å; R133-A137 PolarHBondContact O-N 2.65Å; R133-A137 VanDerWaalsContact O-N 3.09Å; R133-Y351 HydrophobicContact CG-CE1 4.2Å; R133-Y351 VanDerWaalsContact CG-OH 3.27Å; R133-Y351 WeakPolarHBondContact CG-OH 3.45Å; R133-V355 HydrophobicContact CB-CG1 4.46Å; R133-V355 HydrophobicContact CB-CG2 3.58Å; R133-V355 HydrophobicContact CG-CG2 4.22Å; R133-L364 PolarHBondContact NH2-O 3.15Å; R133-T365 PolarHBondContact NE-OG1 3.09Å; R133-T365 PolarHBondContact NH2-OG1 2.95Å
134	L	98.3	Very high	97.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-74.8	-35.3	174.4	-65.3	174.1	0	0	0	111.4	I48 L130 P131 Q132 A137 G138 Y139 T141 F230 A358	I48-L134 HydrophobicContact CD1-CD2 4.16Å; L130-L134 HydrophobicContact CD1-CD1 3.77Å; L130-L134 HydrophobicContact CD1-CG 3.96Å; L130-L134 HydrophobicContact CG-CD1 4.02Å; L130-L134 WeakPolarHBondContact O-CG 3.44Å; L130-L134 PolarHBondContact O-N 3.28Å; P131-L134 PolarHBondContact O-N 3.33Å; Q132-L134 VanDerWaalsContact C-N 3.27Å; Q132-L134 PolarHBondContact O-N 3.09Å; L134-A137 CarbonylContact O-C 3.54Å; L134-A137 WeakPolarHBondContact O-CA 3.48Å; L134-A137 PolarHBondContact O-N 2.83Å; L134-G138 PolarHBondContact O-N 3.25Å; L134-Y139 HydrophobicContact CB-CG 4.21Å; L134-Y139 HydrophobicContact CD2-CD2 4.49Å; L134-Y139 VanDerWaalsContact O-CB 3.29Å; L134-Y139 WeakPolarHBondContact O-CB 3.45Å; L134-Y139 PolarHBondContact O-N 3.23Å; L134-T141 HydrophobicContact CB-CG2 4.17Å; L134-F230 HydrophobicContact CD1-CB 3.91Å; L134-F230 HydrophobicContact CD1-CD1 3.52Å; L134-F230 HydrophobicContact CD1-CD2 3.95Å; L134-F230 HydrophobicContact CD1-CE1 3.94Å; L134-F230 HydrophobicContact CD1-CE2 4.34Å; L134-F230 HydrophobicContact CD1-CG 3.52Å; L134-F230 HydrophobicContact CD1-CZ 4.33Å; L134-A358 HydrophobicContact CD2-CB 3.44Å; L134-A358 VanDerWaalsContact CD2-CB 3.44Å
135	Q	96.5	Very high	97.2	Very high	66 Å²	66	31 Å²	31	31%	0.308	17%	0.17	S	C	.	.	H	α-helix	trans	-62.1	-42.9	169	-67.8	-177.8	-60.3	0	0	111.8	P131 Q132 A137 G138 T141 G162 H164	P131-Q135 WeakPolarHBondContact O-CG 3.46Å; P131-Q135 PolarHBondContact O-N 2.74Å; Q132-Q135 WeakPolarHBondContact O-CB 3.33Å; Q132-Q135 PolarHBondContact O-N 2.84Å; Q132-Q135 VanDerWaalsContact O-N 3.16Å; Q135-A137 PolarHBondContact O-N 2.87Å; Q135-G138 WeakPolarHBondContact O-CA 3.28Å; Q135-G138 PolarHBondContact O-N 3.4Å; Q135-T141 HydrophobicContact CG-CG2 3.76Å; Q135-T141 WeakPolarHBondContact CG-OG1 3.42Å; Q135-G162 WeakPolarHBondContact CG-O 3.26Å; Q135-G162 PolarHBondContact NE2-O 3.38Å; Q135-G162 VanDerWaalsContact OE1-CA 3.26Å; Q135-G162 PolarHBondContact OE1-O 3.29Å; Q135-H164 PolarHBondContact NE2-CE1 2.9Å; Q135-H164 PolarHBondContact NE2-ND1 2.97Å; Q135-H164 PolarHBondContact NE2-NE2 2.59Å
136	E	95.5	Very high	97.4	Very high	116 Å²	116	27.2 Å²	27.2	54%	0.542	15%	0.15	S	C	.	.	H	α-helix	trans	-58.9	-34.2	172.7	-69.1	167	-157.4	0	0	112	Q132 R133 G138	Q132-E136 WeakPolarHBondContact O-CG 3.47Å; Q132-E136 PolarHBondContact O-N 2.6Å; R133-E136 WeakPolarHBondContact CD-OE2 3.16Å; R133-E136 IonicContact CZ-OE2 2.71Å; R133-E136 IonicContact NE-OE2 3.6Å; R133-E136 IonicContact NH1-OE1 3.17Å; R133-E136 PolarHBondContact NH1-OE1 3.47Å; R133-E136 IonicContact NH1-OE2 3.37Å; R133-E136 PolarHBondContact NH1-OE2 3.2Å; E136-G138 VanDerWaalsContact C-N 3.26Å; E136-G138 PolarHBondContact O-N 2.96Å
137	A	96.1	Very high	97.6	Very high	29 Å²	29	20.8 Å²	20.8	24%	0.24	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	14.6	172	0	0	0	0	0	114.1	R133 L134 Q135 Y139 A358	R133-A137 PolarHBondContact O-N 2.65Å; R133-A137 VanDerWaalsContact O-N 3.09Å; L134-A137 CarbonylContact O-C 3.54Å; L134-A137 WeakPolarHBondContact O-CA 3.48Å; L134-A137 PolarHBondContact O-N 2.83Å; Q135-A137 PolarHBondContact O-N 2.87Å; A137-Y139 HydrophobicContact CB-CD2 4.3Å; A137-A358 HydrophobicContact CB-CB 3.94Å
138	G	96.5	Very high	97.9	Very high	36 Å²	36	20 Å²	20	37%	0.371	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	81	8.4	173.4	0	0	0	0	0	116.6	L134 Q135 E136 Q227	L134-G138 PolarHBondContact O-N 3.25Å; Q135-G138 WeakPolarHBondContact O-CA 3.28Å; Q135-G138 PolarHBondContact O-N 3.4Å; E136-G138 VanDerWaalsContact C-N 3.26Å; E136-G138 PolarHBondContact O-N 2.96Å; G138-Q227 WeakPolarHBondContact O-CG 3.45Å; G138-Q227 PolarHBondContact O-NE2 2.84Å
139	Y	98.4	Very high	98.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.097	C	C	.	.			trans	-75.4	141.3	-178.7	-78.2	-123.7	0	0	0	113.1	P45 P46 I48 L134 A137 H164 P228 F230 A358	P45-Y139 HydrophobicContact CB-CE2 3.81Å; P45-Y139 WeakPolarHBondContact CB-OH 3.42Å; P46-Y139 VanDerWaalsContact O-CE1 3.24Å; P46-Y139 WeakPolarHBondContact O-CE1 3.45Å; P46-Y139 PolarHBondContact O-OH 2.79Å; I48-Y139 HydrophobicContact CD1-CE1 3.77Å; I48-Y139 HydrophobicContact CG1-CE1 4.05Å; L134-Y139 HydrophobicContact CB-CG 4.21Å; L134-Y139 HydrophobicContact CD2-CD2 4.49Å; L134-Y139 VanDerWaalsContact O-CB 3.29Å; L134-Y139 WeakPolarHBondContact O-CB 3.45Å; L134-Y139 PolarHBondContact O-N 3.23Å; A137-Y139 HydrophobicContact CB-CD2 4.3Å; Y139-H164 PolarHBondContact O-CE1 2.93Å; Y139-P228 WeakPolarHBondContact CA-O 3.21Å; Y139-P228 HydrophobicContact CD1-CB 3.98Å; Y139-P228 HydrophobicContact CD1-CG 4.35Å; Y139-P228 HydrophobicContact CD2-CB 4.05Å; Y139-P228 HydrophobicContact CD2-CG 3.61Å; Y139-P228 HydrophobicContact CE1-CB 3.77Å; Y139-P228 HydrophobicContact CE1-CG 4.41Å; Y139-P228 HydrophobicContact CE2-CB 3.82Å; Y139-P228 HydrophobicContact CE2-CG 3.66Å; Y139-P228 HydrophobicContact CG-CB 4.1Å; Y139-P228 HydrophobicContact CG-CG 3.95Å; Y139-F230 HydrophobicContact CD1-CB 4.05Å; Y139-A358 HydrophobicContact CD2-CB 4.11Å; Y139-A358 HydrophobicContact CE2-CB 3.33Å
140	A	98.6	Very high	98.1	Very high	6 Å²	6	17.9 Å²	17.9	5%	0.05	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	128	157.3	0	0	0	0	0	109.1	H222 P228 L229 F230	A140-H222 WeakPolarHBondContact CB-CE1 3.21Å; A140-P228 PolarHBondContact N-O 3.1Å; A140-L229 CarbonylContact O-C 3.51Å; A140-L229 WeakPolarHBondContact O-CA 3.49Å; A140-F230 PolarHBondContact O-N 3.39Å
141	T	98.9	Very high	98.1	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	117.3	-169.3	52.5	0	0	0	0	111.2	P131 L134 Q135 G162 F163 H164 S165 F230	P131-T141 HydrophobicContact CB-CG2 4.34Å; L134-T141 HydrophobicContact CB-CG2 4.17Å; Q135-T141 HydrophobicContact CG-CG2 3.76Å; Q135-T141 WeakPolarHBondContact CG-OG1 3.42Å; T141-G162 WeakPolarHBondContact CB-O 3.5Å; T141-G162 PolarHBondContact OG1-O 3.22Å; T141-F163 CarbonylContact O-C 3.57Å; T141-H164 PolarHBondContact N-ND1 3.27Å; T141-H164 WeakPolarHBondContact O-CB 3.22Å; T141-H164 PolarHBondContact O-N 3.06Å; T141-H164 PolarHBondContact OG1-N 2.82Å; T141-H164 VanDerWaalsContact OG1-N 3.07Å; T141-H164 PolarHBondContact OG1-ND1 2.96Å; T141-S165 PolarHBondContact O-N 3.25Å; T141-F230 HydrophobicContact CG2-CB 4.25Å; T141-F230 HydrophobicContact CG2-CD1 4.24Å
142	H	98.9	Very high	98.1	Very high	23 Å²	23	19.8 Å²	19.8	11%	0.106	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	131.5	-174	-54.1	-86.9	0	0	0	110.9	S165 I218 F230 M231 F232	H142-S165 PolarHBondContact ND1-OG 2.91Å; H142-I218 HydrophobicContact CB-CD1 4.13Å; H142-F230 PolarHBondContact N-O 3.02Å; H142-M231 HydrophobicContact CB-CE 3.72Å; H142-M231 HydrophobicContact CB-SD 4Å; H142-F232 PolarHBondContact O-N 3.04Å
143	M	98.9	Very high	98	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	134.3	171.3	178.3	170.2	-174.8	0	0	110.8	K146 W147 P158 F163 S165 Y166 F167 F232	M143-K146 WeakPolarHBondContact CE-O 3.4Å; M143-W147 HydrophobicContact CE-CB 4.22Å; M143-W147 HydrophobicContact CE-CE3 3.97Å; M143-W147 HydrophobicContact SD-CE3 3.67Å; M143-W147 HydrophobicContact SD-CZ3 4.17Å; M143-P158 HydrophobicContact SD-CB 4.17Å; M143-P158 HydrophobicContact SD-CG 4.25Å; M143-F163 HydrophobicContact CB-CB 4.28Å; M143-F163 HydrophobicContact CB-CD1 3.64Å; M143-F163 HydrophobicContact CB-CD2 3.82Å; M143-F163 HydrophobicContact CB-CE1 3.78Å; M143-F163 HydrophobicContact CB-CE2 3.94Å; M143-F163 HydrophobicContact CB-CG 3.65Å; M143-F163 HydrophobicContact CB-CZ 3.92Å; M143-F163 HydrophobicContact CG-CE2 4.38Å; M143-F163 HydrophobicContact CG-CZ 4.44Å; M143-F163 HydrophobicContact SD-CD2 4.16Å; M143-F163 HydrophobicContact SD-CE2 3.76Å; M143-F163 HydrophobicContact SD-CZ 4.22Å; M143-S165 PolarHBondContact N-O 3.05Å; M143-Y166 HydrophobicContact CB-CD2 4.02Å; M143-Y166 HydrophobicContact CE-CE2 4.33Å; M143-Y166 HydrophobicContact CG-CD2 3.85Å; M143-Y166 HydrophobicContact CG-CE2 4.06Å; M143-Y166 WeakPolarHBondContact O-CA 3.2Å; M143-Y166 HydrophobicContact SD-CD2 4.16Å; M143-Y166 HydrophobicContact SD-CE2 4.09Å; M143-F167 PolarHBondContact O-N 3.39Å; M143-F167 VanDerWaalsContact O-N 3.08Å; M143-F232 WeakPolarHBondContact CA-O 3.37Å; M143-F232 HydrophobicContact CB-CD1 4.48Å; M143-F232 HydrophobicContact CE-CD1 3.75Å; M143-F232 HydrophobicContact CE-CE1 3.57Å; M143-F232 HydrophobicContact CG-CD1 3.83Å; M143-F232 HydrophobicContact SD-CD1 3.7Å; M143-F232 HydrophobicContact SD-CE1 4Å
144	V	98.9	Very high	98	Very high	1 Å²	1	23 Å²	23	1%	0.006	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	124.3	174.4	-173.7	0	0	0	0	109.6	F167 Y211 R214 V215 I218 M231 F232 L233 S234	V144-F167 CarbonylContact C-O 3.48Å; V144-F167 VanDerWaalsContact CA-O 3.32Å; V144-F167 WeakPolarHBondContact CA-O 3.26Å; V144-F167 HydrophobicContact CG1-CD1 4.38Å; V144-Y211 HydrophobicContact CG1-CD1 3.84Å; V144-Y211 HydrophobicContact CG1-CG 3.97Å; V144-R214 HydrophobicContact CG1-CB 3.99Å; V144-R214 HydrophobicContact CG1-CG 3.99Å; V144-R214 HydrophobicContact CG2-CB 4.38Å; V144-R214 HydrophobicContact CG2-CG 3.67Å; V144-V215 HydrophobicContact CB-CG2 4.05Å; V144-V215 HydrophobicContact CG1-CG2 4.29Å; V144-V215 HydrophobicContact CG2-CG2 3.84Å; V144-I218 HydrophobicContact CG2-CD1 4.17Å; V144-M231 HydrophobicContact CG2-SD 4.01Å; V144-F232 PolarHBondContact N-O 3.07Å; V144-L233 HydrophobicContact CB-CD1 4.07Å; V144-L233 HydrophobicContact CG1-CD1 4.19Å; V144-S234 PolarHBondContact O-N 3.09Å
145	G	98.8	Very high	98	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	100.2	-150.2	178.6	0	0	0	0	0	114.9	W147 Y166 F167 G168 S234	G145-W147 PolarHBondContact O-N 3.44Å; G145-Y166 WeakPolarHBondContact O-CE2 3.28Å; G145-Y166 PolarHBondContact O-OH 2.81Å; G145-F167 PolarHBondContact N-O 3.44Å; G145-G168 WeakPolarHBondContact O-CA 3.45Å; G145-S234 CarbonylContact C-O 3.38Å; G145-S234 VanDerWaalsContact CA-O 3.24Å; G145-S234 WeakPolarHBondContact CA-O 3.45Å
146	K	98.9	Very high	98.1	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.119	C	C	.	.			trans	-70.2	120.6	-162.8	175	179.2	171.5	176.6	0	113.8	D54 R96 M143 H148 S169 G172 S234	D54-K146 IonicContact OD1-NZ 3.74Å; D54-K146 PolarHBondContact OD1-NZ 3.36Å; D54-K146 WeakPolarHBondContact OD2-CD 3.31Å; D54-K146 WeakPolarHBondContact OD2-CE 3.19Å; D54-K146 IonicContact OD2-NZ 3.72Å; D54-K146 PolarHBondContact OD2-NZ 2.89Å; R96-K146 PolarHBondContact NH1-O 3.02Å; R96-K146 VanDerWaalsContact NH1-O 3.09Å; M143-K146 WeakPolarHBondContact CE-O 3.4Å; K146-H148 HydrophobicContact CG-CB 4.09Å; K146-S169 WeakPolarHBondContact CA-O 3.38Å; K146-G172 WeakPolarHBondContact CE-O 3.48Å; K146-G172 PolarHBondContact NZ-O 2.69Å; K146-S234 PolarHBondContact N-O 3.46Å; K146-S234 WeakPolarHBondContact O-CB 3.37Å; K146-S234 PolarHBondContact O-OG 3.45Å
147	W	98.8	Very high	98.2	Very high	3 Å²	3	17.9 Å²	17.9	1%	0.011	10%	0.095	C	C	.	.			trans	-82.3	-71	174.3	179.6	-131.8	0	0	0	112.5	I100 M143 G145 L149 G150 C156 P158 R161 F163 S169 L170	I100-W147 HydrophobicContact CG1-CZ3 4.45Å; I100-W147 HydrophobicContact CG2-CH2 4.46Å; M143-W147 HydrophobicContact CE-CB 4.22Å; M143-W147 HydrophobicContact CE-CE3 3.97Å; M143-W147 HydrophobicContact SD-CE3 3.67Å; M143-W147 HydrophobicContact SD-CZ3 4.17Å; G145-W147 PolarHBondContact O-N 3.44Å; W147-L149 HydrophobicContact CD2-CB 4.01Å; W147-L149 HydrophobicContact CD2-CG 4.35Å; W147-L149 HydrophobicContact CE3-CB 4.42Å; W147-L149 HydrophobicContact CE3-CD1 4.17Å; W147-L149 HydrophobicContact CE3-CG 4.32Å; W147-L149 HydrophobicContact CH2-CB 4.35Å; W147-L149 HydrophobicContact CH2-CD1 3.87Å; W147-L149 HydrophobicContact CZ2-CB 3.9Å; W147-L149 HydrophobicContact CZ2-CD1 4.28Å; W147-L149 HydrophobicContact CZ3-CD1 3.8Å; W147-L149 HydrophobicContact CZ3-CG 4.43Å; W147-L149 PolarHBondContact O-N 3.3Å; W147-G150 PolarHBondContact NE1-O 2.82Å; W147-G150 VanDerWaalsContact NE1-O 3.13Å; W147-C156 WeakPolarHBondContact CZ2-O 3.35Å; W147-C156 PolarHBondContact NE1-O 3.37Å; W147-P158 HydrophobicContact CB-CG 4.06Å; W147-P158 HydrophobicContact CD2-CB 4.49Å; W147-P158 HydrophobicContact CD2-CG 3.64Å; W147-P158 HydrophobicContact CE3-CG 4.05Å; W147-P158 HydrophobicContact CG-CG 3.68Å; W147-R161 HydrophobicContact CH2-CB 3.99Å; W147-R161 HydrophobicContact CZ2-CB 4.06Å; W147-R161 HydrophobicContact CZ2-CG 4.12Å; W147-F163 HydrophobicContact CZ3-CE2 4.13Å; W147-S169 PolarHBondContact N-O 2.87Å; W147-L170 HydrophobicContact CB-CD2 4.34Å; W147-L170 HydrophobicContact CG-CD2 4.5Å
148	H	98.7	Very high	98.4	Very high	6 Å²	6	16.5 Å²	16.5	3%	0.028	8%	0.084	C	C	.	.			trans	58.9	25.5	176.8	-160.9	-160.2	0	0	0	115.8	C92 T93 I115 K146 L170 G172	C92-H148 WeakPolarHBondContact CB-ND1 3.49Å; T93-H148 PolarHBondContact OG1-CD2 3.45Å; T93-H148 VanDerWaalsContact OG1-CD2 3.32Å; T93-H148 PolarHBondContact OG1-CE1 2.75Å; T93-H148 VanDerWaalsContact OG1-CE1 3.3Å; T93-H148 PolarHBondContact OG1-ND1 2.97Å; T93-H148 PolarHBondContact OG1-NE2 3.02Å; T93-H148 PolarHBondContact OG1-O 3.06Å; I115-H148 PolarHBondContact O-NE2 3.17Å; K146-H148 HydrophobicContact CG-CB 4.09Å; H148-L170 WeakPolarHBondContact CA-O 3.44Å; H148-L170 PolarHBondContact N-O 3.41Å; H148-G172 WeakPolarHBondContact CD2-CA 3.44Å; H148-G172 PolarHBondContact CD2-N 3.31Å; H148-G172 VanDerWaalsContact CE1-CA 3.47Å; H148-G172 WeakPolarHBondContact CE1-CA 3.3Å; H148-G172 VanDerWaalsContact NE2-CA 3.3Å; H148-G172 WeakPolarHBondContact NE2-CA 3.49Å
149	L	98.7	Very high	98.5	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	8%	0.076	C	C	.	.	S	Bend	trans	-109.5	19.3	173.8	-61.9	-173.1	0	0	0	113.7	T93 R96 I100 C122 L123 W147	T93-L149 HydrophobicContact CG2-CD2 4.07Å; T93-L149 WeakPolarHBondContact O-CD2 3.37Å; R96-L149 HydrophobicContact CB-CD1 4.38Å; R96-L149 HydrophobicContact CB-CD2 3.7Å; R96-L149 HydrophobicContact CB-CG 4.15Å; I100-L149 HydrophobicContact CB-CD1 4.08Å; I100-L149 HydrophobicContact CG1-CD1 3.97Å; I100-L149 HydrophobicContact CG2-CD1 4.29Å; C122-L149 CarbonylContact C-O 3.56Å; C122-L149 WeakPolarHBondContact CA-O 3.49Å; C122-L149 VanDerWaalsContact CB-O 3.24Å; C122-L149 WeakPolarHBondContact CB-O 3.33Å; L123-L149 HydrophobicContact CB-CB 4.29Å; L123-L149 HydrophobicContact CD2-CD1 4.28Å; L123-L149 PolarHBondContact N-O 3.25Å; W147-L149 HydrophobicContact CD2-CB 4.01Å; W147-L149 HydrophobicContact CD2-CG 4.35Å; W147-L149 HydrophobicContact CE3-CB 4.42Å; W147-L149 HydrophobicContact CE3-CD1 4.17Å; W147-L149 HydrophobicContact CE3-CG 4.32Å; W147-L149 HydrophobicContact CH2-CB 4.35Å; W147-L149 HydrophobicContact CH2-CD1 3.87Å; W147-L149 HydrophobicContact CZ2-CB 3.9Å; W147-L149 HydrophobicContact CZ2-CD1 4.28Å; W147-L149 HydrophobicContact CZ3-CD1 3.8Å; W147-L149 HydrophobicContact CZ3-CG 4.43Å; W147-L149 PolarHBondContact O-N 3.3Å
150	G	98.2	Very high	98.4	Very high	2 Å²	2	23 Å²	23	2%	0.021	10%	0.101	C	C	.	.			trans	87.4	152	-179.7	0	0	0	0	0	113.4	N121 W147 C156	N121-G150 WeakPolarHBondContact O-CA 3.43Å; W147-G150 PolarHBondContact NE1-O 2.82Å; W147-G150 VanDerWaalsContact NE1-O 3.13Å; G150-C156 WeakPolarHBondContact O-CB 3.24Å
151	F	98.3	Very high	98.4	Very high	6 Å²	6	23 Å²	23	3%	0.026	10%	0.1	C	C	.	.			trans	-149	9.6	-172.5	59.9	-90.1	0	0	0	114	P117 R153 L157 L170 T171 W524 P526 W527	P117-F151 HydrophobicContact CB-CZ 4.24Å; P117-F151 VanDerWaalsContact O-CZ 3.28Å; P117-F151 WeakPolarHBondContact O-CZ 3.37Å; F151-R153 PolarHBondContact O-N 3.19Å; F151-R153 VanDerWaalsContact O-N 3.13Å; F151-L157 HydrophobicContact CB-CD2 4.01Å; F151-L170 HydrophobicContact CB-CB 4.16Å; F151-L170 HydrophobicContact CB-CD1 3.99Å; F151-L170 HydrophobicContact CB-CD2 4.38Å; F151-L170 HydrophobicContact CB-CG 4.41Å; F151-L170 HydrophobicContact CD1-CB 3.77Å; F151-L170 HydrophobicContact CD2-CD1 4.38Å; F151-L170 HydrophobicContact CE1-CB 4.35Å; F151-L170 HydrophobicContact CG-CB 3.94Å; F151-L170 HydrophobicContact CG-CD1 4.16Å; F151-T171 HydrophobicContact CE1-CG2 3.92Å; F151-T171 HydrophobicContact CZ-CG2 4.05Å; F151-W524 HydrophobicContact CE2-CB 4.08Å; F151-W524 HydrophobicContact CE2-CE3 4.41Å; F151-W524 HydrophobicContact CZ-CB 4.08Å; F151-W524 HydrophobicContact CZ-CE3 4.07Å; F151-P526 VanDerWaalsContact O-CA 3.26Å; F151-P526 WeakPolarHBondContact O-CA 3.43Å; F151-P526 VanDerWaalsContact O-CB 3.31Å; F151-P526 WeakPolarHBondContact O-CB 3.33Å; F151-P526 VanDerWaalsContact O-CG 3.26Å; F151-P526 WeakPolarHBondContact O-CG 3.16Å; F151-W527 HydrophobicContact CD2-CZ3 4.26Å; F151-W527 HydrophobicContact CE2-CE3 4.37Å; F151-W527 AromaticContact CE2-CZ3 3.82Å; F151-W527 HydrophobicContact CE2-CZ3 3.82Å; F151-W527 HydrophobicContact CZ-CZ3 4.36Å
152	Y	98.1	Very high	98.4	Very high	35 Å²	35	23.2 Å²	23.2	14%	0.137	10%	0.101	C	C	.	.	S	Bend	trans	-62.1	-24.5	-171.7	81.5	-73.3	0	0	0	115.1	P120 N121 C122 C156 W527 V528	P120-Y152 HydrophobicContact CB-CD2 3.7Å; P120-Y152 HydrophobicContact CB-CE2 4.02Å; P120-Y152 HydrophobicContact CB-CG 4.24Å; N121-Y152 WeakPolarHBondContact O-CD1 3.35Å; C122-Y152 HydrophobicContact CB-CD1 4.26Å; C122-Y152 HydrophobicContact CB-CE1 4.2Å; Y152-C156 VanDerWaalsContact CE1-SG 3.54Å; Y152-W527 VanDerWaalsContact CB-CZ2 3.47Å; Y152-W527 PolarHBondContact O-N 2.76Å; Y152-V528 HydrophobicContact CD2-CB 4.1Å; Y152-V528 HydrophobicContact CD2-CG2 3.79Å; Y152-V528 HydrophobicContact CE2-CG2 4.43Å; Y152-V528 PolarHBondContact O-N 3.37Å; Y152-V528 VanDerWaalsContact O-N 3.09Å
153	R	97.1	Very high	98.4	Very high	29 Å²	29	22.1 Å²	22.1	11%	0.109	10%	0.097	C	C	.	.	S	Bend	trans	-121.3	155.4	170.1	-73.7	172.5	63.7	155.8	0.4	109.9	F151 E155 C156 V528 E534	F151-R153 PolarHBondContact O-N 3.19Å; F151-R153 VanDerWaalsContact O-N 3.13Å; R153-E155 IonicContact CZ-OE2 3.28Å; R153-E155 IonicContact NE-OE2 3.31Å; R153-E155 PolarHBondContact NE-OE2 2.72Å; R153-E155 IonicContact NH2-OE2 3.07Å; R153-E155 PolarHBondContact NH2-OE2 2.78Å; R153-E155 PolarHBondContact O-N 2.84Å; R153-C156 VanDerWaalsContact O-CB 3.3Å; R153-C156 WeakPolarHBondContact O-CB 3.49Å; R153-C156 PolarHBondContact O-N 2.8Å; R153-V528 HydrophobicContact CG-CB 3.85Å; R153-V528 HydrophobicContact CG-CG1 4Å; R153-E534 IonicContact CZ-OE1 2.64Å; R153-E534 VanDerWaalsContact CZ-OE1 3.32Å; R153-E534 IonicContact NH1-OE1 2.95Å; R153-E534 PolarHBondContact NH1-OE1 2.8Å; R153-E534 IonicContact NH2-OE1 2.74Å; R153-E534 PolarHBondContact NH2-OE1 2.76Å
154	K	97.4	Very high	98.4	Very high	122 Å²	122	27.6 Å²	27.6	53%	0.53	12%	0.122	S	C	.	.	G	3₁₀ helix	trans	-58.4	-37.7	177.5	-71.7	-178.9	178.5	178.8	0	112.1	C156 L157 R160 P526	K154-C156 PolarHBondContact O-N 3.04Å; K154-L157 HydrophobicContact CB-CD1 4.47Å; K154-L157 HydrophobicContact CG-CD1 4.5Å; K154-L157 VanDerWaalsContact O-CB 3.25Å; K154-L157 WeakPolarHBondContact O-CB 3.39Å; K154-L157 WeakPolarHBondContact O-CG 3.22Å; K154-L157 PolarHBondContact O-N 3.43Å; K154-R160 WeakPolarHBondContact O-CG 2.9Å; K154-P526 HydrophobicContact CG-CB 4.35Å; K154-P526 HydrophobicContact CG-CG 4.24Å
155	E	97.8	Very high	98.4	Very high	68 Å²	68	29.4 Å²	29.4	32%	0.318	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-58.3	-20.4	176.9	-58.5	76.9	-94.6	0	0	113.5	L125 R153 R161	L125-E155 HydrophobicContact CD1-CB 3.88Å; L125-E155 HydrophobicContact CD2-CB 3.94Å; R153-E155 IonicContact CZ-OE2 3.28Å; R153-E155 IonicContact NE-OE2 3.31Å; R153-E155 PolarHBondContact NE-OE2 2.72Å; R153-E155 IonicContact NH2-OE2 3.07Å; R153-E155 PolarHBondContact NH2-OE2 2.78Å; R153-E155 PolarHBondContact O-N 2.84Å; E155-R161 WeakPolarHBondContact O-CD 3.4Å; E155-R161 WeakPolarHBondContact O-CG 3.25Å
156	C	98.3	Very high	98.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-84.2	-12.8	175.7	-56.6	0	0	0	0	113.7	C122 W147 G150 Y152 R153 K154	C122-C156 HydrophobicContact CB-CB 3.4Å; C122-C156 WeakPolarHBondContact CB-SG 3.42Å; C122-C156 WeakPolarHBondContact SG-CB 3.23Å; C122-C156 CovalentContact SG-SG 2.04Å; C122-C156 PolarHBondContact SG-SG 2.91Å; W147-C156 WeakPolarHBondContact CZ2-O 3.35Å; W147-C156 PolarHBondContact NE1-O 3.37Å; G150-C156 WeakPolarHBondContact O-CB 3.24Å; Y152-C156 VanDerWaalsContact CE1-SG 3.54Å; R153-C156 VanDerWaalsContact O-CB 3.3Å; R153-C156 WeakPolarHBondContact O-CB 3.49Å; R153-C156 PolarHBondContact O-N 2.8Å; K154-C156 PolarHBondContact O-N 3.04Å
157	L	98.7	Very high	98.4	Very high	7 Å²	7	29.8 Å²	29.8	4%	0.037	14%	0.136	C	C	.	.	S	Bend	trans	-70.6	151.1	-176.6	-63.5	176.3	0	0	0	112.1	F151 K154 T159 R160 R161 L170 E196 P526	F151-L157 HydrophobicContact CB-CD2 4.01Å; K154-L157 HydrophobicContact CB-CD1 4.47Å; K154-L157 HydrophobicContact CG-CD1 4.5Å; K154-L157 VanDerWaalsContact O-CB 3.25Å; K154-L157 WeakPolarHBondContact O-CB 3.39Å; K154-L157 WeakPolarHBondContact O-CG 3.22Å; K154-L157 PolarHBondContact O-N 3.43Å; L157-T159 PolarHBondContact O-N 3.11Å; L157-T159 VanDerWaalsContact O-N 3.12Å; L157-R160 PolarHBondContact O-N 3.32Å; L157-R161 WeakPolarHBondContact O-CG 3.4Å; L157-R161 PolarHBondContact O-N 3.04Å; L157-L170 HydrophobicContact CD2-CD1 3.8Å; L157-L170 HydrophobicContact CD2-CD2 3.82Å; L157-E196 HydrophobicContact CD1-CB 4.16Å; L157-E196 HydrophobicContact CD1-CG 4.02Å; L157-P526 HydrophobicContact CD1-CG 4.02Å; L157-P526 HydrophobicContact CD2-CG 4.07Å; L157-P526 HydrophobicContact CG-CG 4.19Å
158	P	98.8	Very high	98.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-36.8	178.8	-27	34.3	0	0	0	114	M143 W147 R160 R161 G162 F163 Y166 L170	M143-P158 HydrophobicContact SD-CB 4.17Å; M143-P158 HydrophobicContact SD-CG 4.25Å; W147-P158 HydrophobicContact CB-CG 4.06Å; W147-P158 HydrophobicContact CD2-CB 4.49Å; W147-P158 HydrophobicContact CD2-CG 3.64Å; W147-P158 HydrophobicContact CE3-CG 4.05Å; W147-P158 HydrophobicContact CG-CG 3.68Å; P158-R160 VanDerWaalsContact C-N 3.34Å; P158-R160 PolarHBondContact O-N 3.16Å; P158-R161 CarbonylContact O-C 3.41Å; P158-R161 PolarHBondContact O-N 2.86Å; P158-R161 VanDerWaalsContact O-N 3.13Å; P158-G162 PolarHBondContact O-N 2.87Å; P158-F163 HydrophobicContact CB-CD2 3.9Å; P158-F163 PolarHBondContact O-N 2.99Å; P158-F163 VanDerWaalsContact O-N 3.08Å; P158-Y166 HydrophobicContact CB-CD1 4.41Å; P158-Y166 HydrophobicContact CB-CD2 3.81Å; P158-Y166 HydrophobicContact CB-CE2 4.35Å; P158-Y166 HydrophobicContact CB-CG 3.83Å; P158-Y166 HydrophobicContact CG-CD1 3.97Å; P158-Y166 HydrophobicContact CG-CD2 3.68Å; P158-Y166 HydrophobicContact CG-CE1 4.02Å; P158-Y166 HydrophobicContact CG-CE2 3.74Å; P158-Y166 HydrophobicContact CG-CG 3.79Å; P158-L170 HydrophobicContact CG-CD2 4.46Å
159	T	98.6	Very high	98.4	Very high	34 Å²	34	29.3 Å²	29.3	21%	0.209	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-36.3	175.7	43.9	0	0	0	0	113.6	L157 F163 E196	L157-T159 PolarHBondContact O-N 3.11Å; L157-T159 VanDerWaalsContact O-N 3.12Å; T159-F163 WeakPolarHBondContact CA-O 3.19Å; T159-E196 WeakPolarHBondContact CB-OE1 3.15Å; T159-E196 HydrophobicContact CG2-CG 3.97Å; T159-E196 WeakPolarHBondContact OG1-CG 3.37Å; T159-E196 PolarHBondContact OG1-OE1 2.87Å
160	R	98.1	Very high	98.4	Very high	140 Å²	140	29.4 Å²	29.4	53%	0.528	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-7.9	175.3	-54.4	-57.4	169.9	157.5	-2.7	112.9	K154 L157 P158 E196	K154-R160 WeakPolarHBondContact O-CG 2.9Å; L157-R160 PolarHBondContact O-N 3.32Å; P158-R160 VanDerWaalsContact C-N 3.34Å; P158-R160 PolarHBondContact O-N 3.16Å; R160-E196 IonicContact CZ-OE1 2.67Å; R160-E196 IonicContact CZ-OE2 2.72Å; R160-E196 IonicContact NE-OE1 2.77Å; R160-E196 PolarHBondContact NE-OE1 3.03Å; R160-E196 IonicContact NE-OE2 2.83Å; R160-E196 IonicContact NH2-OE1 3Å; R160-E196 PolarHBondContact NH2-OE1 3.33Å; R160-E196 IonicContact NH2-OE2 3.32Å; R160-E196 PolarHBondContact NH2-OE2 3.37Å
161	R	98.3	Very high	98.4	Very high	6 Å²	6	29.4 Å²	29.4	2%	0.023	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	24.9	179.2	-60.5	-52.8	-64.5	-95.7	10.8	113.9	L123 P124 M127 T129 P131 W147 E155 L157 P158	L123-R161 PolarHBondContact O-NH1 3.08Å; P124-R161 PolarHBondContact O-NH1 2.93Å; P124-R161 PolarHBondContact O-NH2 3.37Å; M127-R161 PolarHBondContact O-NH2 3.1Å; T129-R161 HydrophobicContact CG2-CB 4.25Å; T129-R161 PolarHBondContact OG1-O 3.28Å; P131-R161 WeakPolarHBondContact CG-O 3.28Å; W147-R161 HydrophobicContact CH2-CB 3.99Å; W147-R161 HydrophobicContact CZ2-CB 4.06Å; W147-R161 HydrophobicContact CZ2-CG 4.12Å; E155-R161 WeakPolarHBondContact O-CD 3.4Å; E155-R161 WeakPolarHBondContact O-CG 3.25Å; L157-R161 WeakPolarHBondContact O-CG 3.4Å; L157-R161 PolarHBondContact O-N 3.04Å; P158-R161 CarbonylContact O-C 3.41Å; P158-R161 PolarHBondContact O-N 2.86Å; P158-R161 VanDerWaalsContact O-N 3.13Å
162	G	98.1	Very high	98.2	Very high	3 Å²	3	29.6 Å²	29.6	3%	0.031	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	109.1	0.6	164	0	0	0	0	0	116.6	Q135 T141 P158	Q135-G162 WeakPolarHBondContact CG-O 3.26Å; Q135-G162 PolarHBondContact NE2-O 3.38Å; Q135-G162 VanDerWaalsContact OE1-CA 3.26Å; Q135-G162 PolarHBondContact OE1-O 3.29Å; T141-G162 WeakPolarHBondContact CB-O 3.5Å; T141-G162 PolarHBondContact OG1-O 3.22Å; P158-G162 PolarHBondContact O-N 2.87Å
163	F	98.8	Very high	98.1	Very high	1 Å²	1	30 Å²	30	0%	0.004	15%	0.145	C	C	.	.			trans	-95.9	114.4	177	-66.5	-73.8	0	0	0	111.4	I100 P131 T141 M143 W147 P158 T159 S165 F230 F232	I100-F163 HydrophobicContact CD1-CE2 4.48Å; I100-F163 HydrophobicContact CD1-CZ 4.3Å; P131-F163 HydrophobicContact CB-CD1 3.99Å; P131-F163 HydrophobicContact CB-CD2 4.41Å; P131-F163 HydrophobicContact CB-CE1 3.79Å; P131-F163 HydrophobicContact CB-CE2 4.23Å; P131-F163 HydrophobicContact CB-CG 4.32Å; P131-F163 HydrophobicContact CB-CZ 3.92Å; P131-F163 HydrophobicContact CG-CD1 4.47Å; P131-F163 HydrophobicContact CG-CD2 4.11Å; P131-F163 HydrophobicContact CG-CE1 4.07Å; P131-F163 HydrophobicContact CG-CE2 3.68Å; P131-F163 HydrophobicContact CG-CZ 3.66Å; T141-F163 CarbonylContact O-C 3.57Å; M143-F163 HydrophobicContact CB-CB 4.28Å; M143-F163 HydrophobicContact CB-CD1 3.64Å; M143-F163 HydrophobicContact CB-CD2 3.82Å; M143-F163 HydrophobicContact CB-CE1 3.78Å; M143-F163 HydrophobicContact CB-CE2 3.94Å; M143-F163 HydrophobicContact CB-CG 3.65Å; M143-F163 HydrophobicContact CB-CZ 3.92Å; M143-F163 HydrophobicContact CG-CE2 4.38Å; M143-F163 HydrophobicContact CG-CZ 4.44Å; M143-F163 HydrophobicContact SD-CD2 4.16Å; M143-F163 HydrophobicContact SD-CE2 3.76Å; M143-F163 HydrophobicContact SD-CZ 4.22Å; W147-F163 HydrophobicContact CZ3-CE2 4.13Å; P158-F163 HydrophobicContact CB-CD2 3.9Å; P158-F163 PolarHBondContact O-N 2.99Å; P158-F163 VanDerWaalsContact O-N 3.08Å; T159-F163 WeakPolarHBondContact CA-O 3.19Å; F163-S165 PolarHBondContact O-N 2.71Å; F163-F230 AromaticContact CE1-CD1 3.95Å; F163-F230 HydrophobicContact CE1-CD1 3.95Å; F163-F230 AromaticContact CE1-CE1 3.59Å; F163-F230 HydrophobicContact CE1-CE1 3.59Å; F163-F230 HydrophobicContact CZ-CE1 4.03Å; F163-F232 HydrophobicContact CE1-CB 3.85Å; F163-F232 HydrophobicContact CE1-CD1 4.45Å; F163-F232 HydrophobicContact CE2-CD1 4.38Å; F163-F232 HydrophobicContact CZ-CB 3.94Å; F163-F232 AromaticContact CZ-CD1 3.71Å; F163-F232 HydrophobicContact CZ-CD1 3.71Å; F163-F232 HydrophobicContact CZ-CG 4.24Å
164	H	98.5	Very high	98.1	Very high	116 Å²	116	28.8 Å²	28.8	54%	0.537	14%	0.141	S	C	.	.	S	Bend	trans	-54.9	-30.4	172.4	-71.1	103	0	0	0	113.2	Q135 Y139 T141	Q135-H164 PolarHBondContact NE2-CE1 2.9Å; Q135-H164 PolarHBondContact NE2-ND1 2.97Å; Q135-H164 PolarHBondContact NE2-NE2 2.59Å; Y139-H164 PolarHBondContact O-CE1 2.93Å; T141-H164 PolarHBondContact N-ND1 3.27Å; T141-H164 WeakPolarHBondContact O-CB 3.22Å; T141-H164 PolarHBondContact O-N 3.06Å; T141-H164 PolarHBondContact OG1-N 2.82Å; T141-H164 VanDerWaalsContact OG1-N 3.07Å; T141-H164 PolarHBondContact OG1-ND1 2.96Å
165	S	98.8	Very high	98.1	Very high	38 Å²	38	24.6 Å²	24.6	27%	0.266	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	142.6	170.3	80	0	0	0	0	112.9	T141 H142 M143 F163	T141-S165 PolarHBondContact O-N 3.25Å; H142-S165 PolarHBondContact ND1-OG 2.91Å; M143-S165 PolarHBondContact N-O 3.05Å; F163-S165 PolarHBondContact O-N 2.71Å
166	Y	98.9	Very high	98.2	Very high	6 Å²	6	21.4 Å²	21.4	2%	0.024	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	144	174.7	176.5	-122.2	0	0	0	111.8	M143 G145 P158 G168 S169 L170 H193 G195	M143-Y166 HydrophobicContact CB-CD2 4.02Å; M143-Y166 HydrophobicContact CE-CE2 4.33Å; M143-Y166 HydrophobicContact CG-CD2 3.85Å; M143-Y166 HydrophobicContact CG-CE2 4.06Å; M143-Y166 WeakPolarHBondContact O-CA 3.2Å; M143-Y166 HydrophobicContact SD-CD2 4.16Å; M143-Y166 HydrophobicContact SD-CE2 4.09Å; G145-Y166 WeakPolarHBondContact O-CE2 3.28Å; G145-Y166 PolarHBondContact O-OH 2.81Å; P158-Y166 HydrophobicContact CB-CD1 4.41Å; P158-Y166 HydrophobicContact CB-CD2 3.81Å; P158-Y166 HydrophobicContact CB-CE2 4.35Å; P158-Y166 HydrophobicContact CB-CG 3.83Å; P158-Y166 HydrophobicContact CG-CD1 3.97Å; P158-Y166 HydrophobicContact CG-CD2 3.68Å; P158-Y166 HydrophobicContact CG-CE1 4.02Å; P158-Y166 HydrophobicContact CG-CE2 3.74Å; P158-Y166 HydrophobicContact CG-CG 3.79Å; Y166-G168 PolarHBondContact OH-O 3.09Å; Y166-S169 PolarHBondContact OH-N 2.84Å; Y166-S169 PolarHBondContact OH-O 2.97Å; Y166-S169 VanDerWaalsContact OH-O 3.1Å; Y166-L170 HydrophobicContact CE1-CD2 3.73Å; Y166-L170 HydrophobicContact CE1-CG 4.39Å; Y166-H193 HydrophobicContact CD1-CB 4.38Å; Y166-H193 HydrophobicContact CE1-CB 3.96Å; Y166-G195 PolarHBondContact O-N 3.49Å
167	F	98.9	Very high	98.2	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.009	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	109.7	167	-178.5	-95.6	0	0	0	111.1	M143 V144 G145 L192 H193 E194 A199 L210 Y211 R214	M143-F167 PolarHBondContact O-N 3.39Å; M143-F167 VanDerWaalsContact O-N 3.08Å; V144-F167 CarbonylContact C-O 3.48Å; V144-F167 VanDerWaalsContact CA-O 3.32Å; V144-F167 WeakPolarHBondContact CA-O 3.26Å; V144-F167 HydrophobicContact CG1-CD1 4.38Å; G145-F167 PolarHBondContact N-O 3.44Å; F167-L192 HydrophobicContact CE1-CD1 4.33Å; F167-L192 HydrophobicContact CZ-CD1 4.28Å; F167-L192 HydrophobicContact CZ-CD2 4.15Å; F167-L192 HydrophobicContact CZ-CG 4.4Å; F167-H193 VanDerWaalsContact CA-O 3.3Å; F167-H193 WeakPolarHBondContact CA-O 3.46Å; F167-H193 VanDerWaalsContact CD2-O 3.3Å; F167-H193 WeakPolarHBondContact CD2-O 3.43Å; F167-E194 HydrophobicContact CD2-CB 3.86Å; F167-E194 HydrophobicContact CD2-CG 4Å; F167-E194 HydrophobicContact CE2-CB 4.27Å; F167-A199 HydrophobicContact CE2-CB 4.16Å; F167-L210 HydrophobicContact CE1-CD2 4.01Å; F167-L210 HydrophobicContact CE1-CG 3.88Å; F167-L210 HydrophobicContact CZ-CD2 3.81Å; F167-L210 HydrophobicContact CZ-CG 4.01Å; F167-Y211 AromaticContact CD1-CD1 3.99Å; F167-Y211 HydrophobicContact CD1-CD1 3.99Å; F167-Y211 HydrophobicContact CD1-CE1 4.22Å; F167-Y211 AromaticContact CE1-CD1 3.98Å; F167-Y211 HydrophobicContact CE1-CD1 3.98Å; F167-Y211 HydrophobicContact CE1-CE1 4.12Å; F167-R214 HydrophobicContact CB-CG 3.91Å; F167-R214 HydrophobicContact CD1-CB 4.07Å; F167-R214 HydrophobicContact CD1-CG 4Å; F167-R214 VanDerWaalsContact CE2-NH2 3.25Å; F167-R214 HydrophobicContact CG-CG 4.1Å
168	G	98.6	Very high	98.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.6	-166.9	-174.5	0	0	0	0	0	115.4	G145 Y166 H193	G145-G168 WeakPolarHBondContact O-CA 3.45Å; Y166-G168 PolarHBondContact OH-O 3.09Å; G168-H193 PolarHBondContact N-O 2.87Å; G168-H193 VanDerWaalsContact N-O 3.12Å; G168-H193 PolarHBondContact O-N 3.05Å
169	S	98.6	Very high	98.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.143	C	C	.	.			trans	-100.4	128.2	-177	60.1	0	0	0	0	112.1	K146 W147 Y166 D191	K146-S169 WeakPolarHBondContact CA-O 3.38Å; W147-S169 PolarHBondContact N-O 2.87Å; Y166-S169 PolarHBondContact OH-N 2.84Å; Y166-S169 PolarHBondContact OH-O 2.97Å; Y166-S169 VanDerWaalsContact OH-O 3.1Å; S169-D191 VanDerWaalsContact CA-OD1 3.31Å; S169-D191 WeakPolarHBondContact CA-OD1 3.49Å; S169-D191 WeakPolarHBondContact CB-O 3.38Å; S169-D191 WeakPolarHBondContact CB-OD2 3.25Å
170	L	98.8	Very high	98	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.016	15%	0.145	C	C	.	.	S	Bend	trans	-76.6	-30.9	-178.4	-64.7	173.9	0	0	0	113.2	W147 H148 F151 L157 P158 Y166 D191	W147-L170 HydrophobicContact CB-CD2 4.34Å; W147-L170 HydrophobicContact CG-CD2 4.5Å; H148-L170 WeakPolarHBondContact CA-O 3.44Å; H148-L170 PolarHBondContact N-O 3.41Å; F151-L170 HydrophobicContact CB-CB 4.16Å; F151-L170 HydrophobicContact CB-CD1 3.99Å; F151-L170 HydrophobicContact CB-CD2 4.38Å; F151-L170 HydrophobicContact CB-CG 4.41Å; F151-L170 HydrophobicContact CD1-CB 3.77Å; F151-L170 HydrophobicContact CD2-CD1 4.38Å; F151-L170 HydrophobicContact CE1-CB 4.35Å; F151-L170 HydrophobicContact CG-CB 3.94Å; F151-L170 HydrophobicContact CG-CD1 4.16Å; L157-L170 HydrophobicContact CD2-CD1 3.8Å; L157-L170 HydrophobicContact CD2-CD2 3.82Å; P158-L170 HydrophobicContact CG-CD2 4.46Å; Y166-L170 HydrophobicContact CE1-CD2 3.73Å; Y166-L170 HydrophobicContact CE1-CG 4.39Å; L170-D191 VanDerWaalsContact N-CG 3.33Å; L170-D191 PolarHBondContact N-OD1 3.4Å; L170-D191 PolarHBondContact N-OD2 3.49Å
171	T	98.2	Very high	98	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.012	12%	0.122	C	C	.	.	S	Bend	trans	-82.1	-175.5	-176.1	72	0	0	0	0	113.7	P117 F151 S173 S181 D191 W524	P117-T171 HydrophobicContact CB-CG2 4.11Å; P117-T171 HydrophobicContact CG-CG2 4.01Å; F151-T171 HydrophobicContact CE1-CG2 3.92Å; F151-T171 HydrophobicContact CZ-CG2 4.05Å; T171-S173 PolarHBondContact OG1-O 3.06Å; T171-S181 WeakPolarHBondContact OG1-CB 3.39Å; T171-S181 PolarHBondContact OG1-OG 2.99Å; T171-D191 WeakPolarHBondContact CA-OD2 3.37Å; T171-D191 WeakPolarHBondContact CB-OD2 3.3Å; T171-D191 HydrophobicContact CG2-CB 4.32Å; T171-D191 VanDerWaalsContact CG2-OD2 3.24Å; T171-D191 WeakPolarHBondContact CG2-OD2 3.5Å; T171-D191 PolarHBondContact N-OD2 3.48Å; T171-D191 PolarHBondContact OG1-OD2 3.21Å; T171-W524 HydrophobicContact CG2-CB 4.05Å; T171-W524 HydrophobicContact CG2-CD2 4.32Å; T171-W524 HydrophobicContact CG2-CG 3.89Å
172	G	95.6	Very high	97.8	Very high	9 Å²	9	24.2 Å²	24.2	9%	0.093	14%	0.144	C	C	.	.	S	Bend	trans	-78.2	-18.7	-179.7	0	0	0	0	0	116.1	K146 H148	K146-G172 WeakPolarHBondContact CE-O 3.48Å; K146-G172 PolarHBondContact NZ-O 2.69Å; H148-G172 WeakPolarHBondContact CD2-CA 3.44Å; H148-G172 PolarHBondContact CD2-N 3.31Å; H148-G172 VanDerWaalsContact CE1-CA 3.47Å; H148-G172 WeakPolarHBondContact CE1-CA 3.3Å; H148-G172 VanDerWaalsContact NE2-CA 3.3Å; H148-G172 WeakPolarHBondContact NE2-CA 3.49Å
173	S	95.4	Very high	97.5	Very high	44 Å²	44	25.4 Å²	25.4	31%	0.308	15%	0.149	S	C	.	.			trans	-173	149.3	179.6	53.8	0	0	0	0	110.7	T171 S181	T171-S173 PolarHBondContact OG1-O 3.06Å; S173-S181 WeakPolarHBondContact O-CB 3.33Å; S173-S181 PolarHBondContact O-OG 2.99Å
174	V	97.3	Very high	97	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.018	17%	0.168	C	C	.	.			trans	-136.1	165.4	178.4	-57.3	0	0	0	0	111.3	G180 D191 Q236 P241	V174-G180 CarbonylContact C-O 3.55Å; V174-G180 WeakPolarHBondContact CA-O 3.35Å; V174-D191 HydrophobicContact CG1-CB 3.81Å; V174-D191 WeakPolarHBondContact CG1-OD2 3.41Å; V174-Q236 PolarHBondContact O-NE2 3.35Å; V174-P241 VanDerWaalsContact O-CD 3.22Å; V174-P241 WeakPolarHBondContact O-CD 3.35Å
175	D	98	Very high	96.3	Very high	35 Å²	35	28.2 Å²	28.2	19%	0.187	19%	0.185	C	C	.	.			trans	-65	136	161.5	-176.4	-73.4	0	0	0	110.5	Y177 T178 Y179 G180 Q243	D175-Y177 PolarHBondContact O-N 2.83Å; D175-Y177 WeakPolarHBondContact OD1-CA 3.38Å; D175-Y177 PolarHBondContact OD1-N 2.92Å; D175-T178 WeakPolarHBondContact CB-OG1 3.44Å; D175-T178 PolarHBondContact OD1-N 3.04Å; D175-T178 PolarHBondContact OD1-OG1 2.94Å; D175-Y179 VanDerWaalsContact O-CA 3.27Å; D175-Y179 WeakPolarHBondContact O-CA 3.48Å; D175-Y179 PolarHBondContact O-N 3.37Å; D175-G180 PolarHBondContact N-O 3.1Å; D175-Q243 PolarHBondContact OD2-NE2 3.38Å; D175-Q243 PolarHBondContact OD2-OE1 3.28Å
176	Y	98.4	Very high	95.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-14.6	-174.8	-81.4	-101.2	0	0	0	114.4	F206 S207 Q236 A237 H239 P241 Q243 L266	Y176-F206 HydrophobicContact CD1-CD2 4.07Å; Y176-F206 HydrophobicContact CD1-CE1 4.17Å; Y176-F206 AromaticContact CD1-CE2 3.28Å; Y176-F206 HydrophobicContact CD1-CE2 3.28Å; Y176-F206 AromaticContact CD1-CZ 3.33Å; Y176-F206 HydrophobicContact CD1-CZ 3.33Å; Y176-F206 HydrophobicContact CE1-CE2 4.13Å; Y176-F206 AromaticContact CE1-CZ 3.76Å; Y176-F206 HydrophobicContact CE1-CZ 3.76Å; Y176-F206 HydrophobicContact CG-CD2 4.32Å; Y176-F206 AromaticContact CG-CE2 3.63Å; Y176-F206 HydrophobicContact CG-CE2 3.63Å; Y176-F206 HydrophobicContact CG-CZ 4.13Å; Y176-F206 CarbonylContact O-C 3.58Å; Y176-F206 WeakPolarHBondContact O-CA 3.37Å; Y176-S207 WeakPolarHBondContact CD1-OG 3.36Å; Y176-S207 PolarHBondContact O-N 3.13Å; Y176-Q236 HydrophobicContact CE1-CG 4.48Å; Y176-Q236 VanDerWaalsContact CE2-NE2 3.27Å; Y176-Q236 PolarHBondContact OH-O 2.78Å; Y176-A237 WeakPolarHBondContact OH-CA 3.34Å; Y176-H239 WeakPolarHBondContact CE2-O 3.3Å; Y176-H239 PolarHBondContact OH-O 2.69Å; Y176-P241 HydrophobicContact CD2-CG 4.26Å; Y176-P241 WeakPolarHBondContact CD2-O 3.33Å; Y176-P241 WeakPolarHBondContact CE2-O 3.3Å; Y176-Q243 HydrophobicContact CD2-CB 4.09Å; Y176-Q243 HydrophobicContact CG-CB 4.4Å; Y176-L266 HydrophobicContact CE1-CD2 4.23Å
177	Y	98.2	Very high	95.2	Very high	66 Å²	66	31.4 Å²	31.4	26%	0.259	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-31.4	-178.2	-57.9	-93.6	0	0	0	113.7	D175 G203 G204 F206 Q243 P245	D175-Y177 PolarHBondContact O-N 2.83Å; D175-Y177 WeakPolarHBondContact OD1-CA 3.38Å; D175-Y177 PolarHBondContact OD1-N 2.92Å; Y177-G203 CarbonylContact O-C 3.49Å; Y177-G203 VanDerWaalsContact O-CA 3.31Å; Y177-G203 WeakPolarHBondContact O-CA 3.43Å; Y177-G204 PolarHBondContact O-N 2.94Å; Y177-F206 HydrophobicContact CD1-CB 4.37Å; Y177-F206 HydrophobicContact CD1-CD2 4.46Å; Y177-F206 HydrophobicContact CE1-CB 3.93Å; Y177-F206 AromaticContact CE1-CD2 3.84Å; Y177-F206 HydrophobicContact CE1-CD2 3.84Å; Y177-F206 HydrophobicContact CE1-CG 4.37Å; Y177-F206 AromaticContact CE2-CD2 3.92Å; Y177-F206 HydrophobicContact CE2-CD2 3.92Å; Y177-F206 HydrophobicContact CE2-CE2 4.36Å; Y177-F206 AromaticContact CZ-CD2 3.53Å; Y177-Q243 HydrophobicContact CE2-CB 4.02Å; Y177-Q243 VanDerWaalsContact CE2-O 3.25Å; Y177-Q243 WeakPolarHBondContact CE2-O 3.42Å; Y177-Q243 PolarHBondContact OH-O 2.89Å; Y177-P245 WeakPolarHBondContact OH-CG 3.37Å
178	T	97.9	Very high	95.1	Very high	80 Å²	80	34 Å²	34	49%	0.491	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-16.5	179.6	72.3	0	0	0	0	113.1	D175 G180 Y190	D175-T178 WeakPolarHBondContact CB-OG1 3.44Å; D175-T178 PolarHBondContact OD1-N 3.04Å; D175-T178 PolarHBondContact OD1-OG1 2.94Å; T178-G180 PolarHBondContact O-N 3.19Å; T178-G180 PolarHBondContact OG1-N 2.93Å; T178-Y190 VanDerWaalsContact O-CD2 3.32Å; T178-Y190 WeakPolarHBondContact O-CD2 3.47Å; T178-Y190 VanDerWaalsContact O-CE2 3.22Å; T178-Y190 WeakPolarHBondContact O-CE2 3.4Å
179	Y	98	Very high	95.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	24%	0.24	C	C	.	.			trans	57.8	19.3	-174.9	-34	-70.1	0	0	0	114.9	D175 Y190 D191 L192 R202 K205 L210	D175-Y179 VanDerWaalsContact O-CA 3.27Å; D175-Y179 WeakPolarHBondContact O-CA 3.48Å; D175-Y179 PolarHBondContact O-N 3.37Å; Y179-Y190 AromaticContact CD2-CE2 3.76Å; Y179-Y190 HydrophobicContact CD2-CE2 3.76Å; Y179-Y190 AromaticContact CD2-CZ 3.77Å; Y179-Y190 WeakPolarHBondContact CD2-OH 3.32Å; Y179-Y190 HydrophobicContact CG-CE2 4.49Å; Y179-D191 PolarHBondContact O-N 3.01Å; Y179-L192 HydrophobicContact CD1-CB 4.46Å; Y179-L192 HydrophobicContact CD1-CD2 4.19Å; Y179-L192 HydrophobicContact CD2-CB 4.1Å; Y179-L192 HydrophobicContact CD2-CD2 3.68Å; Y179-L192 HydrophobicContact CD2-CG 4.49Å; Y179-L192 HydrophobicContact CE1-CD2 4.18Å; Y179-L192 HydrophobicContact CE2-CD2 3.65Å; Y179-L192 HydrophobicContact CG-CB 3.85Å; Y179-L192 HydrophobicContact CG-CD2 3.94Å; Y179-L192 HydrophobicContact CG-CG 4.38Å; Y179-R202 HydrophobicContact CD2-CB 4.45Å; Y179-R202 HydrophobicContact CE2-CB 3.61Å; Y179-R202 PolarHBondContact OH-O 3.2Å; Y179-K205 PolarHBondContact OH-O 2.93Å; Y179-L210 WeakPolarHBondContact OH-CD2 3.24Å
180	G	97.6	Very high	95.1	Very high	24 Å²	24	35.8 Å²	35.8	25%	0.247	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	132.4	169.4	0	0	0	0	0	111.5	V174 D175 T178 G189	V174-G180 CarbonylContact C-O 3.55Å; V174-G180 WeakPolarHBondContact CA-O 3.35Å; D175-G180 PolarHBondContact N-O 3.1Å; T178-G180 PolarHBondContact O-N 3.19Å; T178-G180 PolarHBondContact OG1-N 2.93Å; G180-G189 WeakPolarHBondContact CA-O 3.4Å
181	S	97.1	Very high	95	Very high	5 Å²	5	35.7 Å²	35.7	4%	0.035	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	138.5	168.5	-167.7	0	0	0	0	109.7	T171 S173 C188 G189 W524	T171-S181 WeakPolarHBondContact OG1-CB 3.39Å; T171-S181 PolarHBondContact OG1-OG 2.99Å; S173-S181 WeakPolarHBondContact O-CB 3.33Å; S173-S181 PolarHBondContact O-OG 2.99Å; S181-C188 CarbonylContact O-C 3.55Å; S181-C188 VanDerWaalsContact O-CA 3.31Å; S181-C188 WeakPolarHBondContact O-CA 3.49Å; S181-G189 PolarHBondContact N-O 2.66Å; S181-G189 PolarHBondContact O-N 2.9Å; S181-W524 PolarHBondContact O-NE1 3.1Å
182	C	95.1	Very high	95.1	Very high	72 Å²	72	35.6 Å²	35.6	49%	0.486	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	135.4	-178	-53.7	0	0	0	0	111.3	L187 C188	C182-L187 CarbonylContact C-O 3.5Å; C182-L187 VanDerWaalsContact CA-O 3.22Å; C182-L187 WeakPolarHBondContact CA-O 3.41Å; C182-C188 HydrophobicContact CB-CB 4.07Å; C182-C188 WeakPolarHBondContact CB-SG 3.31Å; C182-C188 WeakPolarHBondContact SG-CB 3.36Å; C182-C188 CovalentContact SG-SG 2.04Å; C182-C188 PolarHBondContact SG-SG 3.32Å
183	D	91.9	Very high	95.2	Very high	27 Å²	27	35.3 Å²	35.3	14%	0.144	24%	0.24	C	C	.	.	S	Bend	trans	-109.6	50.3	177.4	-171.8	38.2	0	0	0	110.7	P117 R118 L187 W524	P117-D183 HydrophobicContact CB-CB 4.38Å; P117-D183 HydrophobicContact CG-CB 4.15Å; R118-D183 IonicContact CZ-OD2 2.76Å; R118-D183 IonicContact NE-OD2 3.57Å; R118-D183 PolarHBondContact NE-OD2 2.65Å; R118-D183 IonicContact NH2-OD2 3.45Å; R118-D183 PolarHBondContact NH2-OD2 2.84Å; D183-L187 HydrophobicContact CB-CD2 4.24Å; D183-L187 PolarHBondContact N-O 2.71Å; D183-W524 HydrophobicContact CB-CH2 4.07Å; D183-W524 HydrophobicContact CB-CZ2 4.21Å
184	G	86.9	Confident	95.4	Very high	38 Å²	38	36.1 Å²	36.1	39%	0.392	24%	0.239	S	C	.	.	S	Bend	trans	116.8	177.1	-174.6	0	0	0	0	0	113.5
185	P	83.9	Confident	95.4	Very high	138 Å²	138	37.1 Å²	37.1	90%	0.896	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	135.4	178.6	-21.4	33.8	0	0	0	112	L187	P185-L187 PolarHBondContact O-N 2.76Å
186	G	82.2	Confident	95.4	Very high	80 Å²	80	38.6 Å²	38.6	83%	0.825	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	-14.1	177.3	0	0	0	0	0	115.9
187	L	93.7	Very high	95.4	Very high	32 Å²	32	43.1 Å²	43.1	17%	0.168	28%	0.284	C	S	.	.			trans	-104.4	84.5	-176	-177.5	65.8	0	0	0	110.8	C182 D183 P185 N516 W524	C182-L187 CarbonylContact C-O 3.5Å; C182-L187 VanDerWaalsContact CA-O 3.22Å; C182-L187 WeakPolarHBondContact CA-O 3.41Å; D183-L187 HydrophobicContact CB-CD2 4.24Å; D183-L187 PolarHBondContact N-O 2.71Å; P185-L187 PolarHBondContact O-N 2.76Å; L187-N516 HydrophobicContact CD1-CB 4.09Å; L187-N516 VanDerWaalsContact CD1-OD1 3.3Å; L187-N516 WeakPolarHBondContact CD1-OD1 3.43Å; L187-W524 HydrophobicContact CG-CH2 4.47Å
188	C	96.2	Very high	95.4	Very high	57 Å²	57	41.4 Å²	41.4	39%	0.385	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	152.9	-175.2	-60.5	0	0	0	0	111.9	S181 C182	S181-C188 CarbonylContact O-C 3.55Å; S181-C188 VanDerWaalsContact O-CA 3.31Å; S181-C188 WeakPolarHBondContact O-CA 3.49Å; C182-C188 HydrophobicContact CB-CB 4.07Å; C182-C188 WeakPolarHBondContact CB-SG 3.31Å; C182-C188 WeakPolarHBondContact SG-CB 3.36Å; C182-C188 CovalentContact SG-SG 2.04Å; C182-C188 PolarHBondContact SG-SG 3.32Å
189	G	97.4	Very high	95.4	Very high	7 Å²	7	38 Å²	38	7%	0.072	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	158	176.3	0	0	0	0	0	111.9	G180 S181 G522 W524	G180-G189 WeakPolarHBondContact CA-O 3.4Å; S181-G189 PolarHBondContact N-O 2.66Å; S181-G189 PolarHBondContact O-N 2.9Å; G189-G522 CarbonylContact C-O 3.6Å; G189-G522 WeakPolarHBondContact CA-O 3.27Å; G189-W524 PolarHBondContact O-NE1 2.86Å
190	Y	98.5	Very high	95.4	Very high	30 Å²	30	44.6 Å²	44.6	12%	0.118	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	134.2	176.5	-169.3	-92.8	0	0	0	111	T178 Y179 L192 V198 A199 W200 G522 A523 W524	T178-Y190 VanDerWaalsContact O-CD2 3.32Å; T178-Y190 WeakPolarHBondContact O-CD2 3.47Å; T178-Y190 VanDerWaalsContact O-CE2 3.22Å; T178-Y190 WeakPolarHBondContact O-CE2 3.4Å; Y179-Y190 AromaticContact CD2-CE2 3.76Å; Y179-Y190 HydrophobicContact CD2-CE2 3.76Å; Y179-Y190 AromaticContact CD2-CZ 3.77Å; Y179-Y190 WeakPolarHBondContact CD2-OH 3.32Å; Y179-Y190 HydrophobicContact CG-CE2 4.49Å; Y190-L192 HydrophobicContact CE1-CB 3.8Å; Y190-V198 HydrophobicContact CD1-CG1 3.46Å; Y190-V198 VanDerWaalsContact CD1-CG1 3.46Å; Y190-V198 HydrophobicContact CE1-CG1 3.77Å; Y190-A199 WeakPolarHBondContact CE1-O 3.31Å; Y190-A199 PolarHBondContact OH-O 3.11Å; Y190-W200 AromaticContact CD1-CE3 3.79Å; Y190-W200 HydrophobicContact CD1-CE3 3.79Å; Y190-W200 HydrophobicContact CD1-CH2 4.42Å; Y190-W200 AromaticContact CD1-CZ3 3.72Å; Y190-W200 HydrophobicContact CD1-CZ3 3.72Å; Y190-W200 HydrophobicContact CD2-CE3 4.23Å; Y190-W200 HydrophobicContact CD2-CZ3 4.01Å; Y190-W200 AromaticContact CE1-CE3 3.95Å; Y190-W200 HydrophobicContact CE1-CE3 3.95Å; Y190-W200 HydrophobicContact CE1-CZ3 4.35Å; Y190-W200 HydrophobicContact CE2-CE3 4.38Å; Y190-W200 AromaticContact CG-CE3 3.91Å; Y190-W200 HydrophobicContact CG-CE3 3.91Å; Y190-W200 HydrophobicContact CG-CH2 4.32Å; Y190-W200 AromaticContact CG-CZ3 3.5Å; Y190-W200 HydrophobicContact CG-CZ3 3.5Å; Y190-G522 PolarHBondContact N-O 3.45Å; Y190-A523 VanDerWaalsContact O-CA 3.3Å; Y190-A523 WeakPolarHBondContact O-CA 3.35Å; Y190-W524 PolarHBondContact O-N 3.09Å
191	D	98.6	Very high	95.3	Very high	0 Å²	0	47 Å²	47	0%	0	31%	0.31	C	S	.	.			trans	-136	75.6	-179.5	179.8	22.1	0	0	0	111.2	S169 L170 T171 V174 Y179 H193 W524	S169-D191 VanDerWaalsContact CA-OD1 3.31Å; S169-D191 WeakPolarHBondContact CA-OD1 3.49Å; S169-D191 WeakPolarHBondContact CB-O 3.38Å; S169-D191 WeakPolarHBondContact CB-OD2 3.25Å; L170-D191 VanDerWaalsContact N-CG 3.33Å; L170-D191 PolarHBondContact N-OD1 3.4Å; L170-D191 PolarHBondContact N-OD2 3.49Å; T171-D191 WeakPolarHBondContact CA-OD2 3.37Å; T171-D191 WeakPolarHBondContact CB-OD2 3.3Å; T171-D191 HydrophobicContact CG2-CB 4.32Å; T171-D191 VanDerWaalsContact CG2-OD2 3.24Å; T171-D191 WeakPolarHBondContact CG2-OD2 3.5Å; T171-D191 PolarHBondContact N-OD2 3.48Å; T171-D191 PolarHBondContact OG1-OD2 3.21Å; V174-D191 HydrophobicContact CG1-CB 3.81Å; V174-D191 WeakPolarHBondContact CG1-OD2 3.41Å; Y179-D191 PolarHBondContact O-N 3.01Å; D191-H193 IonicContact OD1-CD2 3.19Å; D191-H193 PolarHBondContact OD1-CD2 2.91Å; D191-H193 IonicContact OD1-NE2 3.6Å; D191-H193 PolarHBondContact OD1-NE2 3.33Å; D191-W524 HydrophobicContact CB-CB 4.44Å
192	L	98.7	Very high	95.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	32%	0.322	C	S	.	.			trans	-145.6	129	164.5	-176.2	71.9	0	0	0	108.9	F167 Y179 Y190 A199 R202 L210 Y211	F167-L192 HydrophobicContact CE1-CD1 4.33Å; F167-L192 HydrophobicContact CZ-CD1 4.28Å; F167-L192 HydrophobicContact CZ-CD2 4.15Å; F167-L192 HydrophobicContact CZ-CG 4.4Å; Y179-L192 HydrophobicContact CD1-CB 4.46Å; Y179-L192 HydrophobicContact CD1-CD2 4.19Å; Y179-L192 HydrophobicContact CD2-CB 4.1Å; Y179-L192 HydrophobicContact CD2-CD2 3.68Å; Y179-L192 HydrophobicContact CD2-CG 4.49Å; Y179-L192 HydrophobicContact CE1-CD2 4.18Å; Y179-L192 HydrophobicContact CE2-CD2 3.65Å; Y179-L192 HydrophobicContact CG-CB 3.85Å; Y179-L192 HydrophobicContact CG-CD2 3.94Å; Y179-L192 HydrophobicContact CG-CG 4.38Å; Y190-L192 HydrophobicContact CE1-CB 3.8Å; L192-A199 HydrophobicContact CD2-CB 4.39Å; L192-A199 HydrophobicContact CG-CB 4.18Å; L192-A199 PolarHBondContact O-N 3.4Å; L192-R202 HydrophobicContact CD2-CB 3.68Å; L192-R202 HydrophobicContact CD2-CG 3.73Å; L192-L210 HydrophobicContact CD2-CD2 4.03Å; L192-Y211 HydrophobicContact CD1-CE1 3.94Å
193	H	98.8	Very high	95.1	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.019	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	155.4	-170	-60.6	-95.1	0	0	0	112.3	Y166 F167 G168 D191 T197 W524	Y166-H193 HydrophobicContact CD1-CB 4.38Å; Y166-H193 HydrophobicContact CE1-CB 3.96Å; F167-H193 VanDerWaalsContact CA-O 3.3Å; F167-H193 WeakPolarHBondContact CA-O 3.46Å; F167-H193 VanDerWaalsContact CD2-O 3.3Å; F167-H193 WeakPolarHBondContact CD2-O 3.43Å; G168-H193 PolarHBondContact N-O 2.87Å; G168-H193 VanDerWaalsContact N-O 3.12Å; G168-H193 PolarHBondContact O-N 3.05Å; D191-H193 IonicContact OD1-CD2 3.19Å; D191-H193 PolarHBondContact OD1-CD2 2.91Å; D191-H193 IonicContact OD1-NE2 3.6Å; D191-H193 PolarHBondContact OD1-NE2 3.33Å; H193-T197 CarbonylContact C-O 3.57Å; H193-T197 WeakPolarHBondContact CA-O 3.43Å; H193-T197 WeakPolarHBondContact CB-O 3.48Å; H193-W524 PolarHBondContact CE1-O 2.92Å; H193-W524 PolarHBondContact NE2-O 3.04Å
194	E	98.5	Very high	95.3	Very high	60 Å²	60	50.9 Å²	50.9	28%	0.28	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	107.4	173.3	-174	154.1	-175.3	0	0	108.4	F167 E196 T197 A199 R202 R214	F167-E194 HydrophobicContact CD2-CB 3.86Å; F167-E194 HydrophobicContact CD2-CG 4Å; F167-E194 HydrophobicContact CE2-CB 4.27Å; E194-E196 PolarHBondContact O-N 3.28Å; E194-T197 PolarHBondContact N-O 2.8Å; E194-T197 PolarHBondContact O-N 3.3Å; E194-T197 PolarHBondContact O-OG1 3.01Å; E194-A199 HydrophobicContact CB-CB 3.98Å; E194-R202 IonicContact OE2-CZ 2.61Å; E194-R202 IonicContact OE2-NH2 2.75Å; E194-R202 PolarHBondContact OE2-NH2 3.13Å; E194-R214 IonicContact OE1-CZ 3.31Å; E194-R214 IonicContact OE1-NH1 3.54Å; E194-R214 PolarHBondContact OE1-NH1 3.28Å; E194-R214 IonicContact OE1-NH2 3.08Å; E194-R214 PolarHBondContact OE1-NH2 3.18Å; E194-R214 IonicContact OE2-CZ 2.69Å; E194-R214 IonicContact OE2-NH2 3.31Å; E194-R214 PolarHBondContact OE2-NH2 3.43Å
195	G	98.4	Very high	95.7	Very high	25 Å²	25	54.3 Å²	54.3	26%	0.258	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	-117.3	-162.9	0	0	0	0	0	111	Y166	Y166-G195 PolarHBondContact O-N 3.49Å
196	E	98.1	Very high	96.4	Very high	65 Å²	65	48.1 Å²	48.1	30%	0.304	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	2.6	179.5	-53.1	-164.6	153.2	0	0	113.3	L157 T159 R160 E194	L157-E196 HydrophobicContact CD1-CB 4.16Å; L157-E196 HydrophobicContact CD1-CG 4.02Å; T159-E196 WeakPolarHBondContact CB-OE1 3.15Å; T159-E196 HydrophobicContact CG2-CG 3.97Å; T159-E196 WeakPolarHBondContact OG1-CG 3.37Å; T159-E196 PolarHBondContact OG1-OE1 2.87Å; R160-E196 IonicContact CZ-OE1 2.67Å; R160-E196 IonicContact CZ-OE2 2.72Å; R160-E196 IonicContact NE-OE1 2.77Å; R160-E196 PolarHBondContact NE-OE1 3.03Å; R160-E196 IonicContact NE-OE2 2.83Å; R160-E196 IonicContact NH2-OE1 3Å; R160-E196 PolarHBondContact NH2-OE1 3.33Å; R160-E196 IonicContact NH2-OE2 3.32Å; R160-E196 PolarHBondContact NH2-OE2 3.37Å; E194-E196 PolarHBondContact O-N 3.28Å
197	T	98.1	Very high	97.1	Very high	96 Å²	96	44.3 Å²	44.3	59%	0.589	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	158	-179.7	64.5	0	0	0	0	111.8	H193 E194	H193-T197 CarbonylContact C-O 3.57Å; H193-T197 WeakPolarHBondContact CA-O 3.43Å; H193-T197 WeakPolarHBondContact CB-O 3.48Å; E194-T197 PolarHBondContact N-O 2.8Å; E194-T197 PolarHBondContact O-N 3.3Å; E194-T197 PolarHBondContact O-OG1 3.01Å
198	V	98.6	Very high	97.3	Very high	29 Å²	29	42.8 Å²	42.8	18%	0.176	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	123.3	176	-173.2	0	0	0	0	109.4	Y190 W200 A523 V525	Y190-V198 HydrophobicContact CD1-CG1 3.46Å; Y190-V198 VanDerWaalsContact CD1-CG1 3.46Å; Y190-V198 HydrophobicContact CE1-CG1 3.77Å; V198-W200 VanDerWaalsContact C-N 3.3Å; V198-W200 HydrophobicContact CB-CD2 4.39Å; V198-W200 HydrophobicContact CB-CZ2 4.21Å; V198-W200 HydrophobicContact CG1-CD2 3.69Å; V198-W200 VanDerWaalsContact CG1-CE2 3.47Å; V198-W200 HydrophobicContact CG1-CE3 4.09Å; V198-W200 HydrophobicContact CG1-CG 4.21Å; V198-W200 HydrophobicContact CG1-CH2 4.14Å; V198-W200 HydrophobicContact CG1-CZ2 3.72Å; V198-W200 HydrophobicContact CG1-CZ3 4.3Å; V198-W200 PolarHBondContact O-N 3.01Å; V198-A523 HydrophobicContact CG1-CB 4.1Å; V198-A523 HydrophobicContact CG2-CB 3.73Å; V198-V525 HydrophobicContact CG2-CG1 3.64Å
199	A	98.1	Very high	97.4	Very high	8 Å²	8	43.1 Å²	43.1	7%	0.066	26%	0.256	C	S	.	.			trans	-85.2	70.4	-178.5	0	0	0	0	0	110.7	F167 Y190 L192 E194 R202	F167-A199 HydrophobicContact CE2-CB 4.16Å; Y190-A199 WeakPolarHBondContact CE1-O 3.31Å; Y190-A199 PolarHBondContact OH-O 3.11Å; L192-A199 HydrophobicContact CD2-CB 4.39Å; L192-A199 HydrophobicContact CG-CB 4.18Å; L192-A199 PolarHBondContact O-N 3.4Å; E194-A199 HydrophobicContact CB-CB 3.98Å; A199-R202 HydrophobicContact CB-CG 4.35Å; A199-R202 VanDerWaalsContact O-CG 3.24Å; A199-R202 WeakPolarHBondContact O-CG 3.27Å
200	W	97.5	Very high	97.5	Very high	139 Å²	139	43.5 Å²	43.5	53%	0.527	26%	0.257	S	S	.	.			trans	-60.5	167.1	175.1	-59.1	116.5	0	0	0	113.1	Y190 V198 R202 A523	Y190-W200 AromaticContact CD1-CE3 3.79Å; Y190-W200 HydrophobicContact CD1-CE3 3.79Å; Y190-W200 HydrophobicContact CD1-CH2 4.42Å; Y190-W200 AromaticContact CD1-CZ3 3.72Å; Y190-W200 HydrophobicContact CD1-CZ3 3.72Å; Y190-W200 HydrophobicContact CD2-CE3 4.23Å; Y190-W200 HydrophobicContact CD2-CZ3 4.01Å; Y190-W200 AromaticContact CE1-CE3 3.95Å; Y190-W200 HydrophobicContact CE1-CE3 3.95Å; Y190-W200 HydrophobicContact CE1-CZ3 4.35Å; Y190-W200 HydrophobicContact CE2-CE3 4.38Å; Y190-W200 AromaticContact CG-CE3 3.91Å; Y190-W200 HydrophobicContact CG-CE3 3.91Å; Y190-W200 HydrophobicContact CG-CH2 4.32Å; Y190-W200 AromaticContact CG-CZ3 3.5Å; Y190-W200 HydrophobicContact CG-CZ3 3.5Å; V198-W200 VanDerWaalsContact C-N 3.3Å; V198-W200 HydrophobicContact CB-CD2 4.39Å; V198-W200 HydrophobicContact CB-CZ2 4.21Å; V198-W200 HydrophobicContact CG1-CD2 3.69Å; V198-W200 VanDerWaalsContact CG1-CE2 3.47Å; V198-W200 HydrophobicContact CG1-CE3 4.09Å; V198-W200 HydrophobicContact CG1-CG 4.21Å; V198-W200 HydrophobicContact CG1-CH2 4.14Å; V198-W200 HydrophobicContact CG1-CZ2 3.72Å; V198-W200 HydrophobicContact CG1-CZ3 4.3Å; V198-W200 PolarHBondContact O-N 3.01Å; W200-R202 PolarHBondContact O-N 3.27Å; W200-A523 HydrophobicContact CH2-CB 3.97Å; W200-A523 HydrophobicContact CZ2-CB 4.06Å
201	G	94.8	Very high	97.5	Very high	74 Å²	74	42.1 Å²	42.1	76%	0.763	25%	0.251	S	S	*	.	S	Bend	trans	67.3	18	173.2	0	0	0	0	0	115.1
202	R	95.6	Very high	97.5	Very high	79 Å²	79	42.3 Å²	42.3	30%	0.298	25%	0.252	S	S	.	.			trans	-93.7	-9.8	176.5	-57.9	-58.6	-168.5	-151.4	3.9	113.5	Y179 L192 E194 A199 W200 K205 L210	Y179-R202 HydrophobicContact CD2-CB 4.45Å; Y179-R202 HydrophobicContact CE2-CB 3.61Å; Y179-R202 PolarHBondContact OH-O 3.2Å; L192-R202 HydrophobicContact CD2-CB 3.68Å; L192-R202 HydrophobicContact CD2-CG 3.73Å; E194-R202 IonicContact OE2-CZ 2.61Å; E194-R202 IonicContact OE2-NH2 2.75Å; E194-R202 PolarHBondContact OE2-NH2 3.13Å; A199-R202 HydrophobicContact CB-CG 4.35Å; A199-R202 VanDerWaalsContact O-CG 3.24Å; A199-R202 WeakPolarHBondContact O-CG 3.27Å; W200-R202 PolarHBondContact O-N 3.27Å; R202-K205 WeakPolarHBondContact O-CB 3.44Å; R202-K205 WeakPolarHBondContact O-CG 3.28Å; R202-L210 HydrophobicContact CB-CD2 4.13Å; R202-L210 HydrophobicContact CG-CD2 4.45Å
203	G	93.3	Very high	97.5	Very high	47 Å²	47	48.4 Å²	48.4	49%	0.485	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	152.2	-170.4	0	0	0	0	0	115.4	Y177 K205	Y177-G203 CarbonylContact O-C 3.49Å; Y177-G203 VanDerWaalsContact O-CA 3.31Å; Y177-G203 WeakPolarHBondContact O-CA 3.43Å; G203-K205 VanDerWaalsContact C-N 3.25Å; G203-K205 PolarHBondContact O-N 3.04Å
204	G	94.8	Very high	97.5	Very high	60 Å²	60	50.4 Å²	50.4	62%	0.619	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	-4	-176.5	0	0	0	0	0	114.6	Y177	Y177-G204 PolarHBondContact O-N 2.94Å
205	K	96.3	Very high	97.5	Very high	110 Å²	110	47.6 Å²	47.6	48%	0.478	28%	0.275	S	S	.	.	S	Bend	trans	-100.5	129.2	179.1	-62.5	173.7	-176	172.3	0	110.3	Y179 R202 G203 S207 L210	Y179-K205 PolarHBondContact OH-O 2.93Å; R202-K205 WeakPolarHBondContact O-CB 3.44Å; R202-K205 WeakPolarHBondContact O-CG 3.28Å; G203-K205 VanDerWaalsContact C-N 3.25Å; G203-K205 PolarHBondContact O-N 3.04Å; K205-S207 PolarHBondContact O-N 3.08Å; K205-L210 HydrophobicContact CD-CD1 4.37Å
206	F	97.9	Very high	97.5	Very high	8 Å²	8	51.6 Å²	51.6	4%	0.035	28%	0.283	C	S	.	.			trans	-65.3	125.3	-179.2	-169.8	-110.8	0	0	0	111.6	Y176 Y177 T208 H209 L210 P245 L266 I269	Y176-F206 HydrophobicContact CD1-CD2 4.07Å; Y176-F206 HydrophobicContact CD1-CE1 4.17Å; Y176-F206 AromaticContact CD1-CE2 3.28Å; Y176-F206 HydrophobicContact CD1-CE2 3.28Å; Y176-F206 AromaticContact CD1-CZ 3.33Å; Y176-F206 HydrophobicContact CD1-CZ 3.33Å; Y176-F206 HydrophobicContact CE1-CE2 4.13Å; Y176-F206 AromaticContact CE1-CZ 3.76Å; Y176-F206 HydrophobicContact CE1-CZ 3.76Å; Y176-F206 HydrophobicContact CG-CD2 4.32Å; Y176-F206 AromaticContact CG-CE2 3.63Å; Y176-F206 HydrophobicContact CG-CE2 3.63Å; Y176-F206 HydrophobicContact CG-CZ 4.13Å; Y176-F206 CarbonylContact O-C 3.58Å; Y176-F206 WeakPolarHBondContact O-CA 3.37Å; Y177-F206 HydrophobicContact CD1-CB 4.37Å; Y177-F206 HydrophobicContact CD1-CD2 4.46Å; Y177-F206 HydrophobicContact CE1-CB 3.93Å; Y177-F206 AromaticContact CE1-CD2 3.84Å; Y177-F206 HydrophobicContact CE1-CD2 3.84Å; Y177-F206 HydrophobicContact CE1-CG 4.37Å; Y177-F206 AromaticContact CE2-CD2 3.92Å; Y177-F206 HydrophobicContact CE2-CD2 3.92Å; Y177-F206 HydrophobicContact CE2-CE2 4.36Å; Y177-F206 AromaticContact CZ-CD2 3.53Å; F206-T208 VanDerWaalsContact C-N 3.3Å; F206-T208 PolarHBondContact O-N 3.04Å; F206-H209 AromaticContact CD1-ND1 3.77Å; F206-H209 PolarHBondContact O-N 2.7Å; F206-L210 PolarHBondContact O-N 2.66Å; F206-P245 HydrophobicContact CD1-CG 4.49Å; F206-P245 HydrophobicContact CD2-CG 4.22Å; F206-P245 HydrophobicContact CG-CG 4.2Å; F206-L266 HydrophobicContact CE2-CD2 4.3Å; F206-L266 HydrophobicContact CZ-CD2 3.64Å; F206-I269 HydrophobicContact CD1-CD1 4.43Å; F206-I269 HydrophobicContact CD1-CG2 4.22Å; F206-I269 HydrophobicContact CE1-CB 4.38Å; F206-I269 HydrophobicContact CE1-CD1 3.63Å; F206-I269 HydrophobicContact CE1-CG2 3.82Å; F206-I269 HydrophobicContact CZ-CD1 3.87Å
207	S	97.8	Very high	97.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-53.9	-42.4	-169	69.4	0	0	0	0	113.2	Y176 K205 H209 L210 Y211 Q236	Y176-S207 WeakPolarHBondContact CD1-OG 3.36Å; Y176-S207 PolarHBondContact O-N 3.13Å; K205-S207 PolarHBondContact O-N 3.08Å; S207-H209 PolarHBondContact O-N 2.97Å; S207-L210 PolarHBondContact O-N 3.03Å; S207-Y211 WeakPolarHBondContact O-CB 3.33Å; S207-Y211 VanDerWaalsContact O-CD2 3.31Å; S207-Y211 WeakPolarHBondContact O-CD2 3.44Å; S207-Y211 PolarHBondContact O-N 2.94Å; S207-Q236 PolarHBondContact OG-OE1 3.41Å
208	T	98.3	Very high	97.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-66.6	-35.9	180	-54.7	0	0	0	0	112.5	F206 T212 L235 A237 I269 A273	F206-T208 VanDerWaalsContact C-N 3.3Å; F206-T208 PolarHBondContact O-N 3.04Å; T208-T212 WeakPolarHBondContact O-CB 3.38Å; T208-T212 PolarHBondContact O-N 3.39Å; T208-T212 PolarHBondContact O-OG1 3.18Å; T208-L235 HydrophobicContact CG2-CD1 4.4Å; T208-L235 HydrophobicContact CG2-CD2 4.22Å; T208-A237 HydrophobicContact CG2-CB 4.46Å; T208-I269 HydrophobicContact CG2-CG2 3.88Å; T208-A273 HydrophobicContact CG2-CB 4.01Å
209	H	98.3	Very high	97.6	Very high	65 Å²	65	49.3 Å²	49.3	30%	0.301	26%	0.262	S	S	.	.	H	α-helix	trans	-69.5	-39.8	174	-66.9	141.5	0	0	0	111.2	F206 S207 T212 Q213 Y248 E272	F206-H209 AromaticContact CD1-ND1 3.77Å; F206-H209 PolarHBondContact O-N 2.7Å; S207-H209 PolarHBondContact O-N 2.97Å; H209-T212 PolarHBondContact O-N 2.64Å; H209-Q213 WeakPolarHBondContact O-CB 3.37Å; H209-Q213 PolarHBondContact O-N 3.25Å; H209-Y248 AromaticContact CE1-CE2 3.99Å; H209-Y248 AromaticContact NE2-CZ 3.9Å; H209-Y248 PolarHBondContact NE2-OH 3.28Å; H209-Y248 VanDerWaalsContact NE2-OH 3.12Å; H209-E272 IonicContact NE2-OE1 3.17Å
210	L	97.9	Very high	97.6	Very high	15 Å²	15	51.5 Å²	51.5	8%	0.079	28%	0.276	C	S	.	.	H	α-helix	trans	-65.7	-42.2	177.6	-167.6	64.5	0	0	0	112	F167 Y179 L192 R202 K205 F206 S207 Q213 R214	F167-L210 HydrophobicContact CE1-CD2 4.01Å; F167-L210 HydrophobicContact CE1-CG 3.88Å; F167-L210 HydrophobicContact CZ-CD2 3.81Å; F167-L210 HydrophobicContact CZ-CG 4.01Å; Y179-L210 WeakPolarHBondContact OH-CD2 3.24Å; L192-L210 HydrophobicContact CD2-CD2 4.03Å; R202-L210 HydrophobicContact CB-CD2 4.13Å; R202-L210 HydrophobicContact CG-CD2 4.45Å; K205-L210 HydrophobicContact CD-CD1 4.37Å; F206-L210 PolarHBondContact O-N 2.66Å; S207-L210 PolarHBondContact O-N 3.03Å; L210-Q213 PolarHBondContact O-N 3.25Å; L210-R214 PolarHBondContact O-N 3.02Å
211	Y	98.8	Very high	97.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-62.7	-44.9	172.4	-63.2	-23	0	0	0	111.6	V144 F167 L192 S207 Q213 R214 V215 L235 Q236	V144-Y211 HydrophobicContact CG1-CD1 3.84Å; V144-Y211 HydrophobicContact CG1-CG 3.97Å; F167-Y211 AromaticContact CD1-CD1 3.99Å; F167-Y211 HydrophobicContact CD1-CD1 3.99Å; F167-Y211 HydrophobicContact CD1-CE1 4.22Å; F167-Y211 AromaticContact CE1-CD1 3.98Å; F167-Y211 HydrophobicContact CE1-CD1 3.98Å; F167-Y211 HydrophobicContact CE1-CE1 4.12Å; L192-Y211 HydrophobicContact CD1-CE1 3.94Å; S207-Y211 WeakPolarHBondContact O-CB 3.33Å; S207-Y211 VanDerWaalsContact O-CD2 3.31Å; S207-Y211 WeakPolarHBondContact O-CD2 3.44Å; S207-Y211 PolarHBondContact O-N 2.94Å; Y211-Q213 VanDerWaalsContact C-N 3.32Å; Y211-Q213 PolarHBondContact O-N 3.46Å; Y211-R214 WeakPolarHBondContact O-CB 3.27Å; Y211-R214 PolarHBondContact O-N 2.8Å; Y211-V215 WeakPolarHBondContact O-CG2 3.38Å; Y211-V215 PolarHBondContact O-N 3.02Å; Y211-L235 HydrophobicContact CD2-CD2 4.26Å; Y211-Q236 HydrophobicContact CE2-CB 4.49Å
212	T	98.7	Very high	97.7	Very high	4 Å²	4	47.9 Å²	47.9	3%	0.025	25%	0.253	C	S	.	.	H	α-helix	trans	-59.4	-41.8	174.6	-56.7	0	0	0	0	111.7	T208 H209 V215 R216 A273 N276	T208-T212 WeakPolarHBondContact O-CB 3.38Å; T208-T212 PolarHBondContact O-N 3.39Å; T208-T212 PolarHBondContact O-OG1 3.18Å; H209-T212 PolarHBondContact O-N 2.64Å; T212-V215 PolarHBondContact O-N 2.91Å; T212-R216 WeakPolarHBondContact O-CB 3.22Å; T212-R216 WeakPolarHBondContact O-CG 3.47Å; T212-R216 PolarHBondContact O-N 3.33Å; T212-A273 VanDerWaalsContact OG1-CB 3.24Å; T212-A273 WeakPolarHBondContact OG1-CB 3.24Å; T212-N276 HydrophobicContact CG2-CB 3.58Å
213	Q	98.5	Very high	97.7	Very high	128 Å²	128	47.3 Å²	47.3	60%	0.598	26%	0.256	S	S	*	.	H	α-helix	trans	-64.3	-40.1	176.3	-169.6	-178.5	19	0	0	111.9	H209 L210 Y211 R216 K217	H209-Q213 WeakPolarHBondContact O-CB 3.37Å; H209-Q213 PolarHBondContact O-N 3.25Å; L210-Q213 PolarHBondContact O-N 3.25Å; Y211-Q213 VanDerWaalsContact C-N 3.32Å; Y211-Q213 PolarHBondContact O-N 3.46Å; Q213-R216 PolarHBondContact O-N 2.97Å; Q213-K217 PolarHBondContact O-N 2.91Å
214	R	98.7	Very high	97.7	Very high	46 Å²	46	46.6 Å²	46.6	17%	0.174	24%	0.242	C	C	.	.	H	α-helix	trans	-61.2	-48.6	175.4	178.1	65.3	60.1	166.2	-1.4	111.9	V144 F167 E194 L210 Y211 R216 K217 I218	V144-R214 HydrophobicContact CG1-CB 3.99Å; V144-R214 HydrophobicContact CG1-CG 3.99Å; V144-R214 HydrophobicContact CG2-CB 4.38Å; V144-R214 HydrophobicContact CG2-CG 3.67Å; F167-R214 HydrophobicContact CB-CG 3.91Å; F167-R214 HydrophobicContact CD1-CB 4.07Å; F167-R214 HydrophobicContact CD1-CG 4Å; F167-R214 VanDerWaalsContact CE2-NH2 3.25Å; F167-R214 HydrophobicContact CG-CG 4.1Å; E194-R214 IonicContact OE1-CZ 3.31Å; E194-R214 IonicContact OE1-NH1 3.54Å; E194-R214 PolarHBondContact OE1-NH1 3.28Å; E194-R214 IonicContact OE1-NH2 3.08Å; E194-R214 PolarHBondContact OE1-NH2 3.18Å; E194-R214 IonicContact OE2-CZ 2.69Å; E194-R214 IonicContact OE2-NH2 3.31Å; E194-R214 PolarHBondContact OE2-NH2 3.43Å; L210-R214 PolarHBondContact O-N 3.02Å; Y211-R214 WeakPolarHBondContact O-CB 3.27Å; Y211-R214 PolarHBondContact O-N 2.8Å; R214-R216 VanDerWaalsContact C-N 3.33Å; R214-R216 PolarHBondContact O-N 2.87Å; R214-K217 PolarHBondContact O-N 3.3Å; R214-K217 VanDerWaalsContact O-N 3.17Å; R214-I218 HydrophobicContact CG-CD1 4.03Å; R214-I218 WeakPolarHBondContact O-CG1 3.44Å; R214-I218 PolarHBondContact O-N 2.81Å
215	V	98.9	Very high	97.6	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.006	24%	0.236	C	C	.	.	H	α-helix	trans	-60.1	-45	177.1	176.7	0	0	0	0	110.7	V144 Y211 T212 K217 I218 L219 M231 L233 V277	V144-V215 HydrophobicContact CB-CG2 4.05Å; V144-V215 HydrophobicContact CG1-CG2 4.29Å; V144-V215 HydrophobicContact CG2-CG2 3.84Å; Y211-V215 WeakPolarHBondContact O-CG2 3.38Å; Y211-V215 PolarHBondContact O-N 3.02Å; T212-V215 PolarHBondContact O-N 2.91Å; V215-K217 VanDerWaalsContact C-N 3.31Å; V215-K217 PolarHBondContact O-N 3.09Å; V215-I218 PolarHBondContact O-N 3.48Å; V215-L219 HydrophobicContact CG1-CD1 3.97Å; V215-L219 HydrophobicContact CG1-CG 4.37Å; V215-L219 WeakPolarHBondContact O-CG 3.42Å; V215-L219 PolarHBondContact O-N 3.07Å; V215-M231 HydrophobicContact CB-SD 4.47Å; V215-M231 HydrophobicContact CG1-CE 4.19Å; V215-M231 HydrophobicContact CG1-CG 4.08Å; V215-M231 HydrophobicContact CG1-SD 4.17Å; V215-M231 HydrophobicContact CG2-CG 4.33Å; V215-M231 HydrophobicContact CG2-SD 3.81Å; V215-L233 HydrophobicContact CG2-CD1 3.82Å; V215-L233 HydrophobicContact CG2-CD2 4.24Å; V215-L233 HydrophobicContact CG2-CG 4.41Å; V215-V277 HydrophobicContact CB-CG2 4.27Å; V215-V277 HydrophobicContact CG1-CG1 4.23Å; V215-V277 HydrophobicContact CG1-CG2 3.82Å
216	R	98.8	Very high	97.5	Very high	110 Å²	110	52 Å²	52	42%	0.415	25%	0.252	S	S	.	.	H	α-helix	trans	-60.2	-37.6	175.5	-74.2	179.3	60.2	-170.6	-2.7	113	T212 Q213 R214 S220 A280	T212-R216 WeakPolarHBondContact O-CB 3.22Å; T212-R216 WeakPolarHBondContact O-CG 3.47Å; T212-R216 PolarHBondContact O-N 3.33Å; Q213-R216 PolarHBondContact O-N 2.97Å; R214-R216 VanDerWaalsContact C-N 3.33Å; R214-R216 PolarHBondContact O-N 2.87Å; R216-S220 WeakPolarHBondContact O-CB 3.37Å; R216-S220 PolarHBondContact O-N 2.66Å; R216-S220 VanDerWaalsContact O-N 3.16Å; R216-S220 PolarHBondContact O-OG 2.83Å; R216-A280 HydrophobicContact CG-CB 4.05Å
217	K	98.6	Very high	97.4	Very high	126 Å²	126	55.1 Å²	55.1	55%	0.548	27%	0.267	S	S	.	.	H	α-helix	trans	-63.3	-50.5	174.5	-175.1	177.8	177.4	-177.9	0	110.7	Q213 R214 V215 L219 S220 T221	Q213-K217 PolarHBondContact O-N 2.91Å; R214-K217 PolarHBondContact O-N 3.3Å; R214-K217 VanDerWaalsContact O-N 3.17Å; V215-K217 VanDerWaalsContact C-N 3.31Å; V215-K217 PolarHBondContact O-N 3.09Å; K217-L219 PolarHBondContact O-N 2.9Å; K217-S220 WeakPolarHBondContact CA-OG 3.3Å; K217-S220 WeakPolarHBondContact O-CA 3.45Å; K217-S220 PolarHBondContact O-N 3.02Å; K217-S220 PolarHBondContact O-OG 2.86Å; K217-T221 PolarHBondContact O-N 3.16Å; K217-T221 VanDerWaalsContact O-N 3.16Å; K217-T221 PolarHBondContact O-OG1 3.1Å
218	I	98.7	Very high	97.4	Very high	16 Å²	16	56.3 Å²	56.3	8%	0.082	27%	0.274	C	S	.	.	H	α-helix	trans	-58.1	-49.1	-179	-64.7	162.9	0	0	0	110.6	H142 V144 R214 V215 S220 T221 H222 L229 M231	H142-I218 HydrophobicContact CB-CD1 4.13Å; V144-I218 HydrophobicContact CG2-CD1 4.17Å; R214-I218 HydrophobicContact CG-CD1 4.03Å; R214-I218 WeakPolarHBondContact O-CG1 3.44Å; R214-I218 PolarHBondContact O-N 2.81Å; V215-I218 PolarHBondContact O-N 3.48Å; I218-S220 PolarHBondContact O-N 3.4Å; I218-S220 VanDerWaalsContact O-N 3.16Å; I218-T221 PolarHBondContact O-N 2.99Å; I218-T221 VanDerWaalsContact O-N 3.1Å; I218-T221 PolarHBondContact O-OG1 3.43Å; I218-H222 WeakPolarHBondContact O-CB 3.41Å; I218-H222 PolarHBondContact O-N 3.07Å; I218-L229 HydrophobicContact CG2-CD1 4.12Å; I218-M231 HydrophobicContact CB-CE 3.98Å; I218-M231 HydrophobicContact CD1-CE 3.92Å; I218-M231 HydrophobicContact CG2-CE 3.69Å
219	L	98.6	Very high	97.4	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.5	-18.6	176.5	-66.4	175.5	0	0	0	114	V215 K217 L229 A280 L281 Y284 Y286	V215-L219 HydrophobicContact CG1-CD1 3.97Å; V215-L219 HydrophobicContact CG1-CG 4.37Å; V215-L219 WeakPolarHBondContact O-CG 3.42Å; V215-L219 PolarHBondContact O-N 3.07Å; K217-L219 PolarHBondContact O-N 2.9Å; L219-L229 HydrophobicContact CD2-CD2 4.26Å; L219-A280 HydrophobicContact CD1-CB 3.96Å; L219-L281 HydrophobicContact CD1-CD2 3.73Å; L219-L281 HydrophobicContact CD1-CG 4.03Å; L219-L281 HydrophobicContact CD2-CD2 3.79Å; L219-L281 HydrophobicContact CG-CD2 4.44Å; L219-Y284 HydrophobicContact CB-CD2 4.42Å; L219-Y284 WeakPolarHBondContact O-CB 3.36Å; L219-Y286 HydrophobicContact CB-CE2 4.2Å; L219-Y286 HydrophobicContact CD2-CD1 3.96Å; L219-Y286 HydrophobicContact CD2-CD2 4.1Å; L219-Y286 HydrophobicContact CD2-CE1 3.75Å; L219-Y286 HydrophobicContact CD2-CE2 3.95Å; L219-Y286 HydrophobicContact CD2-CG 4.14Å; L219-Y286 VanDerWaalsContact O-CE2 3.25Å; L219-Y286 WeakPolarHBondContact O-CE2 3.44Å; L219-Y286 PolarHBondContact O-OH 3.21Å
220	S	98.3	Very high	97.4	Very high	53 Å²	53	53.3 Å²	53.3	37%	0.371	26%	0.26	S	S	.	.	H	α-helix	trans	-92.6	-10.3	176	71.2	0	0	0	0	114.5	R216 K217 I218 Y284	R216-S220 WeakPolarHBondContact O-CB 3.37Å; R216-S220 PolarHBondContact O-N 2.66Å; R216-S220 VanDerWaalsContact O-N 3.16Å; R216-S220 PolarHBondContact O-OG 2.83Å; K217-S220 WeakPolarHBondContact CA-OG 3.3Å; K217-S220 WeakPolarHBondContact O-CA 3.45Å; K217-S220 PolarHBondContact O-N 3.02Å; K217-S220 PolarHBondContact O-OG 2.86Å; I218-S220 PolarHBondContact O-N 3.4Å; I218-S220 VanDerWaalsContact O-N 3.16Å; S220-Y284 VanDerWaalsContact CB-CZ 3.44Å
221	T	97.3	Very high	97.5	Very high	105 Å²	105	52.6 Å²	52.6	64%	0.644	26%	0.256	S	S	*	.	H	α-helix	trans	-118.5	-19.2	-177.9	55.4	0	0	0	0	113.8	K217 I218	K217-T221 PolarHBondContact O-N 3.16Å; K217-T221 VanDerWaalsContact O-N 3.16Å; K217-T221 PolarHBondContact O-OG1 3.1Å; I218-T221 PolarHBondContact O-N 2.99Å; I218-T221 VanDerWaalsContact O-N 3.1Å; I218-T221 PolarHBondContact O-OG1 3.43Å
222	H	97.1	Very high	97.5	Very high	33 Å²	33	52.8 Å²	52.8	15%	0.153	26%	0.257	C	S	.	.	S	Bend	trans	-83.7	145	172.1	-178.6	93.3	0	0	0	110.4	A140 I218 Q227 L229 Y286	A140-H222 WeakPolarHBondContact CB-CE1 3.21Å; I218-H222 WeakPolarHBondContact O-CB 3.41Å; I218-H222 PolarHBondContact O-N 3.07Å; H222-Q227 PolarHBondContact NE2-O 3.42Å; H222-L229 HydrophobicContact CB-CD1 3.96Å; H222-Y286 VanDerWaalsContact C-OH 3.3Å; H222-Y286 VanDerWaalsContact CB-OH 3.29Å; H222-Y286 WeakPolarHBondContact CB-OH 3.36Å; H222-Y286 AromaticContact CD2-CE1 3.97Å; H222-Y286 PolarHBondContact CD2-OH 2.86Å; H222-Y286 VanDerWaalsContact CD2-OH 3.31Å; H222-Y286 PolarHBondContact O-OH 2.96Å
223	D	95.3	Very high	97.5	Very high	67 Å²	67	52.6 Å²	52.6	36%	0.358	26%	0.256	S	S	.	.			trans	-96.4	109.5	178.1	-175.2	-20.1	0	0	0	110.3	S225 R226	D223-S225 PolarHBondContact O-N 3.2Å; D223-S225 WeakPolarHBondContact OD1-CB 3.48Å; D223-S225 PolarHBondContact OD1-N 3.18Å; D223-S225 PolarHBondContact OD1-OG 2.78Å; D223-R226 HydrophobicContact CB-CB 4.36Å; D223-R226 HydrophobicContact CB-CG 4.4Å; D223-R226 PolarHBondContact O-N 3.24Å; D223-R226 WeakPolarHBondContact OD2-CD 3.47Å; D223-R226 VanDerWaalsContact OD2-CG 3.29Å; D223-R226 WeakPolarHBondContact OD2-CG 3.4Å
224	P	94.4	Very high	97.5	Very high	31 Å²	31	46.5 Å²	46.5	20%	0.201	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-21.6	-178	30.3	-37.4	0	0	0	113.4	H47 Y286	H47-P224 PolarHBondContact CE1-O 3.21Å; P224-Y286 HydrophobicContact CB-CD1 3.91Å; P224-Y286 HydrophobicContact CB-CD2 4.3Å; P224-Y286 HydrophobicContact CB-CE1 3.83Å; P224-Y286 HydrophobicContact CB-CE2 4.18Å; P224-Y286 HydrophobicContact CB-CG 4.13Å; P224-Y286 HydrophobicContact CG-CD2 4.5Å; P224-Y286 HydrophobicContact CG-CE2 4.22Å
225	S	92.6	Very high	97.5	Very high	71 Å²	71	44.3 Å²	44.3	50%	0.497	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-23.4	-176.5	71.4	0	0	0	0	113.2	Q44 D223	Q44-S225 PolarHBondContact NE2-O 2.82Å; D223-S225 PolarHBondContact O-N 3.2Å; D223-S225 WeakPolarHBondContact OD1-CB 3.48Å; D223-S225 PolarHBondContact OD1-N 3.18Å; D223-S225 PolarHBondContact OD1-OG 2.78Å
226	R	94.1	Very high	97.4	Very high	212 Å²	212	44.3 Å²	44.3	80%	0.8	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-26.2	-172.9	-63.4	-179	75.1	169.1	5.1	114.1	D223	D223-R226 HydrophobicContact CB-CB 4.36Å; D223-R226 HydrophobicContact CB-CG 4.4Å; D223-R226 PolarHBondContact O-N 3.24Å; D223-R226 WeakPolarHBondContact OD2-CD 3.47Å; D223-R226 VanDerWaalsContact OD2-CG 3.29Å; D223-R226 WeakPolarHBondContact OD2-CG 3.4Å
227	Q	95.8	Very high	97.3	Very high	75 Å²	75	39.1 Å²	39.1	35%	0.35	20%	0.2	S	C	.	.	S	Bend	trans	-152.5	133.6	-178.1	-164.9	-179.1	16.7	0	0	111.8	G138 H222	G138-Q227 WeakPolarHBondContact O-CG 3.45Å; G138-Q227 PolarHBondContact O-NE2 2.84Å; H222-Q227 PolarHBondContact NE2-O 3.42Å
228	P	97.8	Very high	97.3	Very high	24 Å²	24	33.1 Å²	33.1	16%	0.156	17%	0.174	C	C	.	.			trans	-67.2	156.5	171.6	30.9	-35.6	0	0	0	110.9	P45 Y139 A140	P45-P228 HydrophobicContact CB-CB 4.26Å; P45-P228 HydrophobicContact CB-CG 4.32Å; P45-P228 WeakPolarHBondContact O-CB 3.3Å; Y139-P228 WeakPolarHBondContact CA-O 3.21Å; Y139-P228 HydrophobicContact CD1-CB 3.98Å; Y139-P228 HydrophobicContact CD1-CG 4.35Å; Y139-P228 HydrophobicContact CD2-CB 4.05Å; Y139-P228 HydrophobicContact CD2-CG 3.61Å; Y139-P228 HydrophobicContact CE1-CB 3.77Å; Y139-P228 HydrophobicContact CE1-CG 4.41Å; Y139-P228 HydrophobicContact CE2-CB 3.82Å; Y139-P228 HydrophobicContact CE2-CG 3.66Å; Y139-P228 HydrophobicContact CG-CB 4.1Å; Y139-P228 HydrophobicContact CG-CG 3.95Å; A140-P228 PolarHBondContact N-O 3.1Å
229	L	98.1	Very high	97.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	131.2	-169.5	178.1	142.9	0	0	0	111.2	H47 I48 I49 A140 I218 L219 H222 M231 Y286	H47-L229 CarbonylContact C-O 3.58Å; H47-L229 VanDerWaalsContact CA-O 3.29Å; H47-L229 WeakPolarHBondContact CA-O 3.45Å; H47-L229 PolarHBondContact ND1-N 2.79Å; I48-L229 PolarHBondContact N-O 3.27Å; I49-L229 HydrophobicContact CD1-CD2 4.05Å; A140-L229 CarbonylContact O-C 3.51Å; A140-L229 WeakPolarHBondContact O-CA 3.49Å; I218-L229 HydrophobicContact CG2-CD1 4.12Å; L219-L229 HydrophobicContact CD2-CD2 4.26Å; H222-L229 HydrophobicContact CB-CD1 3.96Å; L229-M231 HydrophobicContact CD2-CB 3.93Å; L229-M231 HydrophobicContact CD2-CE 4.31Å; L229-Y286 HydrophobicContact CB-CE1 4.45Å; L229-Y286 HydrophobicContact CD1-CE1 4.39Å
230	F	98.9	Very high	97	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.009	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	115.4	170.3	175.5	-134.3	0	0	0	109.5	I48 F50 L130 P131 L134 Y139 A140 T141 H142 F163 F232	I48-F230 HydrophobicContact CB-CD2 3.9Å; I48-F230 HydrophobicContact CG2-CD2 3.57Å; I48-F230 HydrophobicContact CG2-CE2 3.85Å; I48-F230 CarbonylContact O-C 3.53Å; I48-F230 WeakPolarHBondContact O-CA 3.48Å; F50-F230 HydrophobicContact CB-CE2 4.07Å; L130-F230 HydrophobicContact CD2-CZ 4.13Å; P131-F230 HydrophobicContact CB-CD1 4.17Å; P131-F230 HydrophobicContact CB-CE1 4.01Å; L134-F230 HydrophobicContact CD1-CB 3.91Å; L134-F230 HydrophobicContact CD1-CD1 3.52Å; L134-F230 HydrophobicContact CD1-CD2 3.95Å; L134-F230 HydrophobicContact CD1-CE1 3.94Å; L134-F230 HydrophobicContact CD1-CE2 4.34Å; L134-F230 HydrophobicContact CD1-CG 3.52Å; L134-F230 HydrophobicContact CD1-CZ 4.33Å; Y139-F230 HydrophobicContact CD1-CB 4.05Å; A140-F230 PolarHBondContact O-N 3.39Å; T141-F230 HydrophobicContact CG2-CB 4.25Å; T141-F230 HydrophobicContact CG2-CD1 4.24Å; H142-F230 PolarHBondContact N-O 3.02Å; F163-F230 AromaticContact CE1-CD1 3.95Å; F163-F230 HydrophobicContact CE1-CD1 3.95Å; F163-F230 AromaticContact CE1-CE1 3.59Å; F163-F230 HydrophobicContact CE1-CE1 3.59Å; F163-F230 HydrophobicContact CZ-CE1 4.03Å; F230-F232 HydrophobicContact CE1-CB 4.29Å; F230-F232 HydrophobicContact CE2-CB 4.45Å; F230-F232 HydrophobicContact CZ-CB 3.96Å
231	M	98.9	Very high	97	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	112.9	172.9	-175.7	61.2	60	0	0	109.3	I48 I49 F50 H142 V144 V215 I218 L229	I48-M231 PolarHBondContact O-N 2.88Å; I49-M231 HydrophobicContact CD1-CB 3.69Å; F50-M231 PolarHBondContact N-O 3.46Å; H142-M231 HydrophobicContact CB-CE 3.72Å; H142-M231 HydrophobicContact CB-SD 4Å; V144-M231 HydrophobicContact CG2-SD 4.01Å; V215-M231 HydrophobicContact CB-SD 4.47Å; V215-M231 HydrophobicContact CG1-CE 4.19Å; V215-M231 HydrophobicContact CG1-CG 4.08Å; V215-M231 HydrophobicContact CG1-SD 4.17Å; V215-M231 HydrophobicContact CG2-CG 4.33Å; V215-M231 HydrophobicContact CG2-SD 3.81Å; I218-M231 HydrophobicContact CB-CE 3.98Å; I218-M231 HydrophobicContact CD1-CE 3.92Å; I218-M231 HydrophobicContact CG2-CE 3.69Å; L229-M231 HydrophobicContact CD2-CB 3.93Å; L229-M231 HydrophobicContact CD2-CE 4.31Å
232	F	98.9	Very high	96.9	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.018	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	94.3	167.7	-176.7	-139.8	0	0	0	109.4	F50 L52 L99 I100 H142 M143 V144 F163 F230 S234	F50-F232 HydrophobicContact CB-CD2 4.29Å; F50-F232 HydrophobicContact CD1-CD2 4.03Å; F50-F232 HydrophobicContact CD1-CE2 4Å; F50-F232 HydrophobicContact CG-CD2 4.46Å; L52-F232 HydrophobicContact CB-CE2 3.84Å; L52-F232 HydrophobicContact CB-CZ 4.46Å; L52-F232 HydrophobicContact CD2-CE2 3.98Å; L52-F232 HydrophobicContact CD2-CZ 3.83Å; L99-F232 HydrophobicContact CD2-CE2 3.69Å; L99-F232 HydrophobicContact CD2-CZ 3.89Å; I100-F232 HydrophobicContact CD1-CD1 4.48Å; I100-F232 HydrophobicContact CD1-CE1 4.23Å; H142-F232 PolarHBondContact O-N 3.04Å; M143-F232 WeakPolarHBondContact CA-O 3.37Å; M143-F232 HydrophobicContact CB-CD1 4.48Å; M143-F232 HydrophobicContact CE-CD1 3.75Å; M143-F232 HydrophobicContact CE-CE1 3.57Å; M143-F232 HydrophobicContact CG-CD1 3.83Å; M143-F232 HydrophobicContact SD-CD1 3.7Å; M143-F232 HydrophobicContact SD-CE1 4Å; V144-F232 PolarHBondContact N-O 3.07Å; F163-F232 HydrophobicContact CE1-CB 3.85Å; F163-F232 HydrophobicContact CE1-CD1 4.45Å; F163-F232 HydrophobicContact CE2-CD1 4.38Å; F163-F232 HydrophobicContact CZ-CB 3.94Å; F163-F232 AromaticContact CZ-CD1 3.71Å; F163-F232 HydrophobicContact CZ-CD1 3.71Å; F163-F232 HydrophobicContact CZ-CG 4.24Å; F230-F232 HydrophobicContact CE1-CB 4.29Å; F230-F232 HydrophobicContact CE2-CB 4.45Å; F230-F232 HydrophobicContact CZ-CB 3.96Å; F232-S234 PolarHBondContact O-N 3.02Å
233	L	98.9	Very high	96.9	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	91.9	174.2	179.6	55.3	0	0	0	108.9	F50 I51 L52 V144 V215 L235 V277	F50-L233 PolarHBondContact O-N 2.82Å; I51-L233 WeakPolarHBondContact CA-O 3.32Å; I51-L233 HydrophobicContact CG1-CB 4.31Å; I51-L233 HydrophobicContact CG1-CD2 4.39Å; L52-L233 PolarHBondContact N-O 3.3Å; V144-L233 HydrophobicContact CB-CD1 4.07Å; V144-L233 HydrophobicContact CG1-CD1 4.19Å; V215-L233 HydrophobicContact CG2-CD1 3.82Å; V215-L233 HydrophobicContact CG2-CD2 4.24Å; V215-L233 HydrophobicContact CG2-CG 4.41Å; L233-L235 HydrophobicContact CD1-CD2 3.59Å; L233-L235 HydrophobicContact CD1-CG 4.31Å; L233-L235 HydrophobicContact CD2-CD2 4.3Å; L233-L235 HydrophobicContact CG-CD2 3.87Å; L233-L235 HydrophobicContact CG-CG 4.09Å; L233-L235 PolarHBondContact O-N 3.15Å; L233-V277 HydrophobicContact CD2-CG2 4.05Å
234	S	98.8	Very high	96.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	81.7	-176.3	-172.8	0	0	0	0	109.6	L52 R96 V144 G145 K146 F232	L52-S234 CarbonylContact O-C 3.53Å; R96-S234 PolarHBondContact NH1-OG 3.43Å; V144-S234 PolarHBondContact O-N 3.09Å; G145-S234 CarbonylContact C-O 3.38Å; G145-S234 VanDerWaalsContact CA-O 3.24Å; G145-S234 WeakPolarHBondContact CA-O 3.45Å; K146-S234 PolarHBondContact N-O 3.46Å; K146-S234 WeakPolarHBondContact O-CB 3.37Å; K146-S234 PolarHBondContact O-OG 3.45Å; F232-S234 PolarHBondContact O-N 3.02Å
235	L	98.7	Very high	96.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.15	C	C	.	.			trans	-65.3	147.1	-176.5	-63.8	-178.4	0	0	0	111.4	L52 T53 D54 T208 Y211 L233 A237 V270	L52-L235 PolarHBondContact O-N 3.5Å; T53-L235 HydrophobicContact CG2-CD1 4.37Å; D54-L235 WeakPolarHBondContact CB-O 3.38Å; T208-L235 HydrophobicContact CG2-CD1 4.4Å; T208-L235 HydrophobicContact CG2-CD2 4.22Å; Y211-L235 HydrophobicContact CD2-CD2 4.26Å; L233-L235 HydrophobicContact CD1-CD2 3.59Å; L233-L235 HydrophobicContact CD1-CG 4.31Å; L233-L235 HydrophobicContact CD2-CD2 4.3Å; L233-L235 HydrophobicContact CG-CD2 3.87Å; L233-L235 HydrophobicContact CG-CG 4.09Å; L233-L235 PolarHBondContact O-N 3.15Å; L235-A237 HydrophobicContact CB-CB 4.39Å; L235-V270 HydrophobicContact CD1-CB 4.5Å; L235-V270 HydrophobicContact CD1-CG1 4.1Å; L235-V270 HydrophobicContact CD1-CG2 4.1Å
236	Q	96.5	Very high	96.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.166	C	C	.	.			trans	-78.9	-26.3	162.7	-174.3	-156.7	-11.2	0	0	111	D54 V174 Y176 S207 Y211 V238 H239	D54-Q236 WeakPolarHBondContact CB-O 3.33Å; V174-Q236 PolarHBondContact O-NE2 3.35Å; Y176-Q236 HydrophobicContact CE1-CG 4.48Å; Y176-Q236 VanDerWaalsContact CE2-NE2 3.27Å; Y176-Q236 PolarHBondContact OH-O 2.78Å; S207-Q236 PolarHBondContact OG-OE1 3.41Å; Y211-Q236 HydrophobicContact CE2-CB 4.49Å; Q236-V238 PolarHBondContact O-N 3.21Å; Q236-H239 VanDerWaalsContact O-CB 3.28Å; Q236-H239 WeakPolarHBondContact O-CB 3.45Å; Q236-H239 PolarHBondContact O-N 3.2Å
237	A	97.6	Very high	96.9	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.008	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	128	172.6	0	0	0	0	0	108.9	T53 D54 Y176 T208 L235 V270	T53-A237 WeakPolarHBondContact CB-O 3.38Å; D54-A237 PolarHBondContact N-O 3.41Å; Y176-A237 WeakPolarHBondContact OH-CA 3.34Å; T208-A237 HydrophobicContact CG2-CB 4.46Å; L235-A237 HydrophobicContact CB-CB 4.39Å; A237-V270 HydrophobicContact CB-CG2 3.46Å; A237-V270 VanDerWaalsContact CB-CG2 3.46Å
238	V	97.4	Very high	96.9	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	cis	-118.3	24.9	18.9	-63.7	0	0	0	0	113.9	D54 Q56 Q236 Y263 L266 V267 V270	D54-V238 CarbonylContact O-C 3.37Å; D54-V238 WeakPolarHBondContact O-CG2 3.29Å; D54-V238 PolarHBondContact O-N 3.02Å; Q56-V238 HydrophobicContact CB-CG2 3.97Å; Q56-V238 HydrophobicContact CG-CG2 4.39Å; Q236-V238 PolarHBondContact O-N 3.21Å; V238-Y263 HydrophobicContact CB-CD2 4.44Å; V238-Y263 HydrophobicContact CB-CE2 4.01Å; V238-Y263 HydrophobicContact CG2-CD2 4.35Å; V238-Y263 HydrophobicContact CG2-CE1 4.18Å; V238-Y263 HydrophobicContact CG2-CE2 3.48Å; V238-Y263 VanDerWaalsContact CG2-CE2 3.48Å; V238-Y263 VanDerWaalsContact CG2-OH 3.27Å; V238-Y263 WeakPolarHBondContact CG2-OH 3.43Å; V238-L266 HydrophobicContact CB-CB 4.06Å; V238-L266 HydrophobicContact CG1-CB 3.79Å; V238-V267 HydrophobicContact CB-CG2 4.36Å; V238-V267 HydrophobicContact CG1-CB 4.31Å; V238-V267 HydrophobicContact CG1-CG2 3.73Å; V238-V267 HydrophobicContact CG2-CG2 4.32Å; V238-V270 HydrophobicContact CG1-CG2 3.87Å
239	H	97.7	Very high	96.8	Very high	19 Å²	19	28 Å²	28	9%	0.088	15%	0.152	C	C	.	.	S	Bend	trans	-61.4	159.2	179.7	-165.6	-77	0	0	0	112.6	D54 D55 Y176 Q236 K315	D54-H239 HydrophobicContact CB-CB 3.94Å; D54-H239 PolarHBondContact O-N 2.84Å; D54-H239 VanDerWaalsContact O-N 3.13Å; D54-H239 IonicContact OD1-CD2 3.79Å; D54-H239 WeakPolarHBondContact OD2-CB 3.46Å; D54-H239 IonicContact OD2-CD2 3.8Å; D54-H239 IonicContact OD2-CG 2.66Å; D55-H239 VanDerWaalsContact CG-CD2 3.42Å; D55-H239 IonicContact OD1-CD2 3.6Å; D55-H239 PolarHBondContact OD1-CD2 2.9Å; D55-H239 IonicContact OD2-CD2 2.59Å; D55-H239 PolarHBondContact OD2-CD2 3.39Å; D55-H239 VanDerWaalsContact OD2-CD2 3.31Å; D55-H239 IonicContact OD2-CG 2.69Å; D55-H239 IonicContact OD2-NE2 2.77Å; Y176-H239 WeakPolarHBondContact CE2-O 3.3Å; Y176-H239 PolarHBondContact OH-O 2.69Å; Q236-H239 VanDerWaalsContact O-CB 3.28Å; Q236-H239 WeakPolarHBondContact O-CB 3.45Å; Q236-H239 PolarHBondContact O-N 3.2Å; H239-K315 PolarHBondContact CD2-NZ 2.62Å; H239-K315 PolarHBondContact NE2-NZ 3.24Å
240	T	95.1	Very high	96.6	Very high	44 Å²	44	35.2 Å²	35.2	27%	0.27	18%	0.18	S	C	.	.	S	Bend	trans	-59.7	154.1	170.7	43.9	0	0	0	0	112.7	L242 T304	T240-L242 HydrophobicContact CG2-CG 4.41Å; T240-T304 HydrophobicContact CG2-CG2 3.44Å; T240-T304 VanDerWaalsContact CG2-CG2 3.44Å
241	P	96.8	Very high	96.4	Very high	45 Å²	45	37.3 Å²	37.3	29%	0.292	19%	0.194	S	C	.	.	S	Bend	cis	-78.8	149.7	2.1	32.8	-36.6	0	0	0	114.3	V174 Y176 Q243	V174-P241 VanDerWaalsContact O-CD 3.22Å; V174-P241 WeakPolarHBondContact O-CD 3.35Å; Y176-P241 HydrophobicContact CD2-CG 4.26Å; Y176-P241 WeakPolarHBondContact CD2-O 3.33Å; Y176-P241 WeakPolarHBondContact CE2-O 3.3Å; P241-Q243 HydrophobicContact CB-CG 4.01Å; P241-Q243 VanDerWaalsContact CG-CD 3.49Å; P241-Q243 HydrophobicContact CG-CG 3.97Å; P241-Q243 PolarHBondContact O-N 2.92Å
242	L	96.3	Very high	96.2	Very high	28 Å²	28	37.7 Å²	37.7	15%	0.147	20%	0.196	C	C	.	.			trans	-78.4	85.7	-175.3	-59.1	179.8	0	0	0	112.4	T240 A259 K262 Y263 L266 T304	T240-L242 HydrophobicContact CG2-CG 4.41Å; L242-A259 HydrophobicContact CD1-CB 3.82Å; L242-K262 HydrophobicContact CB-CB 4.01Å; L242-K262 HydrophobicContact CB-CD 4.09Å; L242-K262 WeakPolarHBondContact O-CD 3.25Å; L242-K262 PolarHBondContact O-NZ 3.13Å; L242-Y263 HydrophobicContact CD2-CD2 4.27Å; L242-L266 HydrophobicContact CD2-CD1 3.88Å; L242-T304 WeakPolarHBondContact CD1-O 3.37Å
243	Q	96.1	Very high	95.8	Very high	52 Å²	52	44.2 Å²	44.2	24%	0.243	22%	0.22	C	C	.	.			trans	-121.8	33.6	-165.8	-70	-175.8	-34.1	0	0	114.7	D175 Y176 Y177 P241	D175-Q243 PolarHBondContact OD2-NE2 3.38Å; D175-Q243 PolarHBondContact OD2-OE1 3.28Å; Y176-Q243 HydrophobicContact CD2-CB 4.09Å; Y176-Q243 HydrophobicContact CG-CB 4.4Å; Y177-Q243 HydrophobicContact CE2-CB 4.02Å; Y177-Q243 VanDerWaalsContact CE2-O 3.25Å; Y177-Q243 WeakPolarHBondContact CE2-O 3.42Å; Y177-Q243 PolarHBondContact OH-O 2.89Å; P241-Q243 HydrophobicContact CB-CG 4.01Å; P241-Q243 VanDerWaalsContact CG-CD 3.49Å; P241-Q243 HydrophobicContact CG-CG 3.97Å; P241-Q243 PolarHBondContact O-N 2.92Å
244	S	93.7	Very high	95.4	Very high	11 Å²	11	47.8 Å²	47.8	8%	0.077	26%	0.257	C	S	.	.			trans	-59.2	136.1	-179.4	16.6	0	0	0	0	113.4	I249 K262	S244-I249 WeakPolarHBondContact O-CD1 3.42Å; S244-K262 WeakPolarHBondContact OG-CA 3.43Å; S244-K262 PolarHBondContact OG-O 3.02Å
245	P	94.6	Very high	95.1	Very high	30 Å²	30	48.6 Å²	48.6	20%	0.195	26%	0.261	C	S	.	.			trans	-62.5	143.3	175	-16.1	26.8	0	0	0	112	Y177 F206 A247 Y248 I269	Y177-P245 WeakPolarHBondContact OH-CG 3.37Å; F206-P245 HydrophobicContact CD1-CG 4.49Å; F206-P245 HydrophobicContact CD2-CG 4.22Å; F206-P245 HydrophobicContact CG-CG 4.2Å; P245-A247 PolarHBondContact O-N 2.86Å; P245-Y248 HydrophobicContact CB-CD2 4.12Å; P245-Y248 HydrophobicContact CG-CD2 4.17Å; P245-Y248 HydrophobicContact CG-CE2 4.39Å; P245-Y248 PolarHBondContact O-N 3.13Å; P245-I269 VanDerWaalsContact CD-CD1 3.48Å; P245-I269 HydrophobicContact CG-CD1 4.36Å
246	K	92.7	Very high	94.5	Very high	190 Å²	190	49.3 Å²	49.3	83%	0.826	27%	0.269	S	S	*	.	H	α-helix	trans	-49.2	-38.8	-171.9	-66.9	-177.4	179.8	178.4	0	114.5	Y248 I249 Y250	K246-Y248 VanDerWaalsContact C-N 3.29Å; K246-Y248 PolarHBondContact O-N 3.48Å; K246-I249 WeakPolarHBondContact O-CB 3.31Å; K246-I249 PolarHBondContact O-N 2.86Å; K246-I249 VanDerWaalsContact O-N 3.08Å; K246-Y250 PolarHBondContact O-N 3.48Å
247	A	94.8	Very high	94.2	Very high	78 Å²	78	50.1 Å²	50.1	65%	0.645	27%	0.273	S	S	*	.	H	α-helix	trans	-57.5	-38	-179.6	0	0	0	0	0	113.4	P245 I249 P251	P245-A247 PolarHBondContact O-N 2.86Å; A247-I249 VanDerWaalsContact C-N 3.32Å; A247-I249 PolarHBondContact O-N 3.49Å; A247-P251 VanDerWaalsContact O-CD 3.27Å; A247-P251 WeakPolarHBondContact O-CD 3.42Å
248	Y	96.6	Very high	93.9	Very high	45 Å²	45	54.3 Å²	54.3	18%	0.176	30%	0.298	C	S	.	.	H	α-helix	trans	-79.2	-14.6	-179.9	-62.9	-92.3	0	0	0	113	H209 P245 K246 Y252 A265 I269 E272	H209-Y248 AromaticContact CE1-CE2 3.99Å; H209-Y248 AromaticContact NE2-CZ 3.9Å; H209-Y248 PolarHBondContact NE2-OH 3.28Å; H209-Y248 VanDerWaalsContact NE2-OH 3.12Å; P245-Y248 HydrophobicContact CB-CD2 4.12Å; P245-Y248 HydrophobicContact CG-CD2 4.17Å; P245-Y248 HydrophobicContact CG-CE2 4.39Å; P245-Y248 PolarHBondContact O-N 3.13Å; K246-Y248 VanDerWaalsContact C-N 3.29Å; K246-Y248 PolarHBondContact O-N 3.48Å; Y248-Y252 WeakPolarHBondContact O-CD2 3.43Å; Y248-A265 WeakPolarHBondContact O-CB 3.36Å; Y248-I269 HydrophobicContact CD1-CD1 4.35Å; Y248-I269 HydrophobicContact CD1-CG1 3.41Å; Y248-I269 VanDerWaalsContact CD1-CG1 3.41Å; Y248-I269 HydrophobicContact CD2-CD1 3.95Å; Y248-I269 HydrophobicContact CD2-CG1 3.76Å; Y248-I269 HydrophobicContact CE1-CB 4.39Å; Y248-I269 HydrophobicContact CE1-CG1 3.56Å; Y248-I269 HydrophobicContact CE2-CD1 4.37Å; Y248-I269 HydrophobicContact CE2-CG1 3.94Å; Y248-I269 HydrophobicContact CG-CD1 3.94Å; Y248-I269 HydrophobicContact CG-CG1 3.5Å; Y248-I269 VanDerWaalsContact CG-CG1 3.5Å; Y248-E272 PolarHBondContact OH-OE1 2.85Å; Y248-E272 VanDerWaalsContact OH-OE1 3.07Å
249	I	95.6	Very high	93.7	Very high	36 Å²	36	55.6 Å²	55.6	19%	0.185	31%	0.309	C	S	.	.	H	α-helix	trans	-82.7	-32.2	178.3	-60.4	178	0	0	0	111.1	S244 K246 A247 Y252 R253 R261 K262 A265	S244-I249 WeakPolarHBondContact O-CD1 3.42Å; K246-I249 WeakPolarHBondContact O-CB 3.31Å; K246-I249 PolarHBondContact O-N 2.86Å; K246-I249 VanDerWaalsContact O-N 3.08Å; A247-I249 VanDerWaalsContact C-N 3.32Å; A247-I249 PolarHBondContact O-N 3.49Å; I249-Y252 CarbonylContact O-C 3.57Å; I249-Y252 PolarHBondContact O-N 2.89Å; I249-R253 PolarHBondContact O-N 3.07Å; I249-R261 HydrophobicContact CG2-CG 3.96Å; I249-K262 HydrophobicContact CD1-CG 4.19Å; I249-A265 HydrophobicContact CB-CB 4.49Å; I249-A265 HydrophobicContact CG1-CB 3.77Å
250	Y	94	Very high	93.5	Very high	152 Å²	152	54.8 Å²	54.8	60%	0.596	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-60.4	-37	-177.2	-179.6	-95.7	0	0	0	115.6	K246 Y252 R253	K246-Y250 PolarHBondContact O-N 3.48Å; Y250-Y252 PolarHBondContact O-N 2.84Å; Y250-R253 WeakPolarHBondContact O-CB 3.29Å; Y250-R253 WeakPolarHBondContact O-CG 3.24Å; Y250-R253 PolarHBondContact O-N 2.85Å; Y250-R253 PolarHBondContact O-NH1 2.91Å; Y250-R253 VanDerWaalsContact O-NH1 3.11Å
251	P	94.6	Very high	93.5	Very high	47 Å²	47	55.8 Å²	55.8	31%	0.305	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-55.4	-29.2	169.8	-29.2	36.5	0	0	0	114.3	R69 A247	R69-P251 PolarHBondContact NH2-O 2.9Å; A247-P251 VanDerWaalsContact O-CD 3.27Å; A247-P251 WeakPolarHBondContact O-CD 3.42Å
252	Y	94.8	Very high	93.5	Very high	8 Å²	8	57.4 Å²	57.4	3%	0.031	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-101.4	15.7	-177.8	-57.8	-74.4	0	0	0	113.4	D67 R69 Y248 I249 Y250 G254 M255 R261 A264 A265 S268	D67-Y252 VanDerWaalsContact O-CE1 3.25Å; D67-Y252 WeakPolarHBondContact O-CE1 3.47Å; R69-Y252 VanDerWaalsContact CB-OH 3.29Å; R69-Y252 WeakPolarHBondContact CB-OH 3.36Å; R69-Y252 HydrophobicContact CG-CE1 4.06Å; R69-Y252 PolarHBondContact N-OH 3Å; Y248-Y252 WeakPolarHBondContact O-CD2 3.43Å; I249-Y252 CarbonylContact O-C 3.57Å; I249-Y252 PolarHBondContact O-N 2.89Å; Y250-Y252 PolarHBondContact O-N 2.84Å; Y252-G254 PolarHBondContact O-N 3.1Å; Y252-M255 HydrophobicContact CD1-CE 3.91Å; Y252-M255 HydrophobicContact CD1-SD 4.29Å; Y252-M255 WeakPolarHBondContact O-CB 3.38Å; Y252-M255 PolarHBondContact O-N 2.83Å; Y252-R261 WeakPolarHBondContact O-CG 3.45Å; Y252-A264 HydrophobicContact CD1-CB 3.76Å; Y252-A264 HydrophobicContact CD2-CB 4.04Å; Y252-A264 HydrophobicContact CE1-CB 3.73Å; Y252-A264 HydrophobicContact CE2-CB 4Å; Y252-A264 WeakPolarHBondContact CE2-O 3.13Å; Y252-A264 HydrophobicContact CG-CB 3.92Å; Y252-A265 HydrophobicContact CD2-CB 4.33Å; Y252-S268 WeakPolarHBondContact CE2-OG 3.41Å; Y252-S268 VanDerWaalsContact CZ-OG 3.31Å; Y252-S268 PolarHBondContact OH-OG 3.4Å
253	R	91.8	Very high	93.6	Very high	141 Å²	141	56 Å²	56	53%	0.532	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-29.1	-174.1	65.1	-171	177.8	-80.9	1.3	115.6	I249 Y250 R261	I249-R253 PolarHBondContact O-N 3.07Å; Y250-R253 WeakPolarHBondContact O-CB 3.29Å; Y250-R253 WeakPolarHBondContact O-CG 3.24Å; Y250-R253 PolarHBondContact O-N 2.85Å; Y250-R253 PolarHBondContact O-NH1 2.91Å; Y250-R253 VanDerWaalsContact O-NH1 3.11Å; R253-R261 PolarHBondContact O-NH2 3.12Å
254	G	89.9	Confident	93.7	Very high	76 Å²	76	53.6 Å²	53.6	78%	0.784	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-15.3	175.8	0	0	0	0	0	115.2	Y252 G256	Y252-G254 PolarHBondContact O-N 3.1Å; G254-G256 PolarHBondContact O-N 2.85Å; G254-G256 VanDerWaalsContact O-N 3.11Å
255	M	91.3	Very high	93.9	Very high	17 Å²	17	53 Å²	53	8%	0.084	28%	0.284	C	S	.	.			trans	-74.2	99.8	177.6	-173.7	176.8	-82.7	0	0	108.7	D67 I68 Y252 N257 R260 R261 A264 V444	D67-M255 HydrophobicContact CB-CE 4.19Å; I68-M255 HydrophobicContact CD1-CE 4.17Å; Y252-M255 HydrophobicContact CD1-CE 3.91Å; Y252-M255 HydrophobicContact CD1-SD 4.29Å; Y252-M255 WeakPolarHBondContact O-CB 3.38Å; Y252-M255 PolarHBondContact O-N 2.83Å; M255-N257 PolarHBondContact O-N 2.94Å; M255-R260 HydrophobicContact CG-CB 4.47Å; M255-R260 HydrophobicContact CG-CG 4.06Å; M255-R260 HydrophobicContact SD-CB 4.33Å; M255-R260 HydrophobicContact SD-CG 3.68Å; M255-R261 HydrophobicContact CB-CB 4.41Å; M255-R261 HydrophobicContact CB-CG 4.44Å; M255-R261 HydrophobicContact CG-CB 4.43Å; M255-R261 PolarHBondContact O-NE 2.94Å; M255-R261 PolarHBondContact O-NH2 2.7Å; M255-R261 HydrophobicContact SD-CB 4.44Å; M255-A264 HydrophobicContact CE-CB 4.27Å; M255-A264 HydrophobicContact SD-CB 3.93Å; M255-V444 CarbonylContact C-O 3.54Å
256	G	87.2	Confident	94.1	Very high	15 Å²	15	51.7 Å²	51.7	16%	0.155	28%	0.275	C	S	.	.			trans	-60.4	-46.1	-164.7	0	0	0	0	0	114.1	G254 V258 R261 V444 A446	G254-G256 PolarHBondContact O-N 2.85Å; G254-G256 VanDerWaalsContact O-N 3.11Å; G256-V258 PolarHBondContact O-N 3.15Å; G256-R261 PolarHBondContact O-NH2 3.24Å; G256-V444 PolarHBondContact N-O 3.39Å; G256-A446 VanDerWaalsContact C-CA 3.45Å
257	N	90.1	Very high	94.3	Very high	16 Å²	16	42.6 Å²	42.6	9%	0.086	24%	0.236	C	C	.	.			trans	-64.2	120.6	179.5	178.3	-47.9	0	0	0	111.2	M255 A259 R260 R261 Q443 L445	M255-N257 PolarHBondContact O-N 2.94Å; N257-A259 PolarHBondContact O-N 2.87Å; N257-A259 WeakPolarHBondContact OD1-CA 3.38Å; N257-A259 WeakPolarHBondContact OD1-CB 3.46Å; N257-A259 PolarHBondContact OD1-N 2.95Å; N257-R260 HydrophobicContact CB-CB 3.94Å; N257-R260 PolarHBondContact O-N 2.98Å; N257-R260 PolarHBondContact OD1-N 2.83Å; N257-R261 VanDerWaalsContact O-CB 3.3Å; N257-R261 WeakPolarHBondContact O-CB 3.21Å; N257-R261 PolarHBondContact O-N 2.89Å; N257-Q443 HydrophobicContact CB-CB 4.38Å; N257-Q443 WeakPolarHBondContact CB-O 3.44Å; N257-Q443 WeakPolarHBondContact ND2-CB 3.42Å; N257-Q443 PolarHBondContact ND2-OE1 2.75Å; N257-Q443 VanDerWaalsContact ND2-OE1 3.09Å; N257-L445 WeakPolarHBondContact CB-O 3.31Å; N257-L445 PolarHBondContact N-O 3.39Å
258	V	91.3	Very high	94.5	Very high	90 Å²	90	39.8 Å²	39.8	55%	0.545	21%	0.211	S	C	.	.	H	α-helix	trans	-66.5	-35.1	-174.9	177.3	0	0	0	0	112.8	G256 K262	G256-V258 PolarHBondContact O-N 3.15Å; V258-K262 HydrophobicContact CG1-CD 4.24Å; V258-K262 WeakPolarHBondContact O-CB 3.29Å; V258-K262 WeakPolarHBondContact O-CG 3.5Å; V258-K262 PolarHBondContact O-N 2.77Å
259	A	92.6	Very high	94.6	Very high	27 Å²	27	37.7 Å²	37.7	22%	0.223	20%	0.203	C	C	.	.	H	α-helix	trans	-69.4	-49.6	177.2	0	0	0	0	0	110.7	L242 N257 R261 K262 Y263	L242-A259 HydrophobicContact CD1-CB 3.82Å; N257-A259 PolarHBondContact O-N 2.87Å; N257-A259 WeakPolarHBondContact OD1-CA 3.38Å; N257-A259 WeakPolarHBondContact OD1-CB 3.46Å; N257-A259 PolarHBondContact OD1-N 2.95Å; A259-R261 VanDerWaalsContact C-N 3.32Å; A259-R261 PolarHBondContact O-N 3.11Å; A259-K262 PolarHBondContact O-N 3.33Å; A259-Y263 VanDerWaalsContact O-CB 3.28Å; A259-Y263 WeakPolarHBondContact O-CB 3.43Å; A259-Y263 PolarHBondContact O-N 2.81Å
260	R	94.6	Very high	94.8	Very high	2 Å²	2	36 Å²	36	1%	0.008	19%	0.194	C	C	.	.	H	α-helix	trans	-57.6	-42.8	175.7	-174.1	53.8	-179.8	178.9	1.4	111.6	N59 D60 M255 N257 Y263 A264 G305 G306	N59-R260 PolarHBondContact O-NH2 2.69Å; D60-R260 IonicContact OD1-CZ 3.57Å; D60-R260 IonicContact OD1-NH1 3.72Å; D60-R260 PolarHBondContact OD1-NH1 2.84Å; D60-R260 IonicContact OD1-NH2 2.74Å; D60-R260 PolarHBondContact OD1-NH2 3.08Å; D60-R260 IonicContact OD2-NH1 2.71Å; M255-R260 HydrophobicContact CG-CB 4.47Å; M255-R260 HydrophobicContact CG-CG 4.06Å; M255-R260 HydrophobicContact SD-CB 4.33Å; M255-R260 HydrophobicContact SD-CG 3.68Å; N257-R260 HydrophobicContact CB-CB 3.94Å; N257-R260 PolarHBondContact O-N 2.98Å; N257-R260 PolarHBondContact OD1-N 2.83Å; R260-Y263 PolarHBondContact O-N 2.81Å; R260-A264 WeakPolarHBondContact O-CB 3.44Å; R260-A264 PolarHBondContact O-N 2.91Å; R260-G305 WeakPolarHBondContact CD-O 3.49Å; R260-G305 PolarHBondContact NH1-O 3.44Å; R260-G306 VanDerWaalsContact NH1-C 3.32Å
261	R	95	Very high	95	Very high	65 Å²	65	29 Å²	29	25%	0.245	17%	0.167	C	C	.	.	H	α-helix	trans	-61.2	-47	176	-166.6	-171.2	-55.7	-179.7	4.1	113	I249 Y252 R253 M255 G256 N257 A259 A265	I249-R261 HydrophobicContact CG2-CG 3.96Å; Y252-R261 WeakPolarHBondContact O-CG 3.45Å; R253-R261 PolarHBondContact O-NH2 3.12Å; M255-R261 HydrophobicContact CB-CB 4.41Å; M255-R261 HydrophobicContact CB-CG 4.44Å; M255-R261 HydrophobicContact CG-CB 4.43Å; M255-R261 PolarHBondContact O-NE 2.94Å; M255-R261 PolarHBondContact O-NH2 2.7Å; M255-R261 HydrophobicContact SD-CB 4.44Å; G256-R261 PolarHBondContact O-NH2 3.24Å; N257-R261 VanDerWaalsContact O-CB 3.3Å; N257-R261 WeakPolarHBondContact O-CB 3.21Å; N257-R261 PolarHBondContact O-N 2.89Å; A259-R261 VanDerWaalsContact C-N 3.32Å; A259-R261 PolarHBondContact O-N 3.11Å; R261-A265 PolarHBondContact O-N 3.29Å; R261-A265 VanDerWaalsContact O-N 3.15Å
262	K	96.4	Very high	95.2	Very high	79 Å²	79	28.9 Å²	28.9	34%	0.343	16%	0.163	S	C	.	.	H	α-helix	trans	-66.3	-39.5	176.9	-75.6	174.7	165.1	-162.1	0	111.8	L242 S244 I249 V258 A259 A265 L266	L242-K262 HydrophobicContact CB-CB 4.01Å; L242-K262 HydrophobicContact CB-CD 4.09Å; L242-K262 WeakPolarHBondContact O-CD 3.25Å; L242-K262 PolarHBondContact O-NZ 3.13Å; S244-K262 WeakPolarHBondContact OG-CA 3.43Å; S244-K262 PolarHBondContact OG-O 3.02Å; I249-K262 HydrophobicContact CD1-CG 4.19Å; V258-K262 HydrophobicContact CG1-CD 4.24Å; V258-K262 WeakPolarHBondContact O-CB 3.29Å; V258-K262 WeakPolarHBondContact O-CG 3.5Å; V258-K262 PolarHBondContact O-N 2.77Å; A259-K262 PolarHBondContact O-N 3.33Å; K262-A265 WeakPolarHBondContact O-CB 3.44Å; K262-A265 PolarHBondContact O-N 3.32Å; K262-L266 WeakPolarHBondContact O-CG 3.29Å; K262-L266 PolarHBondContact O-N 2.8Å
263	Y	97.7	Very high	95.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64.1	-48.2	177.3	-177.8	-82.3	0	0	0	111.6	D55 Q56 G57 D60 V238 L242 A259 R260 A265 L266 V267 T304 G305 G306	D55-Y263 PolarHBondContact O-OH 3.33Å; Q56-Y263 WeakPolarHBondContact CA-OH 3.46Å; G57-Y263 PolarHBondContact N-OH 2.88Å; D60-Y263 HydrophobicContact CB-CE1 3.9Å; D60-Y263 VanDerWaalsContact OD2-CE1 3.32Å; D60-Y263 WeakPolarHBondContact OD2-CE1 3.49Å; D60-Y263 PolarHBondContact OD2-OH 3.22Å; V238-Y263 HydrophobicContact CB-CD2 4.44Å; V238-Y263 HydrophobicContact CB-CE2 4.01Å; V238-Y263 HydrophobicContact CG2-CD2 4.35Å; V238-Y263 HydrophobicContact CG2-CE1 4.18Å; V238-Y263 HydrophobicContact CG2-CE2 3.48Å; V238-Y263 VanDerWaalsContact CG2-CE2 3.48Å; V238-Y263 VanDerWaalsContact CG2-OH 3.27Å; V238-Y263 WeakPolarHBondContact CG2-OH 3.43Å; L242-Y263 HydrophobicContact CD2-CD2 4.27Å; A259-Y263 VanDerWaalsContact O-CB 3.28Å; A259-Y263 WeakPolarHBondContact O-CB 3.43Å; A259-Y263 PolarHBondContact O-N 2.81Å; R260-Y263 PolarHBondContact O-N 2.81Å; Y263-A265 PolarHBondContact O-N 3.08Å; Y263-L266 WeakPolarHBondContact O-CA 3.49Å; Y263-L266 WeakPolarHBondContact O-CB 3.36Å; Y263-L266 PolarHBondContact O-N 2.74Å; Y263-V267 HydrophobicContact CD1-CG2 4.01Å; Y263-V267 HydrophobicContact CE1-CG2 3.7Å; Y263-V267 PolarHBondContact O-N 3.04Å; Y263-T304 WeakPolarHBondContact CD2-O 3.49Å; Y263-G305 VanDerWaalsContact CD1-O 3.31Å; Y263-G305 WeakPolarHBondContact CD1-O 3.46Å; Y263-G306 VanDerWaalsContact CZ-CA 3.42Å
264	A	97.8	Very high	95.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-58.6	-36.2	174.6	0	0	0	0	0	112.7	I68 Y252 M255 R260 V267 S268	I68-A264 HydrophobicContact CD1-CB 3.53Å; Y252-A264 HydrophobicContact CD1-CB 3.76Å; Y252-A264 HydrophobicContact CD2-CB 4.04Å; Y252-A264 HydrophobicContact CE1-CB 3.73Å; Y252-A264 HydrophobicContact CE2-CB 4Å; Y252-A264 WeakPolarHBondContact CE2-O 3.13Å; Y252-A264 HydrophobicContact CG-CB 3.92Å; M255-A264 HydrophobicContact CE-CB 4.27Å; M255-A264 HydrophobicContact SD-CB 3.93Å; R260-A264 WeakPolarHBondContact O-CB 3.44Å; R260-A264 PolarHBondContact O-N 2.91Å; A264-V267 PolarHBondContact O-N 2.54Å; A264-S268 PolarHBondContact O-N 2.86Å; A264-S268 PolarHBondContact O-OG 3.47Å
265	A	98.1	Very high	96.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-64.3	-38.4	171.1	0	0	0	0	0	112.8	Y248 I249 Y252 R261 K262 Y263 S268 I269	Y248-A265 WeakPolarHBondContact O-CB 3.36Å; I249-A265 HydrophobicContact CB-CB 4.49Å; I249-A265 HydrophobicContact CG1-CB 3.77Å; Y252-A265 HydrophobicContact CD2-CB 4.33Å; R261-A265 PolarHBondContact O-N 3.29Å; R261-A265 VanDerWaalsContact O-N 3.15Å; K262-A265 WeakPolarHBondContact O-CB 3.44Å; K262-A265 PolarHBondContact O-N 3.32Å; Y263-A265 PolarHBondContact O-N 3.08Å; A265-S268 WeakPolarHBondContact O-CB 3.37Å; A265-S268 PolarHBondContact O-N 2.86Å; A265-I269 WeakPolarHBondContact O-CD1 3.07Å; A265-I269 WeakPolarHBondContact O-CG1 3.48Å; A265-I269 PolarHBondContact O-N 3.49Å
266	L	98.6	Very high	96.5	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-64.2	-44.6	172.5	-65.6	174.4	0	0	0	111.7	Y176 F206 V238 L242 K262 Y263 S268 I269 V270	Y176-L266 HydrophobicContact CE1-CD2 4.23Å; F206-L266 HydrophobicContact CE2-CD2 4.3Å; F206-L266 HydrophobicContact CZ-CD2 3.64Å; V238-L266 HydrophobicContact CB-CB 4.06Å; V238-L266 HydrophobicContact CG1-CB 3.79Å; L242-L266 HydrophobicContact CD2-CD1 3.88Å; K262-L266 WeakPolarHBondContact O-CG 3.29Å; K262-L266 PolarHBondContact O-N 2.8Å; Y263-L266 WeakPolarHBondContact O-CA 3.49Å; Y263-L266 WeakPolarHBondContact O-CB 3.36Å; Y263-L266 PolarHBondContact O-N 2.74Å; L266-S268 PolarHBondContact O-N 3.47Å; L266-I269 HydrophobicContact CD2-CD1 4.4Å; L266-I269 PolarHBondContact O-N 2.95Å; L266-V270 PolarHBondContact O-N 3.08Å; L266-V270 VanDerWaalsContact O-N 3.13Å
267	V	98.7	Very high	97.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-57.9	-36.4	176.1	177.5	0	0	0	0	111.3	I68 T70 V238 Y263 A264 I269 V270 D271	I68-V267 HydrophobicContact CG2-CB 4.15Å; I68-V267 HydrophobicContact CG2-CG1 3.61Å; T70-V267 HydrophobicContact CG2-CG1 3.42Å; T70-V267 VanDerWaalsContact CG2-CG1 3.42Å; V238-V267 HydrophobicContact CB-CG2 4.36Å; V238-V267 HydrophobicContact CG1-CB 4.31Å; V238-V267 HydrophobicContact CG1-CG2 3.73Å; V238-V267 HydrophobicContact CG2-CG2 4.32Å; Y263-V267 HydrophobicContact CD1-CG2 4.01Å; Y263-V267 HydrophobicContact CE1-CG2 3.7Å; Y263-V267 PolarHBondContact O-N 3.04Å; A264-V267 PolarHBondContact O-N 2.54Å; V267-I269 VanDerWaalsContact C-N 3.3Å; V267-I269 PolarHBondContact O-N 3.31Å; V267-V270 WeakPolarHBondContact O-CB 3.08Å; V267-V270 PolarHBondContact O-N 3.31Å; V267-D271 PolarHBondContact O-N 3.23Å
268	S	98.6	Very high	97.5	Very high	19 Å²	19	23.1 Å²	23.1	13%	0.133	11%	0.114	C	C	.	.	H	α-helix	trans	-68.3	-28.1	177.1	-50.9	0	0	0	0	113.3	Y252 A264 A265 L266 D271 E272	Y252-S268 WeakPolarHBondContact CE2-OG 3.41Å; Y252-S268 VanDerWaalsContact CZ-OG 3.31Å; Y252-S268 PolarHBondContact OH-OG 3.4Å; A264-S268 PolarHBondContact O-N 2.86Å; A264-S268 PolarHBondContact O-OG 3.47Å; A265-S268 WeakPolarHBondContact O-CB 3.37Å; A265-S268 PolarHBondContact O-N 2.86Å; L266-S268 PolarHBondContact O-N 3.47Å; S268-D271 PolarHBondContact O-N 3.44Å; S268-E272 PolarHBondContact O-N 2.78Å; S268-E272 VanDerWaalsContact O-N 3.11Å
269	I	98.4	Very high	97.8	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-78.2	-28.8	175.2	-54.2	156.5	0	0	0	110.3	F206 T208 P245 Y248 A265 L266 V267 A273	F206-I269 HydrophobicContact CD1-CD1 4.43Å; F206-I269 HydrophobicContact CD1-CG2 4.22Å; F206-I269 HydrophobicContact CE1-CB 4.38Å; F206-I269 HydrophobicContact CE1-CD1 3.63Å; F206-I269 HydrophobicContact CE1-CG2 3.82Å; F206-I269 HydrophobicContact CZ-CD1 3.87Å; T208-I269 HydrophobicContact CG2-CG2 3.88Å; P245-I269 VanDerWaalsContact CD-CD1 3.48Å; P245-I269 HydrophobicContact CG-CD1 4.36Å; Y248-I269 HydrophobicContact CD1-CD1 4.35Å; Y248-I269 HydrophobicContact CD1-CG1 3.41Å; Y248-I269 VanDerWaalsContact CD1-CG1 3.41Å; Y248-I269 HydrophobicContact CD2-CD1 3.95Å; Y248-I269 HydrophobicContact CD2-CG1 3.76Å; Y248-I269 HydrophobicContact CE1-CB 4.39Å; Y248-I269 HydrophobicContact CE1-CG1 3.56Å; Y248-I269 HydrophobicContact CE2-CD1 4.37Å; Y248-I269 HydrophobicContact CE2-CG1 3.94Å; Y248-I269 HydrophobicContact CG-CD1 3.94Å; Y248-I269 HydrophobicContact CG-CG1 3.5Å; Y248-I269 VanDerWaalsContact CG-CG1 3.5Å; A265-I269 WeakPolarHBondContact O-CD1 3.07Å; A265-I269 WeakPolarHBondContact O-CG1 3.48Å; A265-I269 PolarHBondContact O-N 3.49Å; L266-I269 HydrophobicContact CD2-CD1 4.4Å; L266-I269 PolarHBondContact O-N 2.95Å; V267-I269 VanDerWaalsContact C-N 3.3Å; V267-I269 PolarHBondContact O-N 3.31Å; I269-A273 VanDerWaalsContact O-CB 3.29Å; I269-A273 WeakPolarHBondContact O-CB 3.19Å; I269-A273 PolarHBondContact O-N 3.2Å
270	V	98.8	Very high	98.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-62.6	-47.2	166.7	176.4	0	0	0	0	110.4	T53 L73 L235 A237 V238 L266 V267 E272 A273 V274 F294	T53-V270 HydrophobicContact CG2-CG1 3.66Å; T53-V270 HydrophobicContact CG2-CG2 4.18Å; L73-V270 HydrophobicContact CD1-CG1 4.48Å; L235-V270 HydrophobicContact CD1-CB 4.5Å; L235-V270 HydrophobicContact CD1-CG1 4.1Å; L235-V270 HydrophobicContact CD1-CG2 4.1Å; A237-V270 HydrophobicContact CB-CG2 3.46Å; A237-V270 VanDerWaalsContact CB-CG2 3.46Å; V238-V270 HydrophobicContact CG1-CG2 3.87Å; L266-V270 PolarHBondContact O-N 3.08Å; L266-V270 VanDerWaalsContact O-N 3.13Å; V267-V270 WeakPolarHBondContact O-CB 3.08Å; V267-V270 PolarHBondContact O-N 3.31Å; V270-E272 VanDerWaalsContact C-N 3.33Å; V270-E272 PolarHBondContact O-N 2.61Å; V270-A273 WeakPolarHBondContact O-CB 3.31Å; V270-A273 PolarHBondContact O-N 3Å; V270-A273 VanDerWaalsContact O-N 3.1Å; V270-V274 HydrophobicContact CG1-CG2 4.4Å; V270-V274 WeakPolarHBondContact O-CG2 3.17Å; V270-V274 PolarHBondContact O-N 2.81Å; V270-F294 HydrophobicContact CG1-CE2 3.95Å; V270-F294 HydrophobicContact CG1-CZ 4.22Å
271	D	98.9	Very high	98.3	Very high	6 Å²	6	24.3 Å²	24.3	3%	0.032	11%	0.105	C	C	.	.	H	α-helix	trans	-56.2	-47.7	176.9	-170.4	82.8	0	0	0	111.7	T70 T72 L73 V267 S268 A273 V274 R275	T70-D271 WeakPolarHBondContact CA-OD1 3.45Å; T70-D271 HydrophobicContact CG2-CB 4.36Å; T70-D271 VanDerWaalsContact O-OD1 3.07Å; T72-D271 VanDerWaalsContact CA-OD1 3.28Å; T72-D271 WeakPolarHBondContact CA-OD1 3.31Å; T72-D271 VanDerWaalsContact CB-CG 3.46Å; T72-D271 WeakPolarHBondContact CB-OD1 3.13Å; T72-D271 VanDerWaalsContact CB-OD2 3.22Å; T72-D271 WeakPolarHBondContact CB-OD2 3.26Å; T72-D271 PolarHBondContact N-OD1 3.27Å; T72-D271 PolarHBondContact N-OD2 3.16Å; T72-D271 PolarHBondContact OG1-OD2 3.24Å; L73-D271 PolarHBondContact N-OD1 3.08Å; V267-D271 PolarHBondContact O-N 3.23Å; S268-D271 PolarHBondContact O-N 3.44Å; D271-A273 PolarHBondContact O-N 2.75Å; D271-V274 PolarHBondContact O-N 3.4Å; D271-R275 WeakPolarHBondContact O-CB 3.29Å; D271-R275 PolarHBondContact O-N 2.95Å
272	E	98.8	Very high	98.5	Very high	44 Å²	44	27.4 Å²	27.4	21%	0.206	12%	0.116	C	C	.	.	H	α-helix	trans	-62.6	-40.1	174.1	171.1	159.6	136.8	0	0	112.9	H209 Y248 S268 V270 V274 R275 N276	H209-E272 IonicContact NE2-OE1 3.17Å; Y248-E272 PolarHBondContact OH-OE1 2.85Å; Y248-E272 VanDerWaalsContact OH-OE1 3.07Å; S268-E272 PolarHBondContact O-N 2.78Å; S268-E272 VanDerWaalsContact O-N 3.11Å; V270-E272 VanDerWaalsContact C-N 3.33Å; V270-E272 PolarHBondContact O-N 2.61Å; E272-V274 VanDerWaalsContact C-N 3.35Å; E272-V274 PolarHBondContact O-N 3.27Å; E272-R275 WeakPolarHBondContact O-CB 3.32Å; E272-R275 PolarHBondContact O-N 3.41Å; E272-R275 IonicContact OE2-CZ 2.76Å; E272-R275 IonicContact OE2-NH1 3.22Å; E272-R275 IonicContact OE2-NH2 2.72Å; E272-R275 PolarHBondContact OE2-NH2 3.41Å; E272-N276 VanDerWaalsContact CG-ND2 3.33Å; E272-N276 WeakPolarHBondContact CG-ND2 3.5Å; E272-N276 VanDerWaalsContact O-CB 3.3Å; E272-N276 WeakPolarHBondContact O-CB 3.41Å; E272-N276 PolarHBondContact O-N 3.22Å; E272-N276 PolarHBondContact O-ND2 3.28Å
273	A	98.8	Very high	98.6	Very high	2 Å²	2	29.6 Å²	29.6	2%	0.017	13%	0.126	C	C	.	.	H	α-helix	trans	-59.4	-46.8	176	0	0	0	0	0	110.9	T208 T212 I269 V270 D271 N276 V277	T208-A273 HydrophobicContact CG2-CB 4.01Å; T212-A273 VanDerWaalsContact OG1-CB 3.24Å; T212-A273 WeakPolarHBondContact OG1-CB 3.24Å; I269-A273 VanDerWaalsContact O-CB 3.29Å; I269-A273 WeakPolarHBondContact O-CB 3.19Å; I269-A273 PolarHBondContact O-N 3.2Å; V270-A273 WeakPolarHBondContact O-CB 3.31Å; V270-A273 PolarHBondContact O-N 3Å; V270-A273 VanDerWaalsContact O-N 3.1Å; D271-A273 PolarHBondContact O-N 2.75Å; A273-N276 PolarHBondContact O-N 3.31Å; A273-V277 WeakPolarHBondContact O-CG2 3.31Å; A273-V277 PolarHBondContact O-N 3.05Å
274	V	98.9	Very high	98.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-67.4	-36.5	177	-179	0	0	0	0	111.6	I51 L73 L76 V270 D271 E272 N276 V277 T278 F294	I51-V274 HydrophobicContact CD1-CG1 4.11Å; I51-V274 HydrophobicContact CD1-CG2 4.01Å; I51-V274 HydrophobicContact CG2-CG2 4.14Å; L73-V274 HydrophobicContact CD2-CB 3.84Å; L73-V274 HydrophobicContact CD2-CG1 3.94Å; L73-V274 HydrophobicContact CD2-CG2 3.75Å; L76-V274 HydrophobicContact CD1-CG1 3.49Å; L76-V274 VanDerWaalsContact CD1-CG1 3.49Å; V270-V274 HydrophobicContact CG1-CG2 4.4Å; V270-V274 WeakPolarHBondContact O-CG2 3.17Å; V270-V274 PolarHBondContact O-N 2.81Å; D271-V274 PolarHBondContact O-N 3.4Å; E272-V274 VanDerWaalsContact C-N 3.35Å; E272-V274 PolarHBondContact O-N 3.27Å; V274-N276 PolarHBondContact O-N 2.81Å; V274-V277 PolarHBondContact O-N 3.06Å; V274-T278 HydrophobicContact CG1-CG2 4.3Å; V274-T278 WeakPolarHBondContact O-CB 3.17Å; V274-T278 WeakPolarHBondContact O-CG2 3.02Å; V274-T278 PolarHBondContact O-N 2.91Å; V274-T278 PolarHBondContact O-OG1 3.17Å; V274-F294 HydrophobicContact CG2-CD2 4.44Å; V274-F294 HydrophobicContact CG2-CE2 4.33Å
275	R	98.9	Very high	98.6	Very high	108 Å²	108	35.7 Å²	35.7	41%	0.408	17%	0.165	S	C	.	.	H	α-helix	trans	-58.5	-47.1	171.5	-166.6	-176.7	70.8	-146.9	-0.9	111.5	T72 D271 E272 T278 Y279	T72-R275 HydrophobicContact CG2-CB 3.81Å; T72-R275 HydrophobicContact CG2-CG 4.21Å; D271-R275 WeakPolarHBondContact O-CB 3.29Å; D271-R275 PolarHBondContact O-N 2.95Å; E272-R275 WeakPolarHBondContact O-CB 3.32Å; E272-R275 PolarHBondContact O-N 3.41Å; E272-R275 IonicContact OE2-CZ 2.76Å; E272-R275 IonicContact OE2-NH1 3.22Å; E272-R275 IonicContact OE2-NH2 2.72Å; E272-R275 PolarHBondContact OE2-NH2 3.41Å; R275-T278 PolarHBondContact O-N 2.64Å; R275-T278 PolarHBondContact O-OG1 2.95Å; R275-T278 VanDerWaalsContact O-OG1 3.13Å; R275-Y279 VanDerWaalsContact O-CB 3.29Å; R275-Y279 WeakPolarHBondContact O-CB 3.34Å; R275-Y279 PolarHBondContact O-N 3.33Å
276	N	98.9	Very high	98.6	Very high	32 Å²	32	35.8 Å²	35.8	17%	0.171	17%	0.165	C	C	.	.	H	α-helix	trans	-69.6	-34	-178.9	-70.3	-21.4	0	0	0	112.3	T212 E272 A273 V274 A280	T212-N276 HydrophobicContact CG2-CB 3.58Å; E272-N276 VanDerWaalsContact CG-ND2 3.33Å; E272-N276 WeakPolarHBondContact CG-ND2 3.5Å; E272-N276 VanDerWaalsContact O-CB 3.3Å; E272-N276 WeakPolarHBondContact O-CB 3.41Å; E272-N276 PolarHBondContact O-N 3.22Å; E272-N276 PolarHBondContact O-ND2 3.28Å; A273-N276 PolarHBondContact O-N 3.31Å; V274-N276 PolarHBondContact O-N 2.81Å; N276-A280 PolarHBondContact O-N 3.46Å
277	V	98.8	Very high	98.6	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	17%	0.173	C	C	.	.	H	α-helix	trans	-70	-49.1	172.1	170.3	0	0	0	0	111.2	I49 V215 L233 A273 V274 Y279 A280 L281	I49-V277 HydrophobicContact CG2-CG1 4.28Å; V215-V277 HydrophobicContact CB-CG2 4.27Å; V215-V277 HydrophobicContact CG1-CG1 4.23Å; V215-V277 HydrophobicContact CG1-CG2 3.82Å; L233-V277 HydrophobicContact CD2-CG2 4.05Å; A273-V277 WeakPolarHBondContact O-CG2 3.31Å; A273-V277 PolarHBondContact O-N 3.05Å; V274-V277 PolarHBondContact O-N 3.06Å; V277-Y279 VanDerWaalsContact C-N 3.32Å; V277-Y279 PolarHBondContact O-N 2.97Å; V277-A280 WeakPolarHBondContact O-CB 3.28Å; V277-A280 PolarHBondContact O-N 2.75Å; V277-L281 HydrophobicContact CG1-CD1 4.14Å; V277-L281 HydrophobicContact CG1-CG 4.4Å; V277-L281 WeakPolarHBondContact O-CG 3.47Å; V277-L281 PolarHBondContact O-N 3.18Å
278	T	98.8	Very high	98.6	Very high	9 Å²	9	48 Å²	48	6%	0.055	21%	0.212	C	C	.	.	H	α-helix	trans	-65.7	-32.9	179.4	51.8	0	0	0	0	113.1	L76 V274 R275 R282 L292	L76-T278 HydrophobicContact CD1-CG2 3.92Å; L76-T278 HydrophobicContact CD2-CG2 4.14Å; V274-T278 HydrophobicContact CG1-CG2 4.3Å; V274-T278 WeakPolarHBondContact O-CB 3.17Å; V274-T278 WeakPolarHBondContact O-CG2 3.02Å; V274-T278 PolarHBondContact O-N 2.91Å; V274-T278 PolarHBondContact O-OG1 3.17Å; R275-T278 PolarHBondContact O-N 2.64Å; R275-T278 PolarHBondContact O-OG1 2.95Å; R275-T278 VanDerWaalsContact O-OG1 3.13Å; T278-R282 WeakPolarHBondContact O-CG 3.34Å; T278-R282 PolarHBondContact O-N 2.9Å; T278-R282 VanDerWaalsContact O-N 3.13Å; T278-L292 HydrophobicContact CG2-CD1 3.55Å
279	Y	98.8	Very high	98.5	Very high	141 Å²	141	49.1 Å²	49.1	55%	0.553	22%	0.216	S	C	*	.	H	α-helix	trans	-62.1	-43.9	168.3	178.1	-100.5	0	0	0	112	R275 V277 R282 K283	R275-Y279 VanDerWaalsContact O-CB 3.29Å; R275-Y279 WeakPolarHBondContact O-CB 3.34Å; R275-Y279 PolarHBondContact O-N 3.33Å; V277-Y279 VanDerWaalsContact C-N 3.32Å; V277-Y279 PolarHBondContact O-N 2.97Å; Y279-R282 PolarHBondContact O-N 3.23Å; Y279-K283 HydrophobicContact CE1-CD 4.28Å; Y279-K283 WeakPolarHBondContact O-CB 3.31Å; Y279-K283 PolarHBondContact O-N 3Å
280	A	98.8	Very high	98.5	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.008	22%	0.217	C	C	.	.	H	α-helix	trans	-65.1	-43.4	176.8	0	0	0	0	0	112.4	R216 L219 N276 V277 R282 K283 Y284	R216-A280 HydrophobicContact CG-CB 4.05Å; L219-A280 HydrophobicContact CD1-CB 3.96Å; N276-A280 PolarHBondContact O-N 3.46Å; V277-A280 WeakPolarHBondContact O-CB 3.28Å; V277-A280 PolarHBondContact O-N 2.75Å; A280-R282 PolarHBondContact O-N 3.02Å; A280-K283 PolarHBondContact O-N 3.38Å; A280-Y284 HydrophobicContact CB-CD2 4.17Å; A280-Y284 HydrophobicContact CB-CE2 4.3Å; A280-Y284 VanDerWaalsContact O-CD2 3.23Å; A280-Y284 WeakPolarHBondContact O-CD2 3.46Å; A280-Y284 PolarHBondContact O-N 3.38Å
281	L	98.8	Very high	98.5	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-56.9	-36.3	174.3	-67.4	170.1	0	0	0	112	I49 L219 V277 G285 Y286 Y287	I49-L281 HydrophobicContact CD1-CD2 3.86Å; I49-L281 HydrophobicContact CG1-CD1 3.96Å; I49-L281 HydrophobicContact CG1-CD2 3.98Å; I49-L281 HydrophobicContact CG2-CD1 4.45Å; L219-L281 HydrophobicContact CD1-CD2 3.73Å; L219-L281 HydrophobicContact CD1-CG 4.03Å; L219-L281 HydrophobicContact CD2-CD2 3.79Å; L219-L281 HydrophobicContact CG-CD2 4.44Å; V277-L281 HydrophobicContact CG1-CD1 4.14Å; V277-L281 HydrophobicContact CG1-CG 4.4Å; V277-L281 WeakPolarHBondContact O-CG 3.47Å; V277-L281 PolarHBondContact O-N 3.18Å; L281-G285 CarbonylContact O-C 3.58Å; L281-G285 PolarHBondContact O-N 2.68Å; L281-Y286 HydrophobicContact CD2-CD1 4.47Å; L281-Y286 HydrophobicContact CD2-CG 3.99Å; L281-Y286 PolarHBondContact O-N 3.17Å; L281-Y286 VanDerWaalsContact O-N 3.13Å; L281-Y287 HydrophobicContact CB-CD2 4.33Å; L281-Y287 WeakPolarHBondContact O-CB 3.47Å; L281-Y287 PolarHBondContact O-N 2.88Å
282	R	98.6	Very high	98.5	Very high	129 Å²	129	49.3 Å²	49.3	49%	0.487	22%	0.217	S	C	.	.	H	α-helix	trans	-74.1	-47.6	175	-70.4	174.4	-177.2	178.5	2.4	111.9	T278 Y279 A280 Y284 G285 Y287	T278-R282 WeakPolarHBondContact O-CG 3.34Å; T278-R282 PolarHBondContact O-N 2.9Å; T278-R282 VanDerWaalsContact O-N 3.13Å; Y279-R282 PolarHBondContact O-N 3.23Å; A280-R282 PolarHBondContact O-N 3.02Å; R282-Y284 VanDerWaalsContact C-N 3.3Å; R282-Y284 PolarHBondContact O-N 2.6Å; R282-G285 PolarHBondContact O-N 3.15Å; R282-Y287 HydrophobicContact CG-CD1 4.03Å; R282-Y287 HydrophobicContact CG-CD2 3.51Å; R282-Y287 HydrophobicContact CG-CE2 4.06Å; R282-Y287 HydrophobicContact CG-CG 3.47Å; R282-Y287 VanDerWaalsContact CG-CG 3.47Å; R282-Y287 VanDerWaalsContact NE-CE2 3.32Å; R282-Y287 PolarHBondContact NH2-OH 3.13Å
283	K	98.5	Very high	98.5	Very high	126 Å²	126	47.2 Å²	47.2	55%	0.548	21%	0.208	S	C	.	.	H	α-helix	trans	-59.7	-38.7	-179	-177.5	180	176	-173.1	0	112.5	Y279 A280	Y279-K283 HydrophobicContact CE1-CD 4.28Å; Y279-K283 WeakPolarHBondContact O-CB 3.31Å; Y279-K283 PolarHBondContact O-N 3Å; A280-K283 PolarHBondContact O-N 3.38Å
284	Y	98.3	Very high	98.6	Very high	78 Å²	78	47.1 Å²	47.1	31%	0.306	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	24	-175.8	-56.1	-69.5	0	0	0	112.9	L219 S220 A280 R282 Y286	L219-Y284 HydrophobicContact CB-CD2 4.42Å; L219-Y284 WeakPolarHBondContact O-CB 3.36Å; S220-Y284 VanDerWaalsContact CB-CZ 3.44Å; A280-Y284 HydrophobicContact CB-CD2 4.17Å; A280-Y284 HydrophobicContact CB-CE2 4.3Å; A280-Y284 VanDerWaalsContact O-CD2 3.23Å; A280-Y284 WeakPolarHBondContact O-CD2 3.46Å; A280-Y284 PolarHBondContact O-N 3.38Å; R282-Y284 VanDerWaalsContact C-N 3.3Å; R282-Y284 PolarHBondContact O-N 2.6Å; Y284-Y286 VanDerWaalsContact C-N 3.34Å; Y284-Y286 WeakPolarHBondContact O-CD2 3.29Å; Y284-Y286 VanDerWaalsContact O-CE2 3.28Å; Y284-Y286 WeakPolarHBondContact O-CE2 3.41Å; Y284-Y286 PolarHBondContact O-N 3.38Å; Y284-Y286 VanDerWaalsContact O-N 3.11Å
285	G	97.4	Very high	98.6	Very high	50 Å²	50	47.1 Å²	47.1	52%	0.515	21%	0.207	S	C	.	.	S	Bend	trans	85.1	-34	168.1	0	0	0	0	0	117.4	L281 R282 Y287	L281-G285 CarbonylContact O-C 3.58Å; L281-G285 PolarHBondContact O-N 2.68Å; R282-G285 PolarHBondContact O-N 3.15Å; G285-Y287 PolarHBondContact O-N 3.26Å
286	Y	98.3	Very high	98.6	Very high	1 Å²	1	42 Å²	42	0%	0.004	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-43.2	-38.8	-176.9	-61.3	-100	0	0	0	115.7	H47 L219 H222 P224 L229 L281 Y284 R288 N289 S290	H47-Y286 HydrophobicContact CB-CD1 4.35Å; H47-Y286 AromaticContact CD2-CD1 3.77Å; H47-Y286 AromaticContact CE1-CD1 3.8Å; H47-Y286 AromaticContact CG-CD1 3.7Å; H47-Y286 AromaticContact ND1-CD1 3.7Å; H47-Y286 AromaticContact NE2-CD1 3.82Å; L219-Y286 HydrophobicContact CB-CE2 4.2Å; L219-Y286 HydrophobicContact CD2-CD1 3.96Å; L219-Y286 HydrophobicContact CD2-CD2 4.1Å; L219-Y286 HydrophobicContact CD2-CE1 3.75Å; L219-Y286 HydrophobicContact CD2-CE2 3.95Å; L219-Y286 HydrophobicContact CD2-CG 4.14Å; L219-Y286 VanDerWaalsContact O-CE2 3.25Å; L219-Y286 WeakPolarHBondContact O-CE2 3.44Å; L219-Y286 PolarHBondContact O-OH 3.21Å; H222-Y286 VanDerWaalsContact C-OH 3.3Å; H222-Y286 VanDerWaalsContact CB-OH 3.29Å; H222-Y286 WeakPolarHBondContact CB-OH 3.36Å; H222-Y286 AromaticContact CD2-CE1 3.97Å; H222-Y286 PolarHBondContact CD2-OH 2.86Å; H222-Y286 VanDerWaalsContact CD2-OH 3.31Å; H222-Y286 PolarHBondContact O-OH 2.96Å; P224-Y286 HydrophobicContact CB-CD1 3.91Å; P224-Y286 HydrophobicContact CB-CD2 4.3Å; P224-Y286 HydrophobicContact CB-CE1 3.83Å; P224-Y286 HydrophobicContact CB-CE2 4.18Å; P224-Y286 HydrophobicContact CB-CG 4.13Å; P224-Y286 HydrophobicContact CG-CD2 4.5Å; P224-Y286 HydrophobicContact CG-CE2 4.22Å; L229-Y286 HydrophobicContact CB-CE1 4.45Å; L229-Y286 HydrophobicContact CD1-CE1 4.39Å; L281-Y286 HydrophobicContact CD2-CD1 4.47Å; L281-Y286 HydrophobicContact CD2-CG 3.99Å; L281-Y286 PolarHBondContact O-N 3.17Å; L281-Y286 VanDerWaalsContact O-N 3.13Å; Y284-Y286 VanDerWaalsContact C-N 3.34Å; Y284-Y286 WeakPolarHBondContact O-CD2 3.29Å; Y284-Y286 VanDerWaalsContact O-CE2 3.28Å; Y284-Y286 WeakPolarHBondContact O-CE2 3.41Å; Y284-Y286 PolarHBondContact O-N 3.38Å; Y284-Y286 VanDerWaalsContact O-N 3.11Å; Y286-R288 VanDerWaalsContact C-N 3.26Å; Y286-R288 PolarHBondContact O-N 2.9Å; Y286-R288 VanDerWaalsContact O-N 3.08Å; Y286-N289 CarbonylContact O-C 3.58Å; Y286-N289 PolarHBondContact O-N 3.46Å; Y286-S290 VanDerWaalsContact C-OG 3.23Å; Y286-S290 PolarHBondContact O-N 3.37Å; Y286-S290 PolarHBondContact O-OG 2.92Å
287	Y	98.3	Very high	98.5	Very high	41 Å²	41	40.5 Å²	40.5	16%	0.161	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-54.7	-36.4	-163	-174.7	-91.9	0	0	0	114.4	L281 R282 G285 N289 S290 H330 P332	L281-Y287 HydrophobicContact CB-CD2 4.33Å; L281-Y287 WeakPolarHBondContact O-CB 3.47Å; L281-Y287 PolarHBondContact O-N 2.88Å; R282-Y287 HydrophobicContact CG-CD1 4.03Å; R282-Y287 HydrophobicContact CG-CD2 3.51Å; R282-Y287 HydrophobicContact CG-CE2 4.06Å; R282-Y287 HydrophobicContact CG-CG 3.47Å; R282-Y287 VanDerWaalsContact CG-CG 3.47Å; R282-Y287 VanDerWaalsContact NE-CE2 3.32Å; R282-Y287 PolarHBondContact NH2-OH 3.13Å; G285-Y287 PolarHBondContact O-N 3.26Å; Y287-N289 VanDerWaalsContact C-N 3.31Å; Y287-N289 PolarHBondContact O-N 3.13Å; Y287-S290 PolarHBondContact O-N 3.27Å; Y287-H330 AromaticContact CZ-NE2 3.72Å; Y287-H330 PolarHBondContact OH-NE2 3.3Å; Y287-P332 HydrophobicContact CD1-CG 4.2Å; Y287-P332 HydrophobicContact CE1-CG 4.04Å; Y287-P332 WeakPolarHBondContact O-CG 3.42Å
288	R	97.6	Very high	98.5	Very high	217 Å²	217	40.5 Å²	40.5	82%	0.819	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-64.6	-33.5	-178.7	-73.4	-173.8	176	-175.2	-0.3	112.9	Y286	Y286-R288 VanDerWaalsContact C-N 3.26Å; Y286-R288 PolarHBondContact O-N 2.9Å; Y286-R288 VanDerWaalsContact O-N 3.08Å
289	N	97.9	Very high	98.5	Very high	42 Å²	42	40 Å²	40	23%	0.225	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-113.7	34.9	178.6	-160.5	27.7	0	0	0	112.1	Q44 P46 H47 Y286 Y287 L333	Q44-N289 PolarHBondContact O-ND2 2.97Å; P46-N289 CarbonylContact C-O 3.54Å; P46-N289 VanDerWaalsContact CA-O 3.27Å; P46-N289 WeakPolarHBondContact CA-O 3.45Å; P46-N289 WeakPolarHBondContact CB-O 3.46Å; H47-N289 PolarHBondContact CD2-O 3.08Å; H47-N289 PolarHBondContact N-O 3.13Å; Y286-N289 CarbonylContact O-C 3.58Å; Y286-N289 PolarHBondContact O-N 3.46Å; Y287-N289 VanDerWaalsContact C-N 3.31Å; Y287-N289 PolarHBondContact O-N 3.13Å; N289-L333 WeakPolarHBondContact OD1-CD1 3.42Å
290	S	98.6	Very high	98.4	Very high	5 Å²	5	33.3 Å²	33.3	4%	0.035	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	135.9	179.5	-67.8	0	0	0	0	112.4	H47 Y286 Y287 S331	H47-S290 CarbonylContact O-C 3.59Å; H47-S290 WeakPolarHBondContact O-CA 3.23Å; Y286-S290 VanDerWaalsContact C-OG 3.23Å; Y286-S290 PolarHBondContact O-N 3.37Å; Y286-S290 PolarHBondContact O-OG 2.92Å; Y287-S290 PolarHBondContact O-N 3.27Å; S290-S331 VanDerWaalsContact O-CB 3.3Å; S290-S331 WeakPolarHBondContact O-CB 3.34Å; S290-S331 PolarHBondContact O-OG 3.49Å
291	V	98.9	Very high	98.2	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	112.3	160.9	-175.5	0	0	0	0	108.4	P46 H47 I49 I293 V329 L333 L357 W374	P46-V291 HydrophobicContact CB-CG2 4.09Å; P46-V291 HydrophobicContact CG-CG2 4.24Å; H47-V291 PolarHBondContact O-N 2.71Å; I49-V291 PolarHBondContact N-O 3.28Å; V291-I293 HydrophobicContact CG1-CD1 3.87Å; V291-I293 HydrophobicContact CG1-CG1 4.32Å; V291-V329 HydrophobicContact CG1-CG1 3.97Å; V291-L333 HydrophobicContact CG2-CD1 4.11Å; V291-L357 HydrophobicContact CG2-CD1 4.4Å; V291-W374 HydrophobicContact CG1-CH2 4.18Å; V291-W374 HydrophobicContact CG1-CZ3 3.92Å; V291-W374 HydrophobicContact CG2-CH2 4.01Å; V291-W374 HydrophobicContact CG2-CZ3 4.43Å
292	L	98.9	Very high	97.9	Very high	5 Å²	5	34.8 Å²	34.8	3%	0.026	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	125.2	173.5	-175.5	154.8	0	0	0	109.2	I49 I51 T278 F328 V329 H330	I49-L292 HydrophobicContact CB-CB 4.49Å; I49-L292 WeakPolarHBondContact O-CA 3.35Å; I51-L292 HydrophobicContact CD1-CD1 3.88Å; I51-L292 HydrophobicContact CD1-CD2 4.07Å; I51-L292 HydrophobicContact CD1-CG 3.92Å; T278-L292 HydrophobicContact CG2-CD1 3.55Å; L292-F328 HydrophobicContact CD2-CE2 4.02Å; L292-V329 WeakPolarHBondContact O-CA 3.31Å; L292-H330 HydrophobicContact CB-CB 4.49Å; L292-H330 WeakPolarHBondContact CB-O 3.47Å; L292-H330 HydrophobicContact CD2-CB 4.38Å; L292-H330 PolarHBondContact N-O 3.25Å; L292-H330 PolarHBondContact O-N 2.99Å
293	I	98.9	Very high	97.3	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	133.2	174.1	-53.1	90.5	0	0	0	107.7	I48 I49 F50 I51 V291 V329 W350 L354	I48-I293 HydrophobicContact CG2-CD1 4.13Å; I49-I293 PolarHBondContact O-N 3.04Å; F50-I293 HydrophobicContact CD2-CB 3.83Å; F50-I293 HydrophobicContact CD2-CD1 4.23Å; F50-I293 HydrophobicContact CD2-CG1 4.26Å; F50-I293 HydrophobicContact CD2-CG2 3.97Å; F50-I293 HydrophobicContact CE2-CB 4.05Å; F50-I293 HydrophobicContact CE2-CG2 3.64Å; F50-I293 HydrophobicContact CG-CB 4.36Å; F50-I293 HydrophobicContact CZ-CG2 4.08Å; I51-I293 PolarHBondContact N-O 3.11Å; V291-I293 HydrophobicContact CG1-CD1 3.87Å; V291-I293 HydrophobicContact CG1-CG1 4.32Å; I293-V329 HydrophobicContact CG1-CG2 4.35Å; I293-V329 HydrophobicContact CG2-CG2 4.43Å; I293-W350 HydrophobicContact CG1-CE3 4.43Å; I293-W350 HydrophobicContact CG1-CH2 4.34Å; I293-W350 HydrophobicContact CG1-CZ3 4.02Å; I293-W350 HydrophobicContact CG2-CD2 4.43Å; I293-W350 HydrophobicContact CG2-CE3 4.43Å; I293-W350 HydrophobicContact CG2-CH2 3.67Å; I293-W350 HydrophobicContact CG2-CZ2 3.61Å; I293-W350 HydrophobicContact CG2-CZ3 4.07Å; I293-L354 HydrophobicContact CD1-CD2 3.91Å
294	F	98.9	Very high	96.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	134.8	170.2	-174.5	-90.4	0	0	0	109.4	I51 T53 I61 L73 V270 V274 V326 G327 F328	I51-F294 HydrophobicContact CB-CD2 4.12Å; I51-F294 HydrophobicContact CG2-CD2 3.73Å; I51-F294 HydrophobicContact CG2-CE2 3.97Å; I51-F294 WeakPolarHBondContact O-CA 3.27Å; T53-F294 HydrophobicContact CG2-CE2 3.92Å; T53-F294 HydrophobicContact CG2-CZ 3.8Å; I61-F294 HydrophobicContact CD1-CE1 4.31Å; L73-F294 HydrophobicContact CD1-CE1 4.21Å; L73-F294 HydrophobicContact CD1-CE2 4.01Å; L73-F294 HydrophobicContact CD1-CZ 3.65Å; L73-F294 HydrophobicContact CD2-CD2 3.99Å; L73-F294 HydrophobicContact CD2-CE2 3.75Å; L73-F294 HydrophobicContact CD2-CZ 4.23Å; V270-F294 HydrophobicContact CG1-CE2 3.95Å; V270-F294 HydrophobicContact CG1-CZ 4.22Å; V274-F294 HydrophobicContact CG2-CD2 4.44Å; V274-F294 HydrophobicContact CG2-CE2 4.33Å; F294-V326 HydrophobicContact CE1-CG1 4.27Å; F294-G327 CarbonylContact O-C 3.46Å; F294-G327 WeakPolarHBondContact O-CA 3.34Å; F294-F328 HydrophobicContact CB-CD1 3.83Å; F294-F328 HydrophobicContact CB-CD2 4.09Å; F294-F328 HydrophobicContact CB-CE1 3.48Å; F294-F328 VanDerWaalsContact CB-CE1 3.48Å; F294-F328 HydrophobicContact CB-CE2 3.75Å; F294-F328 HydrophobicContact CB-CG 4.12Å; F294-F328 HydrophobicContact CB-CZ 3.44Å; F294-F328 VanDerWaalsContact CB-CZ 3.44Å; F294-F328 AromaticContact CD1-CD1 3.88Å; F294-F328 HydrophobicContact CD1-CD1 3.88Å; F294-F328 AromaticContact CD1-CE1 3.49Å; F294-F328 HydrophobicContact CD1-CE1 3.49Å; F294-F328 VanDerWaalsContact CD1-CE1 3.49Å; F294-F328 HydrophobicContact CD1-CZ 4.22Å; F294-F328 HydrophobicContact CD2-CE1 4.3Å; F294-F328 HydrophobicContact CD2-CZ 4.28Å; F294-F328 HydrophobicContact CE1-CE1 4.29Å; F294-F328 HydrophobicContact CG-CD1 4.11Å; F294-F328 AromaticContact CG-CE1 3.49Å; F294-F328 HydrophobicContact CG-CE1 3.49Å; F294-F328 VanDerWaalsContact CG-CE1 3.49Å; F294-F328 AromaticContact CG-CZ 3.73Å; F294-F328 HydrophobicContact CG-CZ 3.73Å; F294-F328 PolarHBondContact N-O 2.75Å; F294-F328 PolarHBondContact O-N 3.09Å
295	S	98.9	Very high	96.7	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	145.8	178.9	-172	0	0	0	0	110.1	I51 L52 T53 Y86 V326	I51-S295 PolarHBondContact O-N 3.19Å; L52-S295 CarbonylContact C-O 3.43Å; L52-S295 VanDerWaalsContact CA-O 3.29Å; L52-S295 WeakPolarHBondContact CA-O 3.33Å; T53-S295 PolarHBondContact N-O 3.05Å; T53-S295 PolarHBondContact OG1-O 2.88Å; Y86-S295 WeakPolarHBondContact CE1-OG 3.22Å; Y86-S295 PolarHBondContact OH-OG 2.82Å; S295-V326 WeakPolarHBondContact CA-O 3.22Å
296	T	98.9	Very high	96.6	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.006	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	163.5	153.6	-167.9	0	0	0	0	110.3	L52 T53 Q56 N298 V326	L52-T296 WeakPolarHBondContact CD1-O 3.28Å; T53-T296 CarbonylContact O-C 3.56Å; T53-T296 WeakPolarHBondContact OG1-CA 3.15Å; Q56-T296 PolarHBondContact N-OG1 3.5Å; Q56-T296 VanDerWaalsContact O-CB 3.31Å; Q56-T296 WeakPolarHBondContact O-CB 3.42Å; Q56-T296 PolarHBondContact O-OG1 3.3Å; T296-N298 PolarHBondContact OG1-O 3.44Å; T296-V326 PolarHBondContact N-O 2.77Å
297	D	98.6	Very high	96.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	-92.6	-28.8	169.5	79.6	-22.4	0	0	0	113.5	L52 T53 D54 D55 V88 C92 S95 R96	L52-D297 HydrophobicContact CD1-CB 3.86Å; L52-D297 HydrophobicContact CD2-CB 4.02Å; L52-D297 HydrophobicContact CG-CB 4.01Å; T53-D297 PolarHBondContact O-N 2.85Å; D54-D297 WeakPolarHBondContact CA-OD1 3.25Å; D55-D297 PolarHBondContact N-OD1 2.96Å; V88-D297 WeakPolarHBondContact CB-O 3.47Å; V88-D297 WeakPolarHBondContact CG2-O 3.46Å; C92-D297 VanDerWaalsContact CA-OD2 3.22Å; C92-D297 WeakPolarHBondContact CA-OD2 3.43Å; C92-D297 WeakPolarHBondContact CB-OD2 3.48Å; S95-D297 WeakPolarHBondContact CB-O 3.36Å; S95-D297 PolarHBondContact OG-O 2.88Å; R96-D297 IonicContact CZ-OD2 3.75Å; R96-D297 IonicContact NE-OD2 3.99Å; R96-D297 PolarHBondContact NE-OD2 3.36Å; R96-D297 IonicContact NH2-OD2 3.77Å; R96-D297 PolarHBondContact NH2-OD2 2.79Å
298	N	98.8	Very high	96.5	Very high	0 Å²	0	21 Å²	21	0%	0	9%	0.093	C	C	.	.	S	Bend	trans	-152.6	164.4	170.8	51.4	-129.9	0	0	0	111	D55 Q89 P90 I91 C92 T296	D55-N298 PolarHBondContact OD1-ND2 3.37Å; Q89-N298 VanDerWaalsContact O-CB 3.29Å; Q89-N298 WeakPolarHBondContact O-CB 3.1Å; P90-N298 VanDerWaalsContact C-CB 3.46Å; I91-N298 VanDerWaalsContact C-OD1 3.27Å; I91-N298 WeakPolarHBondContact CA-OD1 3.2Å; C92-N298 PolarHBondContact N-OD1 2.88Å; C92-N298 VanDerWaalsContact N-OD1 3.08Å; C92-N298 PolarHBondContact SG-OD1 3.34Å; C92-N298 VanDerWaalsContact SG-OD1 3.4Å; T296-N298 PolarHBondContact OG1-O 3.44Å
299	G	98.3	Very high	96.4	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.067	C	C	.	.			trans	-56.6	160.1	168.7	0	0	0	0	0	112.5	K315 G322	G299-K315 WeakPolarHBondContact O-CB 3.49Å; G299-G322 PolarHBondContact N-O 3.24Å
300	A	96.8	Very high	96.3	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.067	C	C	.	.			trans	-66	161.7	-175.2	0	0	0	0	0	113.8	P302 N308 R314 K315	A300-P302 WeakPolarHBondContact O-CD 3.47Å; A300-N308 WeakPolarHBondContact CB-OD1 3.39Å; A300-N308 PolarHBondContact N-ND2 3.38Å; A300-N308 PolarHBondContact N-OD1 3.35Å; A300-N308 PolarHBondContact O-ND2 2.64Å; A300-R314 WeakPolarHBondContact O-CB 3.16Å; A300-K315 PolarHBondContact O-N 2.86Å
301	Q	94.4	Very high	96.2	Very high	33 Å²	33	13.7 Å²	13.7	15%	0.154	7%	0.066	C	C	.	.			trans	-99.9	104.5	162.7	-178.9	61.4	-100.9	0	0	110.3	F303 T304 G306 K315	Q301-F303 VanDerWaalsContact C-N 3.31Å; Q301-F303 PolarHBondContact O-N 2.98Å; Q301-T304 WeakPolarHBondContact CB-OG1 3.14Å; Q301-T304 HydrophobicContact CG-CG2 3.96Å; Q301-T304 WeakPolarHBondContact CG-OG1 3.47Å; Q301-T304 CarbonylContact O-C 3.51Å; Q301-T304 PolarHBondContact O-N 2.86Å; Q301-T304 VanDerWaalsContact O-N 3.07Å; Q301-T304 PolarHBondContact O-OG1 2.85Å; Q301-T304 VanDerWaalsContact O-OG1 3.09Å; Q301-G306 PolarHBondContact O-N 3.31Å; Q301-K315 HydrophobicContact CB-CB 4.28Å; Q301-K315 HydrophobicContact CB-CD 4.41Å
302	P	91.8	Very high	96.1	Very high	1 Å²	1	14 Å²	14	1%	0.006	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	-64.5	-30.8	-176.4	-25.6	35.8	0	0	0	114.6	A300 T304 G305 G306 R314 V440 Q443	A300-P302 WeakPolarHBondContact O-CD 3.47Å; P302-T304 PolarHBondContact O-N 2.7Å; P302-T304 VanDerWaalsContact O-N 3.16Å; P302-G305 PolarHBondContact O-N 2.87Å; P302-G305 VanDerWaalsContact O-N 3.11Å; P302-G306 WeakPolarHBondContact CA-O 3.34Å; P302-R314 VanDerWaalsContact CD-CB 3.45Å; P302-R314 HydrophobicContact CG-CB 4.08Å; P302-V440 HydrophobicContact CB-CB 4.1Å; P302-V440 HydrophobicContact CB-CG1 3.75Å; P302-V440 HydrophobicContact CB-CG2 4.38Å; P302-V440 HydrophobicContact CG-CB 4.15Å; P302-V440 HydrophobicContact CG-CG1 4.36Å; P302-V440 HydrophobicContact CG-CG2 4.28Å; P302-Q443 PolarHBondContact O-NE2 3.19Å; P302-Q443 PolarHBondContact O-OE1 3.09Å
303	F	86.4	Confident	95.9	Very high	96 Å²	96	13.9 Å²	13.9	42%	0.421	7%	0.067	S	C	.	.	G	3₁₀ helix	trans	-68.6	-9	176.1	-56.2	-50.6	0	0	0	113.6	Q301 W453	Q301-F303 VanDerWaalsContact C-N 3.31Å; Q301-F303 PolarHBondContact O-N 2.98Å; F303-W453 AromaticContact CD1-CE3 3.61Å; F303-W453 HydrophobicContact CD1-CE3 3.61Å; F303-W453 AromaticContact CD1-CZ3 3.76Å; F303-W453 HydrophobicContact CD1-CZ3 3.76Å; F303-W453 HydrophobicContact CE1-CD2 4.41Å; F303-W453 AromaticContact CE1-CE3 3.73Å; F303-W453 HydrophobicContact CE1-CE3 3.73Å; F303-W453 HydrophobicContact CE1-CZ3 4.36Å
304	T	90.7	Very high	95.7	Very high	32 Å²	32	16.3 Å²	16.3	20%	0.196	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-118.4	29.5	173.4	64.4	0	0	0	0	111.3	T240 L242 Y263 Q301 P302	T240-T304 HydrophobicContact CG2-CG2 3.44Å; T240-T304 VanDerWaalsContact CG2-CG2 3.44Å; L242-T304 WeakPolarHBondContact CD1-O 3.37Å; Y263-T304 WeakPolarHBondContact CD2-O 3.49Å; Q301-T304 WeakPolarHBondContact CB-OG1 3.14Å; Q301-T304 HydrophobicContact CG-CG2 3.96Å; Q301-T304 WeakPolarHBondContact CG-OG1 3.47Å; Q301-T304 CarbonylContact O-C 3.51Å; Q301-T304 PolarHBondContact O-N 2.86Å; Q301-T304 VanDerWaalsContact O-N 3.07Å; Q301-T304 PolarHBondContact O-OG1 2.85Å; Q301-T304 VanDerWaalsContact O-OG1 3.09Å; P302-T304 PolarHBondContact O-N 2.7Å; P302-T304 VanDerWaalsContact O-N 3.16Å
305	G	93	Very high	95.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.2	-0.8	169.4	0	0	0	0	0	116.5	R260 Y263 P302	R260-G305 WeakPolarHBondContact CD-O 3.49Å; R260-G305 PolarHBondContact NH1-O 3.44Å; Y263-G305 VanDerWaalsContact CD1-O 3.31Å; Y263-G305 WeakPolarHBondContact CD1-O 3.46Å; P302-G305 PolarHBondContact O-N 2.87Å; P302-G305 VanDerWaalsContact O-N 3.11Å
306	G	95.7	Very high	95.5	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.01	10%	0.1	C	C	.	.			trans	-78.9	175.6	171.7	0	0	0	0	0	113.4	D60 R260 Y263 Q301 P302	D60-G306 WeakPolarHBondContact OD2-CA 3.18Å; R260-G306 VanDerWaalsContact NH1-C 3.32Å; Y263-G306 VanDerWaalsContact CZ-CA 3.42Å; Q301-G306 PolarHBondContact O-N 3.31Å; P302-G306 WeakPolarHBondContact CA-O 3.34Å
307	S	96.5	Very high	95.4	Very high	3 Å²	3	19.4 Å²	19.4	2%	0.021	10%	0.1	C	C	.	.			trans	-152.6	134.7	177.7	-173.8	0	0	0	0	111.9	G57 F58 N59 D60	G57-S307 CarbonylContact C-O 3.56Å; G57-S307 WeakPolarHBondContact CA-O 3.49Å; F58-S307 PolarHBondContact N-O 2.88Å; N59-S307 VanDerWaalsContact CB-O 3.28Å; N59-S307 WeakPolarHBondContact CB-O 3.22Å; N59-S307 PolarHBondContact N-O 3.15Å; N59-S307 PolarHBondContact ND2-OG 3.36Å; D60-S307 PolarHBondContact OD1-N 3.18Å; D60-S307 PolarHBondContact OD2-N 3.21Å
308	N	97.4	Very high	95.4	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.016	10%	0.101	C	C	.	.			trans	-109.9	2.8	174.4	-55.9	-57.3	0	0	0	112.7	G57 F58 A300 L311 G313 G321	G57-N308 VanDerWaalsContact CA-OD1 3.29Å; G57-N308 WeakPolarHBondContact CA-OD1 3.48Å; F58-N308 HydrophobicContact CB-CB 4.47Å; F58-N308 PolarHBondContact N-OD1 3.24Å; A300-N308 WeakPolarHBondContact CB-OD1 3.39Å; A300-N308 PolarHBondContact N-ND2 3.38Å; A300-N308 PolarHBondContact N-OD1 3.35Å; A300-N308 PolarHBondContact O-ND2 2.64Å; N308-L311 HydrophobicContact CB-CB 4.44Å; N308-L311 WeakPolarHBondContact O-CA 3.44Å; N308-L311 WeakPolarHBondContact O-CB 3.35Å; N308-L311 WeakPolarHBondContact O-CG 3.36Å; N308-L311 PolarHBondContact O-N 3.32Å; N308-G313 PolarHBondContact ND2-O 3.08Å; N308-G321 PolarHBondContact ND2-O 3.37Å; N308-G321 PolarHBondContact OD1-O 3Å
309	W	95.6	Very high	95.4	Very high	73 Å²	73	20 Å²	20	28%	0.277	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	139.2	-175.5	-178.1	-92.3	0	0	0	112.3	N59 W439 P441 P442 E456	N59-W309 HydrophobicContact CB-CB 4.48Å; N59-W309 VanDerWaalsContact CB-O 3.22Å; N59-W309 WeakPolarHBondContact CB-O 3.31Å; N59-W309 VanDerWaalsContact CG-O 3.25Å; N59-W309 PolarHBondContact OD1-O 3.44Å; W309-W439 HydrophobicContact CE3-CB 4.33Å; W309-W439 HydrophobicContact CZ3-CB 3.87Å; W309-P441 HydrophobicContact CD2-CB 4.33Å; W309-P441 VanDerWaalsContact CE3-CA 3.48Å; W309-P441 HydrophobicContact CE3-CB 3.97Å; W309-P441 HydrophobicContact CH2-CB 4.46Å; W309-P441 HydrophobicContact CZ3-CB 4.03Å; W309-P442 HydrophobicContact CB-CG 4.16Å; W309-P442 HydrophobicContact CG-CG 4.11Å; W309-E456 WeakPolarHBondContact CH2-OE2 3.46Å; W309-E456 WeakPolarHBondContact CZ3-OE2 3.24Å
310	P	95.6	Very high	95.4	Very high	36 Å²	36	20 Å²	20	23%	0.234	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	cis	-86	12.8	0.2	34.5	-37.3	0	0	0	115.1	W439 Y476	P310-W439 VanDerWaalsContact O-CD1 3.31Å; P310-Y476 HydrophobicContact CB-CD1 4.3Å; P310-Y476 HydrophobicContact CB-CE1 4.22Å; P310-Y476 HydrophobicContact CB-CE2 4.46Å; P310-Y476 HydrophobicContact CG-CD1 4Å; P310-Y476 HydrophobicContact CG-CE1 3.46Å; P310-Y476 VanDerWaalsContact CG-CE1 3.46Å; P310-Y476 HydrophobicContact CG-CE2 4.14Å
311	L	97.5	Very high	95.4	Very high	2 Å²	2	20 Å²	20	1%	0.01	10%	0.102	C	C	.	.	S	Bend	trans	-68.1	153.6	175.7	-47.8	-176.1	0	0	0	111.9	F58 N308 E320 R324 Y476	F58-L311 HydrophobicContact CB-CD1 3.64Å; F58-L311 HydrophobicContact CB-CG 4.26Å; F58-L311 HydrophobicContact CD1-CD1 3.82Å; F58-L311 HydrophobicContact CD1-CD2 4.42Å; F58-L311 HydrophobicContact CD1-CG 3.9Å; F58-L311 HydrophobicContact CD2-CD1 3.72Å; F58-L311 HydrophobicContact CE1-CD1 4.44Å; F58-L311 HydrophobicContact CE1-CG 4.46Å; F58-L311 HydrophobicContact CE2-CD1 4.35Å; F58-L311 HydrophobicContact CG-CD1 3.42Å; F58-L311 VanDerWaalsContact CG-CD1 3.42Å; F58-L311 HydrophobicContact CG-CG 4.01Å; N308-L311 HydrophobicContact CB-CB 4.44Å; N308-L311 WeakPolarHBondContact O-CA 3.44Å; N308-L311 WeakPolarHBondContact O-CB 3.35Å; N308-L311 WeakPolarHBondContact O-CG 3.36Å; N308-L311 PolarHBondContact O-N 3.32Å; L311-E320 HydrophobicContact CB-CB 4.15Å; L311-E320 HydrophobicContact CD1-CB 4.3Å; L311-E320 HydrophobicContact CD2-CB 4.32Å; L311-R324 HydrophobicContact CD1-CB 3.9Å; L311-R324 HydrophobicContact CD1-CG 4.32Å; L311-Y476 HydrophobicContact CD2-CD1 3.93Å; L311-Y476 HydrophobicContact CD2-CE1 4.12Å
312	R	95.7	Very high	95.6	Very high	7 Å²	7	18.4 Å²	18.4	3%	0.026	10%	0.095	C	C	.	.	S	Bend	trans	-80.7	140.7	-178.9	-167.7	173.1	-174.1	163.6	3.5	112.4	W319 G321 G437 W439 N458 E477	R312-W319 HydrophobicContact CB-CB 4.14Å; R312-W319 HydrophobicContact CG-CB 4.17Å; R312-W319 HydrophobicContact CG-CD2 4.24Å; R312-W319 HydrophobicContact CG-CE3 4.32Å; R312-W319 HydrophobicContact CG-CG 4.18Å; R312-W319 WeakPolarHBondContact O-CB 3.48Å; R312-G321 WeakPolarHBondContact O-CA 3.34Å; R312-G321 PolarHBondContact O-N 3.37Å; R312-G437 PolarHBondContact NE-O 2.86Å; R312-G437 PolarHBondContact NH2-O 2.94Å; R312-W439 HydrophobicContact CB-CD2 4.41Å; R312-W439 HydrophobicContact CB-CG 4.45Å; R312-W439 HydrophobicContact CB-CZ2 4.29Å; R312-W439 VanDerWaalsContact CD-CZ2 3.48Å; R312-W439 HydrophobicContact CG-CD2 4.03Å; R312-W439 HydrophobicContact CG-CG 4.42Å; R312-W439 HydrophobicContact CG-CH2 4.47Å; R312-W439 HydrophobicContact CG-CZ2 3.92Å; R312-W439 VanDerWaalsContact CZ-CH2 3.43Å; R312-N458 VanDerWaalsContact NH2-CG 3.27Å; R312-N458 PolarHBondContact NH2-ND2 2.8Å; R312-E477 HydrophobicContact CB-CB 4.33Å; R312-E477 PolarHBondContact NH1-O 2.74Å
313	G	95.3	Very high	96	Very high	3 Å²	3	18.3 Å²	18.3	3%	0.031	10%	0.095	C	C	.	.			trans	72.5	-157.1	172.5	0	0	0	0	0	115.2	N308 D438	N308-G313 PolarHBondContact ND2-O 3.08Å; G313-D438 WeakPolarHBondContact CA-O 3.47Å; G313-D438 PolarHBondContact N-O 2.82Å
314	R	95.5	Very high	96.6	Very high	51 Å²	51	15.2 Å²	15.2	19%	0.192	8%	0.08	C	C	.	.			trans	-162	178.5	-163.5	58.4	-176.3	-178.9	109.5	6.4	114	A300 P302 G316 T317 G321 G322	A300-R314 WeakPolarHBondContact O-CB 3.16Å; P302-R314 VanDerWaalsContact CD-CB 3.45Å; P302-R314 HydrophobicContact CG-CB 4.08Å; R314-G316 PolarHBondContact O-N 3.17Å; R314-T317 HydrophobicContact CG-CG2 3.92Å; R314-T317 PolarHBondContact N-OG1 3.06Å; R314-T317 WeakPolarHBondContact O-CB 3.31Å; R314-T317 PolarHBondContact O-N 3.42Å; R314-T317 PolarHBondContact O-OG1 2.81Å; R314-G321 WeakPolarHBondContact CA-O 3.41Å; R314-G322 VanDerWaalsContact O-CA 3.27Å; R314-G322 WeakPolarHBondContact O-CA 3.37Å
315	K	97.1	Very high	96.9	Very high	28 Å²	28	13.7 Å²	13.7	12%	0.122	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-40.1	132	164.6	-177.2	171.7	-179.4	167.7	0	111.9	D55 I91 H239 G299 A300 Q301 T317	D55-K315 VanDerWaalsContact OD1-CD 3.31Å; D55-K315 WeakPolarHBondContact OD1-CD 3.4Å; D55-K315 VanDerWaalsContact OD1-CE 3.31Å; D55-K315 WeakPolarHBondContact OD1-CE 3.36Å; D55-K315 IonicContact OD1-NZ 2.73Å; D55-K315 PolarHBondContact OD1-NZ 3.17Å; D55-K315 VanDerWaalsContact OD2-CD 3.24Å; D55-K315 WeakPolarHBondContact OD2-CD 3.19Å; D55-K315 IonicContact OD2-NZ 3.17Å; D55-K315 PolarHBondContact OD2-NZ 3.49Å; I91-K315 HydrophobicContact CG2-CG 4.12Å; H239-K315 PolarHBondContact CD2-NZ 2.62Å; H239-K315 PolarHBondContact NE2-NZ 3.24Å; G299-K315 WeakPolarHBondContact O-CB 3.49Å; A300-K315 PolarHBondContact O-N 2.86Å; Q301-K315 HydrophobicContact CB-CB 4.28Å; Q301-K315 HydrophobicContact CB-CD 4.41Å; K315-T317 VanDerWaalsContact C-N 3.35Å
316	G	96.4	Very high	97.2	Very high	36 Å²	36	13.8 Å²	13.8	37%	0.371	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	5.9	-177.4	0	0	0	0	0	115.2	P90 R314	P90-G316 PolarHBondContact O-N 3.21Å; R314-G316 PolarHBondContact O-N 3.17Å
317	T	96.9	Very high	97.3	Very high	3 Å²	3	13.8 Å²	13.8	2%	0.018	7%	0.072	C	C	.	.	S	Bend	trans	-123	151.4	179.9	77.1	0	0	0	0	111.2	P90 R314 K315 W319 G322 P434 H436	P90-T317 VanDerWaalsContact CB-O 3.24Å; P90-T317 WeakPolarHBondContact CB-O 3.44Å; R314-T317 HydrophobicContact CG-CG2 3.92Å; R314-T317 PolarHBondContact N-OG1 3.06Å; R314-T317 WeakPolarHBondContact O-CB 3.31Å; R314-T317 PolarHBondContact O-N 3.42Å; R314-T317 PolarHBondContact O-OG1 2.81Å; K315-T317 VanDerWaalsContact C-N 3.35Å; T317-W319 VanDerWaalsContact C-N 3.33Å; T317-G322 WeakPolarHBondContact O-CA 3.19Å; T317-P434 CarbonylContact C-O 3.46Å; T317-P434 VanDerWaalsContact CA-O 3.27Å; T317-P434 WeakPolarHBondContact CA-O 3.28Å; T317-P434 WeakPolarHBondContact CB-O 3.26Å; T317-H436 HydrophobicContact CG2-CB 4.25Å
318	Y	97.6	Very high	97.4	Very high	6 Å²	6	13.7 Å²	13.7	2%	0.024	7%	0.071	C	C	.	.	S	Bend	trans	-91.2	-1.1	-173.4	-68.9	22.8	0	0	0	112.3	P90 N391 Q419 A421 K428 P434	P90-Y318 HydrophobicContact CG-CD1 3.87Å; P90-Y318 HydrophobicContact CG-CE1 3.9Å; Y318-N391 HydrophobicContact CE2-CB 3.89Å; Y318-N391 PolarHBondContact OH-ND2 2.71Å; Y318-Q419 HydrophobicContact CD2-CG 4.15Å; Y318-Q419 HydrophobicContact CE1-CG 4.07Å; Y318-Q419 VanDerWaalsContact CE1-OE1 3.3Å; Y318-Q419 HydrophobicContact CE2-CG 3.63Å; Y318-Q419 VanDerWaalsContact CZ-CD 3.49Å; Y318-Q419 PolarHBondContact OH-OE1 3.35Å; Y318-A421 HydrophobicContact CD2-CB 3.65Å; Y318-A421 HydrophobicContact CG-CB 4.28Å; Y318-K428 VanDerWaalsContact O-CE 3.31Å; Y318-K428 WeakPolarHBondContact O-CE 3.26Å; Y318-K428 PolarHBondContact O-NZ 3.22Å; Y318-P434 PolarHBondContact N-O 2.77Å
319	W	98.3	Very high	97.5	Very high	5 Å²	5	13.5 Å²	13.5	2%	0.019	7%	0.07	C	C	.	.	S	Bend	trans	-60.4	159.2	167.2	-52.3	112.9	0	0	0	111.8	R312 T317 G321 G322 V323 L430 P434 G435 W467 F469 E477	R312-W319 HydrophobicContact CB-CB 4.14Å; R312-W319 HydrophobicContact CG-CB 4.17Å; R312-W319 HydrophobicContact CG-CD2 4.24Å; R312-W319 HydrophobicContact CG-CE3 4.32Å; R312-W319 HydrophobicContact CG-CG 4.18Å; R312-W319 WeakPolarHBondContact O-CB 3.48Å; T317-W319 VanDerWaalsContact C-N 3.33Å; W319-G321 VanDerWaalsContact C-N 3.26Å; W319-G321 PolarHBondContact O-N 3.27Å; W319-G322 PolarHBondContact O-N 3.14Å; W319-V323 PolarHBondContact O-N 2.79Å; W319-L430 HydrophobicContact CD2-CD2 4.29Å; W319-L430 HydrophobicContact CE3-CD2 3.95Å; W319-L430 HydrophobicContact CZ3-CD1 4.37Å; W319-L430 HydrophobicContact CZ3-CD2 4.24Å; W319-P434 HydrophobicContact CD2-CB 4.39Å; W319-P434 HydrophobicContact CH2-CB 4.46Å; W319-P434 HydrophobicContact CH2-CG 4.29Å; W319-P434 HydrophobicContact CZ2-CB 3.79Å; W319-P434 HydrophobicContact CZ2-CG 3.92Å; W319-G435 PolarHBondContact NE1-O 3.1Å; W319-W467 AromaticContact CH2-CD1 3.95Å; W319-W467 HydrophobicContact CH2-CD2 4.12Å; W319-W467 HydrophobicContact CH2-CG 4.08Å; W319-W467 AromaticContact CH2-NE1 3.92Å; W319-F469 AromaticContact CZ3-CE2 3.76Å; W319-F469 HydrophobicContact CZ3-CE2 3.76Å; W319-F469 HydrophobicContact CZ3-CZ 4.01Å; W319-E477 VanDerWaalsContact CA-OE2 3.26Å; W319-E477 WeakPolarHBondContact CA-OE2 3.48Å; W319-E477 WeakPolarHBondContact CB-OE2 3.2Å; W319-E477 HydrophobicContact CE3-CB 4.48Å
320	E	98.8	Very high	97.7	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-53.6	-39.6	-174.8	-73	-64.5	94.3	0	0	113.1	Y87 L311 G322 V323 R324 K428 I471 E477	Y87-E320 WeakPolarHBondContact CE1-OE1 3.44Å; Y87-E320 PolarHBondContact OH-OE1 2.8Å; Y87-E320 PolarHBondContact OH-OE2 3.05Å; L311-E320 HydrophobicContact CB-CB 4.15Å; L311-E320 HydrophobicContact CD1-CB 4.3Å; L311-E320 HydrophobicContact CD2-CB 4.32Å; E320-G322 PolarHBondContact O-N 2.9Å; E320-V323 PolarHBondContact O-N 3.48Å; E320-R324 WeakPolarHBondContact O-CB 3.49Å; E320-R324 PolarHBondContact O-N 3.42Å; E320-R324 WeakPolarHBondContact OE2-CD 3.17Å; E320-R324 IonicContact OE2-CZ 3.55Å; E320-R324 IonicContact OE2-NH1 3.02Å; E320-R324 PolarHBondContact OE2-NH1 2.97Å; E320-K428 IonicContact OE1-NZ 2.65Å; E320-K428 PolarHBondContact OE1-NZ 3.35Å; E320-I471 HydrophobicContact CG-CD1 4.1Å; E320-I471 WeakPolarHBondContact OE2-CG2 3.24Å; E320-E477 HydrophobicContact CG-CG 3.95Å; E320-E477 PolarHBondContact N-OE2 2.82Å
321	G	98.3	Very high	97.8	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-72.2	-1	176.9	0	0	0	0	0	115.2	N308 R312 R314 W319	N308-G321 PolarHBondContact ND2-O 3.37Å; N308-G321 PolarHBondContact OD1-O 3Å; R312-G321 WeakPolarHBondContact O-CA 3.34Å; R312-G321 PolarHBondContact O-N 3.37Å; R314-G321 WeakPolarHBondContact CA-O 3.41Å; W319-G321 VanDerWaalsContact C-N 3.26Å; W319-G321 PolarHBondContact O-N 3.27Å
322	G	98.3	Very high	97.9	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-98.1	-39.8	164.5	0	0	0	0	0	113.2	G299 R314 T317 W319 E320	G299-G322 PolarHBondContact N-O 3.24Å; R314-G322 VanDerWaalsContact O-CA 3.27Å; R314-G322 WeakPolarHBondContact O-CA 3.37Å; T317-G322 WeakPolarHBondContact O-CA 3.19Å; W319-G322 PolarHBondContact O-N 3.14Å; E320-G322 PolarHBondContact O-N 2.9Å
323	V	98.8	Very high	98	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-109.2	-18.9	-167.9	-63.6	0	0	0	0	115.9	Y87 V88 P90 W319 E320 G325	Y87-V323 CarbonylContact C-O 3.59Å; Y87-V323 VanDerWaalsContact CA-O 3.32Å; Y87-V323 WeakPolarHBondContact CA-O 3.07Å; Y87-V323 HydrophobicContact CD1-CB 4.25Å; Y87-V323 HydrophobicContact CD1-CG2 3.92Å; Y87-V323 WeakPolarHBondContact CD1-O 3.21Å; Y87-V323 HydrophobicContact CE1-CG2 4.1Å; V88-V323 PolarHBondContact N-O 2.99Å; V88-V323 WeakPolarHBondContact O-CB 3.22Å; V88-V323 VanDerWaalsContact O-O 3.09Å; P90-V323 HydrophobicContact CB-CG1 3.97Å; P90-V323 HydrophobicContact CG-CG1 4.24Å; W319-V323 PolarHBondContact O-N 2.79Å; E320-V323 PolarHBondContact O-N 3.48Å; V323-G325 PolarHBondContact O-N 3.11Å
324	R	98.8	Very high	98.1	Very high	30 Å²	30	14.1 Å²	14.1	11%	0.113	8%	0.078	C	C	.	.	B	Isolated β-bridge	trans	-87	110.4	179.2	-165.9	-175.8	-169.1	143.3	-12	109.2	F58 E84 Y87 L311 E320	F58-R324 HydrophobicContact CD2-CG 4.47Å; F58-R324 HydrophobicContact CE2-CG 4.26Å; E84-R324 PolarHBondContact O-NE 2.8Å; E84-R324 PolarHBondContact O-NH2 2.92Å; Y87-R324 HydrophobicContact CD1-CB 4.24Å; Y87-R324 HydrophobicContact CE1-CB 3.84Å; Y87-R324 HydrophobicContact CE1-CG 4.08Å; L311-R324 HydrophobicContact CD1-CB 3.9Å; L311-R324 HydrophobicContact CD1-CG 4.32Å; E320-R324 WeakPolarHBondContact O-CB 3.49Å; E320-R324 PolarHBondContact O-N 3.42Å; E320-R324 WeakPolarHBondContact OE2-CD 3.17Å; E320-R324 IonicContact OE2-CZ 3.55Å; E320-R324 IonicContact OE2-NH1 3.02Å; E320-R324 PolarHBondContact OE2-NH1 2.97Å
325	G	98.4	Very high	98.2	Very high	1 Å²	1	20 Å²	20	1%	0.01	10%	0.101	C	C	.	.			trans	-89.7	146.5	-170.1	0	0	0	0	0	113.3	Y86 V323	Y86-G325 PolarHBondContact O-N 2.74Å; V323-G325 PolarHBondContact O-N 3.11Å
326	V	98.6	Very high	98.3	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.012	12%	0.117	C	C	.	.			trans	-64.9	131	157.9	179.8	0	0	0	0	108.3	G57 I61 F294 S295 T296	G57-V326 WeakPolarHBondContact O-CG2 3.42Å; I61-V326 HydrophobicContact CB-CG1 4.38Å; I61-V326 HydrophobicContact CD1-CG1 3.73Å; I61-V326 HydrophobicContact CG2-CG1 4.06Å; I61-V326 HydrophobicContact CG2-CG2 4.45Å; F294-V326 HydrophobicContact CE1-CG1 4.27Å; S295-V326 WeakPolarHBondContact CA-O 3.22Å; T296-V326 PolarHBondContact N-O 2.77Å
327	G	98.8	Very high	98.3	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.01	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	151.5	171.6	0	0	0	0	0	114.4	L83 F294	L83-G327 WeakPolarHBondContact CB-O 3.44Å; L83-G327 PolarHBondContact N-O 3.09Å; F294-G327 CarbonylContact O-C 3.46Å; F294-G327 WeakPolarHBondContact O-CA 3.34Å
328	F	98.9	Very high	98.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	159	172.7	64.9	-98.3	0	0	0	111.4	I61 Y63 L73 L76 A77 V81 L292 F294 H330	I61-F328 HydrophobicContact CD1-CE1 4.35Å; Y63-F328 HydrophobicContact CE1-CD1 4.35Å; L73-F328 HydrophobicContact CB-CE1 4.04Å; L73-F328 HydrophobicContact CB-CZ 4.24Å; L73-F328 HydrophobicContact CD2-CE1 4.37Å; L73-F328 HydrophobicContact CD2-CZ 4.1Å; L76-F328 HydrophobicContact CB-CD2 4.47Å; L76-F328 HydrophobicContact CB-CE2 3.6Å; L76-F328 HydrophobicContact CB-CZ 4.01Å; A77-F328 HydrophobicContact CB-CB 3.97Å; A77-F328 HydrophobicContact CB-CD1 3.74Å; A77-F328 HydrophobicContact CB-CD2 4.15Å; A77-F328 HydrophobicContact CB-CE1 4.23Å; A77-F328 HydrophobicContact CB-CG 3.69Å; V81-F328 CarbonylContact O-C 3.54Å; V81-F328 VanDerWaalsContact O-CA 3.25Å; V81-F328 WeakPolarHBondContact O-CA 3.46Å; V81-F328 WeakPolarHBondContact O-CB 3.27Å; L292-F328 HydrophobicContact CD2-CE2 4.02Å; F294-F328 HydrophobicContact CB-CD1 3.83Å; F294-F328 HydrophobicContact CB-CD2 4.09Å; F294-F328 HydrophobicContact CB-CE1 3.48Å; F294-F328 VanDerWaalsContact CB-CE1 3.48Å; F294-F328 HydrophobicContact CB-CE2 3.75Å; F294-F328 HydrophobicContact CB-CG 4.12Å; F294-F328 HydrophobicContact CB-CZ 3.44Å; F294-F328 VanDerWaalsContact CB-CZ 3.44Å; F294-F328 AromaticContact CD1-CD1 3.88Å; F294-F328 HydrophobicContact CD1-CD1 3.88Å; F294-F328 AromaticContact CD1-CE1 3.49Å; F294-F328 HydrophobicContact CD1-CE1 3.49Å; F294-F328 VanDerWaalsContact CD1-CE1 3.49Å; F294-F328 HydrophobicContact CD1-CZ 4.22Å; F294-F328 HydrophobicContact CD2-CE1 4.3Å; F294-F328 HydrophobicContact CD2-CZ 4.28Å; F294-F328 HydrophobicContact CE1-CE1 4.29Å; F294-F328 HydrophobicContact CG-CD1 4.11Å; F294-F328 AromaticContact CG-CE1 3.49Å; F294-F328 HydrophobicContact CG-CE1 3.49Å; F294-F328 VanDerWaalsContact CG-CE1 3.49Å; F294-F328 AromaticContact CG-CZ 3.73Å; F294-F328 HydrophobicContact CG-CZ 3.73Å; F294-F328 PolarHBondContact N-O 2.75Å; F294-F328 PolarHBondContact O-N 3.09Å; F328-H330 HydrophobicContact CE2-CB 4.48Å
329	V	98.9	Very high	98.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	131.1	171	-179.4	0	0	0	0	109.6	G80 V81 L83 V291 L292 I293 L334 W350 W374 I377	G80-V329 CarbonylContact C-O 3.31Å; G80-V329 VanDerWaalsContact CA-O 3.32Å; G80-V329 WeakPolarHBondContact CA-O 3.44Å; V81-V329 PolarHBondContact N-O 3.29Å; V81-V329 PolarHBondContact O-N 3.41Å; L83-V329 HydrophobicContact CD1-CG2 4.34Å; V291-V329 HydrophobicContact CG1-CG1 3.97Å; L292-V329 WeakPolarHBondContact O-CA 3.31Å; I293-V329 HydrophobicContact CG1-CG2 4.35Å; I293-V329 HydrophobicContact CG2-CG2 4.43Å; V329-L334 HydrophobicContact CG1-CD2 4.23Å; V329-W350 HydrophobicContact CG2-CH2 3.61Å; V329-W350 HydrophobicContact CG2-CZ3 4.19Å; V329-W374 HydrophobicContact CG1-CZ3 4.21Å; V329-I377 HydrophobicContact CB-CG2 3.92Å; V329-I377 HydrophobicContact CG1-CG2 4.13Å; V329-I377 HydrophobicContact CG2-CD1 4.34Å; V329-I377 HydrophobicContact CG2-CG2 3.96Å
330	H	98.9	Very high	98.4	Very high	12 Å²	12	41.1 Å²	41.1	6%	0.056	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	123.2	174.6	-177.6	96.5	0	0	0	109.9	L76 E79 Y287 L292 F328	L76-H330 HydrophobicContact CB-CB 4.21Å; L76-H330 HydrophobicContact CD2-CB 4.41Å; L76-H330 PolarHBondContact O-ND1 2.88Å; E79-H330 IonicContact OE2-CE1 2.7Å; E79-H330 PolarHBondContact OE2-CE1 3.42Å; Y287-H330 AromaticContact CZ-NE2 3.72Å; Y287-H330 PolarHBondContact OH-NE2 3.3Å; L292-H330 HydrophobicContact CB-CB 4.49Å; L292-H330 WeakPolarHBondContact CB-O 3.47Å; L292-H330 HydrophobicContact CD2-CB 4.38Å; L292-H330 PolarHBondContact N-O 3.25Å; L292-H330 PolarHBondContact O-N 2.99Å; F328-H330 HydrophobicContact CE2-CB 4.48Å
331	S	98.7	Very high	98.4	Very high	4 Å²	4	41.3 Å²	41.3	3%	0.028	19%	0.187	C	C	.	.			trans	-159.6	143.7	173.6	-175.6	0	0	0	0	111.6	S290 L333 L334	S290-S331 VanDerWaalsContact O-CB 3.3Å; S290-S331 WeakPolarHBondContact O-CB 3.34Å; S290-S331 PolarHBondContact O-OG 3.49Å; S331-L333 PolarHBondContact O-N 3.29Å; S331-L333 WeakPolarHBondContact OG-CB 3.36Å; S331-L333 WeakPolarHBondContact OG-CG 3.42Å; S331-L333 PolarHBondContact OG-N 3.15Å; S331-L334 PolarHBondContact O-N 3.42Å
332	P	98.1	Very high	98.4	Very high	46 Å²	46	49.2 Å²	49.2	30%	0.299	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-23.9	163.1	-25.7	37.5	0	0	0	113.6	Y287 K337	Y287-P332 HydrophobicContact CD1-CG 4.2Å; Y287-P332 HydrophobicContact CE1-CG 4.04Å; Y287-P332 WeakPolarHBondContact O-CG 3.42Å; P332-K337 WeakPolarHBondContact O-CE 3.27Å; P332-K337 PolarHBondContact O-NZ 2.8Å
333	L	98.1	Very high	98.4	Very high	66 Å²	66	50.4 Å²	50.4	35%	0.346	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-6.7	-175.4	-49.8	173.8	0	0	0	114.6	P46 N289 V291 S331	P46-L333 HydrophobicContact CB-CD1 3.6Å; P46-L333 HydrophobicContact CG-CD1 4.42Å; N289-L333 WeakPolarHBondContact OD1-CD1 3.42Å; V291-L333 HydrophobicContact CG2-CD1 4.11Å; S331-L333 PolarHBondContact O-N 3.29Å; S331-L333 WeakPolarHBondContact OG-CB 3.36Å; S331-L333 WeakPolarHBondContact OG-CG 3.42Å; S331-L333 PolarHBondContact OG-N 3.15Å
334	L	98.6	Very high	98.4	Very high	5 Å²	5	51 Å²	51	3%	0.026	23%	0.234	C	C	.	.			trans	-62	133.3	169.9	-70.8	164.7	0	0	0	109.4	V81 V329 S331 K337 W374 I377 S378	V81-L334 HydrophobicContact CG2-CD1 4.08Å; V81-L334 HydrophobicContact CG2-CD2 4.09Å; V329-L334 HydrophobicContact CG1-CD2 4.23Å; S331-L334 PolarHBondContact O-N 3.42Å; L334-K337 HydrophobicContact CB-CG 3.73Å; L334-K337 HydrophobicContact CD1-CG 4.48Å; L334-K337 WeakPolarHBondContact O-CE 3.48Å; L334-W374 HydrophobicContact CD2-CH2 3.85Å; L334-W374 HydrophobicContact CD2-CZ3 4.12Å; L334-W374 HydrophobicContact CG-CH2 4.37Å; L334-I377 HydrophobicContact CD2-CG2 3.81Å; L334-S378 WeakPolarHBondContact CA-OG 3.42Å
335	R	98.1	Very high	98.4	Very high	176 Å²	176	49.7 Å²	49.7	66%	0.664	23%	0.229	S	C	*	.	S	Bend	trans	-75.1	-51.2	174.2	-66.2	-179.5	67.7	-178.8	4.2	110.9	S378 E379	R335-S378 WeakPolarHBondContact CB-O 3.48Å; R335-S378 PolarHBondContact N-O 2.78Å; R335-S378 PolarHBondContact N-OG 3.44Å; R335-E379 VanDerWaalsContact CD-OE1 3.23Å; R335-E379 WeakPolarHBondContact CD-OE1 3.3Å; R335-E379 IonicContact CZ-OE1 3.15Å; R335-E379 IonicContact NE-OE1 3.8Å; R335-E379 IonicContact NH1-OE1 2.65Å; R335-E379 PolarHBondContact NH1-OE1 2.85Å
336	N	97.9	Very high	98.4	Very high	86 Å²	86	49.7 Å²	49.7	46%	0.46	23%	0.229	S	C	.	.	S	Bend	trans	-110	95.9	-176.9	-70.1	-14.7	0	0	0	110.5	R339 S378 E379	N336-R339 PolarHBondContact O-NE 2.74Å; N336-S378 PolarHBondContact N-O 3.43Å; N336-E379 PolarHBondContact ND2-O 3.35Å
337	K	97.2	Very high	98.4	Very high	96 Å²	96	49.6 Å²	49.6	42%	0.417	23%	0.228	S	C	.	.			trans	-92	175.9	-175	-62.1	174.8	-168.9	173	0	112.2	P332 L334 R339	P332-K337 WeakPolarHBondContact O-CE 3.27Å; P332-K337 PolarHBondContact O-NZ 2.8Å; L334-K337 HydrophobicContact CB-CG 3.73Å; L334-K337 HydrophobicContact CD1-CG 4.48Å; L334-K337 WeakPolarHBondContact O-CE 3.48Å; K337-R339 PolarHBondContact O-N 3.31Å
338	R	98.3	Very high	98.4	Very high	203 Å²	203	49.6 Å²	49.6	77%	0.766	23%	0.228	S	C	*	.	S	Bend	trans	55.9	44.3	172.5	-55.1	-175.4	173.2	172.6	-2.9	114.3	S78 G80	S78-R338 WeakPolarHBondContact O-CA 3.38Å; S78-R338 WeakPolarHBondContact O-CG 3.07Å; G80-R338 WeakPolarHBondContact O-CA 3.28Å; G80-R338 PolarHBondContact O-N 2.7Å
339	R	98.1	Very high	98.4	Very high	58 Å²	58	49.6 Å²	49.6	22%	0.219	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	161	-174	70.1	175.8	-164.9	93.7	0.9	114.2	G80 V81 K82 N336 K337 S341 T376 I377	G80-R339 PolarHBondContact O-N 3.31Å; V81-R339 WeakPolarHBondContact CA-O 3.36Å; V81-R339 HydrophobicContact CG1-CG 4.22Å; V81-R339 HydrophobicContact CG2-CG 3.99Å; K82-R339 PolarHBondContact N-O 2.96Å; N336-R339 PolarHBondContact O-NE 2.74Å; K337-R339 PolarHBondContact O-N 3.31Å; R339-S341 PolarHBondContact NH1-OG 2.73Å; R339-T376 PolarHBondContact NH2-O 2.63Å; R339-I377 PolarHBondContact NH2-O 2.7Å
340	V	98.6	Very high	98.4	Very high	78 Å²	78	49.8 Å²	49.8	47%	0.473	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	135.5	165.3	169.8	0	0	0	0	109.1	K82 E84 K342	K82-V340 HydrophobicContact CB-CG2 4.35Å; K82-V340 HydrophobicContact CD-CG2 4.29Å; E84-V340 HydrophobicContact CB-CG1 4.04Å; E84-V340 HydrophobicContact CG-CG1 3.57Å; V340-K342 HydrophobicContact CG1-CG 4.26Å
341	S	98.5	Very high	98.4	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.021	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	119.1	169.8	-162.6	0	0	0	0	110.2	K82 E84 R339	K82-S341 WeakPolarHBondContact O-CB 3.4Å; K82-S341 PolarHBondContact O-N 3.31Å; E84-S341 PolarHBondContact N-O 3.27Å; R339-S341 PolarHBondContact NH1-OG 2.73Å
342	K	97.8	Very high	98.4	Very high	167 Å²	167	49.1 Å²	49.1	73%	0.726	23%	0.226	S	C	*	.			trans	-99.4	9.2	168.7	-63.9	-172.8	178.6	-176.5	0	112.5	N85 V340	N85-K342 VanDerWaalsContact CB-O 3.22Å; N85-K342 WeakPolarHBondContact CB-O 3.48Å; N85-K342 PolarHBondContact ND2-O 3.33Å; V340-K342 HydrophobicContact CG1-CG 4.26Å
343	A	98	Very high	98.4	Very high	24 Å²	24	47 Å²	47	20%	0.198	21%	0.212	C	C	.	.	S	Bend	trans	-68.6	135.5	175.3	0	0	0	0	0	110.3	M345 T376	A343-M345 PolarHBondContact O-N 2.71Å; A343-T376 HydrophobicContact CB-CG2 3.39Å
344	L	98.7	Very high	98.5	Very high	14 Å²	14	43.9 Å²	43.9	7%	0.073	20%	0.195	C	C	.	.			trans	-67.2	123.1	-173.5	-173.6	65	0	0	0	111	Y87 S383 R385 I388	Y87-L344 HydrophobicContact CD2-CD1 3.94Å; Y87-L344 HydrophobicContact CE2-CD1 3.72Å; L344-S383 VanDerWaalsContact O-CB 3.3Å; L344-S383 WeakPolarHBondContact O-CB 3.47Å; L344-S383 PolarHBondContact O-OG 2.7Å; L344-R385 HydrophobicContact CD2-CG 4.15Å; L344-R385 HydrophobicContact CG-CG 4.19Å; L344-I388 HydrophobicContact CD1-CD1 3.68Å; L344-I388 HydrophobicContact CD2-CD1 4.31Å; L344-I388 HydrophobicContact CD2-CG1 4.37Å; L344-I388 HydrophobicContact CG-CD1 3.93Å; L344-I388 HydrophobicContact CG-CG1 4.44Å
345	M	98.7	Very high	98.5	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.01	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	155.1	-177.7	-74.4	173.2	50.5	0	0	111.3	L83 N85 Y86 Y87 A343 W350 V373 I377	L83-M345 HydrophobicContact CD1-CE 3.72Å; L83-M345 HydrophobicContact CD2-CE 3.84Å; L83-M345 HydrophobicContact CD2-SD 3.88Å; L83-M345 HydrophobicContact CG-CE 4.36Å; N85-M345 PolarHBondContact O-N 3.16Å; Y86-M345 WeakPolarHBondContact CA-O 3.4Å; Y86-M345 HydrophobicContact CD2-CB 4Å; Y87-M345 PolarHBondContact N-O 2.82Å; A343-M345 PolarHBondContact O-N 2.71Å; M345-W350 HydrophobicContact CE-CH2 3.96Å; M345-W350 HydrophobicContact CE-CZ2 4.09Å; M345-V373 HydrophobicContact CE-CG2 3.99Å; M345-V373 HydrophobicContact CG-CB 4.48Å; M345-V373 HydrophobicContact CG-CG1 4.45Å; M345-V373 HydrophobicContact CG-CG2 4.37Å; M345-V373 HydrophobicContact SD-CG2 4.39Å; M345-I377 HydrophobicContact CE-CD1 3.7Å; M345-I377 HydrophobicContact CE-CG1 3.78Å; M345-I377 HydrophobicContact SD-CD1 4.42Å; M345-I377 HydrophobicContact SD-CG1 3.87Å
346	H	98.9	Very high	98.4	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	155.9	-178.7	-179.3	-117.6	0	0	0	111.8	Y87 Q89 Q98 Y104 T348 D349 I388	Y87-H346 CarbonylContact O-C 3.52Å; Y87-H346 VanDerWaalsContact O-CA 3.29Å; Y87-H346 WeakPolarHBondContact O-CA 3.29Å; Y87-H346 PolarHBondContact O-CD2 2.89Å; Y87-H346 VanDerWaalsContact O-CD2 3.29Å; Q89-H346 PolarHBondContact NE2-NE2 3.43Å; Q98-H346 PolarHBondContact OE1-CE1 3.18Å; Y104-H346 AromaticContact CD1-CE1 3.83Å; Y104-H346 AromaticContact CE1-CE1 3.49Å; Y104-H346 VanDerWaalsContact CE1-CE1 3.49Å; Y104-H346 WeakPolarHBondContact CE1-CE1 3.25Å; Y104-H346 AromaticContact CE1-ND1 3.82Å; H346-T348 PolarHBondContact ND1-N 2.87Å; H346-T348 PolarHBondContact ND1-OG1 3.21Å; H346-T348 PolarHBondContact O-N 2.93Å; H346-T348 VanDerWaalsContact O-N 3.11Å; H346-D349 PolarHBondContact N-OD2 3.32Å; H346-D349 WeakPolarHBondContact O-CB 3.43Å; H346-D349 PolarHBondContact O-N 3.29Å; H346-I388 HydrophobicContact CB-CD1 3.96Å; H346-I388 HydrophobicContact CB-CG1 4.18Å
347	I	98.9	Very high	98.4	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-59.9	-25	-175.3	-158	172	0	0	0	114.2	Y87 V88 Q98 L99 D349 W350	Y87-I347 PolarHBondContact O-N 2.86Å; V88-I347 HydrophobicContact CB-CD1 4.48Å; V88-I347 HydrophobicContact CG1-CB 4.25Å; V88-I347 HydrophobicContact CG1-CD1 4.07Å; Q98-I347 HydrophobicContact CB-CG2 3.91Å; L99-I347 HydrophobicContact CB-CD1 4.04Å; L99-I347 HydrophobicContact CB-CG1 3.98Å; L99-I347 HydrophobicContact CD1-CG1 4.28Å; I347-D349 VanDerWaalsContact C-N 3.27Å; I347-D349 PolarHBondContact O-N 3.3Å; I347-W350 PolarHBondContact O-N 3.37Å
348	T	98.9	Very high	98.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-67.4	-24.7	172.3	53.8	0	0	0	0	113.4	Q98 Y104 H346 W350 Y351 P352 D369 G370 R385	Q98-T348 HydrophobicContact CB-CG2 3.82Å; Q98-T348 HydrophobicContact CG-CG2 4.47Å; Y104-T348 HydrophobicContact CD1-CG2 4.38Å; H346-T348 PolarHBondContact ND1-N 2.87Å; H346-T348 PolarHBondContact ND1-OG1 3.21Å; H346-T348 PolarHBondContact O-N 2.93Å; H346-T348 VanDerWaalsContact O-N 3.11Å; T348-W350 PolarHBondContact O-N 2.99Å; T348-Y351 PolarHBondContact O-N 2.82Å; T348-P352 WeakPolarHBondContact O-CD 3.36Å; T348-D369 PolarHBondContact OG1-O 2.77Å; T348-G370 WeakPolarHBondContact O-CA 3.43Å; T348-R385 PolarHBondContact OG1-NH2 3.49Å; T348-R385 VanDerWaalsContact OG1-NH2 3.08Å
349	D	98.9	Very high	98.2	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-65.4	-24.4	-179.5	-62.5	-33.8	0	0	0	112.2	H346 I347 Y351 P352 T353 G370 Y371 V373 R385	H346-D349 PolarHBondContact N-OD2 3.32Å; H346-D349 WeakPolarHBondContact O-CB 3.43Å; H346-D349 PolarHBondContact O-N 3.29Å; I347-D349 VanDerWaalsContact C-N 3.27Å; I347-D349 PolarHBondContact O-N 3.3Å; D349-Y351 VanDerWaalsContact C-N 3.3Å; D349-Y351 PolarHBondContact O-N 2.71Å; D349-P352 WeakPolarHBondContact O-CD 3.29Å; D349-P352 WeakPolarHBondContact O-CG 3.43Å; D349-T353 WeakPolarHBondContact O-CB 3.44Å; D349-T353 PolarHBondContact O-N 2.86Å; D349-T353 VanDerWaalsContact O-N 3.08Å; D349-T353 PolarHBondContact O-OG1 3.38Å; D349-G370 WeakPolarHBondContact OD1-CA 3.24Å; D349-Y371 WeakPolarHBondContact CA-O 3.48Å; D349-Y371 WeakPolarHBondContact CB-O 3.37Å; D349-Y371 PolarHBondContact OD1-N 3.28Å; D349-V373 HydrophobicContact CB-CG1 4.06Å; D349-V373 HydrophobicContact CB-CG2 3.83Å; D349-R385 VanDerWaalsContact CG-NE 3.35Å; D349-R385 IonicContact OD1-CZ 2.7Å; D349-R385 VanDerWaalsContact OD1-CZ 3.31Å; D349-R385 IonicContact OD1-NE 3.32Å; D349-R385 PolarHBondContact OD1-NE 3.09Å; D349-R385 VanDerWaalsContact OD1-NE 3.08Å; D349-R385 IonicContact OD1-NH2 3.74Å; D349-R385 PolarHBondContact OD1-NH2 2.94Å; D349-R385 IonicContact OD2-CZ 3.87Å; D349-R385 IonicContact OD2-NE 2.85Å; D349-R385 PolarHBondContact OD2-NE 3.28Å; D349-R385 IonicContact OD2-NH2 2.79Å
350	W	98.9	Very high	97.9	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.015	14%	0.142	C	C	.	.	H	α-helix	trans	-62	-35.1	178.8	-65.9	124.8	0	0	0	112.9	F50 L83 Y86 L99 I293 V329 M345 I347 T348 T353 L354 I377	F50-W350 HydrophobicContact CE2-CB 4.2Å; F50-W350 AromaticContact CE2-CD1 3.72Å; F50-W350 AromaticContact CE2-CD2 3.84Å; F50-W350 HydrophobicContact CE2-CD2 3.84Å; F50-W350 HydrophobicContact CE2-CE3 4.49Å; F50-W350 AromaticContact CE2-CG 3.66Å; F50-W350 HydrophobicContact CE2-CG 3.66Å; F50-W350 AromaticContact CE2-NE1 3.93Å; F50-W350 AromaticContact CZ-CD1 3.84Å; F50-W350 HydrophobicContact CZ-CG 4.26Å; F50-W350 AromaticContact CZ-NE1 3.93Å; L83-W350 HydrophobicContact CD1-CH2 4.02Å; L83-W350 HydrophobicContact CD1-CZ2 3.84Å; Y86-W350 HydrophobicContact CE2-CZ2 4.27Å; Y86-W350 AromaticContact CE2-NE1 3.52Å; Y86-W350 AromaticContact CZ-NE1 3.55Å; Y86-W350 PolarHBondContact OH-NE1 3.43Å; L99-W350 HydrophobicContact CD1-CB 3.68Å; L99-W350 HydrophobicContact CD1-CG 4.08Å; I293-W350 HydrophobicContact CG1-CE3 4.43Å; I293-W350 HydrophobicContact CG1-CH2 4.34Å; I293-W350 HydrophobicContact CG1-CZ3 4.02Å; I293-W350 HydrophobicContact CG2-CD2 4.43Å; I293-W350 HydrophobicContact CG2-CE3 4.43Å; I293-W350 HydrophobicContact CG2-CH2 3.67Å; I293-W350 HydrophobicContact CG2-CZ2 3.61Å; I293-W350 HydrophobicContact CG2-CZ3 4.07Å; V329-W350 HydrophobicContact CG2-CH2 3.61Å; V329-W350 HydrophobicContact CG2-CZ3 4.19Å; M345-W350 HydrophobicContact CE-CH2 3.96Å; M345-W350 HydrophobicContact CE-CZ2 4.09Å; I347-W350 PolarHBondContact O-N 3.37Å; T348-W350 PolarHBondContact O-N 2.99Å; W350-T353 HydrophobicContact CE3-CG2 4.46Å; W350-T353 PolarHBondContact O-N 2.66Å; W350-L354 HydrophobicContact CB-CD1 4.07Å; W350-L354 WeakPolarHBondContact O-CB 3.46Å; W350-L354 WeakPolarHBondContact O-CD1 3.5Å; W350-L354 WeakPolarHBondContact O-CG 3.46Å; W350-L354 PolarHBondContact O-N 2.8Å; W350-I377 HydrophobicContact CH2-CD1 3.82Å; W350-I377 HydrophobicContact CZ3-CD1 3.69Å
351	Y	98.8	Very high	97.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-58.4	-62.9	179.2	-174.5	-64.6	0	0	0	112.2	T128 L130 R133 T348 D349 T353 L354 V355 T365 L368	T128-Y351 WeakPolarHBondContact O-CE2 3.2Å; T128-Y351 PolarHBondContact O-OH 2.97Å; L130-Y351 HydrophobicContact CB-CD2 3.66Å; L130-Y351 HydrophobicContact CB-CE2 4.06Å; L130-Y351 HydrophobicContact CB-CG 4.31Å; R133-Y351 HydrophobicContact CG-CE1 4.2Å; R133-Y351 VanDerWaalsContact CG-OH 3.27Å; R133-Y351 WeakPolarHBondContact CG-OH 3.45Å; T348-Y351 PolarHBondContact O-N 2.82Å; D349-Y351 VanDerWaalsContact C-N 3.3Å; D349-Y351 PolarHBondContact O-N 2.71Å; Y351-T353 VanDerWaalsContact C-N 3.29Å; Y351-T353 PolarHBondContact O-N 2.88Å; Y351-L354 PolarHBondContact O-N 2.9Å; Y351-V355 HydrophobicContact CD1-CG2 4.19Å; Y351-V355 HydrophobicContact CE1-CG2 4.16Å; Y351-V355 WeakPolarHBondContact O-CB 3.46Å; Y351-V355 VanDerWaalsContact O-CG2 3.31Å; Y351-V355 WeakPolarHBondContact O-CG2 3.45Å; Y351-V355 PolarHBondContact O-N 2.98Å; Y351-T365 HydrophobicContact CE1-CG2 4.1Å; Y351-T365 WeakPolarHBondContact OH-CG2 3.49Å; Y351-T365 PolarHBondContact OH-OG1 2.85Å; Y351-L368 HydrophobicContact CD1-CD1 4.02Å; Y351-L368 HydrophobicContact CD1-CD2 3.73Å; Y351-L368 HydrophobicContact CE1-CD1 4.15Å; Y351-L368 HydrophobicContact CE1-CD2 3.86Å; Y351-L368 HydrophobicContact CG-CD2 4.14Å
352	P	98.6	Very high	96.9	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.013	15%	0.153	C	C	.	.	H	α-helix	trans	-68.5	-26.3	179.1	28.6	-37.4	0	0	0	113.2	T348 D349 G356 V362 L368 Y371	T348-P352 WeakPolarHBondContact O-CD 3.36Å; D349-P352 WeakPolarHBondContact O-CD 3.29Å; D349-P352 WeakPolarHBondContact O-CG 3.43Å; P352-G356 PolarHBondContact O-N 3.16Å; P352-V362 HydrophobicContact CB-CG1 3.57Å; P352-V362 HydrophobicContact CB-CG2 4.11Å; P352-V362 WeakPolarHBondContact O-CG2 3.48Å; P352-L368 HydrophobicContact CB-CD1 4.3Å; P352-Y371 VanDerWaalsContact CG-C 3.43Å; P352-Y371 WeakPolarHBondContact CG-O 3.35Å
353	T	98.8	Very high	96.5	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.006	15%	0.152	C	C	.	.	H	α-helix	trans	-66.9	-44.8	175.3	-60.9	0	0	0	0	111.7	D349 W350 Y351 L357 Y371 N372 V373 W374	D349-T353 WeakPolarHBondContact O-CB 3.44Å; D349-T353 PolarHBondContact O-N 2.86Å; D349-T353 VanDerWaalsContact O-N 3.08Å; D349-T353 PolarHBondContact O-OG1 3.38Å; W350-T353 HydrophobicContact CE3-CG2 4.46Å; W350-T353 PolarHBondContact O-N 2.66Å; Y351-T353 VanDerWaalsContact C-N 3.29Å; Y351-T353 PolarHBondContact O-N 2.88Å; T353-L357 HydrophobicContact CG2-CD1 4.45Å; T353-L357 WeakPolarHBondContact O-CB 3.49Å; T353-L357 WeakPolarHBondContact O-CG 3.44Å; T353-L357 PolarHBondContact O-N 3.29Å; T353-Y371 PolarHBondContact OG1-O 2.89Å; T353-N372 WeakPolarHBondContact OG1-CA 3.48Å; T353-V373 HydrophobicContact CG2-CG2 4.42Å; T353-V373 WeakPolarHBondContact OG1-CG2 3.41Å; T353-V373 PolarHBondContact OG1-N 3.23Å; T353-W374 HydrophobicContact CG2-CB 3.99Å
354	L	98.8	Very high	95.8	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-80	-36.5	-176.6	-62.6	172.8	0	0	0	111.8	I48 F50 L130 I293 W350 Y351 G356 L357 A358	I48-L354 HydrophobicContact CD1-CB 4.19Å; I48-L354 HydrophobicContact CD1-CD2 4.21Å; I48-L354 HydrophobicContact CG1-CD2 4.41Å; I48-L354 HydrophobicContact CG2-CD1 4.24Å; I48-L354 HydrophobicContact CG2-CD2 3.73Å; I48-L354 HydrophobicContact CG2-CG 4.47Å; F50-L354 HydrophobicContact CD2-CD1 4.03Å; L130-L354 HydrophobicContact CD1-CB 3.99Å; L130-L354 HydrophobicContact CD2-CD1 3.9Å; I293-L354 HydrophobicContact CD1-CD2 3.91Å; W350-L354 HydrophobicContact CB-CD1 4.07Å; W350-L354 WeakPolarHBondContact O-CB 3.46Å; W350-L354 WeakPolarHBondContact O-CD1 3.5Å; W350-L354 WeakPolarHBondContact O-CG 3.46Å; W350-L354 PolarHBondContact O-N 2.8Å; Y351-L354 PolarHBondContact O-N 2.9Å; L354-G356 VanDerWaalsContact C-N 3.35Å; L354-L357 HydrophobicContact CD2-CD1 4.13Å; L354-L357 PolarHBondContact O-N 3.41Å; L354-A358 WeakPolarHBondContact O-CB 3.45Å; L354-A358 PolarHBondContact O-N 3.16Å
355	V	98.3	Very high	95.2	Very high	4 Å²	4	24.9 Å²	24.9	2%	0.024	17%	0.171	C	C	.	.	H	α-helix	trans	-62.2	-42.5	168.8	173.3	0	0	0	0	110.8	L130 R133 Y351 A358 G359 G360 V362	L130-V355 HydrophobicContact CD1-CG2 3.8Å; R133-V355 HydrophobicContact CB-CG1 4.46Å; R133-V355 HydrophobicContact CB-CG2 3.58Å; R133-V355 HydrophobicContact CG-CG2 4.22Å; Y351-V355 HydrophobicContact CD1-CG2 4.19Å; Y351-V355 HydrophobicContact CE1-CG2 4.16Å; Y351-V355 WeakPolarHBondContact O-CB 3.46Å; Y351-V355 VanDerWaalsContact O-CG2 3.31Å; Y351-V355 WeakPolarHBondContact O-CG2 3.45Å; Y351-V355 PolarHBondContact O-N 2.98Å; V355-A358 WeakPolarHBondContact O-CB 3.32Å; V355-A358 PolarHBondContact O-N 3.31Å; V355-G359 PolarHBondContact O-N 3.43Å; V355-G360 WeakPolarHBondContact O-CA 3.31Å; V355-G360 PolarHBondContact O-N 2.68Å; V355-V362 HydrophobicContact CB-CG2 4.12Å; V355-V362 HydrophobicContact CG1-CG2 3.86Å
356	G	97	Very high	94.7	Very high	28 Å²	28	32.8 Å²	32.8	29%	0.289	21%	0.208	S	C	.	.	H	α-helix	trans	-65.2	-37.4	175.4	0	0	0	0	0	113.8	P352 L354 A358 G359	P352-G356 PolarHBondContact O-N 3.16Å; L354-G356 VanDerWaalsContact C-N 3.35Å; G356-A358 VanDerWaalsContact C-N 3.3Å; G356-G359 PolarHBondContact O-N 3.39Å
357	L	97.2	Very high	94.4	Very high	28 Å²	28	34.9 Å²	34.9	15%	0.147	23%	0.229	C	C	.	.	H	α-helix	trans	-65	-33.4	172.5	-84.9	169.1	0	0	0	112.9	P46 V291 T353 L354 G359 W374	P46-L357 WeakPolarHBondContact CD-O 3.11Å; P46-L357 HydrophobicContact CG-CB 4.36Å; P46-L357 HydrophobicContact CG-CD2 4.3Å; V291-L357 HydrophobicContact CG2-CD1 4.4Å; T353-L357 HydrophobicContact CG2-CD1 4.45Å; T353-L357 WeakPolarHBondContact O-CB 3.49Å; T353-L357 WeakPolarHBondContact O-CG 3.44Å; T353-L357 PolarHBondContact O-N 3.29Å; L354-L357 HydrophobicContact CD2-CD1 4.13Å; L354-L357 PolarHBondContact O-N 3.41Å; L357-G359 PolarHBondContact O-N 3.46Å; L357-W374 HydrophobicContact CD1-CD2 4.07Å; L357-W374 HydrophobicContact CD1-CE3 3.86Å; L357-W374 HydrophobicContact CD1-CG 4.48Å; L357-W374 HydrophobicContact CD1-CZ3 4.26Å; L357-W374 HydrophobicContact CD2-CD2 3.79Å; L357-W374 HydrophobicContact CD2-CE3 4.36Å; L357-W374 HydrophobicContact CD2-CG 3.94Å; L357-W374 HydrophobicContact CD2-CZ2 4.22Å; L357-W374 HydrophobicContact CG-CD2 4.22Å; L357-W374 HydrophobicContact CG-CG 4.23Å
358	A	97.1	Very high	94.3	Very high	6 Å²	6	36.6 Å²	36.6	5%	0.05	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-2.4	175	0	0	0	0	0	114.2	L134 A137 Y139 L354 V355 G356 G360	L134-A358 HydrophobicContact CD2-CB 3.44Å; L134-A358 VanDerWaalsContact CD2-CB 3.44Å; A137-A358 HydrophobicContact CB-CB 3.94Å; Y139-A358 HydrophobicContact CD2-CB 4.11Å; Y139-A358 HydrophobicContact CE2-CB 3.33Å; L354-A358 WeakPolarHBondContact O-CB 3.45Å; L354-A358 PolarHBondContact O-N 3.16Å; V355-A358 WeakPolarHBondContact O-CB 3.32Å; V355-A358 PolarHBondContact O-N 3.31Å; G356-A358 VanDerWaalsContact C-N 3.3Å; A358-G360 PolarHBondContact O-N 2.99Å
359	G	94.6	Very high	94.3	Very high	70 Å²	70	37.7 Å²	37.7	72%	0.722	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	75	6.4	-171.6	0	0	0	0	0	114.2	V355 G356 L357	V355-G359 PolarHBondContact O-N 3.43Å; G356-G359 PolarHBondContact O-N 3.39Å; L357-G359 PolarHBondContact O-N 3.46Å
360	G	92	Very high	94.2	Very high	19 Å²	19	38.1 Å²	38.1	20%	0.196	25%	0.249	C	C	.	.			trans	-74.7	145.8	-178.9	0	0	0	0	0	113.3	V355 A358 V362	V355-G360 WeakPolarHBondContact O-CA 3.31Å; V355-G360 PolarHBondContact O-N 2.68Å; A358-G360 PolarHBondContact O-N 2.99Å; G360-V362 PolarHBondContact O-N 3.39Å; G360-V362 VanDerWaalsContact O-N 3.09Å
361	N	88.6	Confident	94.2	Very high	91 Å²	91	42.6 Å²	42.6	49%	0.487	27%	0.267	S	S	.	.			trans	-79.3	94.5	180	-175.3	1.1	0	0	0	111.6	S363 L364	N361-S363 PolarHBondContact O-N 3.41Å; N361-S363 VanDerWaalsContact O-N 3.14Å; N361-S363 VanDerWaalsContact OD1-CB 3.26Å; N361-S363 WeakPolarHBondContact OD1-CB 3.45Å; N361-S363 PolarHBondContact OD1-N 3.34Å; N361-S363 VanDerWaalsContact OD1-N 3.14Å; N361-S363 PolarHBondContact OD1-OG 3.21Å; N361-L364 HydrophobicContact CB-CD1 3.98Å; N361-L364 HydrophobicContact CB-CG 3.98Å; N361-L364 WeakPolarHBondContact O-CB 3.1Å; N361-L364 WeakPolarHBondContact O-CG 3.21Å; N361-L364 PolarHBondContact O-N 3.17Å; N361-L364 VanDerWaalsContact O-N 3.11Å
362	V	88.2	Confident	94.1	Very high	39 Å²	39	45.8 Å²	45.8	24%	0.236	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-51.2	-35.8	177	177.6	0	0	0	0	112.7	P352 V355 G360 L364 T365 L368	P352-V362 HydrophobicContact CB-CG1 3.57Å; P352-V362 HydrophobicContact CB-CG2 4.11Å; P352-V362 WeakPolarHBondContact O-CG2 3.48Å; V355-V362 HydrophobicContact CB-CG2 4.12Å; V355-V362 HydrophobicContact CG1-CG2 3.86Å; G360-V362 PolarHBondContact O-N 3.39Å; G360-V362 VanDerWaalsContact O-N 3.09Å; V362-L364 PolarHBondContact O-N 2.91Å; V362-L364 VanDerWaalsContact O-N 3.08Å; V362-T365 PolarHBondContact O-N 3.39Å; V362-L368 HydrophobicContact CG1-CD1 3.75Å
363	S	88.1	Confident	94.1	Very high	102 Å²	102	45.7 Å²	45.7	71%	0.713	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-63.5	-14.6	-177.4	-50	0	0	0	0	114.1	N361 T365	N361-S363 PolarHBondContact O-N 3.41Å; N361-S363 VanDerWaalsContact O-N 3.14Å; N361-S363 VanDerWaalsContact OD1-CB 3.26Å; N361-S363 WeakPolarHBondContact OD1-CB 3.45Å; N361-S363 PolarHBondContact OD1-N 3.34Å; N361-S363 VanDerWaalsContact OD1-N 3.14Å; N361-S363 PolarHBondContact OD1-OG 3.21Å; S363-T365 PolarHBondContact O-N 3.46Å
364	L	84.2	Confident	94.1	Very high	105 Å²	105	47.9 Å²	47.9	55%	0.55	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-71.4	-12.9	172.7	-60.8	177.6	0	0	0	113	R133 N361 V362	R133-L364 PolarHBondContact NH2-O 3.15Å; N361-L364 HydrophobicContact CB-CD1 3.98Å; N361-L364 HydrophobicContact CB-CG 3.98Å; N361-L364 WeakPolarHBondContact O-CB 3.1Å; N361-L364 WeakPolarHBondContact O-CG 3.21Å; N361-L364 PolarHBondContact O-N 3.17Å; N361-L364 VanDerWaalsContact O-N 3.11Å; V362-L364 PolarHBondContact O-N 2.91Å; V362-L364 VanDerWaalsContact O-N 3.08Å
365	T	86.9	Confident	94.1	Very high	18 Å²	18	50.1 Å²	50.1	11%	0.11	31%	0.306	C	S	.	.	S	Bend	trans	-106.5	97	178	-48	0	0	0	0	110.1	R133 Y351 V362 S363 L368	R133-T365 PolarHBondContact NE-OG1 3.09Å; R133-T365 PolarHBondContact NH2-OG1 2.95Å; Y351-T365 HydrophobicContact CE1-CG2 4.1Å; Y351-T365 WeakPolarHBondContact OH-CG2 3.49Å; Y351-T365 PolarHBondContact OH-OG1 2.85Å; V362-T365 PolarHBondContact O-N 3.39Å; S363-T365 PolarHBondContact O-N 3.46Å; T365-L368 HydrophobicContact CG2-CD1 4.32Å; T365-L368 HydrophobicContact CG2-CD2 3.83Å; T365-L368 HydrophobicContact CG2-CG 3.92Å
366	E	87.6	Confident	94.1	Very high	169 Å²	169	50 Å²	50	79%	0.79	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	147.4	175.7	-65.2	-164.1	167.4	0	0	112.3	R103 L368	R103-E366 PolarHBondContact NH2-O 3.4Å; E366-L368 PolarHBondContact O-N 3.47Å
367	G	91.7	Very high	94.2	Very high	44 Å²	44	48.7 Å²	48.7	45%	0.454	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.3	28.7	168.1	0	0	0	0	0	115.7	R103	R103-G367 WeakPolarHBondContact CG-O 3.2Å; R103-G367 PolarHBondContact NE-O 3.02Å; R103-G367 PolarHBondContact NH1-O 3.04Å; R103-G367 VanDerWaalsContact NH1-O 3.11Å
368	L	96.9	Very high	94.3	Very high	36 Å²	36	47.5 Å²	47.5	19%	0.188	29%	0.285	C	S	.	.			trans	-63.8	142.7	165.8	-68.7	173.7	0	0	0	111.3	T101 Y351 P352 V362 T365 E366	T101-L368 VanDerWaalsContact O-CD2 3.26Å; T101-L368 WeakPolarHBondContact O-CD2 3.3Å; Y351-L368 HydrophobicContact CD1-CD1 4.02Å; Y351-L368 HydrophobicContact CD1-CD2 3.73Å; Y351-L368 HydrophobicContact CE1-CD1 4.15Å; Y351-L368 HydrophobicContact CE1-CD2 3.86Å; Y351-L368 HydrophobicContact CG-CD2 4.14Å; P352-L368 HydrophobicContact CB-CD1 4.3Å; V362-L368 HydrophobicContact CG1-CD1 3.75Å; T365-L368 HydrophobicContact CG2-CD1 4.32Å; T365-L368 HydrophobicContact CG2-CD2 3.83Å; T365-L368 HydrophobicContact CG2-CG 3.92Å; E366-L368 PolarHBondContact O-N 3.47Å
369	D	98.3	Very high	94.3	Very high	23 Å²	23	49.4 Å²	49.4	12%	0.123	29%	0.293	C	S	.	.			trans	-101.5	-2.7	169.9	-65.9	-69.1	0	0	0	112.5	G102 R103 Y104 H107 T348 R385	G102-D369 PolarHBondContact O-N 3.26Å; R103-D369 WeakPolarHBondContact CA-OD2 3.31Å; Y104-D369 HydrophobicContact CD1-CB 4.38Å; Y104-D369 HydrophobicContact CD2-CB 3.51Å; Y104-D369 WeakPolarHBondContact CD2-OD1 3.26Å; Y104-D369 WeakPolarHBondContact CD2-OD2 3.31Å; Y104-D369 HydrophobicContact CE1-CB 4.38Å; Y104-D369 HydrophobicContact CE2-CB 3.5Å; Y104-D369 VanDerWaalsContact CE2-CG 3.49Å; Y104-D369 WeakPolarHBondContact CE2-OD1 3.44Å; Y104-D369 HydrophobicContact CG-CB 3.95Å; Y104-D369 PolarHBondContact N-OD2 2.86Å; H107-D369 IonicContact CE1-OD1 2.76Å; H107-D369 PolarHBondContact CE1-OD1 2.84Å; H107-D369 IonicContact CE1-OD2 3.78Å; H107-D369 PolarHBondContact CE1-OD2 2.81Å; H107-D369 VanDerWaalsContact CE1-OD2 3.29Å; H107-D369 IonicContact ND1-OD2 2.96Å; H107-D369 PolarHBondContact ND1-OD2 2.8Å; H107-D369 VanDerWaalsContact ND1-OD2 3.15Å; T348-D369 PolarHBondContact OG1-O 2.77Å; D369-R385 PolarHBondContact O-NH2 2.85Å
370	G	97.8	Very high	94.5	Very high	11 Å²	11	48 Å²	48	11%	0.113	28%	0.279	C	S	.	.			trans	-89.6	158.4	174	0	0	0	0	0	113.5	G102 T348 D349	G102-G370 PolarHBondContact O-N 3.01Å; G102-G370 VanDerWaalsContact O-N 3.14Å; T348-G370 WeakPolarHBondContact O-CA 3.43Å; D349-G370 WeakPolarHBondContact OD1-CA 3.24Å
371	Y	98.1	Very high	94.8	Very high	98 Å²	98	52.9 Å²	52.9	38%	0.384	30%	0.295	S	S	.	.			trans	-120.5	151	172.1	-55.8	-86.9	0	0	0	110.9	D349 P352 T353 V373 P384 R385	D349-Y371 WeakPolarHBondContact CA-O 3.48Å; D349-Y371 WeakPolarHBondContact CB-O 3.37Å; D349-Y371 PolarHBondContact OD1-N 3.28Å; P352-Y371 VanDerWaalsContact CG-C 3.43Å; P352-Y371 WeakPolarHBondContact CG-O 3.35Å; T353-Y371 PolarHBondContact OG1-O 2.89Å; Y371-V373 PolarHBondContact O-N 2.96Å; Y371-V373 VanDerWaalsContact O-N 3.15Å; Y371-P384 HydrophobicContact CD1-CB 4.23Å; Y371-P384 HydrophobicContact CG-CB 4.26Å; Y371-P384 HydrophobicContact CG-CG 4.2Å; Y371-R385 HydrophobicContact CD2-CB 3.79Å; Y371-R385 HydrophobicContact CD2-CG 4.35Å; Y371-R385 HydrophobicContact CE2-CB 4.07Å; Y371-R385 HydrophobicContact CE2-CG 4.3Å
372	N	98.1	Very high	95.2	Very high	67 Å²	67	56.8 Å²	56.8	36%	0.358	31%	0.31	S	S	.	.			trans	-71.6	108.5	168.9	-178.5	-8	0	0	0	109.4	T353 W374	T353-N372 WeakPolarHBondContact OG1-CA 3.48Å; N372-W374 WeakPolarHBondContact OD1-CB 3.5Å; N372-W374 PolarHBondContact OD1-N 2.99Å
373	V	98.6	Very high	95.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.305	C	S	.	.			trans	-105.2	12.6	-178.9	-62.4	0	0	0	0	112.6	M345 D349 T353 Y371 T376 I377 P384	M345-V373 HydrophobicContact CE-CG2 3.99Å; M345-V373 HydrophobicContact CG-CB 4.48Å; M345-V373 HydrophobicContact CG-CG1 4.45Å; M345-V373 HydrophobicContact CG-CG2 4.37Å; M345-V373 HydrophobicContact SD-CG2 4.39Å; D349-V373 HydrophobicContact CB-CG1 4.06Å; D349-V373 HydrophobicContact CB-CG2 3.83Å; T353-V373 HydrophobicContact CG2-CG2 4.42Å; T353-V373 WeakPolarHBondContact OG1-CG2 3.41Å; T353-V373 PolarHBondContact OG1-N 3.23Å; Y371-V373 PolarHBondContact O-N 2.96Å; Y371-V373 VanDerWaalsContact O-N 3.15Å; V373-T376 WeakPolarHBondContact O-CA 3.43Å; V373-T376 VanDerWaalsContact O-CB 3.31Å; V373-T376 WeakPolarHBondContact O-CB 3.4Å; V373-T376 PolarHBondContact O-N 3.09Å; V373-T376 VanDerWaalsContact O-N 3.09Å; V373-I377 HydrophobicContact CG2-CD1 3.84Å; V373-I377 HydrophobicContact CG2-CG1 4.39Å; V373-I377 WeakPolarHBondContact O-CG1 3.34Å; V373-I377 PolarHBondContact O-N 3.17Å; V373-P384 HydrophobicContact CG1-CG 4.06Å
374	W	98.6	Very high	96.2	Very high	47 Å²	47	53.9 Å²	53.9	18%	0.178	29%	0.29	C	S	.	.	H	α-helix	trans	-57	-40.2	175.5	-176	-116.1	0	0	0	113.5	V291 V329 L334 T353 L357 N372 T376 I377 S378	V291-W374 HydrophobicContact CG1-CH2 4.18Å; V291-W374 HydrophobicContact CG1-CZ3 3.92Å; V291-W374 HydrophobicContact CG2-CH2 4.01Å; V291-W374 HydrophobicContact CG2-CZ3 4.43Å; V329-W374 HydrophobicContact CG1-CZ3 4.21Å; L334-W374 HydrophobicContact CD2-CH2 3.85Å; L334-W374 HydrophobicContact CD2-CZ3 4.12Å; L334-W374 HydrophobicContact CG-CH2 4.37Å; T353-W374 HydrophobicContact CG2-CB 3.99Å; L357-W374 HydrophobicContact CD1-CD2 4.07Å; L357-W374 HydrophobicContact CD1-CE3 3.86Å; L357-W374 HydrophobicContact CD1-CG 4.48Å; L357-W374 HydrophobicContact CD1-CZ3 4.26Å; L357-W374 HydrophobicContact CD2-CD2 3.79Å; L357-W374 HydrophobicContact CD2-CE3 4.36Å; L357-W374 HydrophobicContact CD2-CG 3.94Å; L357-W374 HydrophobicContact CD2-CZ2 4.22Å; L357-W374 HydrophobicContact CG-CD2 4.22Å; L357-W374 HydrophobicContact CG-CG 4.23Å; N372-W374 WeakPolarHBondContact OD1-CB 3.5Å; N372-W374 PolarHBondContact OD1-N 2.99Å; W374-T376 VanDerWaalsContact C-N 3.33Å; W374-T376 PolarHBondContact O-N 3.02Å; W374-I377 HydrophobicContact CE3-CB 4.43Å; W374-I377 HydrophobicContact CE3-CG2 4.44Å; W374-I377 HydrophobicContact CZ3-CG2 4.31Å; W374-I377 PolarHBondContact O-N 2.97Å; W374-S378 WeakPolarHBondContact O-CB 3.23Å; W374-S378 PolarHBondContact O-N 3.39Å
375	P	98.6	Very high	96.8	Very high	47 Å²	47	49 Å²	49	31%	0.305	27%	0.265	S	S	.	.	H	α-helix	trans	-64.8	-37	174.7	-20.8	33.9	0	0	0	112.6	E379 G380 K381	P375-E379 WeakPolarHBondContact O-CA 3.48Å; P375-E379 VanDerWaalsContact O-CB 3.25Å; P375-E379 WeakPolarHBondContact O-CB 3.27Å; P375-E379 PolarHBondContact O-N 3.33Å; P375-G380 PolarHBondContact O-N 2.93Å; P375-K381 HydrophobicContact CB-CD 3.95Å
376	T	98.7	Very high	97.4	Very high	3 Å²	3	52 Å²	52	2%	0.018	28%	0.279	C	S	.	.	H	α-helix	trans	-64.7	-38.6	175.9	-49.4	0	0	0	0	111.9	R339 A343 V373 W374 G380 K381 E382 P384	R339-T376 PolarHBondContact NH2-O 2.63Å; A343-T376 HydrophobicContact CB-CG2 3.39Å; V373-T376 WeakPolarHBondContact O-CA 3.43Å; V373-T376 VanDerWaalsContact O-CB 3.31Å; V373-T376 WeakPolarHBondContact O-CB 3.4Å; V373-T376 PolarHBondContact O-N 3.09Å; V373-T376 VanDerWaalsContact O-N 3.09Å; W374-T376 VanDerWaalsContact C-N 3.33Å; W374-T376 PolarHBondContact O-N 3.02Å; T376-G380 WeakPolarHBondContact O-CA 3.17Å; T376-G380 PolarHBondContact O-N 2.86Å; T376-K381 WeakPolarHBondContact CA-O 3.49Å; T376-K381 WeakPolarHBondContact CG2-O 3.38Å; T376-E382 PolarHBondContact OG1-O 2.82Å; T376-P384 WeakPolarHBondContact OG1-CD 3.35Å
377	I	98.7	Very high	97.9	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-76.9	-57.4	176.4	-62.8	162.5	0	0	0	111	V81 V329 L334 R339 M345 W350 V373 W374	V81-I377 HydrophobicContact CB-CG2 4.49Å; V329-I377 HydrophobicContact CB-CG2 3.92Å; V329-I377 HydrophobicContact CG1-CG2 4.13Å; V329-I377 HydrophobicContact CG2-CD1 4.34Å; V329-I377 HydrophobicContact CG2-CG2 3.96Å; L334-I377 HydrophobicContact CD2-CG2 3.81Å; R339-I377 PolarHBondContact NH2-O 2.7Å; M345-I377 HydrophobicContact CE-CD1 3.7Å; M345-I377 HydrophobicContact CE-CG1 3.78Å; M345-I377 HydrophobicContact SD-CD1 4.42Å; M345-I377 HydrophobicContact SD-CG1 3.87Å; W350-I377 HydrophobicContact CH2-CD1 3.82Å; W350-I377 HydrophobicContact CZ3-CD1 3.69Å; V373-I377 HydrophobicContact CG2-CD1 3.84Å; V373-I377 HydrophobicContact CG2-CG1 4.39Å; V373-I377 WeakPolarHBondContact O-CG1 3.34Å; V373-I377 PolarHBondContact O-N 3.17Å; W374-I377 HydrophobicContact CE3-CB 4.43Å; W374-I377 HydrophobicContact CE3-CG2 4.44Å; W374-I377 HydrophobicContact CZ3-CG2 4.31Å; W374-I377 PolarHBondContact O-N 2.97Å
378	S	98.6	Very high	98.2	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.014	23%	0.225	C	C	.	.	H	α-helix	trans	-75.7	-35.2	-169.6	-172.9	0	0	0	0	113.3	L334 R335 N336 W374	L334-S378 WeakPolarHBondContact CA-OG 3.42Å; R335-S378 WeakPolarHBondContact CB-O 3.48Å; R335-S378 PolarHBondContact N-O 2.78Å; R335-S378 PolarHBondContact N-OG 3.44Å; N336-S378 PolarHBondContact N-O 3.43Å; W374-S378 WeakPolarHBondContact O-CB 3.23Å; W374-S378 PolarHBondContact O-N 3.39Å
379	E	98.4	Very high	98.3	Very high	46 Å²	46	41.2 Å²	41.2	22%	0.215	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-17.7	-173.2	-40.9	-165.6	135.7	0	0	112.5	R335 N336 P375 K381	R335-E379 VanDerWaalsContact CD-OE1 3.23Å; R335-E379 WeakPolarHBondContact CD-OE1 3.3Å; R335-E379 IonicContact CZ-OE1 3.15Å; R335-E379 IonicContact NE-OE1 3.8Å; R335-E379 IonicContact NH1-OE1 2.65Å; R335-E379 PolarHBondContact NH1-OE1 2.85Å; N336-E379 PolarHBondContact ND2-O 3.35Å; P375-E379 WeakPolarHBondContact O-CA 3.48Å; P375-E379 VanDerWaalsContact O-CB 3.25Å; P375-E379 WeakPolarHBondContact O-CB 3.27Å; P375-E379 PolarHBondContact O-N 3.33Å; E379-K381 VanDerWaalsContact C-N 3.32Å; E379-K381 HydrophobicContact CB-CD 4.49Å; E379-K381 HydrophobicContact CB-CG 4.38Å; E379-K381 WeakPolarHBondContact OE2-CD 3.34Å; E379-K381 WeakPolarHBondContact OE2-CE 3.3Å; E379-K381 IonicContact OE2-NZ 3.89Å; E379-K381 PolarHBondContact OE2-NZ 3.14Å
380	G	97.7	Very high	98.3	Very high	41 Å²	41	40.1 Å²	40.1	42%	0.423	21%	0.21	S	C	.	.			trans	77.3	17.7	-175.3	0	0	0	0	0	114	P375 T376	P375-G380 PolarHBondContact O-N 2.93Å; T376-G380 WeakPolarHBondContact O-CA 3.17Å; T376-G380 PolarHBondContact O-N 2.86Å
381	K	98.2	Very high	98.4	Very high	122 Å²	122	39.9 Å²	39.9	53%	0.53	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-59.6	163.1	167.2	-76.9	171.2	172.2	161.7	0	110.9	P375 T376 E379	P375-K381 HydrophobicContact CB-CD 3.95Å; T376-K381 WeakPolarHBondContact CA-O 3.49Å; T376-K381 WeakPolarHBondContact CG2-O 3.38Å; E379-K381 VanDerWaalsContact C-N 3.32Å; E379-K381 HydrophobicContact CB-CD 4.49Å; E379-K381 HydrophobicContact CB-CG 4.38Å; E379-K381 WeakPolarHBondContact OE2-CD 3.34Å; E379-K381 WeakPolarHBondContact OE2-CE 3.3Å; E379-K381 IonicContact OE2-NZ 3.89Å; E379-K381 PolarHBondContact OE2-NZ 3.14Å
382	E	97.6	Very high	98.4	Very high	172 Å²	172	35.3 Å²	35.3	80%	0.804	19%	0.188	S	C	*	.	P	Polyproline II helix	trans	-58.5	162.6	172.9	-60.3	-164.2	131.5	0	0	112	T376	T376-E382 PolarHBondContact OG1-O 2.82Å
383	S	98.4	Very high	98.3	Very high	18 Å²	18	32.4 Å²	32.4	13%	0.126	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-83.3	134.6	175	-166.9	0	0	0	0	110.8	L344 R385	L344-S383 VanDerWaalsContact O-CB 3.3Å; L344-S383 WeakPolarHBondContact O-CB 3.47Å; L344-S383 PolarHBondContact O-OG 2.7Å; S383-R385 PolarHBondContact O-N 2.85Å; S383-R385 WeakPolarHBondContact OG-CB 3.47Å; S383-R385 PolarHBondContact OG-N 3.46Å; S383-R385 VanDerWaalsContact OG-N 3.13Å
384	P	98.2	Very high	98	Very high	63 Å²	63	34.2 Å²	34.2	41%	0.409	19%	0.185	S	C	.	.	S	Bend	trans	-64	-17.6	164.5	28.9	-36.2	0	0	0	112.6	Y371 V373 T376	Y371-P384 HydrophobicContact CD1-CB 4.23Å; Y371-P384 HydrophobicContact CG-CB 4.26Å; Y371-P384 HydrophobicContact CG-CG 4.2Å; V373-P384 HydrophobicContact CG1-CG 4.06Å; T376-P384 WeakPolarHBondContact OG1-CD 3.35Å
385	R	98.3	Very high	97.7	Very high	3 Å²	3	36.8 Å²	36.8	1%	0.011	20%	0.201	C	C	.	.			trans	-84.4	116.4	178.1	176.6	174.2	-73.2	-72.3	-0.2	111.2	Y104 L344 T348 D349 D369 Y371 S383 E387 I388	Y104-R385 PolarHBondContact OH-NH1 3.08Å; L344-R385 HydrophobicContact CD2-CG 4.15Å; L344-R385 HydrophobicContact CG-CG 4.19Å; T348-R385 PolarHBondContact OG1-NH2 3.49Å; T348-R385 VanDerWaalsContact OG1-NH2 3.08Å; D349-R385 VanDerWaalsContact CG-NE 3.35Å; D349-R385 IonicContact OD1-CZ 2.7Å; D349-R385 VanDerWaalsContact OD1-CZ 3.31Å; D349-R385 IonicContact OD1-NE 3.32Å; D349-R385 PolarHBondContact OD1-NE 3.09Å; D349-R385 VanDerWaalsContact OD1-NE 3.08Å; D349-R385 IonicContact OD1-NH2 3.74Å; D349-R385 PolarHBondContact OD1-NH2 2.94Å; D349-R385 IonicContact OD2-CZ 3.87Å; D349-R385 IonicContact OD2-NE 2.85Å; D349-R385 PolarHBondContact OD2-NE 3.28Å; D349-R385 IonicContact OD2-NH2 2.79Å; D369-R385 PolarHBondContact O-NH2 2.85Å; Y371-R385 HydrophobicContact CD2-CB 3.79Å; Y371-R385 HydrophobicContact CD2-CG 4.35Å; Y371-R385 HydrophobicContact CE2-CB 4.07Å; Y371-R385 HydrophobicContact CE2-CG 4.3Å; S383-R385 PolarHBondContact O-N 2.85Å; S383-R385 WeakPolarHBondContact OG-CB 3.47Å; S383-R385 PolarHBondContact OG-N 3.46Å; S383-R385 VanDerWaalsContact OG-N 3.13Å; R385-E387 WeakPolarHBondContact CG-O 3.37Å; R385-E387 PolarHBondContact NH1-O 3.42Å; R385-I388 HydrophobicContact CG-CG1 4.28Å
386	L	97.8	Very high	97.1	Very high	80 Å²	80	38 Å²	38	42%	0.419	20%	0.203	S	C	.	.			trans	-107.2	-14.1	174	-57.4	179.8	0	0	0	113.5	G425 M569	L386-G425 PolarHBondContact O-N 3.18Å; L386-M569 HydrophobicContact CD1-CE 3.83Å; L386-M569 HydrophobicContact CD2-CE 3.66Å; L386-M569 HydrophobicContact CG-CE 4.35Å
387	E	98.4	Very high	96.2	Very high	22 Å²	22	43.7 Å²	43.7	10%	0.103	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	145.2	-171.9	178.2	163.7	125.9	0	0	110.5	R385 I422 R423 V424 R495 Y499	R385-E387 WeakPolarHBondContact CG-O 3.37Å; R385-E387 PolarHBondContact NH1-O 3.42Å; E387-I422 HydrophobicContact CG-CD1 4.21Å; E387-I422 HydrophobicContact CG-CG1 4.38Å; E387-R423 CarbonylContact C-O 3.45Å; E387-R423 VanDerWaalsContact CA-O 3.3Å; E387-R423 WeakPolarHBondContact CA-O 3.44Å; E387-V424 HydrophobicContact CB-CG2 4.44Å; E387-V424 HydrophobicContact CG-CG2 3.87Å; E387-V424 WeakPolarHBondContact OE2-CG2 3.4Å; E387-R495 IonicContact OE1-CZ 3.54Å; E387-R495 IonicContact OE1-NE 3.61Å; E387-R495 PolarHBondContact OE1-NE 3.2Å; E387-R495 IonicContact OE1-NH2 2.71Å; E387-R495 PolarHBondContact OE1-NH2 3.45Å; E387-R495 IonicContact OE2-CZ 3.28Å; E387-R495 IonicContact OE2-NE 3.72Å; E387-R495 PolarHBondContact OE2-NE 2.82Å; E387-R495 IonicContact OE2-NH2 3.89Å; E387-Y499 HydrophobicContact CG-CE2 4.24Å; E387-Y499 WeakPolarHBondContact OE1-CE2 3.26Å; E387-Y499 PolarHBondContact OE1-OH 3.12Å
388	I	98.8	Very high	94.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	119.6	173.1	-65.1	174.3	0	0	0	107.2	Y87 L344 H346 R385 I422 R423	Y87-I388 HydrophobicContact CD2-CD1 3.51Å; Y87-I388 HydrophobicContact CE2-CD1 4.35Å; Y87-I388 HydrophobicContact CG-CD1 3.92Å; L344-I388 HydrophobicContact CD1-CD1 3.68Å; L344-I388 HydrophobicContact CD2-CD1 4.31Å; L344-I388 HydrophobicContact CD2-CG1 4.37Å; L344-I388 HydrophobicContact CG-CD1 3.93Å; L344-I388 HydrophobicContact CG-CG1 4.44Å; H346-I388 HydrophobicContact CB-CD1 3.96Å; H346-I388 HydrophobicContact CB-CG1 4.18Å; R385-I388 HydrophobicContact CG-CG1 4.28Å; I388-I422 CarbonylContact O-C 3.53Å; I388-I422 WeakPolarHBondContact O-CA 3.31Å; I388-I422 VanDerWaalsContact O-CG1 3.28Å; I388-I422 WeakPolarHBondContact O-CG1 3.4Å; I388-R423 PolarHBondContact N-O 2.61Å; I388-R423 PolarHBondContact O-N 3.38Å
389	L	98.8	Very high	92.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	125.2	154.8	-172.9	70.4	0	0	0	107.2	Y104 I106 I392 I422 L496 Y499	Y104-L389 HydrophobicContact CD1-CB 4.47Å; Y104-L389 HydrophobicContact CD2-CB 4.19Å; Y104-L389 HydrophobicContact CE1-CB 4.23Å; Y104-L389 WeakPolarHBondContact CE1-O 3.45Å; Y104-L389 HydrophobicContact CE2-CB 3.94Å; Y104-L389 HydrophobicContact CG-CB 4.48Å; Y104-L389 PolarHBondContact OH-N 3.25Å; I106-L389 HydrophobicContact CD1-CD2 3.6Å; I106-L389 HydrophobicContact CG1-CD2 3.91Å; I106-L389 HydrophobicContact CG2-CD2 3.9Å; L389-I392 HydrophobicContact CD1-CD1 4.04Å; L389-I392 HydrophobicContact CD1-CG1 3.99Å; L389-I392 HydrophobicContact CD2-CD1 4.07Å; L389-I392 HydrophobicContact CD2-CG1 4.25Å; L389-I422 HydrophobicContact CD1-CB 4.3Å; L389-I422 HydrophobicContact CD1-CG1 4.46Å; L389-L496 HydrophobicContact CD1-CD2 3.65Å; L389-Y499 HydrophobicContact CB-CD2 3.96Å; L389-Y499 HydrophobicContact CB-CE1 4.48Å; L389-Y499 HydrophobicContact CB-CE2 3.79Å; L389-Y499 HydrophobicContact CB-CG 4.34Å; L389-Y499 HydrophobicContact CD1-CD2 3.82Å; L389-Y499 HydrophobicContact CD1-CE2 4.41Å; L389-Y499 HydrophobicContact CD1-CG 4.23Å; L389-Y499 HydrophobicContact CD2-CD1 4.2Å; L389-Y499 HydrophobicContact CD2-CD2 4.23Å; L389-Y499 HydrophobicContact CD2-CG 3.89Å; L389-Y499 HydrophobicContact CG-CD2 4.23Å; L389-Y499 HydrophobicContact CG-CG 4.39Å
390	H	98.6	Very high	90.6	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	-74	167.9	-62.4	-69.3	0	0	0	107.2	Y87 Q89 A421	Y87-H390 AromaticContact CD1-CE1 3.68Å; Q89-H390 VanDerWaalsContact CD-O 3.28Å; Q89-H390 PolarHBondContact NE2-O 2.73Å; Q89-H390 PolarHBondContact OE1-O 3.31Å; H390-A421 HydrophobicContact CB-CB 4.14Å; H390-A421 WeakPolarHBondContact CB-O 3.48Å; H390-A421 PolarHBondContact N-O 3.35Å
391	N	98.6	Very high	88.4	Confident	5 Å²	5	55.7 Å²	55.7	3%	0.027	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	169.8	173.5	-169.6	32	0	0	0	111.6	Q111 Y318 A420 A421	Q111-N391 PolarHBondContact O-ND2 3.47Å; Y318-N391 HydrophobicContact CE2-CB 3.89Å; Y318-N391 PolarHBondContact OH-ND2 2.71Å; N391-A420 VanDerWaalsContact O-CA 3.28Å; N391-A420 WeakPolarHBondContact O-CA 3.44Å; N391-A421 PolarHBondContact O-N 3.47Å; N391-A421 VanDerWaalsContact O-N 3.16Å
392	I	98.4	Very high	86.1	Confident	2 Å²	2	54.8 Å²	54.8	1%	0.01	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	108.8	167.4	-63	167.9	0	0	0	106.5	I106 Q111 L389 P394 W414 V418 A420 L496 N500	I106-I392 HydrophobicContact CG2-CB 4.14Å; I106-I392 HydrophobicContact CG2-CD1 4.49Å; Q111-I392 WeakPolarHBondContact CB-O 3.32Å; Q111-I392 WeakPolarHBondContact CG-O 3.39Å; L389-I392 HydrophobicContact CD1-CD1 4.04Å; L389-I392 HydrophobicContact CD1-CG1 3.99Å; L389-I392 HydrophobicContact CD2-CD1 4.07Å; L389-I392 HydrophobicContact CD2-CG1 4.25Å; I392-P394 VanDerWaalsContact O-CD 3.3Å; I392-P394 WeakPolarHBondContact O-CD 3.4Å; I392-W414 HydrophobicContact CD1-CH2 3.97Å; I392-W414 HydrophobicContact CG1-CH2 4.22Å; I392-W414 HydrophobicContact CG2-CH2 3.76Å; I392-W414 HydrophobicContact CG2-CZ2 4.16Å; I392-V418 HydrophobicContact CG2-CG1 4.04Å; I392-A420 HydrophobicContact CB-CB 4.47Å; I392-A420 HydrophobicContact CG1-CB 4.01Å; I392-L496 HydrophobicContact CD1-CD2 4.43Å; I392-L496 HydrophobicContact CG1-CD2 4.32Å; I392-N500 HydrophobicContact CD1-CB 4.1Å
393	D	97.3	Very high	83.9	Confident	6 Å²	6	49.2 Å²	49.2	3%	0.032	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	96.5	177	-173.3	-14.7	0	0	0	110.7	H112 L395 H396 Q419	H112-D393 IonicContact CE1-OD2 3.3Å; H112-D393 IonicContact CG-OD1 3.37Å; H112-D393 IonicContact CG-OD2 2.72Å; H112-D393 IonicContact ND1-OD1 3.84Å; H112-D393 PolarHBondContact ND1-OD1 3.24Å; H112-D393 IonicContact ND1-OD2 3.61Å; H112-D393 PolarHBondContact ND1-OD2 3.02Å; D393-L395 PolarHBondContact O-N 2.96Å; D393-L395 WeakPolarHBondContact OD1-CA 3.48Å; D393-L395 WeakPolarHBondContact OD1-CB 3.48Å; D393-L395 PolarHBondContact OD1-N 2.91Å; D393-H396 HydrophobicContact CB-CB 4.21Å; D393-H396 PolarHBondContact O-N 2.69Å; D393-H396 PolarHBondContact OD1-N 2.86Å; D393-H396 VanDerWaalsContact OD1-N 3.09Å; D393-Q419 HydrophobicContact CB-CB 4.48Å; D393-Q419 PolarHBondContact N-O 3.13Å
394	P	92.3	Very high	81.5	Confident	39 Å²	39	50.5 Å²	50.5	25%	0.253	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	-5.4	-179	33.4	-37.4	0	0	0	114	I392 R397 V506	I392-P394 VanDerWaalsContact O-CD 3.3Å; I392-P394 WeakPolarHBondContact O-CD 3.4Å; P394-R397 PolarHBondContact O-NE 3.06Å; P394-V506 HydrophobicContact CG-CG2 3.58Å
395	L	91.4	Very high	79.2	Confident	100 Å²	100	50.4 Å²	50.4	52%	0.524	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	-30.8	172.4	-57.4	-174.8	0	0	0	111.2	H112 D393 R397 V506 F508	H112-L395 HydrophobicContact CB-CD1 3.98Å; D393-L395 PolarHBondContact O-N 2.96Å; D393-L395 WeakPolarHBondContact OD1-CA 3.48Å; D393-L395 WeakPolarHBondContact OD1-CB 3.48Å; D393-L395 PolarHBondContact OD1-N 2.91Å; L395-R397 PolarHBondContact O-N 3.24Å; L395-V506 HydrophobicContact CD1-CB 4.29Å; L395-V506 HydrophobicContact CD1-CG1 3.84Å; L395-V506 HydrophobicContact CG-CG1 4.43Å; L395-V506 HydrophobicContact CG-CG2 4.42Å; L395-F508 HydrophobicContact CD1-CB 4.47Å
396	H	85.2	Confident	76.8	Confident	74 Å²	74	50.9 Å²	50.9	34%	0.343	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	88.5	172.4	-156.1	74.4	0	0	0	111.3	D393 Q419	D393-H396 HydrophobicContact CB-CB 4.21Å; D393-H396 PolarHBondContact O-N 2.69Å; D393-H396 PolarHBondContact OD1-N 2.86Å; D393-H396 VanDerWaalsContact OD1-N 3.09Å; H396-Q419 HydrophobicContact CB-CB 4.04Å; H396-Q419 PolarHBondContact CD2-NE2 3.07Å; H396-Q419 VanDerWaalsContact O-CB 3.31Å; H396-Q419 WeakPolarHBondContact O-CB 3.01Å; H396-Q419 PolarHBondContact O-N 2.96Å
397	R	79.9	Confident	74.4	Confident	121 Å²	121	49.9 Å²	49.9	46%	0.457	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	135.8	178.6	-66.7	172.4	174.4	-100.2	-3.7	111.3	P394 L395 T399 D415 T417 V418	P394-R397 PolarHBondContact O-NE 3.06Å; L395-R397 PolarHBondContact O-N 3.24Å; R397-T399 PolarHBondContact O-N 3.43Å; R397-D415 IonicContact CZ-OD2 3.16Å; R397-D415 IonicContact NH1-OD2 2.72Å; R397-D415 PolarHBondContact NH1-OD2 3.04Å; R397-D415 IonicContact NH2-OD2 2.83Å; R397-T417 WeakPolarHBondContact CA-O 3.22Å; R397-V418 HydrophobicContact CG-CG2 4.37Å
398	R	68.9	Low	72	Confident	64 Å²	64	56.3 Å²	56.3	24%	0.242	35%	0.346	C	S	.	.			trans	-78.1	112.9	172.8	-165.4	171.9	-173.9	176.2	2.1	110.1	T417 D433 G461 K464	R398-T417 PolarHBondContact N-O 3.35Å; R398-D433 HydrophobicContact CB-CB 4.42Å; R398-G461 PolarHBondContact NH1-O 3.36Å; R398-G461 PolarHBondContact NH2-O 3.23Å; R398-K464 PolarHBondContact NH1-O 3Å
399	T	56.8	Low	69.7	Low	124 Å²	124	62.5 Å²	62.5	76%	0.761	38%	0.375	S	S	*	.			trans	-86.5	161.6	179.4	51	0	0	0	0	112.3	R397	R397-T399 PolarHBondContact O-N 3.43Å
400	G	52.4	Low	67.5	Low	81 Å²	81	63 Å²	63	84%	0.835	38%	0.379	S	S	*	.	S	Bend	trans	80.3	14.4	165.2	0	0	0	0	0	117.4
401	L	51.6	Low	65.5	Low	72 Å²	72	66.2 Å²	66.2	38%	0.377	39%	0.394	S	S	.	.			trans	-134.2	137.6	179.3	-72.9	168.3	0	0	0	112.2
402	P	49.7	Very low	63.9	Low	104 Å²	104	73.8 Å²	73.8	68%	0.675	43%	0.429	S	S	*	.			trans	-67.4	143.7	163.4	30.5	-33.3	0	0	0	109.7	S404	P402-S404 PolarHBondContact O-N 3.11Å
403	P	51.8	Low	63.2	Low	54 Å²	54	77.1 Å²	77.1	35%	0.351	45%	0.447	S	S	.	.			trans	-64.5	110.1	-178.4	25.9	-35	0	0	0	111.2	Q411	P403-Q411 HydrophobicContact CB-CG 4.48Å; P403-Q411 PolarHBondContact O-NE2 3.01Å; P403-Q411 VanDerWaalsContact O-NE2 3.1Å
404	S	48.4	Very low	62.9	Low	46 Å²	46	77.5 Å²	77.5	32%	0.322	45%	0.447	S	S	.	.			trans	-104.1	158.9	-173.7	76.5	0	0	0	0	112.6	P402 S406 G463	P402-S404 PolarHBondContact O-N 3.11Å; S404-S406 PolarHBondContact O-N 3.34Å; S404-S406 VanDerWaalsContact O-N 3.09Å; S404-G463 PolarHBondContact OG-O 2.94Å
405	G	50.2	Low	62.8	Low	60 Å²	60	78.8 Å²	78.8	62%	0.619	45%	0.452	S	S	*	.	S	Bend	trans	75.1	-7.2	169.5	0	0	0	0	0	117
406	S	47.3	Very low	62.8	Low	13 Å²	13	74.1 Å²	74.1	9%	0.091	43%	0.428	C	S	.	.	S	Bend	trans	-120.1	126.3	169.8	68.6	0	0	0	0	110.7	S404 Q411	S404-S406 PolarHBondContact O-N 3.34Å; S404-S406 VanDerWaalsContact O-N 3.09Å; S406-Q411 PolarHBondContact O-NE2 3.3Å
407	G	47.3	Very low	63	Low	59 Å²	59	72.1 Å²	72.1	61%	0.608	42%	0.421	S	S	*	.			trans	-59	150.2	178.5	0	0	0	0	0	111.6	E409 A410	G407-E409 PolarHBondContact O-N 3.43Å; G407-A410 WeakPolarHBondContact O-CB 3.43Å; G407-A410 PolarHBondContact O-N 3.2Å
408	Q	49.1	Very low	63.7	Low	157 Å²	157	66.7 Å²	66.7	73%	0.734	40%	0.401	S	S	*	.	H	α-helix	trans	-48.7	-38.3	-164.5	-66.7	174.7	-9.9	0	0	114.3	A410 Q411 H412	Q408-A410 VanDerWaalsContact C-N 3.26Å; Q408-A410 PolarHBondContact O-N 3.06Å; Q408-Q411 WeakPolarHBondContact O-CB 3.22Å; Q408-Q411 PolarHBondContact O-N 3.48Å; Q408-Q411 VanDerWaalsContact O-N 3.15Å; Q408-H412 PolarHBondContact O-CD2 2.8Å; Q408-H412 PolarHBondContact O-N 3.39Å
409	E	49.9	Very low	64.9	Low	131 Å²	131	64.3 Å²	64.3	61%	0.612	39%	0.393	S	S	*	.	H	α-helix	trans	-52.7	-36.9	174.3	-64.7	-165.7	130.6	0	0	114.9	G407 Q411 H412 K490	G407-E409 PolarHBondContact O-N 3.43Å; E409-Q411 VanDerWaalsContact C-N 3.34Å; E409-H412 PolarHBondContact O-N 3.32Å; E409-K490 IonicContact OE1-NZ 3.45Å; E409-K490 IonicContact OE2-NZ 3.71Å; E409-K490 PolarHBondContact OE2-NZ 3.2Å
410	A	52.6	Low	66.8	Low	11 Å²	11	58.4 Å²	58.4	9%	0.091	36%	0.357	C	S	.	.	H	α-helix	trans	-72.1	-31.5	-177.1	0	0	0	0	0	112	G407 Q408 H412 L413 W414 L493	G407-A410 WeakPolarHBondContact O-CB 3.43Å; G407-A410 PolarHBondContact O-N 3.2Å; Q408-A410 VanDerWaalsContact C-N 3.26Å; Q408-A410 PolarHBondContact O-N 3.06Å; A410-H412 VanDerWaalsContact C-N 3.29Å; A410-H412 PolarHBondContact O-N 2.83Å; A410-L413 WeakPolarHBondContact O-CB 3.07Å; A410-L413 PolarHBondContact O-N 2.74Å; A410-L413 VanDerWaalsContact O-N 3.09Å; A410-W414 PolarHBondContact O-N 3.3Å; A410-L493 HydrophobicContact CB-CD1 3.9Å
411	Q	55.8	Low	69.1	Low	67 Å²	67	54.6 Å²	54.6	31%	0.313	32%	0.317	S	S	.	.	H	α-helix	trans	-69.6	-29.2	178.3	-50.9	-176.6	8.3	0	0	111.3	P403 S406 Q408 E409 L413	P403-Q411 HydrophobicContact CB-CG 4.48Å; P403-Q411 PolarHBondContact O-NE2 3.01Å; P403-Q411 VanDerWaalsContact O-NE2 3.1Å; S406-Q411 PolarHBondContact O-NE2 3.3Å; Q408-Q411 WeakPolarHBondContact O-CB 3.22Å; Q408-Q411 PolarHBondContact O-N 3.48Å; Q408-Q411 VanDerWaalsContact O-N 3.15Å; E409-Q411 VanDerWaalsContact C-N 3.34Å; Q411-L413 PolarHBondContact O-N 2.56Å
412	H	66.3	Low	71.3	Confident	164 Å²	164	51.1 Å²	51.1	76%	0.759	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-12.7	171.6	-63.5	-55.9	0	0	0	114.1	Q408 E409 A410	Q408-H412 PolarHBondContact O-CD2 2.8Å; Q408-H412 PolarHBondContact O-N 3.39Å; E409-H412 PolarHBondContact O-N 3.32Å; A410-H412 VanDerWaalsContact C-N 3.29Å; A410-H412 PolarHBondContact O-N 2.83Å
413	L	83	Confident	73.6	Confident	73 Å²	73	46.4 Å²	46.4	38%	0.382	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-36.2	176.4	-64.3	173.3	0	0	0	112.8	A410 Q411 K490 A497	A410-L413 WeakPolarHBondContact O-CB 3.07Å; A410-L413 PolarHBondContact O-N 2.74Å; A410-L413 VanDerWaalsContact O-N 3.09Å; Q411-L413 PolarHBondContact O-N 2.56Å; L413-K490 HydrophobicContact CD1-CG 3.78Å; L413-A497 VanDerWaalsContact O-CB 3.29Å; L413-A497 WeakPolarHBondContact O-CB 3.3Å
414	W	91	Very high	75.9	Confident	13 Å²	13	44.5 Å²	44.5	5%	0.049	26%	0.255	C	S	.	.			trans	-150	136.6	-173.3	-176.2	-106.6	0	0	0	112.5	I392 A410 T416 V418 A420 T431 L493 L496 A497 N500	I392-W414 HydrophobicContact CD1-CH2 3.97Å; I392-W414 HydrophobicContact CG1-CH2 4.22Å; I392-W414 HydrophobicContact CG2-CH2 3.76Å; I392-W414 HydrophobicContact CG2-CZ2 4.16Å; A410-W414 PolarHBondContact O-N 3.3Å; W414-T416 PolarHBondContact O-N 3.42Å; W414-V418 HydrophobicContact CZ2-CB 4.36Å; W414-V418 HydrophobicContact CZ2-CG1 4.13Å; W414-A420 HydrophobicContact CZ2-CB 3.84Å; W414-T431 PolarHBondContact NE1-OG1 2.92Å; W414-T431 VanDerWaalsContact NE1-OG1 3.1Å; W414-L493 HydrophobicContact CB-CB 4Å; W414-L493 HydrophobicContact CB-CD2 3.83Å; W414-L493 HydrophobicContact CB-CG 4.41Å; W414-L493 VanDerWaalsContact CD1-CD2 3.48Å; W414-L493 HydrophobicContact CG-CD2 3.84Å; W414-L496 HydrophobicContact CD2-CB 3.82Å; W414-L496 HydrophobicContact CD2-CD1 4.32Å; W414-L496 HydrophobicContact CE3-CB 3.8Å; W414-L496 HydrophobicContact CH2-CB 4.06Å; W414-L496 HydrophobicContact CZ2-CB 4.07Å; W414-L496 HydrophobicContact CZ2-CD1 4.21Å; W414-L496 HydrophobicContact CZ3-CB 3.92Å; W414-A497 HydrophobicContact CE3-CB 4.12Å; W414-N500 HydrophobicContact CH2-CB 3.97Å; W414-N500 HydrophobicContact CZ3-CB 3.59Å
415	D	90.7	Very high	78.2	Confident	66 Å²	66	43.7 Å²	43.7	35%	0.353	25%	0.254	S	S	.	.			trans	-73.7	91.3	169.9	-178.8	-5.5	0	0	0	109.7	R397 T417 V418	R397-D415 IonicContact CZ-OD2 3.16Å; R397-D415 IonicContact NH1-OD2 2.72Å; R397-D415 PolarHBondContact NH1-OD2 3.04Å; R397-D415 IonicContact NH2-OD2 2.83Å; D415-T417 PolarHBondContact O-N 3.27Å; D415-T417 WeakPolarHBondContact OD1-CB 3.07Å; D415-T417 PolarHBondContact OD1-N 3.33Å; D415-T417 VanDerWaalsContact OD1-N 3.07Å; D415-T417 PolarHBondContact OD1-OG1 3.35Å; D415-V418 HydrophobicContact CB-CG2 4.15Å; D415-V418 WeakPolarHBondContact O-CB 3.39Å; D415-V418 PolarHBondContact O-N 3.09Å; D415-V418 VanDerWaalsContact O-N 3.13Å
416	T	90.8	Very high	80.4	Confident	3 Å²	3	43.7 Å²	43.7	2%	0.018	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-5.5	-179	67.3	0	0	0	0	114.1	W414 V418 G432 S465 V466 L493	W414-T416 PolarHBondContact O-N 3.42Å; T416-V418 VanDerWaalsContact C-N 3.33Å; T416-G432 WeakPolarHBondContact O-CA 3.45Å; T416-G432 PolarHBondContact O-N 3.45Å; T416-S465 WeakPolarHBondContact O-CB 3.32Å; T416-S465 PolarHBondContact OG1-OG 3.38Å; T416-S465 VanDerWaalsContact OG1-OG 3.05Å; T416-V466 HydrophobicContact CG2-CG2 3.59Å; T416-L493 HydrophobicContact CG2-CD2 4.17Å
417	T	89.9	Confident	82.9	Confident	32 Å²	32	45 Å²	45	20%	0.196	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-19.7	173.5	74.1	0	0	0	0	112.9	R397 R398 D415 G432	R397-T417 WeakPolarHBondContact CA-O 3.22Å; R398-T417 PolarHBondContact N-O 3.35Å; D415-T417 PolarHBondContact O-N 3.27Å; D415-T417 WeakPolarHBondContact OD1-CB 3.07Å; D415-T417 PolarHBondContact OD1-N 3.33Å; D415-T417 VanDerWaalsContact OD1-N 3.07Å; D415-T417 PolarHBondContact OD1-OG1 3.35Å; T417-G432 WeakPolarHBondContact O-CA 3.42Å
418	V	93.4	Very high	85.3	Confident	6 Å²	6	42.2 Å²	42.2	4%	0.036	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	130.9	178.1	172.1	0	0	0	0	110.6	I392 R397 W414 D415 T416 A420 T431 G432	I392-V418 HydrophobicContact CG2-CG1 4.04Å; R397-V418 HydrophobicContact CG-CG2 4.37Å; W414-V418 HydrophobicContact CZ2-CB 4.36Å; W414-V418 HydrophobicContact CZ2-CG1 4.13Å; D415-V418 HydrophobicContact CB-CG2 4.15Å; D415-V418 WeakPolarHBondContact O-CB 3.39Å; D415-V418 PolarHBondContact O-N 3.09Å; D415-V418 VanDerWaalsContact O-N 3.13Å; T416-V418 VanDerWaalsContact C-N 3.33Å; V418-A420 PolarHBondContact O-N 2.81Å; V418-A420 VanDerWaalsContact O-N 3.17Å; V418-T431 CarbonylContact O-C 3.55Å; V418-T431 VanDerWaalsContact O-C 3.31Å; V418-T431 PolarHBondContact O-OG1 2.79Å; V418-G432 WeakPolarHBondContact O-CA 3.24Å; V418-G432 PolarHBondContact O-N 2.88Å
419	Q	94.9	Very high	87.7	Confident	15 Å²	15	34.7 Å²	34.7	7%	0.07	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	113.7	169.6	178.8	-178.6	86.3	0	0	110.1	Y318 D393 H396 T431 D433	Y318-Q419 HydrophobicContact CD2-CG 4.15Å; Y318-Q419 HydrophobicContact CE1-CG 4.07Å; Y318-Q419 VanDerWaalsContact CE1-OE1 3.3Å; Y318-Q419 HydrophobicContact CE2-CG 3.63Å; Y318-Q419 VanDerWaalsContact CZ-CD 3.49Å; Y318-Q419 PolarHBondContact OH-OE1 3.35Å; D393-Q419 HydrophobicContact CB-CB 4.48Å; D393-Q419 PolarHBondContact N-O 3.13Å; H396-Q419 HydrophobicContact CB-CB 4.04Å; H396-Q419 PolarHBondContact CD2-NE2 3.07Å; H396-Q419 VanDerWaalsContact O-CB 3.31Å; H396-Q419 WeakPolarHBondContact O-CB 3.01Å; H396-Q419 PolarHBondContact O-N 2.96Å; Q419-T431 WeakPolarHBondContact CA-O 3.27Å; Q419-D433 VanDerWaalsContact CG-O 3.3Å; Q419-D433 WeakPolarHBondContact CG-O 3.3Å; Q419-D433 PolarHBondContact NE2-O 3.16Å
420	A	97.9	Very high	89.9	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	155.5	174.9	0	0	0	0	0	111.2	N391 I392 W414 V418 L430 T431 L496	N391-A420 VanDerWaalsContact O-CA 3.28Å; N391-A420 WeakPolarHBondContact O-CA 3.44Å; I392-A420 HydrophobicContact CB-CB 4.47Å; I392-A420 HydrophobicContact CG1-CB 4.01Å; W414-A420 HydrophobicContact CZ2-CB 3.84Å; V418-A420 PolarHBondContact O-N 2.81Å; V418-A420 VanDerWaalsContact O-N 3.17Å; A420-L430 CarbonylContact O-C 3.49Å; A420-L430 WeakPolarHBondContact O-CA 3.35Å; A420-T431 PolarHBondContact N-O 2.63Å; A420-T431 PolarHBondContact O-N 2.95Å; A420-L496 HydrophobicContact CB-CD1 4.01Å; A420-L496 HydrophobicContact CB-CD2 4.03Å
421	A	98.6	Very high	91.9	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	149.3	166	0	0	0	0	0	112.1	Y318 H390 N391 L429 L430	Y318-A421 HydrophobicContact CD2-CB 3.65Å; Y318-A421 HydrophobicContact CG-CB 4.28Å; H390-A421 HydrophobicContact CB-CB 4.14Å; H390-A421 WeakPolarHBondContact CB-O 3.48Å; H390-A421 PolarHBondContact N-O 3.35Å; N391-A421 PolarHBondContact O-N 3.47Å; N391-A421 VanDerWaalsContact O-N 3.16Å; A421-L429 WeakPolarHBondContact CA-O 3.29Å; A421-L429 WeakPolarHBondContact CB-O 3.48Å; A421-L430 HydrophobicContact CB-CB 4.34Å; A421-L430 HydrophobicContact CB-CD2 4.29Å; A421-L430 HydrophobicContact CB-CG 3.96Å
422	I	98.8	Very high	93.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	142.1	-179.7	-170.5	179.6	0	0	0	109.9	E387 I388 L389 V424 K428 L429 L492 R495 L496 Y499	E387-I422 HydrophobicContact CG-CD1 4.21Å; E387-I422 HydrophobicContact CG-CG1 4.38Å; I388-I422 CarbonylContact O-C 3.53Å; I388-I422 WeakPolarHBondContact O-CA 3.31Å; I388-I422 VanDerWaalsContact O-CG1 3.28Å; I388-I422 WeakPolarHBondContact O-CG1 3.4Å; L389-I422 HydrophobicContact CD1-CB 4.3Å; L389-I422 HydrophobicContact CD1-CG1 4.46Å; I422-V424 HydrophobicContact CD1-CG2 4.04Å; I422-V424 HydrophobicContact CG1-CG2 4.17Å; I422-K428 CarbonylContact O-C 3.57Å; I422-K428 WeakPolarHBondContact O-CA 3.49Å; I422-L429 HydrophobicContact CG2-CB 4.02Å; I422-L429 PolarHBondContact N-O 2.04Å; I422-L429 PolarHBondContact O-N 3.5Å; I422-L492 HydrophobicContact CG2-CB 4.32Å; I422-R495 HydrophobicContact CD1-CB 3.41Å; I422-R495 VanDerWaalsContact CD1-CB 3.41Å; I422-R495 HydrophobicContact CD1-CG 4.34Å; I422-L496 HydrophobicContact CB-CD2 3.79Å; I422-L496 HydrophobicContact CB-CG 4.4Å; I422-L496 HydrophobicContact CG2-CD1 4.46Å; I422-L496 HydrophobicContact CG2-CD2 3.82Å; I422-L496 HydrophobicContact CG2-CG 3.89Å; I422-Y499 HydrophobicContact CD1-CD2 4.07Å; I422-Y499 HydrophobicContact CD1-CE2 3.96Å
423	R	98.6	Very high	94.8	Very high	4 Å²	4	19.7 Å²	19.7	2%	0.015	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	134	168.7	178.9	164.5	179.6	-164.7	-6	110.7	N85 Y87 E387 I388 G425 W427 K428 T472	N85-R423 PolarHBondContact OD1-NH1 3.48Å; Y87-R423 PolarHBondContact OH-NH1 3.36Å; E387-R423 CarbonylContact C-O 3.45Å; E387-R423 VanDerWaalsContact CA-O 3.3Å; E387-R423 WeakPolarHBondContact CA-O 3.44Å; I388-R423 PolarHBondContact N-O 2.61Å; I388-R423 PolarHBondContact O-N 3.38Å; R423-G425 PolarHBondContact NE-O 3.39Å; R423-G425 PolarHBondContact NH2-O 2.77Å; R423-G425 VanDerWaalsContact NH2-O 3.09Å; R423-W427 CarbonylContact C-O 3.57Å; R423-W427 VanDerWaalsContact CA-O 3.28Å; R423-W427 WeakPolarHBondContact CA-O 3.42Å; R423-W427 WeakPolarHBondContact CG-O 3.29Å; R423-K428 HydrophobicContact CB-CB 4.32Å; R423-K428 HydrophobicContact CB-CG 4.37Å; R423-K428 HydrophobicContact CG-CB 4.48Å; R423-T472 PolarHBondContact NH2-OG1 3.27Å
424	V	98.5	Very high	95.2	Very high	15 Å²	15	16.3 Å²	16.3	9%	0.091	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	109.3	177.6	-173.6	0	0	0	0	108.4	E387 I422 D426 W427 L492 R495 I568	E387-V424 HydrophobicContact CB-CG2 4.44Å; E387-V424 HydrophobicContact CG-CG2 3.87Å; E387-V424 WeakPolarHBondContact OE2-CG2 3.4Å; I422-V424 HydrophobicContact CD1-CG2 4.04Å; I422-V424 HydrophobicContact CG1-CG2 4.17Å; V424-D426 PolarHBondContact O-N 2.87Å; V424-W427 PolarHBondContact N-O 2.8Å; V424-W427 PolarHBondContact O-N 2.97Å; V424-L492 HydrophobicContact CB-CD2 3.71Å; V424-L492 HydrophobicContact CG2-CD2 3.38Å; V424-R495 HydrophobicContact CG2-CG 4.48Å; V424-I568 HydrophobicContact CG1-CD1 4.37Å
425	G	96.6	Very high	95.2	Very high	28 Å²	28	16.6 Å²	16.6	29%	0.289	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	-119.4	-170.4	0	0	0	0	0	111.7	L386 R423	L386-G425 PolarHBondContact O-N 3.18Å; R423-G425 PolarHBondContact NE-O 3.39Å; R423-G425 PolarHBondContact NH2-O 2.77Å; R423-G425 VanDerWaalsContact NH2-O 3.09Å
426	D	97.7	Very high	95	Very high	60 Å²	60	16.5 Å²	16.5	32%	0.321	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-20.7	180	-53.6	-57.9	0	0	0	113.4	V424 N470 I471 T472	V424-D426 PolarHBondContact O-N 2.87Å; D426-N470 CarbonylContact O-C 3.57Å; D426-N470 WeakPolarHBondContact O-CA 3.44Å; D426-I471 PolarHBondContact O-N 3.12Å; D426-T472 WeakPolarHBondContact OD1-CB 3.28Å; D426-T472 WeakPolarHBondContact OD1-CG2 3.17Å; D426-T472 PolarHBondContact OD1-OG1 2.74Å
427	W	98.6	Very high	94.7	Very high	41 Å²	41	17 Å²	17	16%	0.155	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	136	-169.6	-61.4	93.6	0	0	0	113.3	R423 V424 L468 F469 N470 L481 R485 V488 L492	R423-W427 CarbonylContact C-O 3.57Å; R423-W427 VanDerWaalsContact CA-O 3.28Å; R423-W427 WeakPolarHBondContact CA-O 3.42Å; R423-W427 WeakPolarHBondContact CG-O 3.29Å; V424-W427 PolarHBondContact N-O 2.8Å; V424-W427 PolarHBondContact O-N 2.97Å; W427-L468 HydrophobicContact CB-CD1 4.44Å; W427-L468 HydrophobicContact CE3-CD1 4.02Å; W427-L468 HydrophobicContact CE3-CD2 3.92Å; W427-L468 HydrophobicContact CE3-CG 3.9Å; W427-L468 HydrophobicContact CZ3-CD2 3.96Å; W427-L468 HydrophobicContact CZ3-CG 4.25Å; W427-F469 CarbonylContact C-O 3.37Å; W427-F469 WeakPolarHBondContact CA-O 3.43Å; W427-N470 HydrophobicContact CE3-CB 4.21Å; W427-N470 HydrophobicContact CH2-CB 4.24Å; W427-N470 HydrophobicContact CZ3-CB 4.03Å; W427-L481 HydrophobicContact CH2-CD1 4.02Å; W427-L481 HydrophobicContact CZ3-CB 4.34Å; W427-L481 HydrophobicContact CZ3-CD1 3.68Å; W427-R485 HydrophobicContact CH2-CG 4.2Å; W427-R485 HydrophobicContact CZ3-CG 4.46Å; W427-V488 HydrophobicContact CB-CG1 4.11Å; W427-V488 HydrophobicContact CD2-CG1 3.89Å; W427-V488 HydrophobicContact CD2-CG2 4.5Å; W427-V488 HydrophobicContact CE3-CG1 4.11Å; W427-V488 HydrophobicContact CG-CG1 3.87Å; W427-L492 HydrophobicContact CB-CD1 3.93Å
428	K	98.8	Very high	94.7	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128.7	172.5	-175.6	-174.6	-179.7	-171.2	0	110.6	Y318 E320 I422 R423 L430 L468 F469 I471 E477	Y318-K428 VanDerWaalsContact O-CE 3.31Å; Y318-K428 WeakPolarHBondContact O-CE 3.26Å; Y318-K428 PolarHBondContact O-NZ 3.22Å; E320-K428 IonicContact OE1-NZ 2.65Å; E320-K428 PolarHBondContact OE1-NZ 3.35Å; I422-K428 CarbonylContact O-C 3.57Å; I422-K428 WeakPolarHBondContact O-CA 3.49Å; R423-K428 HydrophobicContact CB-CB 4.32Å; R423-K428 HydrophobicContact CB-CG 4.37Å; R423-K428 HydrophobicContact CG-CB 4.48Å; K428-L430 HydrophobicContact CD-CD1 4.38Å; K428-L430 HydrophobicContact CG-CD1 4.26Å; K428-L468 CarbonylContact O-C 3.59Å; K428-L468 WeakPolarHBondContact O-CA 3.24Å; K428-F469 PolarHBondContact N-O 3.21Å; K428-F469 PolarHBondContact O-N 2.8Å; K428-I471 HydrophobicContact CB-CD1 4.01Å; K428-I471 HydrophobicContact CB-CG1 3.42Å; K428-I471 VanDerWaalsContact CB-CG1 3.42Å; K428-I471 HydrophobicContact CD-CD1 3.88Å; K428-I471 HydrophobicContact CD-CG1 3.91Å; K428-I471 HydrophobicContact CG-CG1 4.33Å; K428-E477 WeakPolarHBondContact CD-OE1 3.4Å; K428-E477 WeakPolarHBondContact CE-OE1 3.3Å; K428-E477 IonicContact NZ-OE1 3.82Å; K428-E477 PolarHBondContact NZ-OE1 3.27Å
429	L	98.6	Very high	94.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	141.3	173.8	-167.9	87.8	0	0	0	109.7	A421 I422 T431 V466 W467 L468 V489 L492 L493 L496	A421-L429 WeakPolarHBondContact CA-O 3.29Å; A421-L429 WeakPolarHBondContact CB-O 3.48Å; I422-L429 HydrophobicContact CG2-CB 4.02Å; I422-L429 PolarHBondContact N-O 2.04Å; I422-L429 PolarHBondContact O-N 3.5Å; L429-T431 HydrophobicContact CD2-CG2 4.08Å; L429-V466 HydrophobicContact CD1-CG1 3.93Å; L429-W467 WeakPolarHBondContact CA-O 3.39Å; L429-W467 WeakPolarHBondContact CD1-O 3.15Å; L429-L468 HydrophobicContact CB-CD1 4.48Å; L429-L468 HydrophobicContact CD1-CB 4.23Å; L429-L468 HydrophobicContact CD1-CD1 4Å; L429-V489 HydrophobicContact CD1-CB 4.36Å; L429-V489 HydrophobicContact CD1-CG1 4.21Å; L429-V489 HydrophobicContact CD1-CG2 4.08Å; L429-L492 HydrophobicContact CB-CB 3.83Å; L429-L492 HydrophobicContact CB-CD1 3.79Å; L429-L492 HydrophobicContact CB-CG 4.47Å; L429-L492 HydrophobicContact CD1-CB 4.4Å; L429-L492 HydrophobicContact CD2-CB 3.85Å; L429-L492 HydrophobicContact CG-CB 4.24Å; L429-L493 HydrophobicContact CD2-CD2 3.66Å; L429-L493 HydrophobicContact CD2-CG 3.91Å; L429-L496 HydrophobicContact CD2-CD1 4Å
430	L	97.7	Very high	94.2	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	143.4	169.5	-50.2	91	0	0	0	109.7	W319 A420 A421 K428 P434 V466 W467 F469	W319-L430 HydrophobicContact CD2-CD2 4.29Å; W319-L430 HydrophobicContact CE3-CD2 3.95Å; W319-L430 HydrophobicContact CZ3-CD1 4.37Å; W319-L430 HydrophobicContact CZ3-CD2 4.24Å; A420-L430 CarbonylContact O-C 3.49Å; A420-L430 WeakPolarHBondContact O-CA 3.35Å; A421-L430 HydrophobicContact CB-CB 4.34Å; A421-L430 HydrophobicContact CB-CD2 4.29Å; A421-L430 HydrophobicContact CB-CG 3.96Å; K428-L430 HydrophobicContact CD-CD1 4.38Å; K428-L430 HydrophobicContact CG-CD1 4.26Å; L430-P434 HydrophobicContact CB-CB 4.3Å; L430-P434 HydrophobicContact CB-CG 3.86Å; L430-P434 HydrophobicContact CD2-CB 3.78Å; L430-P434 HydrophobicContact CD2-CG 4.21Å; L430-V466 WeakPolarHBondContact O-CA 3.39Å; L430-W467 HydrophobicContact CB-CE3 4.43Å; L430-W467 HydrophobicContact CD1-CB 4.27Å; L430-W467 PolarHBondContact N-O 3.11Å; L430-W467 PolarHBondContact O-N 3.08Å; L430-F469 HydrophobicContact CD1-CD2 3.83Å; L430-F469 HydrophobicContact CD1-CE2 3.81Å
431	T	94.7	Very high	93.7	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	163	174.5	69.9	0	0	0	0	112.9	W414 V418 Q419 A420 L429 S465 V466 L493 L496	W414-T431 PolarHBondContact NE1-OG1 2.92Å; W414-T431 VanDerWaalsContact NE1-OG1 3.1Å; V418-T431 CarbonylContact O-C 3.55Å; V418-T431 VanDerWaalsContact O-C 3.31Å; V418-T431 PolarHBondContact O-OG1 2.79Å; Q419-T431 WeakPolarHBondContact CA-O 3.27Å; A420-T431 PolarHBondContact N-O 2.63Å; A420-T431 PolarHBondContact O-N 2.95Å; L429-T431 HydrophobicContact CD2-CG2 4.08Å; T431-S465 CarbonylContact C-O 3.5Å; T431-S465 WeakPolarHBondContact CA-O 3.06Å; T431-V466 HydrophobicContact CG2-CG2 4.41Å; T431-L493 HydrophobicContact CG2-CD2 3.79Å; T431-L496 HydrophobicContact CG2-CD1 4.12Å
432	G	91.9	Very high	92.9	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	80.3	-126	175.4	0	0	0	0	0	112.8	T416 T417 V418 S465	T416-G432 WeakPolarHBondContact O-CA 3.45Å; T416-G432 PolarHBondContact O-N 3.45Å; T417-G432 WeakPolarHBondContact O-CA 3.42Å; V418-G432 WeakPolarHBondContact O-CA 3.24Å; V418-G432 PolarHBondContact O-N 2.88Å; G432-S465 PolarHBondContact N-O 3.28Å
433	D	90.9	Very high	91.7	Very high	57 Å²	57	19.1 Å²	19.1	31%	0.305	11%	0.113	S	C	.	.			trans	-110.8	106.6	162.2	-173.1	-16	0	0	0	108.4	R398 Q419 G435	R398-D433 HydrophobicContact CB-CB 4.42Å; Q419-D433 VanDerWaalsContact CG-O 3.3Å; Q419-D433 WeakPolarHBondContact CG-O 3.3Å; Q419-D433 PolarHBondContact NE2-O 3.16Å; D433-G435 PolarHBondContact O-N 3.28Å; D433-G435 WeakPolarHBondContact OD1-CA 3.3Å; D433-G435 PolarHBondContact OD1-N 3.16Å
434	P	91.4	Very high	90.3	Very high	2 Å²	2	21 Å²	21	1%	0.013	13%	0.125	C	C	.	.			trans	-70.4	-1.8	176.7	-19.4	33.4	0	0	0	114.4	T317 Y318 W319 L430 W467	T317-P434 CarbonylContact C-O 3.46Å; T317-P434 VanDerWaalsContact CA-O 3.27Å; T317-P434 WeakPolarHBondContact CA-O 3.28Å; T317-P434 WeakPolarHBondContact CB-O 3.26Å; Y318-P434 PolarHBondContact N-O 2.77Å; W319-P434 HydrophobicContact CD2-CB 4.39Å; W319-P434 HydrophobicContact CH2-CB 4.46Å; W319-P434 HydrophobicContact CH2-CG 4.29Å; W319-P434 HydrophobicContact CZ2-CB 3.79Å; W319-P434 HydrophobicContact CZ2-CG 3.92Å; L430-P434 HydrophobicContact CB-CB 4.3Å; L430-P434 HydrophobicContact CB-CG 3.86Å; L430-P434 HydrophobicContact CD2-CB 3.78Å; L430-P434 HydrophobicContact CD2-CG 4.21Å; P434-W467 VanDerWaalsContact CD-CZ3 3.43Å; P434-W467 HydrophobicContact CG-CD2 4.42Å; P434-W467 HydrophobicContact CG-CE3 3.7Å; P434-W467 HydrophobicContact CG-CH2 4.06Å; P434-W467 HydrophobicContact CG-CZ3 3.51Å
435	G	89.6	Confident	88.5	Confident	19 Å²	19	25.7 Å²	25.7	20%	0.196	15%	0.149	C	C	.	.			trans	89.1	-178.6	-172.5	0	0	0	0	0	113.2	W319 D433 G437	W319-G435 PolarHBondContact NE1-O 3.1Å; D433-G435 PolarHBondContact O-N 3.28Å; D433-G435 WeakPolarHBondContact OD1-CA 3.3Å; D433-G435 PolarHBondContact OD1-N 3.16Å; G435-G437 PolarHBondContact O-N 2.92Å
436	H	87.1	Confident	86.6	Confident	65 Å²	65	27.4 Å²	27.4	30%	0.301	16%	0.16	S	C	.	.			trans	-57.1	102.9	-172.3	-168.1	-75.1	0	0	0	113.8	T317 D438	T317-H436 HydrophobicContact CG2-CB 4.25Å; H436-D438 IonicContact CE1-OD2 3.21Å; H436-D438 PolarHBondContact CE1-OD2 2.69Å; H436-D438 IonicContact NE2-OD2 3.44Å
437	G	85.5	Confident	84.5	Confident	12 Å²	12	31.8 Å²	31.8	12%	0.124	18%	0.184	C	C	.	.			trans	-102.5	34.8	-167.1	0	0	0	0	0	117	R312 G435	R312-G437 PolarHBondContact NE-O 2.86Å; R312-G437 PolarHBondContact NH2-O 2.94Å; G435-G437 PolarHBondContact O-N 2.92Å
438	D	88.3	Confident	82.3	Confident	13 Å²	13	31.5 Å²	31.5	7%	0.07	18%	0.184	C	C	.	.			trans	-87.6	157.2	169.1	-64.5	-15	0	0	0	110.7	G313 H436 R457 N458	G313-D438 WeakPolarHBondContact CA-O 3.47Å; G313-D438 PolarHBondContact N-O 2.82Å; H436-D438 IonicContact CE1-OD2 3.21Å; H436-D438 PolarHBondContact CE1-OD2 2.69Å; H436-D438 IonicContact NE2-OD2 3.44Å; D438-R457 WeakPolarHBondContact OD1-CA 3.35Å; D438-R457 VanDerWaalsContact OD2-CG 3.27Å; D438-R457 WeakPolarHBondContact OD2-CG 3.31Å; D438-N458 PolarHBondContact OD1-N 3.33Å; D438-N458 VanDerWaalsContact OD1-N 3.07Å
439	W	91.3	Very high	80.1	Confident	17 Å²	17	34.2 Å²	34.2	6%	0.064	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-91.9	127.8	166.3	-62	-101	0	0	0	109.3	W309 P310 R312 E456 N458 Y476 E477 R478	W309-W439 HydrophobicContact CE3-CB 4.33Å; W309-W439 HydrophobicContact CZ3-CB 3.87Å; P310-W439 VanDerWaalsContact O-CD1 3.31Å; R312-W439 HydrophobicContact CB-CD2 4.41Å; R312-W439 HydrophobicContact CB-CG 4.45Å; R312-W439 HydrophobicContact CB-CZ2 4.29Å; R312-W439 VanDerWaalsContact CD-CZ2 3.48Å; R312-W439 HydrophobicContact CG-CD2 4.03Å; R312-W439 HydrophobicContact CG-CG 4.42Å; R312-W439 HydrophobicContact CG-CH2 4.47Å; R312-W439 HydrophobicContact CG-CZ2 3.92Å; R312-W439 VanDerWaalsContact CZ-CH2 3.43Å; W439-E456 HydrophobicContact CB-CB 4.1Å; W439-E456 VanDerWaalsContact CB-OE2 3.28Å; W439-E456 WeakPolarHBondContact CB-OE2 3.5Å; W439-E456 HydrophobicContact CE3-CB 4.06Å; W439-N458 HydrophobicContact CZ3-CB 4.47Å; W439-Y476 VanDerWaalsContact CE2-O 3.3Å; W439-Y476 VanDerWaalsContact CZ2-O 3.26Å; W439-Y476 WeakPolarHBondContact CZ2-O 3.28Å; W439-Y476 PolarHBondContact NE1-O 2.86Å; W439-E477 VanDerWaalsContact CZ2-O 3.31Å; W439-E477 WeakPolarHBondContact CZ2-O 3.32Å; W439-R478 VanDerWaalsContact CD1-NH2 3.32Å; W439-R478 VanDerWaalsContact CE2-NE 3.32Å; W439-R478 HydrophobicContact CZ2-CG 4.03Å
440	V	88.2	Confident	77.8	Confident	7 Å²	7	37.6 Å²	37.6	4%	0.042	24%	0.236	C	C	.	.			trans	-109.7	109.3	-177	-172.1	0	0	0	0	109.8	P302	P302-V440 HydrophobicContact CB-CB 4.1Å; P302-V440 HydrophobicContact CB-CG1 3.75Å; P302-V440 HydrophobicContact CB-CG2 4.38Å; P302-V440 HydrophobicContact CG-CB 4.15Å; P302-V440 HydrophobicContact CG-CG1 4.36Å; P302-V440 HydrophobicContact CG-CG2 4.28Å
441	P	86.8	Confident	75.4	Confident	24 Å²	24	41.3 Å²	41.3	16%	0.156	26%	0.262	C	S	.	.			trans	-69.5	166.3	-178.3	28.1	-34.9	0	0	0	113	W309 Q443	W309-P441 HydrophobicContact CD2-CB 4.33Å; W309-P441 VanDerWaalsContact CE3-CA 3.48Å; W309-P441 HydrophobicContact CE3-CB 3.97Å; W309-P441 HydrophobicContact CH2-CB 4.46Å; W309-P441 HydrophobicContact CZ3-CB 4.03Å; P441-Q443 PolarHBondContact O-N 2.88Å
442	P	81.8	Confident	73.3	Confident	31 Å²	31	47.7 Å²	47.7	20%	0.201	29%	0.286	C	S	.	.			trans	-65.4	117.6	-178.6	-20	34.3	0	0	0	111.7	N59 W309 V444	N59-P442 WeakPolarHBondContact ND2-CG 3.28Å; W309-P442 HydrophobicContact CB-CG 4.16Å; W309-P442 HydrophobicContact CG-CG 4.11Å; P442-V444 VanDerWaalsContact C-N 3.27Å; P442-V444 HydrophobicContact CB-CG1 4.18Å; P442-V444 PolarHBondContact O-N 3.16Å
443	Q	74.2	Confident	71.3	Confident	6 Å²	6	50.3 Å²	50.3	3%	0.028	30%	0.296	C	S	.	.			trans	-79.4	66.9	-174.8	-58.7	153	33.9	0	0	111.7	N257 P302 P441 F448 W453	N257-Q443 HydrophobicContact CB-CB 4.38Å; N257-Q443 WeakPolarHBondContact CB-O 3.44Å; N257-Q443 WeakPolarHBondContact ND2-CB 3.42Å; N257-Q443 PolarHBondContact ND2-OE1 2.75Å; N257-Q443 VanDerWaalsContact ND2-OE1 3.09Å; P302-Q443 PolarHBondContact O-NE2 3.19Å; P302-Q443 PolarHBondContact O-OE1 3.09Å; P441-Q443 PolarHBondContact O-N 2.88Å; Q443-F448 HydrophobicContact CB-CD2 4.4Å; Q443-W453 HydrophobicContact CG-CE3 4.47Å; Q443-W453 HydrophobicContact CG-CH2 4.31Å; Q443-W453 HydrophobicContact CG-CZ3 4.13Å
444	V	68.1	Low	69.5	Low	44 Å²	44	48.5 Å²	48.5	27%	0.267	29%	0.287	S	S	.	.			trans	-85.6	-19.6	-172.3	-62.5	0	0	0	0	114.8	M255 G256 P442	M255-V444 CarbonylContact C-O 3.54Å; G256-V444 PolarHBondContact N-O 3.39Å; P442-V444 VanDerWaalsContact C-N 3.27Å; P442-V444 HydrophobicContact CB-CG1 4.18Å; P442-V444 PolarHBondContact O-N 3.16Å
445	L	61.3	Low	67.7	Low	113 Å²	113	53.1 Å²	53.1	59%	0.592	31%	0.311	S	S	*	.	S	Bend	trans	-94.4	157.4	-178.3	-54.8	178.5	0	0	0	112.5	N257 F448	N257-L445 WeakPolarHBondContact CB-O 3.31Å; N257-L445 PolarHBondContact N-O 3.39Å; L445-F448 HydrophobicContact CB-CD2 3.68Å; L445-F448 HydrophobicContact CB-CE2 3.88Å; L445-F448 HydrophobicContact CD1-CE2 4.38Å; L445-F448 HydrophobicContact CG-CD2 4.32Å; L445-F448 HydrophobicContact CG-CE2 4Å
446	A	55.6	Low	66.2	Low	64 Å²	64	55 Å²	55	53%	0.529	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-50.5	-176.4	0	0	0	0	0	112.4	G256 F448	G256-A446 VanDerWaalsContact C-CA 3.45Å; A446-F448 VanDerWaalsContact C-N 3.33Å; A446-F448 PolarHBondContact O-N 3.14Å
447	N	53.5	Low	64.8	Low	152 Å²	152	59.3 Å²	59.3	81%	0.813	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	48.3	-176.3	-62.2	-4.4	0	0	0	110.9	P449	N447-P449 WeakPolarHBondContact O-CD 3.47Å; N447-P449 VanDerWaalsContact O-N 3.13Å
448	F	54	Low	63.6	Low	36 Å²	36	61.6 Å²	61.6	16%	0.158	34%	0.338	C	S	.	.			trans	-62.5	110.4	174	-118.2	-80.8	0	0	0	108.9	Q443 L445 A446 W452	Q443-F448 HydrophobicContact CB-CD2 4.4Å; L445-F448 HydrophobicContact CB-CD2 3.68Å; L445-F448 HydrophobicContact CB-CE2 3.88Å; L445-F448 HydrophobicContact CD1-CE2 4.38Å; L445-F448 HydrophobicContact CG-CD2 4.32Å; L445-F448 HydrophobicContact CG-CE2 4Å; A446-F448 VanDerWaalsContact C-N 3.33Å; A446-F448 PolarHBondContact O-N 3.14Å; F448-W452 HydrophobicContact CD1-CB 4.11Å; F448-W452 HydrophobicContact CE1-CB 4.43Å; F448-W452 HydrophobicContact CE1-CE3 4.42Å
449	P	51.8	Low	62.1	Low	57 Å²	57	66.6 Å²	66.6	37%	0.37	37%	0.369	S	S	.	.			trans	-63	148.9	-168.1	-24.5	34.4	0	0	0	112.5	N447 S451 W452 W453	N447-P449 WeakPolarHBondContact O-CD 3.47Å; N447-P449 VanDerWaalsContact O-N 3.13Å; P449-S451 PolarHBondContact O-N 2.79Å; P449-W452 HydrophobicContact CB-CB 4.36Å; P449-W452 HydrophobicContact CB-CG 4.14Å; P449-W452 HydrophobicContact CG-CB 4.45Å; P449-W452 HydrophobicContact CG-CD2 4.46Å; P449-W452 HydrophobicContact CG-CG 3.96Å; P449-W452 PolarHBondContact O-N 2.7Å; P449-W453 PolarHBondContact O-NE1 3.26Å
450	G	51.2	Low	60.2	Low	70 Å²	70	68.2 Å²	68.2	72%	0.722	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-23.2	176.7	0	0	0	0	0	114.4
451	S	46	Very low	58.6	Low	79 Å²	79	68.6 Å²	68.6	55%	0.552	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-14.4	174.4	47.3	0	0	0	0	115.2	P449 T454	P449-S451 PolarHBondContact O-N 2.79Å; S451-T454 PolarHBondContact O-OG1 2.85Å
452	W	50.4	Low	57.3	Low	133 Å²	133	73.7 Å²	73.7	50%	0.504	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-93.2	-11.4	-175.1	-79.5	47.7	0	0	0	114	F448 P449 T454 L455	F448-W452 HydrophobicContact CD1-CB 4.11Å; F448-W452 HydrophobicContact CE1-CB 4.43Å; F448-W452 HydrophobicContact CE1-CE3 4.42Å; P449-W452 HydrophobicContact CB-CB 4.36Å; P449-W452 HydrophobicContact CB-CG 4.14Å; P449-W452 HydrophobicContact CG-CB 4.45Å; P449-W452 HydrophobicContact CG-CD2 4.46Å; P449-W452 HydrophobicContact CG-CG 3.96Å; P449-W452 PolarHBondContact O-N 2.7Å; W452-T454 PolarHBondContact O-N 3.08Å; W452-L455 HydrophobicContact CB-CD1 4.4Å; W452-L455 HydrophobicContact CD2-CD1 3.6Å; W452-L455 HydrophobicContact CD2-CG 4.41Å; W452-L455 HydrophobicContact CE3-CD1 3.34Å; W452-L455 HydrophobicContact CG-CD1 4.1Å; W452-L455 HydrophobicContact CH2-CD1 4.28Å; W452-L455 HydrophobicContact CZ3-CD1 3.71Å; W452-L455 PolarHBondContact O-N 2.96Å
453	W	51.4	Low	56.4	Low	55 Å²	55	73.2 Å²	73.2	21%	0.208	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-62.5	-15.1	164.1	-55.2	76.2	0	0	0	112.4	F303 Q443 P449	F303-W453 AromaticContact CD1-CE3 3.61Å; F303-W453 HydrophobicContact CD1-CE3 3.61Å; F303-W453 AromaticContact CD1-CZ3 3.76Å; F303-W453 HydrophobicContact CD1-CZ3 3.76Å; F303-W453 HydrophobicContact CE1-CD2 4.41Å; F303-W453 AromaticContact CE1-CE3 3.73Å; F303-W453 HydrophobicContact CE1-CE3 3.73Å; F303-W453 HydrophobicContact CE1-CZ3 4.36Å; Q443-W453 HydrophobicContact CG-CE3 4.47Å; Q443-W453 HydrophobicContact CG-CH2 4.31Å; Q443-W453 HydrophobicContact CG-CZ3 4.13Å; P449-W453 PolarHBondContact O-NE1 3.26Å
454	T	52.8	Low	56.8	Low	20 Å²	20	75.4 Å²	75.4	12%	0.123	44%	0.437	C	S	.	.	G	3₁₀ helix	trans	-130.3	25.7	-168.3	49.4	0	0	0	0	111	S451 W452 E456 R457	S451-T454 PolarHBondContact O-OG1 2.85Å; W452-T454 PolarHBondContact O-N 3.08Å; T454-E456 VanDerWaalsContact C-N 3.34Å; T454-R457 HydrophobicContact CG2-CG 4.26Å; T454-R457 WeakPolarHBondContact O-CB 3.44Å; T454-R457 PolarHBondContact O-N 3.22Å
455	L	52.3	Low	57.7	Low	98 Å²	98	73.8 Å²	73.8	51%	0.513	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-41	-177.2	-139.4	168.6	0	0	0	111	W452 R457	W452-L455 HydrophobicContact CB-CD1 4.4Å; W452-L455 HydrophobicContact CD2-CD1 3.6Å; W452-L455 HydrophobicContact CD2-CG 4.41Å; W452-L455 HydrophobicContact CE3-CD1 3.34Å; W452-L455 HydrophobicContact CG-CD1 4.1Å; W452-L455 HydrophobicContact CH2-CD1 4.28Å; W452-L455 HydrophobicContact CZ3-CD1 3.71Å; W452-L455 PolarHBondContact O-N 2.96Å; L455-R457 PolarHBondContact O-N 2.84Å
456	E	57.8	Low	59.2	Low	59 Å²	59	68.7 Å²	68.7	28%	0.276	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-101.9	58.3	171.4	-60.6	-168.4	128.8	0	0	110	W309 W439 T454 R478	W309-E456 WeakPolarHBondContact CH2-OE2 3.46Å; W309-E456 WeakPolarHBondContact CZ3-OE2 3.24Å; W439-E456 HydrophobicContact CB-CB 4.1Å; W439-E456 VanDerWaalsContact CB-OE2 3.28Å; W439-E456 WeakPolarHBondContact CB-OE2 3.5Å; W439-E456 HydrophobicContact CE3-CB 4.06Å; T454-E456 VanDerWaalsContact C-N 3.34Å; E456-R478 VanDerWaalsContact CD-NH1 3.26Å; E456-R478 IonicContact OE1-CZ 3.52Å; E456-R478 IonicContact OE1-NH1 2.71Å; E456-R478 PolarHBondContact OE1-NH1 3.18Å; E456-R478 IonicContact OE1-NH2 3.42Å; E456-R478 PolarHBondContact OE1-NH2 3.32Å; E456-R478 IonicContact OE2-CZ 3.42Å; E456-R478 IonicContact OE2-NH1 3.36Å; E456-R478 PolarHBondContact OE2-NH1 2.69Å; E456-R478 IonicContact OE2-NH2 2.69Å; E456-R478 PolarHBondContact OE2-NH2 2.94Å
457	R	57.8	Low	61.1	Low	156 Å²	156	66.1 Å²	66.1	59%	0.589	38%	0.378	S	S	*	.			trans	-70.3	126	175.9	-120.1	175.6	-173.3	157.8	1.1	111	D438 T454 L455 T459	D438-R457 WeakPolarHBondContact OD1-CA 3.35Å; D438-R457 VanDerWaalsContact OD2-CG 3.27Å; D438-R457 WeakPolarHBondContact OD2-CG 3.31Å; T454-R457 HydrophobicContact CG2-CG 4.26Å; T454-R457 WeakPolarHBondContact O-CB 3.44Å; T454-R457 PolarHBondContact O-N 3.22Å; L455-R457 PolarHBondContact O-N 2.84Å; R457-T459 PolarHBondContact O-N 2.96Å; R457-T459 VanDerWaalsContact O-N 3.15Å
458	N	61.7	Low	63.2	Low	60 Å²	60	58.9 Å²	58.9	32%	0.321	34%	0.339	S	S	.	.			trans	-84.7	88.2	169.7	179.9	39.9	0	0	0	111.3	R312 D438 W439 G460	R312-N458 VanDerWaalsContact NH2-CG 3.27Å; R312-N458 PolarHBondContact NH2-ND2 2.8Å; D438-N458 PolarHBondContact OD1-N 3.33Å; D438-N458 VanDerWaalsContact OD1-N 3.07Å; W439-N458 HydrophobicContact CZ3-CB 4.47Å; N458-G460 VanDerWaalsContact C-N 3.27Å; N458-G460 PolarHBondContact O-N 3.34Å; N458-G460 PolarHBondContact OD1-N 3.14Å
459	T	55.9	Low	65.3	Low	117 Å²	117	57.1 Å²	57.1	72%	0.718	33%	0.331	S	S	*	.			trans	-67.8	-24.3	174.8	52.4	0	0	0	0	113.3	R457 G461	R457-T459 PolarHBondContact O-N 2.96Å; R457-T459 VanDerWaalsContact O-N 3.15Å; T459-G461 PolarHBondContact O-N 3.03Å
460	G	52.3	Low	67.5	Low	51 Å²	51	56.7 Å²	56.7	53%	0.526	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	35.6	-179.4	0	0	0	0	0	115.9	N458	N458-G460 VanDerWaalsContact C-N 3.27Å; N458-G460 PolarHBondContact O-N 3.34Å; N458-G460 PolarHBondContact OD1-N 3.14Å
461	G	54.8	Low	69.7	Low	15 Å²	15	53.6 Å²	53.6	16%	0.155	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-5.2	-175	0	0	0	0	0	115.9	R398 T459 G463	R398-G461 PolarHBondContact NH1-O 3.36Å; R398-G461 PolarHBondContact NH2-O 3.23Å; T459-G461 PolarHBondContact O-N 3.03Å; G461-G463 PolarHBondContact O-N 3.13Å
462	T	58.1	Low	72.1	Confident	132 Å²	132	53.8 Å²	53.8	81%	0.81	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	110.7	175.2	49	0	0	0	0	110.1
463	G	63.5	Low	74.3	Confident	20 Å²	20	50.6 Å²	50.6	21%	0.206	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	104.1	-20.3	180	0	0	0	0	0	115.8	S404 G461	S404-G463 PolarHBondContact OG-O 2.94Å; G461-G463 PolarHBondContact O-N 3.13Å
464	K	81.6	Confident	76.4	Confident	53 Å²	53	49 Å²	49	23%	0.23	30%	0.295	C	S	.	.			trans	-86.3	133.9	-170.2	-173.5	166.1	-177	162.9	0	113.2	R398 V466 W467 D480	R398-K464 PolarHBondContact NH1-O 3Å; K464-V466 WeakPolarHBondContact CE-O 3.22Å; K464-V466 WeakPolarHBondContact CG-O 3.5Å; K464-W467 HydrophobicContact CB-CH2 4.5Å; K464-W467 HydrophobicContact CB-CZ2 4.06Å; K464-W467 HydrophobicContact CD-CZ2 4.24Å; K464-W467 HydrophobicContact CG-CD2 4.41Å; K464-W467 HydrophobicContact CG-CH2 4.4Å; K464-W467 HydrophobicContact CG-CZ2 3.92Å; K464-W467 WeakPolarHBondContact O-CH2 3.46Å; K464-D480 VanDerWaalsContact NZ-CG 3.32Å; K464-D480 IonicContact NZ-OD2 3.15Å; K464-D480 PolarHBondContact NZ-OD2 2.88Å
465	S	87.5	Confident	78.5	Confident	9 Å²	9	49.5 Å²	49.5	6%	0.063	30%	0.298	C	S	.	.			trans	-121.9	3.8	-179.9	65.3	0	0	0	0	115	T416 T431 G432	T416-S465 WeakPolarHBondContact O-CB 3.32Å; T416-S465 PolarHBondContact OG1-OG 3.38Å; T416-S465 VanDerWaalsContact OG1-OG 3.05Å; T431-S465 CarbonylContact C-O 3.5Å; T431-S465 WeakPolarHBondContact CA-O 3.06Å; G432-S465 PolarHBondContact N-O 3.28Å
466	V	92.6	Very high	80.6	Confident	7 Å²	7	49.5 Å²	49.5	4%	0.042	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	138.2	-180	-175.7	0	0	0	0	110.1	T416 L429 L430 T431 K464 V489	T416-V466 HydrophobicContact CG2-CG2 3.59Å; L429-V466 HydrophobicContact CD1-CG1 3.93Å; L430-V466 WeakPolarHBondContact O-CA 3.39Å; T431-V466 HydrophobicContact CG2-CG2 4.41Å; K464-V466 WeakPolarHBondContact CE-O 3.22Å; K464-V466 WeakPolarHBondContact CG-O 3.5Å; V466-V489 HydrophobicContact CG1-CG1 3.97Å
467	W	95.3	Very high	82.5	Confident	9 Å²	9	46.7 Å²	46.7	3%	0.034	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	149.9	170.2	-59.7	-105.8	0	0	0	110.5	W319 L429 L430 P434 K464 F469 D480	W319-W467 AromaticContact CH2-CD1 3.95Å; W319-W467 HydrophobicContact CH2-CD2 4.12Å; W319-W467 HydrophobicContact CH2-CG 4.08Å; W319-W467 AromaticContact CH2-NE1 3.92Å; L429-W467 WeakPolarHBondContact CA-O 3.39Å; L429-W467 WeakPolarHBondContact CD1-O 3.15Å; L430-W467 HydrophobicContact CB-CE3 4.43Å; L430-W467 HydrophobicContact CD1-CB 4.27Å; L430-W467 PolarHBondContact N-O 3.11Å; L430-W467 PolarHBondContact O-N 3.08Å; P434-W467 VanDerWaalsContact CD-CZ3 3.43Å; P434-W467 HydrophobicContact CG-CD2 4.42Å; P434-W467 HydrophobicContact CG-CE3 3.7Å; P434-W467 HydrophobicContact CG-CH2 4.06Å; P434-W467 HydrophobicContact CG-CZ3 3.51Å; K464-W467 HydrophobicContact CB-CH2 4.5Å; K464-W467 HydrophobicContact CB-CZ2 4.06Å; K464-W467 HydrophobicContact CD-CZ2 4.24Å; K464-W467 HydrophobicContact CG-CD2 4.41Å; K464-W467 HydrophobicContact CG-CH2 4.4Å; K464-W467 HydrophobicContact CG-CZ2 3.92Å; K464-W467 WeakPolarHBondContact O-CH2 3.46Å; W467-F469 HydrophobicContact CB-CE2 3.63Å; W467-F469 HydrophobicContact CB-CZ 4.12Å; W467-F469 HydrophobicContact CG-CE2 4.36Å; W467-D480 VanDerWaalsContact CA-OD1 3.24Å; W467-D480 WeakPolarHBondContact CA-OD1 3.45Å
468	L	97.6	Very high	84.2	Confident	0 Å²	0	44 Å²	44	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	129.9	177.2	179.4	75.1	0	0	0	110.4	W427 K428 L429 D480 L481 A482 R485 V488 V489 L492	W427-L468 HydrophobicContact CB-CD1 4.44Å; W427-L468 HydrophobicContact CE3-CD1 4.02Å; W427-L468 HydrophobicContact CE3-CD2 3.92Å; W427-L468 HydrophobicContact CE3-CG 3.9Å; W427-L468 HydrophobicContact CZ3-CD2 3.96Å; W427-L468 HydrophobicContact CZ3-CG 4.25Å; K428-L468 CarbonylContact O-C 3.59Å; K428-L468 WeakPolarHBondContact O-CA 3.24Å; L429-L468 HydrophobicContact CB-CD1 4.48Å; L429-L468 HydrophobicContact CD1-CB 4.23Å; L429-L468 HydrophobicContact CD1-CD1 4Å; L468-D480 PolarHBondContact N-OD1 2.86Å; L468-L481 HydrophobicContact CD2-CB 4.32Å; L468-L481 PolarHBondContact O-N 2.94Å; L468-A482 HydrophobicContact CB-CB 3.97Å; L468-R485 HydrophobicContact CD2-CB 3.73Å; L468-V488 HydrophobicContact CD1-CG1 3.77Å; L468-V488 HydrophobicContact CD2-CB 3.83Å; L468-V488 HydrophobicContact CD2-CG1 3.93Å; L468-V488 HydrophobicContact CG-CG1 4.49Å; L468-V489 HydrophobicContact CB-CG2 4.17Å; L468-V489 HydrophobicContact CD2-CG2 4.01Å; L468-L492 HydrophobicContact CD1-CD1 3.68Å
469	F	98.4	Very high	85.8	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	149.8	176.3	-56.9	-83.2	0	0	0	111.3	W319 W427 K428 L430 W467 I471 E477 S479 D480	W319-F469 AromaticContact CZ3-CE2 3.76Å; W319-F469 HydrophobicContact CZ3-CE2 3.76Å; W319-F469 HydrophobicContact CZ3-CZ 4.01Å; W427-F469 CarbonylContact C-O 3.37Å; W427-F469 WeakPolarHBondContact CA-O 3.43Å; K428-F469 PolarHBondContact N-O 3.21Å; K428-F469 PolarHBondContact O-N 2.8Å; L430-F469 HydrophobicContact CD1-CD2 3.83Å; L430-F469 HydrophobicContact CD1-CE2 3.81Å; W467-F469 HydrophobicContact CB-CE2 3.63Å; W467-F469 HydrophobicContact CB-CZ 4.12Å; W467-F469 HydrophobicContact CG-CE2 4.36Å; F469-I471 HydrophobicContact CB-CD1 3.73Å; F469-I471 HydrophobicContact CB-CG1 4.43Å; F469-E477 HydrophobicContact CB-CG 4.35Å; F469-E477 VanDerWaalsContact CD1-CA 3.47Å; F469-E477 HydrophobicContact CD1-CB 3.88Å; F469-E477 HydrophobicContact CD1-CG 4.34Å; F469-E477 HydrophobicContact CD2-CB 4.02Å; F469-E477 HydrophobicContact CD2-CG 3.86Å; F469-E477 HydrophobicContact CE1-CB 3.87Å; F469-E477 WeakPolarHBondContact CE1-O 3.36Å; F469-E477 HydrophobicContact CE2-CB 4.03Å; F469-E477 HydrophobicContact CE2-CG 4.26Å; F469-E477 HydrophobicContact CG-CB 3.95Å; F469-E477 HydrophobicContact CG-CG 3.91Å; F469-E477 HydrophobicContact CZ-CB 3.95Å; F469-S479 VanDerWaalsContact CD1-O 3.3Å; F469-S479 WeakPolarHBondContact CD1-O 3.48Å; F469-D480 HydrophobicContact CE1-CB 3.94Å; F469-D480 HydrophobicContact CZ-CB 4.13Å
470	N	98.3	Very high	87.6	Confident	48 Å²	48	40.7 Å²	40.7	26%	0.257	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	93.4	163.4	173.9	-10.9	0	0	0	107.7	D426 W427 T472 G473 D474 L481	D426-N470 CarbonylContact O-C 3.57Å; D426-N470 WeakPolarHBondContact O-CA 3.44Å; W427-N470 HydrophobicContact CE3-CB 4.21Å; W427-N470 HydrophobicContact CH2-CB 4.24Å; W427-N470 HydrophobicContact CZ3-CB 4.03Å; N470-T472 PolarHBondContact O-N 3.19Å; N470-T472 PolarHBondContact OD1-N 2.69Å; N470-G473 PolarHBondContact O-N 3.34Å; N470-G473 PolarHBondContact OD1-N 2.65Å; N470-G473 VanDerWaalsContact OD1-N 3.14Å; N470-D474 CarbonylContact O-C 3.52Å; N470-D474 WeakPolarHBondContact O-CA 3.02Å; N470-D474 PolarHBondContact O-N 2.88Å; N470-L481 HydrophobicContact CB-CD1 4.28Å
471	I	97.9	Very high	89.7	Confident	4 Å²	4	40.5 Å²	40.5	2%	0.021	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-16.8	-173.9	-59.2	-60.4	0	0	0	113.1	E320 D426 K428 F469 D474 P475 E477	E320-I471 HydrophobicContact CG-CD1 4.1Å; E320-I471 WeakPolarHBondContact OE2-CG2 3.24Å; D426-I471 PolarHBondContact O-N 3.12Å; K428-I471 HydrophobicContact CB-CD1 4.01Å; K428-I471 HydrophobicContact CB-CG1 3.42Å; K428-I471 VanDerWaalsContact CB-CG1 3.42Å; K428-I471 HydrophobicContact CD-CD1 3.88Å; K428-I471 HydrophobicContact CD-CG1 3.91Å; K428-I471 HydrophobicContact CG-CG1 4.33Å; F469-I471 HydrophobicContact CB-CD1 3.73Å; F469-I471 HydrophobicContact CB-CG1 4.43Å; I471-D474 WeakPolarHBondContact CA-O 3.37Å; I471-P475 VanDerWaalsContact O-CA 3.29Å; I471-P475 WeakPolarHBondContact O-CA 3.21Å; I471-P475 WeakPolarHBondContact O-CB 3.31Å; I471-E477 HydrophobicContact CD1-CG 3.59Å
472	T	95.1	Very high	91.5	Very high	84 Å²	84	40.2 Å²	40.2	52%	0.515	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-33.6	176.1	-61.5	0	0	0	0	111.9	R423 D426 N470	R423-T472 PolarHBondContact NH2-OG1 3.27Å; D426-T472 WeakPolarHBondContact OD1-CB 3.28Å; D426-T472 WeakPolarHBondContact OD1-CG2 3.17Å; D426-T472 PolarHBondContact OD1-OG1 2.74Å; N470-T472 PolarHBondContact O-N 3.19Å; N470-T472 PolarHBondContact OD1-N 2.69Å
473	G	96.6	Very high	93.1	Very high	65 Å²	65	39.8 Å²	39.8	67%	0.67	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-34.3	173.5	0	0	0	0	0	114.5	N470 P475	N470-G473 PolarHBondContact O-N 3.34Å; N470-G473 PolarHBondContact OD1-N 2.65Å; N470-G473 VanDerWaalsContact OD1-N 3.14Å; G473-P475 VanDerWaalsContact C-CD 3.5Å; G473-P475 WeakPolarHBondContact O-CD 3.23Å
474	D	97.5	Very high	94.6	Very high	23 Å²	23	44.9 Å²	44.9	12%	0.123	25%	0.246	C	C	.	.			trans	-122.7	75.5	177.5	174.6	21.2	0	0	0	109.8	N470 I471 Y476 E477 R478 S479	N470-D474 CarbonylContact O-C 3.52Å; N470-D474 WeakPolarHBondContact O-CA 3.02Å; N470-D474 PolarHBondContact O-N 2.88Å; I471-D474 WeakPolarHBondContact CA-O 3.37Å; D474-Y476 PolarHBondContact O-N 2.96Å; D474-Y476 PolarHBondContact OD1-N 3.2Å; D474-E477 PolarHBondContact O-N 3.1Å; D474-E477 PolarHBondContact OD1-N 3.28Å; D474-E477 WeakPolarHBondContact OD2-CA 3.4Å; D474-R478 VanDerWaalsContact CG-N 3.3Å; D474-R478 PolarHBondContact OD1-N 3.13Å; D474-R478 PolarHBondContact OD2-N 2.84Å; D474-S479 PolarHBondContact OD2-N 3.1Å
475	P	96.8	Very high	95.3	Very high	30 Å²	30	46.2 Å²	46.2	20%	0.195	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	0.5	177.5	29.8	-36.7	0	0	0	113.6	I471 G473	I471-P475 VanDerWaalsContact O-CA 3.29Å; I471-P475 WeakPolarHBondContact O-CA 3.21Å; I471-P475 WeakPolarHBondContact O-CB 3.31Å; G473-P475 VanDerWaalsContact C-CD 3.5Å; G473-P475 WeakPolarHBondContact O-CD 3.23Å
476	Y	96.5	Very high	95.6	Very high	97 Å²	97	49.7 Å²	49.7	38%	0.38	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	2.7	-174.6	-50.5	-35	0	0	0	112.7	P310 L311 W439 D474 R478	P310-Y476 HydrophobicContact CB-CD1 4.3Å; P310-Y476 HydrophobicContact CB-CE1 4.22Å; P310-Y476 HydrophobicContact CB-CE2 4.46Å; P310-Y476 HydrophobicContact CG-CD1 4Å; P310-Y476 HydrophobicContact CG-CE1 3.46Å; P310-Y476 VanDerWaalsContact CG-CE1 3.46Å; P310-Y476 HydrophobicContact CG-CE2 4.14Å; L311-Y476 HydrophobicContact CD2-CD1 3.93Å; L311-Y476 HydrophobicContact CD2-CE1 4.12Å; W439-Y476 VanDerWaalsContact CE2-O 3.3Å; W439-Y476 VanDerWaalsContact CZ2-O 3.26Å; W439-Y476 WeakPolarHBondContact CZ2-O 3.28Å; W439-Y476 PolarHBondContact NE1-O 2.86Å; D474-Y476 PolarHBondContact O-N 2.96Å; D474-Y476 PolarHBondContact OD1-N 3.2Å; Y476-R478 VanDerWaalsContact C-N 3.28Å; Y476-R478 PolarHBondContact O-N 2.8Å
477	E	97	Very high	95.8	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.288	C	S	.	.			trans	56	38.3	177.6	-61.6	170.5	130.8	0	0	113.2	R312 W319 E320 K428 W439 F469 I471 D474	R312-E477 HydrophobicContact CB-CB 4.33Å; R312-E477 PolarHBondContact NH1-O 2.74Å; W319-E477 VanDerWaalsContact CA-OE2 3.26Å; W319-E477 WeakPolarHBondContact CA-OE2 3.48Å; W319-E477 WeakPolarHBondContact CB-OE2 3.2Å; W319-E477 HydrophobicContact CE3-CB 4.48Å; E320-E477 HydrophobicContact CG-CG 3.95Å; E320-E477 PolarHBondContact N-OE2 2.82Å; K428-E477 WeakPolarHBondContact CD-OE1 3.4Å; K428-E477 WeakPolarHBondContact CE-OE1 3.3Å; K428-E477 IonicContact NZ-OE1 3.82Å; K428-E477 PolarHBondContact NZ-OE1 3.27Å; W439-E477 VanDerWaalsContact CZ2-O 3.31Å; W439-E477 WeakPolarHBondContact CZ2-O 3.32Å; F469-E477 HydrophobicContact CB-CG 4.35Å; F469-E477 VanDerWaalsContact CD1-CA 3.47Å; F469-E477 HydrophobicContact CD1-CB 3.88Å; F469-E477 HydrophobicContact CD1-CG 4.34Å; F469-E477 HydrophobicContact CD2-CB 4.02Å; F469-E477 HydrophobicContact CD2-CG 3.86Å; F469-E477 HydrophobicContact CE1-CB 3.87Å; F469-E477 WeakPolarHBondContact CE1-O 3.36Å; F469-E477 HydrophobicContact CE2-CB 4.03Å; F469-E477 HydrophobicContact CE2-CG 4.26Å; F469-E477 HydrophobicContact CG-CB 3.95Å; F469-E477 HydrophobicContact CG-CG 3.91Å; F469-E477 HydrophobicContact CZ-CB 3.95Å; I471-E477 HydrophobicContact CD1-CG 3.59Å; D474-E477 PolarHBondContact O-N 3.1Å; D474-E477 PolarHBondContact OD1-N 3.28Å; D474-E477 WeakPolarHBondContact OD2-CA 3.4Å
478	R	94.3	Very high	95.8	Very high	101 Å²	101	52.9 Å²	52.9	38%	0.381	29%	0.289	S	S	.	.			trans	-78.8	-38.7	-178.8	-66.7	-79	169.8	155.4	-7	112.8	W439 E456 D474 Y476	W439-R478 VanDerWaalsContact CD1-NH2 3.32Å; W439-R478 VanDerWaalsContact CE2-NE 3.32Å; W439-R478 HydrophobicContact CZ2-CG 4.03Å; E456-R478 VanDerWaalsContact CD-NH1 3.26Å; E456-R478 IonicContact OE1-CZ 3.52Å; E456-R478 IonicContact OE1-NH1 2.71Å; E456-R478 PolarHBondContact OE1-NH1 3.18Å; E456-R478 IonicContact OE1-NH2 3.42Å; E456-R478 PolarHBondContact OE1-NH2 3.32Å; E456-R478 IonicContact OE2-CZ 3.42Å; E456-R478 IonicContact OE2-NH1 3.36Å; E456-R478 PolarHBondContact OE2-NH1 2.69Å; E456-R478 IonicContact OE2-NH2 2.69Å; E456-R478 PolarHBondContact OE2-NH2 2.94Å; D474-R478 VanDerWaalsContact CG-N 3.3Å; D474-R478 PolarHBondContact OD1-N 3.13Å; D474-R478 PolarHBondContact OD2-N 2.84Å; Y476-R478 VanDerWaalsContact C-N 3.28Å; Y476-R478 PolarHBondContact O-N 2.8Å
479	S	94.8	Very high	95.8	Very high	73 Å²	73	53.2 Å²	53.2	51%	0.51	29%	0.292	S	S	.	.	S	Bend	trans	-114.7	95.7	-170.7	-67.6	0	0	0	0	110.4	F469 D474 L481	F469-S479 VanDerWaalsContact CD1-O 3.3Å; F469-S479 WeakPolarHBondContact CD1-O 3.48Å; D474-S479 PolarHBondContact OD2-N 3.1Å; S479-L481 PolarHBondContact O-N 2.85Å
480	D	94.2	Very high	95.6	Very high	34 Å²	34	57.2 Å²	57.2	18%	0.182	31%	0.309	C	S	.	.			trans	-69.8	128.6	173.4	173.7	67.4	0	0	0	111.1	K464 W467 L468 F469 A482 Q484	K464-D480 VanDerWaalsContact NZ-CG 3.32Å; K464-D480 IonicContact NZ-OD2 3.15Å; K464-D480 PolarHBondContact NZ-OD2 2.88Å; W467-D480 VanDerWaalsContact CA-OD1 3.24Å; W467-D480 WeakPolarHBondContact CA-OD1 3.45Å; L468-D480 PolarHBondContact N-OD1 2.86Å; F469-D480 HydrophobicContact CE1-CB 3.94Å; F469-D480 HydrophobicContact CZ-CB 4.13Å; D480-A482 WeakPolarHBondContact OD1-CB 3.44Å; D480-A482 PolarHBondContact OD1-N 3.43Å; D480-Q484 PolarHBondContact O-OE1 3.13Å
481	L	95.8	Very high	95.6	Very high	46 Å²	46	57.3 Å²	57.3	24%	0.241	31%	0.308	C	S	.	.			trans	-110.8	8.9	-176	-62.4	176	0	0	0	112.8	W427 L468 N470 S479 L483 Q484 R485	W427-L481 HydrophobicContact CH2-CD1 4.02Å; W427-L481 HydrophobicContact CZ3-CB 4.34Å; W427-L481 HydrophobicContact CZ3-CD1 3.68Å; L468-L481 HydrophobicContact CD2-CB 4.32Å; L468-L481 PolarHBondContact O-N 2.94Å; N470-L481 HydrophobicContact CB-CD1 4.28Å; S479-L481 PolarHBondContact O-N 2.85Å; L481-L483 VanDerWaalsContact C-N 3.29Å; L481-L483 PolarHBondContact O-N 2.92Å; L481-Q484 VanDerWaalsContact CA-OE1 3.28Å; L481-Q484 PolarHBondContact O-N 3.07Å; L481-Q484 PolarHBondContact O-OE1 2.81Å; L481-R485 PolarHBondContact O-N 3.36Å
482	A	93.1	Very high	95.6	Very high	9 Å²	9	57.3 Å²	57.3	7%	0.074	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-33.6	-171.7	0	0	0	0	0	113.5	L468 D480 V489	L468-A482 HydrophobicContact CB-CB 3.97Å; D480-A482 WeakPolarHBondContact OD1-CB 3.44Å; D480-A482 PolarHBondContact OD1-N 3.43Å; A482-V489 HydrophobicContact CB-CG2 4.07Å
483	L	91.3	Very high	95.7	Very high	124 Å²	124	53.3 Å²	53.3	65%	0.649	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-33.3	177.7	-66	178.3	0	0	0	112.7	L481	L481-L483 VanDerWaalsContact C-N 3.29Å; L481-L483 PolarHBondContact O-N 2.92Å
484	Q	95.4	Very high	95.7	Very high	126 Å²	126	51.3 Å²	51.3	59%	0.589	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-25.2	179.6	-58.4	84.1	-12	0	0	112.3	D480 L481 P486	D480-Q484 PolarHBondContact O-OE1 3.13Å; L481-Q484 VanDerWaalsContact CA-OE1 3.28Å; L481-Q484 PolarHBondContact O-N 3.07Å; L481-Q484 PolarHBondContact O-OE1 2.81Å; Q484-P486 WeakPolarHBondContact O-CD 3.44Å
485	R	95.9	Very high	95.7	Very high	82 Å²	82	51.7 Å²	51.7	31%	0.309	26%	0.26	S	S	.	.			trans	-124.4	57.3	-177.8	-63	-57.4	-55.4	-90.7	1.8	113.5	W427 L468 L481 D487 V488 V489	W427-R485 HydrophobicContact CH2-CG 4.2Å; W427-R485 HydrophobicContact CZ3-CG 4.46Å; L468-R485 HydrophobicContact CD2-CB 3.73Å; L481-R485 PolarHBondContact O-N 3.36Å; R485-D487 WeakPolarHBondContact CA-OD1 3.46Å; R485-D487 IonicContact CZ-OD1 3.62Å; R485-D487 IonicContact CZ-OD2 3.57Å; R485-D487 IonicContact NE-OD1 2.84Å; R485-D487 PolarHBondContact NE-OD1 2.77Å; R485-D487 IonicContact NE-OD2 3.56Å; R485-D487 IonicContact NH2-OD1 3.29Å; R485-D487 IonicContact NH2-OD2 2.75Å; R485-D487 PolarHBondContact NH2-OD2 2.73Å; R485-D487 PolarHBondContact O-N 3.05Å; R485-V488 HydrophobicContact CB-CB 4.2Å; R485-V488 HydrophobicContact CB-CG2 4.04Å; R485-V488 VanDerWaalsContact NH2-CG2 3.32Å; R485-V488 PolarHBondContact O-N 2.82Å; R485-V489 PolarHBondContact O-N 2.96Å; R485-V489 VanDerWaalsContact O-N 3.08Å
486	P	94.4	Very high	95.8	Very high	82 Å²	82	50.3 Å²	50.3	53%	0.532	25%	0.251	S	S	.	.	H	α-helix	trans	-62.8	-22.8	177	28.8	-35.8	0	0	0	112.5	Q484 K490	Q484-P486 WeakPolarHBondContact O-CD 3.44Å; P486-K490 WeakPolarHBondContact O-CB 3.35Å; P486-K490 PolarHBondContact O-N 2.91Å
487	D	95.3	Very high	95.8	Very high	71 Å²	71	46.5 Å²	46.5	38%	0.38	24%	0.24	S	C	.	.	H	α-helix	trans	-63.4	-40.2	172.4	69.7	-56.9	0	0	0	112.4	R485 Q491	R485-D487 WeakPolarHBondContact CA-OD1 3.46Å; R485-D487 IonicContact CZ-OD1 3.62Å; R485-D487 IonicContact CZ-OD2 3.57Å; R485-D487 IonicContact NE-OD1 2.84Å; R485-D487 PolarHBondContact NE-OD1 2.77Å; R485-D487 IonicContact NE-OD2 3.56Å; R485-D487 IonicContact NH2-OD1 3.29Å; R485-D487 IonicContact NH2-OD2 2.75Å; R485-D487 PolarHBondContact NH2-OD2 2.73Å; R485-D487 PolarHBondContact O-N 3.05Å; D487-Q491 WeakPolarHBondContact O-CG 3.37Å; D487-Q491 PolarHBondContact O-N 3.43Å; D487-Q491 PolarHBondContact O-NE2 3.2Å
488	V	96.9	Very high	95.8	Very high	11 Å²	11	51 Å²	51	7%	0.067	26%	0.257	C	S	.	.	H	α-helix	trans	-75.5	-43.6	175.9	-177.4	0	0	0	0	109.9	W427 L468 R485 K490 Q491 L492	W427-V488 HydrophobicContact CB-CG1 4.11Å; W427-V488 HydrophobicContact CD2-CG1 3.89Å; W427-V488 HydrophobicContact CD2-CG2 4.5Å; W427-V488 HydrophobicContact CE3-CG1 4.11Å; W427-V488 HydrophobicContact CG-CG1 3.87Å; L468-V488 HydrophobicContact CD1-CG1 3.77Å; L468-V488 HydrophobicContact CD2-CB 3.83Å; L468-V488 HydrophobicContact CD2-CG1 3.93Å; L468-V488 HydrophobicContact CG-CG1 4.49Å; R485-V488 HydrophobicContact CB-CB 4.2Å; R485-V488 HydrophobicContact CB-CG2 4.04Å; R485-V488 VanDerWaalsContact NH2-CG2 3.32Å; R485-V488 PolarHBondContact O-N 2.82Å; V488-K490 VanDerWaalsContact C-N 3.34Å; V488-K490 PolarHBondContact O-N 3.39Å; V488-Q491 WeakPolarHBondContact O-CB 3.5Å; V488-Q491 PolarHBondContact O-N 3.04Å; V488-Q491 VanDerWaalsContact O-N 3.1Å; V488-L492 HydrophobicContact CG1-CD1 3.89Å; V488-L492 HydrophobicContact CG1-CG 4.1Å; V488-L492 WeakPolarHBondContact O-CG 3.4Å; V488-L492 PolarHBondContact O-N 2.72Å
489	V	96.4	Very high	96	Very high	8 Å²	8	47.1 Å²	47.1	5%	0.048	24%	0.243	C	C	.	.	H	α-helix	trans	-53.2	-50.6	175.1	174	0	0	0	0	110.9	L429 V466 L468 A482 R485 Q491 L492 L493	L429-V489 HydrophobicContact CD1-CB 4.36Å; L429-V489 HydrophobicContact CD1-CG1 4.21Å; L429-V489 HydrophobicContact CD1-CG2 4.08Å; V466-V489 HydrophobicContact CG1-CG1 3.97Å; L468-V489 HydrophobicContact CB-CG2 4.17Å; L468-V489 HydrophobicContact CD2-CG2 4.01Å; A482-V489 HydrophobicContact CB-CG2 4.07Å; R485-V489 PolarHBondContact O-N 2.96Å; R485-V489 VanDerWaalsContact O-N 3.08Å; V489-Q491 VanDerWaalsContact C-N 3.28Å; V489-Q491 PolarHBondContact O-N 3.36Å; V489-L492 PolarHBondContact O-N 2.84Å; V489-L493 HydrophobicContact CG1-CD1 3.62Å; V489-L493 HydrophobicContact CG1-CG 4.11Å; V489-L493 WeakPolarHBondContact O-CB 3.43Å; V489-L493 VanDerWaalsContact O-CG 3.24Å; V489-L493 WeakPolarHBondContact O-CG 3.46Å; V489-L493 PolarHBondContact O-N 2.83Å
490	K	95.3	Very high	96.1	Very high	84 Å²	84	47.3 Å²	47.3	37%	0.365	24%	0.238	S	C	.	.	H	α-helix	trans	-60.4	-35.4	179.4	-167	172.4	-177.7	177.3	0	112.7	E409 L413 P486 V488 A494	E409-K490 IonicContact OE1-NZ 3.45Å; E409-K490 IonicContact OE2-NZ 3.71Å; E409-K490 PolarHBondContact OE2-NZ 3.2Å; L413-K490 HydrophobicContact CD1-CG 3.78Å; P486-K490 WeakPolarHBondContact O-CB 3.35Å; P486-K490 PolarHBondContact O-N 2.91Å; V488-K490 VanDerWaalsContact C-N 3.34Å; V488-K490 PolarHBondContact O-N 3.39Å; K490-A494 WeakPolarHBondContact O-CB 3.22Å; K490-A494 PolarHBondContact O-N 2.94Å
491	Q	96.5	Very high	96.3	Very high	49 Å²	49	53.1 Å²	53.1	23%	0.229	26%	0.257	C	S	.	.	H	α-helix	trans	-70	-45.3	175.3	-72.8	171.8	82.2	0	0	112.3	D487 V488 V489 A494 R495 L564	D487-Q491 WeakPolarHBondContact O-CG 3.37Å; D487-Q491 PolarHBondContact O-N 3.43Å; D487-Q491 PolarHBondContact O-NE2 3.2Å; V488-Q491 WeakPolarHBondContact O-CB 3.5Å; V488-Q491 PolarHBondContact O-N 3.04Å; V488-Q491 VanDerWaalsContact O-N 3.1Å; V489-Q491 VanDerWaalsContact C-N 3.28Å; V489-Q491 PolarHBondContact O-N 3.36Å; Q491-A494 WeakPolarHBondContact O-CB 3.33Å; Q491-A494 PolarHBondContact O-N 3.45Å; Q491-R495 PolarHBondContact O-N 2.76Å; Q491-R495 VanDerWaalsContact O-N 3.07Å; Q491-L564 HydrophobicContact CG-CD2 4.32Å
492	L	97.9	Very high	96.3	Very high	4 Å²	4	53.6 Å²	53.6	2%	0.021	26%	0.262	C	S	.	.	H	α-helix	trans	-73.8	-34.5	-177.1	-61.6	-171.6	0	0	0	112.6	I422 V424 W427 L429 L468 V488 V489 A494 R495 L496	I422-L492 HydrophobicContact CG2-CB 4.32Å; V424-L492 HydrophobicContact CB-CD2 3.71Å; V424-L492 HydrophobicContact CG2-CD2 3.38Å; W427-L492 HydrophobicContact CB-CD1 3.93Å; L429-L492 HydrophobicContact CB-CB 3.83Å; L429-L492 HydrophobicContact CB-CD1 3.79Å; L429-L492 HydrophobicContact CB-CG 4.47Å; L429-L492 HydrophobicContact CD1-CB 4.4Å; L429-L492 HydrophobicContact CD2-CB 3.85Å; L429-L492 HydrophobicContact CG-CB 4.24Å; L468-L492 HydrophobicContact CD1-CD1 3.68Å; V488-L492 HydrophobicContact CG1-CD1 3.89Å; V488-L492 HydrophobicContact CG1-CG 4.1Å; V488-L492 WeakPolarHBondContact O-CG 3.4Å; V488-L492 PolarHBondContact O-N 2.72Å; V489-L492 PolarHBondContact O-N 2.84Å; L492-A494 VanDerWaalsContact C-N 3.28Å; L492-A494 PolarHBondContact O-N 3.26Å; L492-R495 WeakPolarHBondContact O-CB 3.25Å; L492-R495 PolarHBondContact O-N 3.19Å; L492-R495 VanDerWaalsContact O-N 3.1Å; L492-L496 PolarHBondContact O-N 3.34Å
493	L	97.4	Very high	96.6	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59.8	-39	167.4	-67	171.9	0	0	0	111.3	A410 W414 T416 L429 T431 V489 R495 L496 A497	A410-L493 HydrophobicContact CB-CD1 3.9Å; W414-L493 HydrophobicContact CB-CB 4Å; W414-L493 HydrophobicContact CB-CD2 3.83Å; W414-L493 HydrophobicContact CB-CG 4.41Å; W414-L493 VanDerWaalsContact CD1-CD2 3.48Å; W414-L493 HydrophobicContact CG-CD2 3.84Å; T416-L493 HydrophobicContact CG2-CD2 4.17Å; L429-L493 HydrophobicContact CD2-CD2 3.66Å; L429-L493 HydrophobicContact CD2-CG 3.91Å; T431-L493 HydrophobicContact CG2-CD2 3.79Å; V489-L493 HydrophobicContact CG1-CD1 3.62Å; V489-L493 HydrophobicContact CG1-CG 4.11Å; V489-L493 WeakPolarHBondContact O-CB 3.43Å; V489-L493 VanDerWaalsContact O-CG 3.24Å; V489-L493 WeakPolarHBondContact O-CG 3.46Å; V489-L493 PolarHBondContact O-N 2.83Å; L493-R495 VanDerWaalsContact C-N 3.31Å; L493-R495 PolarHBondContact O-N 3.07Å; L493-L496 PolarHBondContact O-N 2.72Å; L493-A497 WeakPolarHBondContact O-CB 3.26Å; L493-A497 PolarHBondContact O-N 3.14Å
494	A	96.8	Very high	96.9	Very high	23 Å²	23	51.6 Å²	51.6	19%	0.19	26%	0.257	C	S	.	.	H	α-helix	trans	-69	-24.9	174.7	0	0	0	0	0	113.6	K490 Q491 L492 Y498	K490-A494 WeakPolarHBondContact O-CB 3.22Å; K490-A494 PolarHBondContact O-N 2.94Å; Q491-A494 WeakPolarHBondContact O-CB 3.33Å; Q491-A494 PolarHBondContact O-N 3.45Å; L492-A494 VanDerWaalsContact C-N 3.28Å; L492-A494 PolarHBondContact O-N 3.26Å; A494-Y498 PolarHBondContact O-N 3.33Å
495	R	98.1	Very high	97	Very high	32 Å²	32	50.9 Å²	50.9	12%	0.121	26%	0.264	C	S	.	.	H	α-helix	trans	-74.7	-42.3	169.5	-64.3	-57.2	-57.7	136.8	7.1	111.9	E387 I422 V424 Q491 L492 L493 A497 Y498 Y499	E387-R495 IonicContact OE1-CZ 3.54Å; E387-R495 IonicContact OE1-NE 3.61Å; E387-R495 PolarHBondContact OE1-NE 3.2Å; E387-R495 IonicContact OE1-NH2 2.71Å; E387-R495 PolarHBondContact OE1-NH2 3.45Å; E387-R495 IonicContact OE2-CZ 3.28Å; E387-R495 IonicContact OE2-NE 3.72Å; E387-R495 PolarHBondContact OE2-NE 2.82Å; E387-R495 IonicContact OE2-NH2 3.89Å; I422-R495 HydrophobicContact CD1-CB 3.41Å; I422-R495 VanDerWaalsContact CD1-CB 3.41Å; I422-R495 HydrophobicContact CD1-CG 4.34Å; V424-R495 HydrophobicContact CG2-CG 4.48Å; Q491-R495 PolarHBondContact O-N 2.76Å; Q491-R495 VanDerWaalsContact O-N 3.07Å; L492-R495 WeakPolarHBondContact O-CB 3.25Å; L492-R495 PolarHBondContact O-N 3.19Å; L492-R495 VanDerWaalsContact O-N 3.1Å; L493-R495 VanDerWaalsContact C-N 3.31Å; L493-R495 PolarHBondContact O-N 3.07Å; R495-A497 VanDerWaalsContact C-N 3.34Å; R495-A497 PolarHBondContact O-N 3.08Å; R495-Y498 VanDerWaalsContact NH1-CD1 3.26Å; R495-Y498 VanDerWaalsContact NH1-CG 3.29Å; R495-Y498 VanDerWaalsContact NH2-CD1 3.26Å; R495-Y498 WeakPolarHBondContact O-CA 3.18Å; R495-Y498 WeakPolarHBondContact O-CB 3.45Å; R495-Y498 PolarHBondContact O-N 3.27Å; R495-Y499 PolarHBondContact O-N 2.66Å
496	L	98.1	Very high	97.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-57.8	-46.5	170.3	-70.1	178.8	0	0	0	111.3	L389 I392 W414 A420 I422 L429 T431 L492 L493 Y498 Y499 N500	L389-L496 HydrophobicContact CD1-CD2 3.65Å; I392-L496 HydrophobicContact CD1-CD2 4.43Å; I392-L496 HydrophobicContact CG1-CD2 4.32Å; W414-L496 HydrophobicContact CD2-CB 3.82Å; W414-L496 HydrophobicContact CD2-CD1 4.32Å; W414-L496 HydrophobicContact CE3-CB 3.8Å; W414-L496 HydrophobicContact CH2-CB 4.06Å; W414-L496 HydrophobicContact CZ2-CB 4.07Å; W414-L496 HydrophobicContact CZ2-CD1 4.21Å; W414-L496 HydrophobicContact CZ3-CB 3.92Å; A420-L496 HydrophobicContact CB-CD1 4.01Å; A420-L496 HydrophobicContact CB-CD2 4.03Å; I422-L496 HydrophobicContact CB-CD2 3.79Å; I422-L496 HydrophobicContact CB-CG 4.4Å; I422-L496 HydrophobicContact CG2-CD1 4.46Å; I422-L496 HydrophobicContact CG2-CD2 3.82Å; I422-L496 HydrophobicContact CG2-CG 3.89Å; L429-L496 HydrophobicContact CD2-CD1 4Å; T431-L496 HydrophobicContact CG2-CD1 4.12Å; L492-L496 PolarHBondContact O-N 3.34Å; L493-L496 PolarHBondContact O-N 2.72Å; L496-Y498 PolarHBondContact O-N 2.95Å; L496-Y499 PolarHBondContact O-N 3.3Å; L496-N500 WeakPolarHBondContact O-CB 3.48Å; L496-N500 PolarHBondContact O-N 3.2Å
497	A	97.2	Very high	97.2	Very high	17 Å²	17	48.9 Å²	48.9	14%	0.14	25%	0.249	C	C	.	.	H	α-helix	trans	-64.3	-24	174.9	0	0	0	0	0	113.5	L413 W414 L493 R495 R501	L413-A497 VanDerWaalsContact O-CB 3.29Å; L413-A497 WeakPolarHBondContact O-CB 3.3Å; W414-A497 HydrophobicContact CE3-CB 4.12Å; L493-A497 WeakPolarHBondContact O-CB 3.26Å; L493-A497 PolarHBondContact O-N 3.14Å; R495-A497 VanDerWaalsContact C-N 3.34Å; R495-A497 PolarHBondContact O-N 3.08Å; A497-R501 PolarHBondContact O-NE 3.46Å; A497-R501 PolarHBondContact O-NH2 2.94Å
498	Y	97.6	Very high	97.3	Very high	95 Å²	95	48.8 Å²	48.8	37%	0.373	25%	0.246	S	C	.	.	H	α-helix	trans	-71.8	-52	168.6	169	-93.7	0	0	0	111.3	A494 R495 L496 N500 R501	A494-Y498 PolarHBondContact O-N 3.33Å; R495-Y498 VanDerWaalsContact NH1-CD1 3.26Å; R495-Y498 VanDerWaalsContact NH1-CG 3.29Å; R495-Y498 VanDerWaalsContact NH2-CD1 3.26Å; R495-Y498 WeakPolarHBondContact O-CA 3.18Å; R495-Y498 WeakPolarHBondContact O-CB 3.45Å; R495-Y498 PolarHBondContact O-N 3.27Å; L496-Y498 PolarHBondContact O-N 2.95Å; Y498-N500 PolarHBondContact O-N 3.29Å; Y498-R501 PolarHBondContact O-N 3.13Å
499	Y	98.3	Very high	97.3	Very high	20 Å²	20	49.3 Å²	49.3	8%	0.078	25%	0.249	C	C	.	.	H	α-helix	trans	-61.4	-41.8	-179.5	-85.2	-60.1	0	0	0	113.3	Y104 I106 E387 L389 I422 R495 L496 R501 T502 A503	Y104-Y499 HydrophobicContact CD2-CE1 4.21Å; Y104-Y499 AromaticContact CE2-CE1 3.81Å; Y104-Y499 HydrophobicContact CE2-CE1 3.81Å; Y104-Y499 AromaticContact CE2-CZ 3.96Å; I106-Y499 HydrophobicContact CD1-CD1 3.86Å; I106-Y499 HydrophobicContact CD1-CG 4.34Å; E387-Y499 HydrophobicContact CG-CE2 4.24Å; E387-Y499 WeakPolarHBondContact OE1-CE2 3.26Å; E387-Y499 PolarHBondContact OE1-OH 3.12Å; L389-Y499 HydrophobicContact CB-CD2 3.96Å; L389-Y499 HydrophobicContact CB-CE1 4.48Å; L389-Y499 HydrophobicContact CB-CE2 3.79Å; L389-Y499 HydrophobicContact CB-CG 4.34Å; L389-Y499 HydrophobicContact CD1-CD2 3.82Å; L389-Y499 HydrophobicContact CD1-CE2 4.41Å; L389-Y499 HydrophobicContact CD1-CG 4.23Å; L389-Y499 HydrophobicContact CD2-CD1 4.2Å; L389-Y499 HydrophobicContact CD2-CD2 4.23Å; L389-Y499 HydrophobicContact CD2-CG 3.89Å; L389-Y499 HydrophobicContact CG-CD2 4.23Å; L389-Y499 HydrophobicContact CG-CG 4.39Å; I422-Y499 HydrophobicContact CD1-CD2 4.07Å; I422-Y499 HydrophobicContact CD1-CE2 3.96Å; R495-Y499 PolarHBondContact O-N 2.66Å; L496-Y499 PolarHBondContact O-N 3.3Å; Y499-R501 PolarHBondContact O-N 3.06Å; Y499-T502 WeakPolarHBondContact O-CA 3.31Å; Y499-T502 WeakPolarHBondContact O-CB 2.97Å; Y499-T502 PolarHBondContact O-N 2.89Å; Y499-T502 PolarHBondContact O-OG1 3.37Å; Y499-A503 PolarHBondContact O-N 2.62Å
500	N	97.5	Very high	97.3	Very high	76 Å²	76	54.5 Å²	54.5	41%	0.406	28%	0.281	S	S	.	.	H	α-helix	trans	-62	-27.4	178.5	-164.5	27.8	0	0	0	113.1	I392 W414 L496 Y498 T502 A503	I392-N500 HydrophobicContact CD1-CB 4.1Å; W414-N500 HydrophobicContact CH2-CB 3.97Å; W414-N500 HydrophobicContact CZ3-CB 3.59Å; L496-N500 WeakPolarHBondContact O-CB 3.48Å; L496-N500 PolarHBondContact O-N 3.2Å; Y498-N500 PolarHBondContact O-N 3.29Å; N500-T502 PolarHBondContact O-N 3.05Å; N500-A503 WeakPolarHBondContact O-CB 3.3Å; N500-A503 PolarHBondContact O-N 2.92Å
501	R	96.9	Very high	97.3	Very high	157 Å²	157	53 Å²	53	59%	0.592	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-10.2	172.2	-75.8	176.5	-73	173.6	-6.5	113.9	A497 Y498 Y499	A497-R501 PolarHBondContact O-NE 3.46Å; A497-R501 PolarHBondContact O-NH2 2.94Å; Y498-R501 PolarHBondContact O-N 3.13Å; Y499-R501 PolarHBondContact O-N 3.06Å
502	T	97.1	Very high	97.3	Very high	56 Å²	56	51.5 Å²	51.5	34%	0.344	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-5.2	171.4	72.1	0	0	0	0	112.8	H107 Y499 N500	H107-T502 PolarHBondContact CD2-O 3.03Å; H107-T502 PolarHBondContact NE2-OG1 2.78Å; H107-T502 VanDerWaalsContact NE2-OG1 3.16Å; Y499-T502 WeakPolarHBondContact O-CA 3.31Å; Y499-T502 WeakPolarHBondContact O-CB 2.97Å; Y499-T502 PolarHBondContact O-N 2.89Å; Y499-T502 PolarHBondContact O-OG1 3.37Å; N500-T502 PolarHBondContact O-N 3.05Å
503	A	97.8	Very high	97.1	Very high	31 Å²	31	55.5 Å²	55.5	26%	0.256	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-75.4	138.6	-172.7	0	0	0	0	0	112.6	I106 Y499 N500	I106-A503 HydrophobicContact CB-CB 3.98Å; I106-A503 HydrophobicContact CG2-CB 4.46Å; I106-A503 CarbonylContact O-C 3.32Å; I106-A503 WeakPolarHBondContact O-CA 3.07Å; Y499-A503 PolarHBondContact O-N 2.62Å; N500-A503 WeakPolarHBondContact O-CB 3.3Å; N500-A503 PolarHBondContact O-N 2.92Å
504	V	97.8	Very high	97.1	Very high	59 Å²	59	59.7 Å²	59.7	36%	0.358	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-83.7	156.3	166	-52.9	0	0	0	0	110	I106 H107 G109 Q111	I106-V504 PolarHBondContact O-N 3.06Å; H107-V504 WeakPolarHBondContact O-CG2 3.46Å; G109-V504 VanDerWaalsContact N-CG2 3.35Å; Q111-V504 PolarHBondContact NE2-O 2.83Å
505	P	97.8	Very high	97	Very high	112 Å²	112	58.7 Å²	58.7	73%	0.727	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-57.4	145.7	176	-24.6	35.1	0	0	0	112.9	R507	P505-R507 PolarHBondContact O-N 3.04Å
506	V	97.9	Very high	97	Very high	36 Å²	36	58.7 Å²	58.7	22%	0.218	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-63.8	127.9	176.6	-172.8	0	0	0	0	110.2	Q111 H112 P394 L395 F508	Q111-V506 HydrophobicContact CB-CG2 4.26Å; H112-V506 HydrophobicContact CB-CG1 3.63Å; P394-V506 HydrophobicContact CG-CG2 3.58Å; L395-V506 HydrophobicContact CD1-CB 4.29Å; L395-V506 HydrophobicContact CD1-CG1 3.84Å; L395-V506 HydrophobicContact CG-CG1 4.43Å; L395-V506 HydrophobicContact CG-CG2 4.42Å; V506-F508 HydrophobicContact CG1-CB 4.2Å
507	R	97.5	Very high	96.9	Very high	85 Å²	85	58.7 Å²	58.7	32%	0.321	31%	0.307	S	S	.	.			trans	-100.2	84.8	176.3	-66.8	172.8	62	-122.7	1.3	109	G109 N121 C122 P505	G109-R507 WeakPolarHBondContact O-CB 3.41Å; G109-R507 PolarHBondContact O-N 3.22Å; N121-R507 PolarHBondContact ND2-O 3.39Å; N121-R507 VanDerWaalsContact OD1-CZ 3.22Å; N121-R507 PolarHBondContact OD1-NH1 2.83Å; N121-R507 PolarHBondContact OD1-NH2 2.99Å; C122-R507 PolarHBondContact O-NH1 2.84Å; C122-R507 PolarHBondContact O-NH2 3.48Å; C122-R507 VanDerWaalsContact O-NH2 3.1Å; P505-R507 PolarHBondContact O-N 3.04Å
508	F	96.9	Very high	96.8	Very high	69 Å²	69	63.5 Å²	63.5	30%	0.303	33%	0.331	S	S	.	.			trans	-128.9	78.2	175.8	-163.2	-102.1	0	0	0	110.1	H112 Q119 L395 V506	H112-F508 AromaticContact CD2-CD1 3.76Å; H112-F508 AromaticContact CD2-CD2 3.79Å; H112-F508 AromaticContact CD2-CE1 3.87Å; H112-F508 AromaticContact CD2-CE2 3.91Å; H112-F508 AromaticContact CD2-CG 3.71Å; H112-F508 AromaticContact CD2-CZ 3.95Å; Q119-F508 VanDerWaalsContact NE2-CZ 3.29Å; L395-F508 HydrophobicContact CD1-CB 4.47Å; V506-F508 HydrophobicContact CG1-CB 4.2Å
509	P	97	Very high	96.7	Very high	22 Å²	22	67.1 Å²	67.1	14%	0.143	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-69.9	161	-179.8	30.6	-34.9	0	0	0	111.6	Q119 P120 N121	Q119-P509 HydrophobicContact CB-CG 4.37Å; Q119-P509 PolarHBondContact NE2-O 3.04Å; P120-P509 HydrophobicContact CG-CB 4.17Å; P120-P509 HydrophobicContact CG-CG 4.14Å; N121-P509 HydrophobicContact CB-CG 3.89Å
510	T	95.8	Very high	96.6	Very high	117 Å²	117	67.9 Å²	67.9	72%	0.718	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-65.6	158	165.6	51.1	0	0	0	0	110.9	P120	P120-T510 VanDerWaalsContact CD-O 3.23Å; P120-T510 WeakPolarHBondContact CD-O 3.39Å
511	D	95.4	Very high	96.5	Very high	53 Å²	53	67.3 Å²	67.3	28%	0.283	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-63	146.8	176	-54.3	-42.4	0	0	0	112.4	R118 Q119	R118-D511 HydrophobicContact CB-CB 3.79Å; R118-D511 VanDerWaalsContact CZ-CG 3.44Å; R118-D511 IonicContact CZ-OD2 3.44Å; R118-D511 VanDerWaalsContact NH1-CG 3.3Å; R118-D511 IonicContact NH1-OD2 3.78Å; R118-D511 PolarHBondContact NH1-OD2 3.43Å; R118-D511 VanDerWaalsContact NH2-CG 3.25Å; R118-D511 IonicContact NH2-OD1 3.49Å; R118-D511 IonicContact NH2-OD2 3.93Å; R118-D511 PolarHBondContact NH2-OD2 2.79Å; Q119-D511 WeakPolarHBondContact CG-OD1 3.29Å
512	D	96	Very high	96.5	Very high	17 Å²	17	61.3 Å²	61.3	9%	0.091	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-100.6	118.3	174	-174.2	-17.7	0	0	0	110.4	R118 P120 R514 A515 W527	R118-D512 PolarHBondContact O-N 2.97Å; P120-D512 HydrophobicContact CG-CB 4.37Å; D512-R514 PolarHBondContact O-N 2.74Å; D512-R514 VanDerWaalsContact O-N 3.1Å; D512-R514 VanDerWaalsContact OD1-CB 3.25Å; D512-R514 WeakPolarHBondContact OD1-CB 3.37Å; D512-R514 WeakPolarHBondContact OD1-CG 3.48Å; D512-R514 PolarHBondContact OD1-N 2.81Å; D512-R514 IonicContact OD1-NE 3.15Å; D512-R514 PolarHBondContact OD1-NE 3.31Å; D512-R514 IonicContact OD2-CZ 3.9Å; D512-R514 VanDerWaalsContact OD2-CZ 3.31Å; D512-R514 IonicContact OD2-NE 2.68Å; D512-R514 PolarHBondContact OD2-NE 3.41Å; D512-R514 IonicContact OD2-NH2 3.57Å; D512-R514 PolarHBondContact OD2-NH2 3.46Å; D512-A515 WeakPolarHBondContact O-CB 3.35Å; D512-A515 PolarHBondContact O-N 3.31Å; D512-W527 HydrophobicContact CB-CZ2 4.07Å; D512-W527 VanDerWaalsContact CG-NE1 3.32Å; D512-W527 PolarHBondContact OD2-NE1 2.71Å
513	P	94.8	Very high	96.5	Very high	89 Å²	89	58.8 Å²	58.8	58%	0.578	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-62	-13.8	177	-24.7	35.3	0	0	0	115.3	A515 R519	P513-A515 PolarHBondContact O-N 3.25Å; P513-R519 PolarHBondContact O-NH1 2.76Å
514	R	96.1	Very high	96.5	Very high	87 Å²	87	57.3 Å²	57.3	33%	0.328	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-69.2	-21.6	171.7	-63.6	-179.1	-65.5	168.8	1.6	112.6	D512 N516 N520 W527 D533	D512-R514 PolarHBondContact O-N 2.74Å; D512-R514 VanDerWaalsContact O-N 3.1Å; D512-R514 VanDerWaalsContact OD1-CB 3.25Å; D512-R514 WeakPolarHBondContact OD1-CB 3.37Å; D512-R514 WeakPolarHBondContact OD1-CG 3.48Å; D512-R514 PolarHBondContact OD1-N 2.81Å; D512-R514 IonicContact OD1-NE 3.15Å; D512-R514 PolarHBondContact OD1-NE 3.31Å; D512-R514 IonicContact OD2-CZ 3.9Å; D512-R514 VanDerWaalsContact OD2-CZ 3.31Å; D512-R514 IonicContact OD2-NE 2.68Å; D512-R514 PolarHBondContact OD2-NE 3.41Å; D512-R514 IonicContact OD2-NH2 3.57Å; D512-R514 PolarHBondContact OD2-NH2 3.46Å; R514-N516 PolarHBondContact O-N 3.19Å; R514-N520 PolarHBondContact O-ND2 3.14Å; R514-W527 HydrophobicContact CB-CG 4.31Å; R514-D533 IonicContact CZ-OD2 2.86Å; R514-D533 IonicContact NH1-OD1 3.11Å; R514-D533 IonicContact NH1-OD2 3.57Å; R514-D533 PolarHBondContact NH1-OD2 3.29Å
515	A	96.4	Very high	96.5	Very high	2 Å²	2	56 Å²	56	2%	0.017	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-74.3	-4.4	178.9	0	0	0	0	0	114.8	R118 D512 P513 P517 W524 W527	R118-A515 HydrophobicContact CB-CB 3.91Å; R118-A515 HydrophobicContact CG-CB 3.82Å; D512-A515 WeakPolarHBondContact O-CB 3.35Å; D512-A515 PolarHBondContact O-N 3.31Å; P513-A515 PolarHBondContact O-N 3.25Å; A515-P517 WeakPolarHBondContact O-CD 3.21Å; A515-W524 VanDerWaalsContact O-CZ3 3.23Å; A515-W524 WeakPolarHBondContact O-CZ3 3.42Å; A515-W527 HydrophobicContact CB-CD2 3.52Å; A515-W527 HydrophobicContact CB-CE3 3.55Å; A515-W527 HydrophobicContact CB-CG 4.22Å; A515-W527 HydrophobicContact CB-CH2 3.63Å; A515-W527 HydrophobicContact CB-CZ2 3.6Å; A515-W527 HydrophobicContact CB-CZ3 3.6Å
516	N	96.3	Very high	96.5	Very high	32 Å²	32	52.3 Å²	52.3	17%	0.171	29%	0.288	C	S	.	.			trans	-59.9	123.4	178.5	178.1	-1.6	0	0	0	110.2	L187 R514 D518 R519 N520	L187-N516 HydrophobicContact CD1-CB 4.09Å; L187-N516 VanDerWaalsContact CD1-OD1 3.3Å; L187-N516 WeakPolarHBondContact CD1-OD1 3.43Å; R514-N516 PolarHBondContact O-N 3.19Å; N516-D518 PolarHBondContact ND2-OD2 2.04Å; N516-D518 PolarHBondContact O-N 3.41Å; N516-D518 VanDerWaalsContact O-N 3.12Å; N516-D518 PolarHBondContact OD1-N 3.13Å; N516-D518 PolarHBondContact OD1-OD2 3.37Å; N516-D518 VanDerWaalsContact OD1-OD2 3.14Å; N516-R519 HydrophobicContact CB-CG 4.42Å; N516-R519 WeakPolarHBondContact O-CB 3.47Å; N516-R519 PolarHBondContact O-N 3.43Å; N516-N520 PolarHBondContact O-ND2 2.97Å
517	P	97.1	Very high	96.4	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-48.7	-33.8	174.3	-31.3	38.4	0	0	0	115.3	A515 R519 N520 G521 G522 W524	A515-P517 WeakPolarHBondContact O-CD 3.21Å; P517-R519 PolarHBondContact O-N 2.97Å; P517-R519 VanDerWaalsContact O-N 3.17Å; P517-N520 CarbonylContact O-C 3.29Å; P517-N520 VanDerWaalsContact O-C 3.29Å; P517-N520 WeakPolarHBondContact O-CA 3.23Å; P517-N520 PolarHBondContact O-N 2.8Å; P517-G521 PolarHBondContact O-N 3.12Å; P517-G522 WeakPolarHBondContact O-CA 3.18Å; P517-G522 PolarHBondContact O-N 3.3Å; P517-W524 HydrophobicContact CG-CD2 3.61Å; P517-W524 VanDerWaalsContact CG-CE2 3.41Å; P517-W524 HydrophobicContact CG-CE3 3.93Å; P517-W524 HydrophobicContact CG-CG 4.16Å; P517-W524 HydrophobicContact CG-CH2 3.94Å; P517-W524 HydrophobicContact CG-CZ2 3.61Å; P517-W524 HydrophobicContact CG-CZ3 4.08Å
518	D	95.7	Very high	96.1	Very high	119 Å²	119	49 Å²	49	64%	0.636	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-56.9	-32.6	176.6	-57	-36.6	0	0	0	112.5	N516 N520	N516-D518 PolarHBondContact ND2-OD2 2.04Å; N516-D518 PolarHBondContact O-N 3.41Å; N516-D518 VanDerWaalsContact O-N 3.12Å; N516-D518 PolarHBondContact OD1-N 3.13Å; N516-D518 PolarHBondContact OD1-OD2 3.37Å; N516-D518 VanDerWaalsContact OD1-OD2 3.14Å; D518-N520 VanDerWaalsContact C-N 3.31Å
519	R	95.3	Very high	95.2	Very high	170 Å²	170	47.6 Å²	47.6	64%	0.642	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-85.1	-6.4	178.2	-59.9	-179.7	173	-168.2	-7.6	113	P513 N516 P517	P513-R519 PolarHBondContact O-NH1 2.76Å; N516-R519 HydrophobicContact CB-CG 4.42Å; N516-R519 WeakPolarHBondContact O-CB 3.47Å; N516-R519 PolarHBondContact O-N 3.43Å; P517-R519 PolarHBondContact O-N 2.97Å; P517-R519 VanDerWaalsContact O-N 3.17Å
520	N	95.3	Very high	93.5	Very high	37 Å²	37	48.8 Å²	48.8	20%	0.198	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-130.1	32	-169.3	-65	-83	0	0	0	111.7	R514 N516 P517 D518 G522 V525	R514-N520 PolarHBondContact O-ND2 3.14Å; N516-N520 PolarHBondContact O-ND2 2.97Å; P517-N520 CarbonylContact O-C 3.29Å; P517-N520 VanDerWaalsContact O-C 3.29Å; P517-N520 WeakPolarHBondContact O-CA 3.23Å; P517-N520 PolarHBondContact O-N 2.8Å; D518-N520 VanDerWaalsContact C-N 3.31Å; N520-G522 PolarHBondContact O-N 3.02Å; N520-V525 HydrophobicContact CB-CG2 3.66Å
521	G	94.9	Very high	91.3	Very high	63 Å²	63	48.9 Å²	48.9	65%	0.649	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.9	26.2	175.6	0	0	0	0	0	114.9	P517 A523	P517-G521 PolarHBondContact O-N 3.12Å; G521-A523 VanDerWaalsContact C-N 3.33Å
522	G	97	Very high	89	Confident	32 Å²	32	54.7 Å²	54.7	33%	0.33	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	12.7	-179.4	0	0	0	0	0	114.7	G189 Y190 P517 N520	G189-G522 CarbonylContact C-O 3.6Å; G189-G522 WeakPolarHBondContact CA-O 3.27Å; Y190-G522 PolarHBondContact N-O 3.45Å; P517-G522 WeakPolarHBondContact O-CA 3.18Å; P517-G522 PolarHBondContact O-N 3.3Å; N520-G522 PolarHBondContact O-N 3.02Å
523	A	98	Very high	86.8	Confident	2 Å²	2	56 Å²	56	2%	0.017	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-127.1	156.4	-176.6	0	0	0	0	0	113.3	Y190 V198 W200 G521 V525	Y190-A523 VanDerWaalsContact O-CA 3.3Å; Y190-A523 WeakPolarHBondContact O-CA 3.35Å; V198-A523 HydrophobicContact CG1-CB 4.1Å; V198-A523 HydrophobicContact CG2-CB 3.73Å; W200-A523 HydrophobicContact CH2-CB 3.97Å; W200-A523 HydrophobicContact CZ2-CB 4.06Å; G521-A523 VanDerWaalsContact C-N 3.33Å; A523-V525 HydrophobicContact CB-CG1 4.31Å; A523-V525 PolarHBondContact O-N 3.48Å
524	W	98.2	Very high	84.5	Confident	1 Å²	1	55.1 Å²	55.1	0%	0.004	31%	0.313	C	S	.	.			trans	-85	100.8	171.1	-68.5	103.1	0	0	0	110	P117 R118 F151 T171 S181 D183 L187 G189 Y190 D191 H193 A515 P517	P117-W524 HydrophobicContact CB-CD2 3.99Å; P117-W524 HydrophobicContact CB-CE3 3.62Å; P117-W524 HydrophobicContact CB-CH2 3.61Å; P117-W524 HydrophobicContact CB-CZ2 3.96Å; P117-W524 HydrophobicContact CB-CZ3 3.42Å; P117-W524 VanDerWaalsContact CB-CZ3 3.42Å; R118-W524 HydrophobicContact CG-CH2 3.89Å; R118-W524 HydrophobicContact CG-CZ3 3.79Å; F151-W524 HydrophobicContact CE2-CB 4.08Å; F151-W524 HydrophobicContact CE2-CE3 4.41Å; F151-W524 HydrophobicContact CZ-CB 4.08Å; F151-W524 HydrophobicContact CZ-CE3 4.07Å; T171-W524 HydrophobicContact CG2-CB 4.05Å; T171-W524 HydrophobicContact CG2-CD2 4.32Å; T171-W524 HydrophobicContact CG2-CG 3.89Å; S181-W524 PolarHBondContact O-NE1 3.1Å; D183-W524 HydrophobicContact CB-CH2 4.07Å; D183-W524 HydrophobicContact CB-CZ2 4.21Å; L187-W524 HydrophobicContact CG-CH2 4.47Å; G189-W524 PolarHBondContact O-NE1 2.86Å; Y190-W524 PolarHBondContact O-N 3.09Å; D191-W524 HydrophobicContact CB-CB 4.44Å; H193-W524 PolarHBondContact CE1-O 2.92Å; H193-W524 PolarHBondContact NE2-O 3.04Å; A515-W524 VanDerWaalsContact O-CZ3 3.23Å; A515-W524 WeakPolarHBondContact O-CZ3 3.42Å; P517-W524 HydrophobicContact CG-CD2 3.61Å; P517-W524 VanDerWaalsContact CG-CE2 3.41Å; P517-W524 HydrophobicContact CG-CE3 3.93Å; P517-W524 HydrophobicContact CG-CG 4.16Å; P517-W524 HydrophobicContact CG-CH2 3.94Å; P517-W524 HydrophobicContact CG-CZ2 3.61Å; P517-W524 HydrophobicContact CG-CZ3 4.08Å
525	V	97.9	Very high	81.9	Confident	30 Å²	30	58.8 Å²	58.8	18%	0.182	33%	0.334	C	S	.	.			trans	-133.1	164.9	-177.1	-72.6	0	0	0	0	111.2	V198 N520 A523 W527	V198-V525 HydrophobicContact CG2-CG1 3.64Å; N520-V525 HydrophobicContact CB-CG2 3.66Å; A523-V525 HydrophobicContact CB-CG1 4.31Å; A523-V525 PolarHBondContact O-N 3.48Å; V525-W527 PolarHBondContact O-N 3.48Å
526	P	97.9	Very high	79.5	Confident	35 Å²	35	66.4 Å²	66.4	23%	0.227	37%	0.367	C	S	.	.			trans	-57.1	132.5	172.2	-20.6	29.5	0	0	0	112.3	F151 K154 L157	F151-P526 VanDerWaalsContact O-CA 3.26Å; F151-P526 WeakPolarHBondContact O-CA 3.43Å; F151-P526 VanDerWaalsContact O-CB 3.31Å; F151-P526 WeakPolarHBondContact O-CB 3.33Å; F151-P526 VanDerWaalsContact O-CG 3.26Å; F151-P526 WeakPolarHBondContact O-CG 3.16Å; K154-P526 HydrophobicContact CG-CB 4.35Å; K154-P526 HydrophobicContact CG-CG 4.24Å; L157-P526 HydrophobicContact CD1-CG 4.02Å; L157-P526 HydrophobicContact CD2-CG 4.07Å; L157-P526 HydrophobicContact CG-CG 4.19Å
527	W	95.7	Very high	77	Confident	27 Å²	27	70.5 Å²	70.5	10%	0.102	38%	0.38	C	S	.	.			trans	-121.3	0.6	-174.1	70.9	84.1	0	0	0	114.1	P117 R118 P120 F151 Y152 D512 R514 A515 V525	P117-W527 WeakPolarHBondContact O-CH2 3.36Å; P117-W527 WeakPolarHBondContact O-CZ3 3.18Å; R118-W527 WeakPolarHBondContact O-CZ2 3.44Å; P120-W527 HydrophobicContact CB-CZ2 4.24Å; F151-W527 HydrophobicContact CD2-CZ3 4.26Å; F151-W527 HydrophobicContact CE2-CE3 4.37Å; F151-W527 AromaticContact CE2-CZ3 3.82Å; F151-W527 HydrophobicContact CE2-CZ3 3.82Å; F151-W527 HydrophobicContact CZ-CZ3 4.36Å; Y152-W527 VanDerWaalsContact CB-CZ2 3.47Å; Y152-W527 PolarHBondContact O-N 2.76Å; D512-W527 HydrophobicContact CB-CZ2 4.07Å; D512-W527 VanDerWaalsContact CG-NE1 3.32Å; D512-W527 PolarHBondContact OD2-NE1 2.71Å; R514-W527 HydrophobicContact CB-CG 4.31Å; A515-W527 HydrophobicContact CB-CD2 3.52Å; A515-W527 HydrophobicContact CB-CE3 3.55Å; A515-W527 HydrophobicContact CB-CG 4.22Å; A515-W527 HydrophobicContact CB-CH2 3.63Å; A515-W527 HydrophobicContact CB-CZ2 3.6Å; A515-W527 HydrophobicContact CB-CZ3 3.6Å; V525-W527 PolarHBondContact O-N 3.48Å
528	V	91.3	Very high	74.6	Confident	24 Å²	24	74.5 Å²	74.5	15%	0.145	40%	0.401	C	S	.	.			trans	-114	131.8	177	179.6	0	0	0	0	109.9	Y152 R153 D533	Y152-V528 HydrophobicContact CD2-CB 4.1Å; Y152-V528 HydrophobicContact CD2-CG2 3.79Å; Y152-V528 HydrophobicContact CE2-CG2 4.43Å; Y152-V528 PolarHBondContact O-N 3.37Å; Y152-V528 VanDerWaalsContact O-N 3.09Å; R153-V528 HydrophobicContact CG-CB 3.85Å; R153-V528 HydrophobicContact CG-CG1 4Å; V528-D533 HydrophobicContact CG1-CB 4.11Å
529	G	78.2	Confident	72	Confident	40 Å²	40	71 Å²	71	41%	0.412	39%	0.393	S	S	.	.			trans	-80.4	178.2	179.2	0	0	0	0	0	114
530	G	61.3	Low	69.5	Low	48 Å²	48	67.4 Å²	67.4	50%	0.495	39%	0.39	S	S	.	.	S	Bend	trans	-79	152.9	167.8	0	0	0	0	0	112.1	E532	G530-E532 VanDerWaalsContact C-N 3.29Å; G530-E532 PolarHBondContact O-N 3.29Å
531	D	48.6	Very low	66.9	Low	119 Å²	119	73.1 Å²	73.1	64%	0.636	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	-52.3	163.5	-61	13.6	0	0	0	119.7	D533 E534	D531-D533 VanDerWaalsContact C-N 3.34Å; D531-D533 PolarHBondContact O-N 2.72Å; D531-E534 WeakPolarHBondContact O-CB 3.34Å; D531-E534 PolarHBondContact O-N 2.83Å; D531-E534 VanDerWaalsContact O-N 3.09Å
532	E	46.7	Very low	64.1	Low	174 Å²	174	77.4 Å²	77.4	81%	0.813	41%	0.411	S	S	*	.	H	α-helix	trans	-65.1	-36.7	179.6	-63.8	-168.8	162.1	0	0	112.2	G530 E534	G530-E532 VanDerWaalsContact C-N 3.29Å; G530-E532 PolarHBondContact O-N 3.29Å; E532-E534 VanDerWaalsContact C-N 3.34Å
533	D	51.2	Low	61.1	Low	45 Å²	45	86 Å²	86	24%	0.241	44%	0.439	C	S	.	.	H	α-helix	trans	-73	-25.6	172.9	-107.7	-10.3	0	0	0	112.1	R514 V528 D531 Q535 K536 W537	R514-D533 IonicContact CZ-OD2 2.86Å; R514-D533 IonicContact NH1-OD1 3.11Å; R514-D533 IonicContact NH1-OD2 3.57Å; R514-D533 PolarHBondContact NH1-OD2 3.29Å; V528-D533 HydrophobicContact CG1-CB 4.11Å; D531-D533 VanDerWaalsContact C-N 3.34Å; D531-D533 PolarHBondContact O-N 2.72Å; D533-Q535 PolarHBondContact O-N 2.83Å; D533-K536 PolarHBondContact O-N 3.48Å; D533-W537 PolarHBondContact O-N 2.81Å; D533-W537 VanDerWaalsContact O-N 3.14Å
534	E	45.1	Very low	58.2	Low	70 Å²	70	89.1 Å²	89.1	33%	0.327	47%	0.472	S	S	.	.	H	α-helix	trans	-68	-35.1	-178.2	-71.5	-151.2	-175.4	0	0	112.9	R153 D531 E532 W537 N538	R153-E534 IonicContact CZ-OE1 2.64Å; R153-E534 VanDerWaalsContact CZ-OE1 3.32Å; R153-E534 IonicContact NH1-OE1 2.95Å; R153-E534 PolarHBondContact NH1-OE1 2.8Å; R153-E534 IonicContact NH2-OE1 2.74Å; R153-E534 PolarHBondContact NH2-OE1 2.76Å; D531-E534 WeakPolarHBondContact O-CB 3.34Å; D531-E534 PolarHBondContact O-N 2.83Å; D531-E534 VanDerWaalsContact O-N 3.09Å; E532-E534 VanDerWaalsContact C-N 3.34Å; E534-W537 PolarHBondContact O-N 2.87Å; E534-N538 VanDerWaalsContact O-CB 3.29Å; E534-N538 WeakPolarHBondContact O-CB 3.25Å; E534-N538 PolarHBondContact O-N 3.04Å; E534-N538 PolarHBondContact O-ND2 2.67Å
535	Q	42.8	Very low	55	Low	165 Å²	165	99.3 Å²	99.3	77%	0.771	51%	0.51	S	S	*	.	H	α-helix	trans	-66.3	-39.8	-180	-61.4	-164.6	22.6	0	0	111.5	D533	D533-Q535 PolarHBondContact O-N 2.83Å
536	K	45.9	Very low	51.6	Low	161 Å²	161	106.2 Å²	106.2	70%	0.7	55%	0.546	S	S	*	.	H	α-helix	trans	-62.8	-47.7	172.3	-78.1	172.9	178.1	163.7	0	111.4	D533 G539	D533-K536 PolarHBondContact O-N 3.48Å; K536-G539 PolarHBondContact O-N 2.85Å
537	W	42.6	Very low	48.5	Very low	118 Å²	118	112.6 Å²	112.6	45%	0.447	57%	0.57	S	S	.	*	H	α-helix	trans	-71.8	-38.2	-173.7	-148.9	-121.1	0	0	0	113.5	D533 E534 G539 V540 Y541	D533-W537 PolarHBondContact O-N 2.81Å; D533-W537 VanDerWaalsContact O-N 3.14Å; E534-W537 PolarHBondContact O-N 2.87Å; W537-G539 PolarHBondContact O-N 3.17Å; W537-V540 HydrophobicContact CE3-CG2 4.44Å; W537-V540 PolarHBondContact O-N 3.09Å; W537-Y541 AromaticContact CE2-CE2 3.94Å; W537-Y541 HydrophobicContact CZ2-CE2 4.24Å; W537-Y541 AromaticContact NE1-CE2 3.69Å
538	N	48.2	Very low	45.3	Very low	84 Å²	84	123.1 Å²	123.1	45%	0.449	61%	0.61	S	S	.	*	H	α-helix	trans	-65.9	-16.2	175.7	-83	-66.6	0	0	0	113.8	E534 K542	E534-N538 VanDerWaalsContact O-CB 3.29Å; E534-N538 WeakPolarHBondContact O-CB 3.25Å; E534-N538 PolarHBondContact O-N 3.04Å; E534-N538 PolarHBondContact O-ND2 2.67Å; N538-K542 VanDerWaalsContact O-CD 3.29Å; N538-K542 WeakPolarHBondContact O-CD 3.29Å; N538-K542 VanDerWaalsContact O-CG 3.31Å; N538-K542 WeakPolarHBondContact O-CG 3.42Å
539	G	39.2	Very low	42.3	Very low	46 Å²	46	131.4 Å²	131.4	47%	0.474	64%	0.644	S	S	.	*	H	α-helix	trans	-71.4	-41.7	171.6	0	0	0	0	0	113	K536 W537 Y541 K542	K536-G539 PolarHBondContact O-N 2.85Å; W537-G539 PolarHBondContact O-N 3.17Å; G539-Y541 PolarHBondContact O-N 2.94Å; G539-K542 PolarHBondContact O-N 3.47Å
540	V	44	Very low	40	Very low	95 Å²	95	139.3 Å²	139.3	58%	0.576	67%	0.667	S	S	*	*	H	α-helix	trans	-63	-44	-172.7	-176.6	0	0	0	0	111.8	W537 K542	W537-V540 HydrophobicContact CE3-CG2 4.44Å; W537-V540 PolarHBondContact O-N 3.09Å; V540-K542 PolarHBondContact O-N 2.89Å
541	Y	41	Very low	38.5	Very low	157 Å²	157	147.3 Å²	147.3	62%	0.616	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	3.6	-174.7	-70.5	-83.8	0	0	0	115.2	W537 G539	W537-Y541 AromaticContact CE2-CE2 3.94Å; W537-Y541 HydrophobicContact CZ2-CE2 4.24Å; W537-Y541 AromaticContact NE1-CE2 3.69Å; G539-Y541 PolarHBondContact O-N 2.94Å
542	K	36	Very low	37.6	Very low	153 Å²	153	147.4 Å²	147.4	67%	0.665	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-13.9	-176.5	-87.7	176.5	-175.8	170.8	0	115.7	N538 G539 V540 G544	N538-K542 VanDerWaalsContact O-CD 3.29Å; N538-K542 WeakPolarHBondContact O-CD 3.29Å; N538-K542 VanDerWaalsContact O-CG 3.31Å; N538-K542 WeakPolarHBondContact O-CG 3.42Å; G539-K542 PolarHBondContact O-N 3.47Å; V540-K542 PolarHBondContact O-N 2.89Å; K542-G544 VanDerWaalsContact C-N 3.31Å; K542-G544 PolarHBondContact O-N 2.88Å
543	K	33.7	Very low	37	Very low	211 Å²	211	149 Å²	149	92%	0.917	70%	0.701	S	S	*	*	S	Bend	trans	-73.9	74.4	177.1	-80	-171.9	173.6	-180	0	112.5
544	G	36	Very low	36.2	Very low	69 Å²	69	154.3 Å²	154.3	71%	0.711	73%	0.729	S	S	*	*			trans	171	35.3	176.4	0	0	0	0	0	118.6	K542	K542-G544 VanDerWaalsContact C-N 3.31Å; K542-G544 PolarHBondContact O-N 2.88Å
545	R	31.2	Very low	35.5	Very low	214 Å²	214	154 Å²	154	81%	0.808	75%	0.745	S	S	*	*			trans	-127.6	48.7	-173.4	-95.2	-173.9	171.7	-177.7	1	117	K547	R545-K547 PolarHBondContact O-N 2.77Å
546	N	27.8	Very low	35.1	Very low	176 Å²	176	155.3 Å²	155.3	94%	0.941	75%	0.748	S	S	*	*			trans	-77.9	97	164.7	-94.9	-15.3	0	0	0	111.8	R548	N546-R548 PolarHBondContact O-N 3Å
547	K	33	Very low	34.9	Very low	168 Å²	168	152.3 Å²	152.3	73%	0.73	74%	0.739	S	S	*	*			trans	-83.3	106.7	179.1	-72.2	179.6	177.4	174.8	0	112.3	R545	R545-K547 PolarHBondContact O-N 2.77Å
548	R	28.3	Very low	34.7	Very low	248 Å²	248	156.8 Å²	156.8	94%	0.936	76%	0.756	S	S	*	*			trans	-97.4	108.6	155.8	-83.8	-174.8	168.3	179.3	-3.8	110.2	N546 K550	N546-R548 PolarHBondContact O-N 3Å; R548-K550 PolarHBondContact O-N 3.28Å
549	K	28.4	Very low	34.1	Very low	199 Å²	199	156.6 Å²	156.6	87%	0.865	76%	0.761	S	S	*	*			trans	-72.2	121.4	176.7	-66.4	177.7	-179.7	174.2	0	110.3
550	K	29.6	Very low	34.2	Very low	206 Å²	206	160.6 Å²	160.6	90%	0.896	77%	0.766	S	S	*	*			trans	-110.1	123.2	157.7	-79.9	-172.2	173.6	-178.3	0	109.1	R548	R548-K550 PolarHBondContact O-N 3.28Å
551	K	28.6	Very low	34.3	Very low	216 Å²	216	158 Å²	158	94%	0.939	75%	0.747	S	S	*	*			trans	-69.6	139	171.7	-71.3	-179.2	176.6	178.1	0	109.1
552	C	30.8	Very low	34.2	Very low	121 Å²	121	158.9 Å²	158.9	82%	0.818	75%	0.754	S	S	*	*			trans	-124.2	142.2	172.4	-153.4	0	0	0	0	110.4	L554	C552-L554 PolarHBondContact O-N 3.19Å
553	K	32.7	Very low	34.3	Very low	207 Å²	207	159.2 Å²	159.2	90%	0.9	76%	0.755	S	S	*	*			trans	-84.4	115	-168.9	-68.4	-177.5	177.3	-179.7	0	111.4	G555	K553-G555 VanDerWaalsContact C-N 3.34Å; K553-G555 PolarHBondContact O-N 3.2Å
554	L	35.8	Very low	34.8	Very low	156 Å²	156	150.5 Å²	150.5	82%	0.817	72%	0.719	S	S	*	*			trans	-74.9	-9	-168.1	-131.2	78.4	0	0	0	116.6	C552	C552-L554 PolarHBondContact O-N 3.19Å
555	G	30.1	Very low	34.9	Very low	65 Å²	65	151.5 Å²	151.5	67%	0.67	71%	0.708	S	S	*	*	S	Bend	trans	-75.3	-38.5	-157.5	0	0	0	0	0	117.8	K553	K553-G555 VanDerWaalsContact C-N 3.34Å; K553-G555 PolarHBondContact O-N 3.2Å
556	K	35.1	Very low	35.3	Very low	192 Å²	192	146 Å²	146	84%	0.835	70%	0.698	S	S	*	*	S	Bend	trans	-87.1	-25.3	-159.1	-70.4	-167.1	173.6	-172	0	116.7
557	L	41.4	Very low	35.8	Very low	97 Å²	97	147 Å²	147	51%	0.508	69%	0.689	S	S	.	*	H	α-helix	trans	-82	-25.7	-173.5	-90.8	72.6	0	0	0	115.2	S559 F560 F561	L557-S559 VanDerWaalsContact C-N 3.28Å; L557-S559 PolarHBondContact O-N 3.32Å; L557-F560 PolarHBondContact O-N 3.43Å; L557-F561 HydrophobicContact CB-CE2 4.28Å; L557-F561 HydrophobicContact CD2-CE2 4.19Å; L557-F561 WeakPolarHBondContact O-CD2 3.29Å; L557-F561 PolarHBondContact O-N 3.41Å
558	R	37.7	Very low	36.3	Very low	212 Å²	212	142 Å²	142	80%	0.8	67%	0.669	S	S	*	*	H	α-helix	trans	-61.3	-35.1	-179.2	-84.5	-173.8	169.4	-172.8	-3.5	112.8	K562	R558-K562 PolarHBondContact O-N 2.88Å
559	S	35.5	Very low	36.9	Very low	81 Å²	81	136 Å²	136	57%	0.566	65%	0.654	S	S	*	*	H	α-helix	trans	-67.3	-39.9	177.3	-174.8	0	0	0	0	112.5	L557 K562 K563	L557-S559 VanDerWaalsContact C-N 3.28Å; L557-S559 PolarHBondContact O-N 3.32Å; S559-K562 PolarHBondContact O-N 3.2Å; S559-K563 PolarHBondContact O-N 3.09Å
560	F	40.7	Very low	37.1	Very low	129 Å²	129	130.8 Å²	130.8	57%	0.566	64%	0.642	S	S	*	*	H	α-helix	trans	-61.9	-50.6	-179.2	-177.4	-99.8	0	0	0	112.1	L557 K562 K563 L564	L557-F560 PolarHBondContact O-N 3.43Å; F560-K562 PolarHBondContact O-N 3.07Å; F560-K563 PolarHBondContact O-N 2.93Å; F560-L564 HydrophobicContact CE1-CD1 4.26Å; F560-L564 HydrophobicContact CZ-CD1 4.25Å; F560-L564 PolarHBondContact O-N 3.46Å
561	F	46.6	Very low	37.3	Very low	40 Å²	40	127.2 Å²	127.2	18%	0.175	63%	0.632	C	S	.	*	H	α-helix	trans	-65.7	-34.4	-178.7	-68.1	-64.7	0	0	0	113.3	L557 K563 L564	L557-F561 HydrophobicContact CB-CE2 4.28Å; L557-F561 HydrophobicContact CD2-CE2 4.19Å; L557-F561 WeakPolarHBondContact O-CD2 3.29Å; L557-F561 PolarHBondContact O-N 3.41Å; F561-K563 PolarHBondContact O-N 2.86Å; F561-L564 PolarHBondContact O-N 3.44Å
562	K	38.8	Very low	37.5	Very low	177 Å²	177	127.2 Å²	127.2	77%	0.77	63%	0.627	S	S	*	*	H	α-helix	trans	-65.6	-24.8	177.1	-159.3	175.9	-176.9	-176.3	0	112.8	R558 S559 F560	R558-K562 PolarHBondContact O-N 2.88Å; S559-K562 PolarHBondContact O-N 3.2Å; F560-K562 PolarHBondContact O-N 3.07Å
563	K	39.4	Very low	37.6	Very low	159 Å²	159	133 Å²	133	69%	0.691	65%	0.647	S	S	*	*	H	α-helix	trans	-86.8	-10.1	171.6	-71.8	-167.7	174.6	-170.2	0	114.4	S559 F560 F561 T566	S559-K563 PolarHBondContact O-N 3.09Å; F560-K563 PolarHBondContact O-N 2.93Å; F561-K563 PolarHBondContact O-N 2.86Å; K563-T566 PolarHBondContact O-OG1 2.91Å
564	L	44	Very low	37.8	Very low	29 Å²	29	129.3 Å²	129.3	15%	0.152	63%	0.634	C	S	.	*	H	α-helix	trans	-83.1	-44.4	-178.8	-151.1	80.8	0	0	0	111.5	Q491 F560 F561 T566 R567 I568	Q491-L564 HydrophobicContact CG-CD2 4.32Å; F560-L564 HydrophobicContact CE1-CD1 4.26Å; F560-L564 HydrophobicContact CZ-CD1 4.25Å; F560-L564 PolarHBondContact O-N 3.46Å; F561-L564 PolarHBondContact O-N 3.44Å; L564-T566 VanDerWaalsContact C-N 3.29Å; L564-T566 PolarHBondContact O-N 3.14Å; L564-R567 PolarHBondContact O-N 3.34Å; L564-I568 PolarHBondContact O-N 3.33Å
565	N	37.1	Very low	37.9	Very low	89 Å²	89	127.9 Å²	127.9	48%	0.476	63%	0.625	S	S	.	*	H	α-helix	trans	-57.6	-39	-179.5	-73.3	27.5	0	0	0	112.8	R567 M569	N565-R567 VanDerWaalsContact C-N 3.27Å; N565-R567 PolarHBondContact O-N 3.47Å; N565-M569 WeakPolarHBondContact O-CG 3.31Å
566	T	39.3	Very low	38.3	Very low	100 Å²	100	131.4 Å²	131.4	61%	0.613	62%	0.622	S	S	*	*	H	α-helix	trans	-68.1	-24	176.6	43.8	0	0	0	0	113.4	K563 L564	K563-T566 PolarHBondContact O-OG1 2.91Å; L564-T566 VanDerWaalsContact C-N 3.29Å; L564-T566 PolarHBondContact O-N 3.14Å
567	R	38.8	Very low	38.5	Very low	197 Å²	197	127.8 Å²	127.8	74%	0.743	61%	0.61	S	S	*	*	H	α-helix	trans	-85.8	-31.5	-178.5	-142.8	176.3	-167.6	-174.8	2.4	113	L564 N565 M569 S570	L564-R567 PolarHBondContact O-N 3.34Å; N565-R567 VanDerWaalsContact C-N 3.27Å; N565-R567 PolarHBondContact O-N 3.47Å; R567-M569 VanDerWaalsContact C-N 3.32Å; R567-S570 PolarHBondContact O-N 3.44Å
568	I	44.5	Very low	38.4	Very low	61 Å²	61	129.8 Å²	129.8	31%	0.313	62%	0.616	S	S	.	*	H	α-helix	trans	-65.7	-37.4	173.2	-65.5	169.5	0	0	0	110.8	V424 L564 S570	V424-I568 HydrophobicContact CG1-CD1 4.37Å; L564-I568 PolarHBondContact O-N 3.33Å; I568-S570 VanDerWaalsContact C-N 3.29Å; I568-S570 PolarHBondContact O-N 2.72Å
569	M	40.1	Very low	38.4	Very low	124 Å²	124	124.3 Å²	124.3	61%	0.611	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	-17.9	178.6	-71.1	-100.6	169.3	0	0	114.5	L386 N565 R567	L386-M569 HydrophobicContact CD1-CE 3.83Å; L386-M569 HydrophobicContact CD2-CE 3.66Å; L386-M569 HydrophobicContact CG-CE 4.35Å; N565-M569 WeakPolarHBondContact O-CG 3.31Å; R567-M569 VanDerWaalsContact C-N 3.32Å
570	S	33.3	Very low	38.6	Very low	89 Å²	89	127.4 Å²	127.4	62%	0.622	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-11.8	-170	-167.6	0	0	0	0	114.8	R567 I568	R567-S570 PolarHBondContact O-N 3.44Å; I568-S570 VanDerWaalsContact C-N 3.29Å; I568-S570 PolarHBondContact O-N 2.72Å
571	N	32	Very low	38.4	Very low	130 Å²	130	127.2 Å²	127.2	70%	0.695	61%	0.609	S	S	*	*			trans	-109.4	61.1	-173.5	-73.2	27.1	0	0	0	111.4
572	R	33.5	Very low	37.8	Very low	217 Å²	217	134.5 Å²	134.5	82%	0.819	65%	0.646	S	S	*	*			trans	-92.7	107.7	158.7	-78.5	-174.6	175.3	166.1	1.7	109
573	I	32.4	Very low	37.7	Very low	242 Å²	242	130.6 Å²	130.6	100%	1.241	63%	0.634	S	S	*	*			trans	-134	0	159.3	-56.7	-179.4	0	0	0	104.8

Retrieved 573 of 573 residues in 3079.4 ms (Link to these results)

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