A0A060X0V6_ONCMY Loading...

Deaminated glutathione amidase

AlphaFold DB , UniProt , Accession A0A060X0V6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene nit1, Length 323 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	40	Very low	28.9	Very low	234 Å²	234	180.5 Å²	180.5	100%	1.153	88%	0.881	S	S	*	*				0	84.6	0	-165.8	172.8	175.8	0	0	107.9
2	F	24.6	Very low	28.7	Very low	205 Å²	205	185.3 Å²	185.3	90%	0.899	88%	0.883	S	S	*	*			trans	-144.6	114.9	171.1	-104.8	-88.5	0	0	0	106
3	V	29.3	Very low	28.8	Very low	126 Å²	126	181.5 Å²	181.5	76%	0.764	88%	0.879	S	S	*	*			trans	-89.9	117.6	-178.9	174.6	0	0	0	0	107
4	L	27.8	Very low	28.8	Very low	163 Å²	163	182.4 Å²	182.4	85%	0.853	88%	0.876	S	S	*	*			trans	-122.4	104.5	163	-103	122.6	0	0	0	108.7	C6	L4-C6 PolarHBondContact O-N 3.46Å
5	R	30.3	Very low	28.8	Very low	240 Å²	240	182.3 Å²	182.3	91%	0.906	87%	0.873	S	S	*	*			trans	-64.7	120.2	167.1	-77.5	174.8	168.2	178.8	-3.7	108.6
6	C	25.7	Very low	28.8	Very low	128 Å²	128	181.4 Å²	181.4	87%	0.865	87%	0.874	S	S	*	*			trans	-105.8	118.3	165.3	-155.5	0	0	0	0	108.8	L4	L4-C6 PolarHBondContact O-N 3.46Å
7	S	27.4	Very low	28.9	Very low	101 Å²	101	179.2 Å²	179.2	71%	0.706	87%	0.867	S	S	*	*			trans	-77.8	121.4	-178.5	71.7	0	0	0	0	110.9	R9	S7-R9 PolarHBondContact O-N 3.28Å
8	L	28.8	Very low	28.7	Very low	174 Å²	174	178.4 Å²	178.4	91%	0.911	87%	0.868	S	S	*	*			trans	-76.7	105.6	167.1	-83.8	151.2	0	0	0	109.4	R10	L8-R10 PolarHBondContact O-N 3.28Å
9	R	27.1	Very low	28.7	Very low	233 Å²	233	174.7 Å²	174.7	88%	0.879	86%	0.86	S	S	*	*			trans	-67.7	112	166.8	-79.9	-178	174.4	-171.2	-1.4	108.9	S7 T11	S7-R9 PolarHBondContact O-N 3.28Å; R9-T11 PolarHBondContact O-N 3.32Å
10	R	28.5	Very low	28.6	Very low	245 Å²	245	175.4 Å²	175.4	93%	0.925	86%	0.861	S	S	*	*			trans	-73.9	108.3	162	-86.2	179.3	169.7	177.1	-4	108.9	L8 R12	L8-R10 PolarHBondContact O-N 3.28Å; R10-R12 PolarHBondContact O-N 3.41Å
11	T	28.1	Very low	28.6	Very low	136 Å²	136	172.6 Å²	172.6	83%	0.834	86%	0.859	S	S	*	*			trans	-77.5	106.5	168.1	-3.6	0	0	0	0	108.8	R9	R9-T11 PolarHBondContact O-N 3.32Å
12	R	27.3	Very low	28	Very low	238 Å²	238	166.4 Å²	166.4	90%	0.898	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-73.1	117.8	164.9	-82.5	-179.8	174.7	-179.2	-2.2	108.4	R10	R10-R12 PolarHBondContact O-N 3.41Å
13	V	29.5	Very low	28.2	Very low	137 Å²	137	169.4 Å²	169.4	83%	0.83	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-83.5	119.6	163.6	179.2	0	0	0	0	107.4
14	K	28.6	Very low	28.2	Very low	194 Å²	194	167 Å²	167	84%	0.843	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-77.3	126.4	174.3	-79.9	179.4	172.3	-178.8	0	109
15	H	29.4	Very low	28.6	Very low	180 Å²	180	164.6 Å²	164.6	83%	0.833	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-69.8	130.8	162	-85.4	-79.3	0	0	0	109.7
16	L	28	Very low	28.9	Very low	168 Å²	168	157.4 Å²	157.4	88%	0.88	83%	0.828	S	S	*	*			trans	-106.4	109.6	157.4	-95.9	151.3	0	0	0	106.2
17	L	31.5	Very low	29.6	Very low	144 Å²	144	154.1 Å²	154.1	75%	0.754	81%	0.806	S	S	*	*			trans	-84.6	134.2	163.7	-79.2	154.5	0	0	0	106.9
18	D	24.3	Very low	30.5	Very low	166 Å²	166	154 Å²	154	89%	0.888	80%	0.796	S	S	*	*			trans	-141.4	125.2	143.8	-94.3	-31	0	0	0	109
19	C	29.3	Very low	31.5	Very low	107 Å²	107	150.6 Å²	150.6	72%	0.723	77%	0.772	S	S	*	*			trans	-91.1	145.3	-179.5	-104.4	0	0	0	0	110.4
20	H	26.8	Very low	32.6	Very low	188 Å²	188	142.8 Å²	142.8	87%	0.87	75%	0.75	S	S	*	*			trans	169.9	118.1	132.4	-84.5	-55.1	0	0	0	105.4
21	S	28.4	Very low	33.4	Very low	118 Å²	118	137 Å²	137	83%	0.825	73%	0.733	S	S	*	*				-164.5	148.1	69.5	51.7	0	0	0	0	112.5
22	S	27.7	Very low	34.4	Very low	104 Å²	104	136.9 Å²	136.9	73%	0.727	72%	0.723	S	S	*	*			trans	-64.6	127.9	-175.2	51.7	0	0	0	0	116.2
23	W	29.5	Very low	35	Very low	268 Å²	268	137.5 Å²	137.5	100%	1.015	73%	0.725	S	S	*	*			trans	-155.9	130.7	135.6	-82.4	90.9	0	0	0	107.6
24	G	28.6	Very low	36.2	Very low	75 Å²	75	134.1 Å²	134.1	77%	0.773	70%	0.701	S	S	*	*			trans	-78.2	145.9	-165.7	0	0	0	0	0	116.2
25	S	35.9	Very low	37	Very low	112 Å²	112	128.4 Å²	128.4	78%	0.783	69%	0.685	S	S	*	*			trans	127.8	111.5	164.8	-58.7	0	0	0	0	110.1	C27	S25-C27 PolarHBondContact O-N 2.82Å
26	S	37.1	Very low	37.9	Very low	90 Å²	90	126.2 Å²	126.2	63%	0.629	69%	0.691	S	S	*	*			trans	-72.8	84.4	-168.1	58.6	0	0	0	0	113.3
27	C	40.6	Very low	39.2	Very low	59 Å²	59	122.7 Å²	122.7	40%	0.399	68%	0.68	S	S	.	*			trans	-91.4	116.1	155.4	-75	0	0	0	0	107.8	S25 W29	S25-C27 PolarHBondContact O-N 2.82Å; C27-W29 HydrophobicContact CB-CZ2 4.07Å; C27-W29 PolarHBondContact O-NE1 3.29Å
28	I	45.9	Very low	40.4	Very low	98 Å²	98	117.4 Å²	117.4	50%	0.503	66%	0.655	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.5	121.1	173.1	-61.7	177.4	0	0	0	107.6	N284	I28-N284 HydrophobicContact CD1-CB 4.43Å; I28-N284 WeakPolarHBondContact CD1-ND2 3.46Å
29	W	49.8	Very low	43	Very low	103 Å²	103	115 Å²	115	39%	0.39	65%	0.648	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.9	112.5	177.9	-59	87.6	0	0	0	108.7	C27 H31 A67 M287	C27-W29 HydrophobicContact CB-CZ2 4.07Å; C27-W29 PolarHBondContact O-NE1 3.29Å; W29-H31 VanDerWaalsContact C-N 3.34Å; W29-H31 PolarHBondContact O-N 2.79Å; W29-A67 HydrophobicContact CH2-CB 3.34Å; W29-A67 HydrophobicContact CZ2-CB 4.19Å; W29-A67 HydrophobicContact CZ3-CB 4.06Å; W29-M287 HydrophobicContact CE3-CE 4.14Å; W29-M287 HydrophobicContact CH2-CE 3.43Å; W29-M287 VanDerWaalsContact CH2-CE 3.43Å; W29-M287 HydrophobicContact CZ3-CE 3.05Å; W29-M287 HydrophobicContact CZ3-CG 4.23Å
30	V	49.9	Very low	46	Very low	69 Å²	69	112.9 Å²	112.9	42%	0.418	63%	0.628	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.6	87.2	167.1	-176	0	0	0	0	107.1	Q32	V30-Q32 PolarHBondContact O-N 3.18Å
31	H	44.8	Very low	49.3	Very low	124 Å²	124	106.2 Å²	106.2	57%	0.574	60%	0.601	S	S	*	*			trans	-84.2	106.9	169	-73.9	-64.5	0	0	0	109.2	W29	W29-H31 VanDerWaalsContact C-N 3.34Å; W29-H31 PolarHBondContact O-N 2.79Å
32	Q	49.9	Very low	52.6	Low	132 Å²	132	101.3 Å²	101.3	62%	0.617	57%	0.566	S	S	*	*			trans	-69.5	134.1	149.4	-137.6	169	1.6	0	0	106.3	V30 M34 M277	V30-Q32 PolarHBondContact O-N 3.18Å; Q32-M34 PolarHBondContact O-N 3.36Å; Q32-M277 PolarHBondContact OE1-O 3.49Å
33	R	40.3	Very low	56	Low	252 Å²	252	96.4 Å²	96.4	95%	0.951	53%	0.532	S	S	*	.			trans	-56.4	102.4	-177.5	-85.9	-175.3	-175.4	179.9	1.1	109.7
34	M	52.8	Low	59.3	Low	65 Å²	65	83.6 Å²	83.6	32%	0.32	48%	0.483	S	S	.	.			trans	-80.8	129.4	172.1	-63.9	177.8	80.4	0	0	108.3	Q32 V42 L289 E291	Q32-M34 PolarHBondContact O-N 3.36Å; M34-V42 HydrophobicContact CE-CB 4.24Å; M34-V42 HydrophobicContact CE-CG1 3.7Å; M34-V42 HydrophobicContact CE-CG2 3.45Å; M34-V42 VanDerWaalsContact CE-CG2 3.45Å; M34-L289 HydrophobicContact SD-CB 3.85Å; M34-E291 HydrophobicContact CE-CG 3.71Å
35	S	46	Very low	62.6	Low	74 Å²	74	80.1 Å²	80.1	52%	0.517	45%	0.447	S	S	.	.			trans	-70.8	133.6	170.7	152.4	0	0	0	0	108.1	S37 S38	S35-S37 PolarHBondContact O-N 3.36Å; S35-S38 PolarHBondContact O-N 3.48Å
36	S	49.2	Very low	65.6	Low	135 Å²	135	74.8 Å²	74.8	94%	0.944	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	15.9	-176.4	60.8	0	0	0	0	114.9
37	S	54.2	Low	68.6	Low	94 Å²	94	70.5 Å²	70.5	66%	0.657	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-150.9	31.9	-179.4	71.9	0	0	0	0	112.7	S35	S35-S37 PolarHBondContact O-N 3.36Å
38	S	57.1	Low	71.3	Confident	33 Å²	33	67.7 Å²	67.7	23%	0.231	36%	0.361	C	S	.	.			trans	-64	128.8	174.4	-175.6	0	0	0	0	110.2	S35 H40 E291	S35-S38 PolarHBondContact O-N 3.48Å; S38-H40 PolarHBondContact O-N 3.4Å; S38-H40 PolarHBondContact OG-N 2.58Å; S38-E291 WeakPolarHBondContact CB-OE1 3.42Å; S38-E291 VanDerWaalsContact CB-OE2 3.24Å; S38-E291 WeakPolarHBondContact CB-OE2 3.09Å; S38-E291 PolarHBondContact OG-OE1 2.85Å; S38-E291 PolarHBondContact OG-OE2 2.84Å
39	P	79.4	Confident	73.8	Confident	115 Å²	115	64.8 Å²	64.8	75%	0.747	35%	0.348	S	S	*	.			trans	-73.2	-7.2	176.2	31.8	-35.5	0	0	0	112.5
40	H	92	Very high	76.1	Confident	62 Å²	62	59.9 Å²	59.9	29%	0.287	33%	0.329	S	S	.	.	S	Bend	trans	-89.1	141.5	-173.5	-60.7	-66.9	0	0	0	112.2	S38 E291 D293	S38-H40 PolarHBondContact O-N 3.4Å; S38-H40 PolarHBondContact OG-N 2.58Å; H40-E291 HydrophobicContact CB-CB 4.22Å; H40-D293 VanDerWaalsContact CE1-CG 3.46Å; H40-D293 IonicContact CE1-OD1 3.01Å; H40-D293 PolarHBondContact CE1-OD1 3.15Å; H40-D293 IonicContact ND1-OD1 3.99Å
41	P	95.9	Very high	78.4	Confident	48 Å²	48	58.6 Å²	58.6	31%	0.312	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-56.7	139.9	170.5	-24.1	34.2	0	0	0	111.8	P189 I190 I292	P41-P189 VanDerWaalsContact CG-O 3.25Å; P41-P189 WeakPolarHBondContact CG-O 3.24Å; P41-I190 HydrophobicContact CB-CB 4.27Å; P41-I190 HydrophobicContact CB-CG2 3.77Å; P41-I292 PolarHBondContact O-N 3.36Å
42	V	98.3	Very high	81	Confident	16 Å²	16	54.2 Å²	54.2	10%	0.097	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	133.9	178.4	179.6	0	0	0	0	110	M34 A73 S74 L289 L290 E291	M34-V42 HydrophobicContact CE-CB 4.24Å; M34-V42 HydrophobicContact CE-CG1 3.7Å; M34-V42 HydrophobicContact CE-CG2 3.45Å; M34-V42 VanDerWaalsContact CE-CG2 3.45Å; V42-A73 HydrophobicContact CG1-CB 4.39Å; V42-A73 WeakPolarHBondContact O-CA 3.45Å; V42-S74 PolarHBondContact O-N 3.31Å; V42-S74 PolarHBondContact O-OG 3.4Å; V42-L289 HydrophobicContact CG1-CB 4.41Å; V42-L289 HydrophobicContact CG1-CD2 4.01Å; V42-L290 CarbonylContact C-O 3.59Å; V42-L290 VanDerWaalsContact CA-O 3.31Å; V42-L290 WeakPolarHBondContact CA-O 3.16Å; V42-E291 HydrophobicContact CG2-CG 4.42Å
43	A	98.6	Very high	83.3	Confident	0 Å²	0	52 Å²	52	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	149.6	170.2	0	0	0	0	0	110.3	M75 F77 I190 L249 L289 L290 I292	A43-M75 WeakPolarHBondContact CA-O 3.44Å; A43-F77 HydrophobicContact CB-CE2 4.02Å; A43-I190 HydrophobicContact CB-CD1 4.13Å; A43-L249 HydrophobicContact CB-CD1 4.02Å; A43-L289 WeakPolarHBondContact O-CA 3.38Å; A43-L290 PolarHBondContact N-O 2.96Å; A43-L290 PolarHBondContact O-N 3.48Å; A43-I292 HydrophobicContact CB-CD1 4.14Å; A43-I292 HydrophobicContact CB-CG1 3.9Å
44	A	98.8	Very high	86	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	123.1	170.9	0	0	0	0	0	110.8	A68 A73 M75 V76 F77 M287 A288 L289	A44-A68 HydrophobicContact CB-CB 3.59Å; A44-A73 HydrophobicContact CB-CB 3.94Å; A44-M75 PolarHBondContact N-O 2.87Å; A44-V76 HydrophobicContact CB-CG1 4.32Å; A44-V76 HydrophobicContact CB-CG2 4.24Å; A44-V76 WeakPolarHBondContact O-CA 3.45Å; A44-F77 WeakPolarHBondContact O-CD2 3.43Å; A44-F77 PolarHBondContact O-N 3.16Å; A44-M287 HydrophobicContact CB-SD 3.98Å; A44-A288 CarbonylContact C-O 3.57Å; A44-A288 WeakPolarHBondContact CA-O 3.3Å; A44-L289 HydrophobicContact CB-CD2 3.65Å
45	V	98.8	Very high	88.2	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.006	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	112.5	176.8	-177.9	0	0	0	0	108.9	F77 L249 A251 A267 A269 M287 A288 L290	V45-F77 HydrophobicContact CG2-CD2 4.44Å; V45-L249 HydrophobicContact CG2-CB 3.89Å; V45-L249 HydrophobicContact CG2-CD1 4.47Å; V45-L249 HydrophobicContact CG2-CD2 3.99Å; V45-L249 HydrophobicContact CG2-CG 4.32Å; V45-A251 HydrophobicContact CG1-CB 4.17Å; V45-A267 HydrophobicContact CG1-CB 4.18Å; V45-A269 HydrophobicContact CG2-CB 4.44Å; V45-M287 WeakPolarHBondContact O-CA 3.47Å; V45-M287 VanDerWaalsContact O-CB 3.26Å; V45-M287 WeakPolarHBondContact O-CB 3.39Å; V45-A288 PolarHBondContact N-O 2.99Å; V45-A288 PolarHBondContact O-N 2.91Å; V45-L290 HydrophobicContact CB-CD1 4.4Å; V45-L290 HydrophobicContact CG2-CD1 3.72Å
46	C	98.8	Very high	90.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	153.5	-172.5	-61	0	0	0	0	113.4	L64 V76 F77 L78 A251 A252 A267 M287	C46-L64 HydrophobicContact CB-CD1 4.07Å; C46-V76 VanDerWaalsContact SG-CG1 3.5Å; C46-F77 WeakPolarHBondContact CB-O 3.46Å; C46-F77 PolarHBondContact N-O 2.91Å; C46-L78 HydrophobicContact CB-CD2 3.85Å; C46-A251 VanDerWaalsContact O-CA 3.31Å; C46-A251 WeakPolarHBondContact O-CA 3.43Å; C46-A251 VanDerWaalsContact O-CB 3.32Å; C46-A251 WeakPolarHBondContact O-CB 3.41Å; C46-A252 PolarHBondContact O-N 3.08Å; C46-A267 WeakPolarHBondContact O-CB 3.45Å; C46-M287 HydrophobicContact CB-CB 4.35Å
47	Q	98.4	Very high	93.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	127.7	173.1	-177.5	159.1	-81.3	0	0	109.8	A252 V254 G265 A267 C280 G281 N284 T285 G286	Q47-A252 VanDerWaalsContact CA-O 3.24Å; Q47-A252 WeakPolarHBondContact CA-O 3.18Å; Q47-V254 HydrophobicContact CG-CB 3.58Å; Q47-V254 HydrophobicContact CG-CG1 3.46Å; Q47-V254 VanDerWaalsContact CG-CG1 3.46Å; Q47-V254 HydrophobicContact CG-CG2 4.4Å; Q47-G265 VanDerWaalsContact OE1-CA 3.25Å; Q47-A267 HydrophobicContact CB-CB 3.7Å; Q47-A267 HydrophobicContact CG-CB 4.36Å; Q47-C280 HydrophobicContact CB-CB 3.91Å; Q47-C280 HydrophobicContact CG-CB 4.45Å; Q47-C280 PolarHBondContact NE2-O 3.16Å; Q47-G281 PolarHBondContact NE2-O 3.44Å; Q47-G281 PolarHBondContact OE1-O 2.72Å; Q47-G281 VanDerWaalsContact OE1-O 3.08Å; Q47-N284 PolarHBondContact NE2-O 3.05Å; Q47-T285 WeakPolarHBondContact O-CA 3.45Å; Q47-T285 WeakPolarHBondContact O-CG2 3.41Å; Q47-G286 PolarHBondContact N-O 2.55Å; Q47-G286 PolarHBondContact O-N 3.29Å
48	V	98.4	Very high	95.2	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	153.9	-174.4	-173.9	0	0	0	0	110.4	L64 P79 A252 Q253 V254	V48-L64 HydrophobicContact CG2-CD1 3.67Å; V48-P79 HydrophobicContact CB-CG 4.04Å; V48-P79 HydrophobicContact CG2-CG 4.15Å; V48-A252 PolarHBondContact N-O 2.82Å; V48-A252 VanDerWaalsContact N-O 3.17Å; V48-Q253 CarbonylContact O-C 3.52Å; V48-Q253 WeakPolarHBondContact O-CA 3.47Å; V48-Q253 PolarHBondContact O-OE1 3.28Å; V48-V254 PolarHBondContact O-N 3.38Å
49	T	98.6	Very high	97.2	Very high	37 Å²	37	32.5 Å²	32.5	23%	0.227	19%	0.189	C	C	.	.			trans	-110.2	86	165.9	-54	0	0	0	0	109.1	V254 S256 T285	T49-V254 VanDerWaalsContact CB-O 3.26Å; T49-V254 WeakPolarHBondContact CB-O 3.48Å; T49-V254 WeakPolarHBondContact CG2-O 2.99Å; T49-V254 VanDerWaalsContact OG1-CG1 3.29Å; T49-V254 WeakPolarHBondContact OG1-CG1 3.46Å; T49-V254 PolarHBondContact OG1-O 2.76Å; T49-S256 WeakPolarHBondContact CG2-O 3.43Å; T49-T285 PolarHBondContact N-OG1 2.98Å
50	A	98.5	Very high	98.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.167	C	C	.	.			trans	-73.7	141.9	178.9	0	0	0	0	0	111.3	N57 G81 I85 H257	A50-N57 WeakPolarHBondContact CA-OD1 3.4Å; A50-G81 WeakPolarHBondContact CB-O 3.33Å; A50-I85 HydrophobicContact CB-CG1 4.14Å; A50-H257 WeakPolarHBondContact O-CB 3.38Å; A50-H257 PolarHBondContact O-ND1 2.95Å
51	T	98.4	Very high	98.4	Very high	42 Å²	42	25.8 Å²	25.8	26%	0.258	15%	0.153	S	C	.	.			trans	-120.8	-174.5	177	69.9	0	0	0	0	109.5	D53 N57 Y84 I85	T51-D53 PolarHBondContact O-N 2.97Å; T51-D53 PolarHBondContact OG1-N 2.9Å; T51-N57 PolarHBondContact N-OD1 3.03Å; T51-N57 PolarHBondContact O-ND2 3.25Å; T51-Y84 VanDerWaalsContact O-CA 3.31Å; T51-Y84 WeakPolarHBondContact O-CA 3.48Å; T51-Y84 VanDerWaalsContact O-CB 3.24Å; T51-Y84 WeakPolarHBondContact O-CB 3.4Å; T51-I85 CarbonylContact C-O 3.44Å; T51-I85 PolarHBondContact O-N 3.27Å; T51-I85 VanDerWaalsContact O-N 3.09Å
52	P	98.1	Very high	98.6	Very high	31 Å²	31	27.9 Å²	27.9	20%	0.201	16%	0.155	C	C	.	.	S	Bend	trans	-64.5	-17.4	169.8	-23.6	34.4	0	0	0	114.3	K54 I85 S87 L95	P52-K54 PolarHBondContact O-N 3.29Å; P52-K54 VanDerWaalsContact O-N 3.16Å; P52-I85 VanDerWaalsContact CD-O 3.3Å; P52-I85 WeakPolarHBondContact CD-O 3.39Å; P52-I85 WeakPolarHBondContact CG-O 3.33Å; P52-S87 VanDerWaalsContact CG-OG 3.27Å; P52-S87 WeakPolarHBondContact CG-OG 3.19Å; P52-L95 HydrophobicContact CB-CD1 4.38Å
53	D	98.4	Very high	98.6	Very high	87 Å²	87	35 Å²	35	47%	0.465	18%	0.18	S	C	.	.			trans	-80.3	96.4	-179.3	-174.6	-19.1	0	0	0	111.9	T51 E55 A56 N57	T51-D53 PolarHBondContact O-N 2.97Å; T51-D53 PolarHBondContact OG1-N 2.9Å; D53-E55 VanDerWaalsContact C-N 3.28Å; D53-E55 PolarHBondContact O-N 2.82Å; D53-E55 PolarHBondContact OD1-N 2.87Å; D53-A56 HydrophobicContact CB-CB 3.92Å; D53-A56 VanDerWaalsContact CG-CB 3.48Å; D53-A56 PolarHBondContact O-N 2.95Å; D53-A56 PolarHBondContact OD1-N 2.97Å; D53-N57 PolarHBondContact O-N 2.93Å; D53-N57 PolarHBondContact O-ND2 2.99Å; D53-N57 PolarHBondContact O-OD1 2.9Å
54	K	98.4	Very high	98.6	Very high	30 Å²	30	35.2 Å²	35.2	13%	0.13	18%	0.181	C	C	.	.	H	α-helix	trans	-59.7	-34.2	-179.3	-60.9	-176	70.8	165.7	0	113.8	P52 F58 Y84 L95 E97	P52-K54 PolarHBondContact O-N 3.29Å; P52-K54 VanDerWaalsContact O-N 3.16Å; K54-F58 WeakPolarHBondContact O-CB 3.19Å; K54-F58 PolarHBondContact O-N 2.93Å; K54-Y84 HydrophobicContact CD-CD1 4.03Å; K54-Y84 HydrophobicContact CG-CD1 4Å; K54-Y84 HydrophobicContact CG-CG 4.31Å; K54-L95 HydrophobicContact CD-CB 4.3Å; K54-L95 HydrophobicContact CD-CD2 4.08Å; K54-L95 PolarHBondContact NZ-O 2.94Å; K54-E97 IonicContact NZ-OE1 3.84Å; K54-E97 PolarHBondContact NZ-OE1 3.3Å
55	E	98.5	Very high	98.6	Very high	93 Å²	93	35.2 Å²	35.2	44%	0.435	18%	0.181	S	C	.	.	H	α-helix	trans	-74.4	-41.6	-178.5	-71.3	-61.5	159	0	0	111.2	D53 T59 R106	D53-E55 VanDerWaalsContact C-N 3.28Å; D53-E55 PolarHBondContact O-N 2.82Å; D53-E55 PolarHBondContact OD1-N 2.87Å; E55-T59 WeakPolarHBondContact O-CB 3.36Å; E55-T59 PolarHBondContact O-N 3.49Å; E55-T59 PolarHBondContact O-OG1 3.3Å; E55-R106 IonicContact OE1-CZ 2.53Å; E55-R106 IonicContact OE1-NH1 2.91Å; E55-R106 PolarHBondContact OE1-NH1 2.8Å; E55-R106 IonicContact OE1-NH2 2.87Å; E55-R106 PolarHBondContact OE1-NH2 2.59Å; E55-R106 IonicContact OE2-CZ 3.53Å; E55-R106 IonicContact OE2-NH1 3.15Å; E55-R106 PolarHBondContact OE2-NH1 2.77Å; E55-R106 IonicContact OE2-NH2 2.82Å
56	A	98.4	Very high	98.6	Very high	46 Å²	46	38 Å²	38	38%	0.38	20%	0.195	S	C	.	.	H	α-helix	trans	-61.7	-45.3	172.3	0	0	0	0	0	111.1	D53 T59 A60	D53-A56 HydrophobicContact CB-CB 3.92Å; D53-A56 VanDerWaalsContact CG-CB 3.48Å; D53-A56 PolarHBondContact O-N 2.95Å; D53-A56 PolarHBondContact OD1-N 2.97Å; A56-T59 PolarHBondContact O-N 3.23Å; A56-A60 PolarHBondContact O-N 3.49Å
57	N	98.7	Very high	98.6	Very high	5 Å²	5	38.9 Å²	38.9	3%	0.027	20%	0.202	C	C	.	.	H	α-helix	trans	-61.8	-48.8	178.2	-59.9	-25.3	0	0	0	111.7	A50 T51 D53 T59 A60 C61 D83 Y84	A50-N57 WeakPolarHBondContact CA-OD1 3.4Å; T51-N57 PolarHBondContact N-OD1 3.03Å; T51-N57 PolarHBondContact O-ND2 3.25Å; D53-N57 PolarHBondContact O-N 2.93Å; D53-N57 PolarHBondContact O-ND2 2.99Å; D53-N57 PolarHBondContact O-OD1 2.9Å; N57-T59 VanDerWaalsContact C-N 3.27Å; N57-T59 PolarHBondContact O-N 3.33Å; N57-A60 PolarHBondContact O-N 2.89Å; N57-C61 WeakPolarHBondContact O-CB 3.32Å; N57-C61 PolarHBondContact O-N 2.82Å; N57-C61 PolarHBondContact O-SG 2.99Å; N57-D83 PolarHBondContact ND2-O 2.94Å; N57-Y84 VanDerWaalsContact ND2-CA 3.32Å; N57-Y84 WeakPolarHBondContact ND2-CA 3.48Å
58	F	98.8	Very high	98.6	Very high	19 Å²	19	38.9 Å²	38.9	8%	0.083	20%	0.202	C	C	.	.	H	α-helix	trans	-58	-42.5	176	175.8	-106.2	0	0	0	111.3	K54 A60 C61 R62 I103 R106 Y107	K54-F58 WeakPolarHBondContact O-CB 3.19Å; K54-F58 PolarHBondContact O-N 2.93Å; F58-A60 PolarHBondContact O-N 3.36Å; F58-C61 PolarHBondContact O-N 3.21Å; F58-R62 WeakPolarHBondContact O-CB 3.49Å; F58-R62 PolarHBondContact O-N 3.44Å; F58-I103 HydrophobicContact CB-CD1 4.01Å; F58-I103 HydrophobicContact CD2-CD1 4.04Å; F58-I103 HydrophobicContact CG-CD1 4.29Å; F58-R106 HydrophobicContact CD2-CB 4.32Å; F58-R106 HydrophobicContact CE1-CB 4.45Å; F58-R106 HydrophobicContact CE2-CB 3.6Å; F58-R106 HydrophobicContact CZ-CB 3.68Å; F58-R106 HydrophobicContact CZ-CG 4.44Å; F58-Y107 HydrophobicContact CD2-CD2 4.32Å; F58-Y107 HydrophobicContact CD2-CE1 4.34Å; F58-Y107 AromaticContact CD2-CE2 3.71Å; F58-Y107 HydrophobicContact CD2-CE2 3.71Å; F58-Y107 AromaticContact CD2-CZ 3.76Å; F58-Y107 HydrophobicContact CE2-CD2 4.38Å; F58-Y107 HydrophobicContact CE2-CE1 4.37Å; F58-Y107 HydrophobicContact CE2-CE2 4.17Å
59	T	98.7	Very high	98.6	Very high	50 Å²	50	42.6 Å²	42.6	31%	0.307	22%	0.218	S	C	.	.	H	α-helix	trans	-61.9	-43.6	177.6	-63.7	0	0	0	0	111.8	E55 A56 N57 R63	E55-T59 WeakPolarHBondContact O-CB 3.36Å; E55-T59 PolarHBondContact O-N 3.49Å; E55-T59 PolarHBondContact O-OG1 3.3Å; A56-T59 PolarHBondContact O-N 3.23Å; N57-T59 VanDerWaalsContact C-N 3.27Å; N57-T59 PolarHBondContact O-N 3.33Å; T59-R63 WeakPolarHBondContact O-CG 3.33Å; T59-R63 PolarHBondContact O-N 2.84Å
60	A	98.6	Very high	98.5	Very high	35 Å²	35	48.7 Å²	48.7	29%	0.289	24%	0.244	S	C	.	.	H	α-helix	trans	-64.3	-51.3	177.2	0	0	0	0	0	111.8	A56 N57 F58 R62 R63 L64	A56-A60 PolarHBondContact O-N 3.49Å; N57-A60 PolarHBondContact O-N 2.89Å; F58-A60 PolarHBondContact O-N 3.36Å; A60-R62 VanDerWaalsContact C-N 3.35Å; A60-R62 PolarHBondContact O-N 3.22Å; A60-R63 PolarHBondContact O-N 2.82Å; A60-L64 PolarHBondContact O-N 3.45Å
61	C	98.8	Very high	98.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-59.2	-43.9	177.2	-71.7	0	0	0	0	111.9	N57 F58 R63 L64 V65 L78 Y107	N57-C61 WeakPolarHBondContact O-CB 3.32Å; N57-C61 PolarHBondContact O-N 2.82Å; N57-C61 PolarHBondContact O-SG 2.99Å; F58-C61 PolarHBondContact O-N 3.21Å; C61-R63 VanDerWaalsContact C-N 3.3Å; C61-R63 PolarHBondContact O-N 3.07Å; C61-L64 PolarHBondContact O-N 2.82Å; C61-V65 VanDerWaalsContact O-CG2 3.3Å; C61-V65 WeakPolarHBondContact O-CG2 3.2Å; C61-V65 PolarHBondContact O-N 3.26Å; C61-L78 HydrophobicContact CB-CD1 4.02Å; C61-L78 HydrophobicContact CB-CD2 4.32Å; C61-Y107 HydrophobicContact CB-CE1 4.22Å; C61-Y107 WeakPolarHBondContact CB-OH 3.48Å
62	R	98.8	Very high	98.4	Very high	93 Å²	93	50.3 Å²	50.3	35%	0.351	27%	0.269	S	S	.	.	H	α-helix	trans	-57.3	-42.9	177	-176.9	-174.2	72.2	-171.4	-3.3	111.8	F58 A60 V65 Q66 L110	F58-R62 WeakPolarHBondContact O-CB 3.49Å; F58-R62 PolarHBondContact O-N 3.44Å; A60-R62 VanDerWaalsContact C-N 3.35Å; A60-R62 PolarHBondContact O-N 3.22Å; R62-V65 PolarHBondContact O-N 3.46Å; R62-Q66 HydrophobicContact CG-CG 4.46Å; R62-Q66 WeakPolarHBondContact O-CB 3.37Å; R62-Q66 VanDerWaalsContact O-CG 3.26Å; R62-Q66 WeakPolarHBondContact O-CG 3.37Å; R62-Q66 PolarHBondContact O-N 3.39Å; R62-L110 HydrophobicContact CB-CD2 4.17Å; R62-L110 HydrophobicContact CG-CD1 3.91Å; R62-L110 HydrophobicContact CG-CD2 3.94Å
63	R	98.7	Very high	98.4	Very high	165 Å²	165	48.9 Å²	48.9	62%	0.623	26%	0.259	S	S	*	.	H	α-helix	trans	-63.8	-42	178.3	-70.9	175.8	91.4	149.7	5.2	111.6	T59 A60 C61 Q66 A67	T59-R63 WeakPolarHBondContact O-CG 3.33Å; T59-R63 PolarHBondContact O-N 2.84Å; A60-R63 PolarHBondContact O-N 2.82Å; C61-R63 VanDerWaalsContact C-N 3.3Å; C61-R63 PolarHBondContact O-N 3.07Å; R63-Q66 PolarHBondContact O-N 2.93Å; R63-A67 WeakPolarHBondContact O-CB 3.35Å; R63-A67 PolarHBondContact O-N 2.97Å
64	L	98.7	Very high	98.4	Very high	4 Å²	4	46 Å²	46	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-63.4	-45.8	175.1	-69.1	175.4	0	0	0	111.7	C46 V48 A60 C61 Q66 A67 A68 T285	C46-L64 HydrophobicContact CB-CD1 4.07Å; V48-L64 HydrophobicContact CG2-CD1 3.67Å; A60-L64 PolarHBondContact O-N 3.45Å; C61-L64 PolarHBondContact O-N 2.82Å; L64-Q66 VanDerWaalsContact C-N 3.34Å; L64-Q66 PolarHBondContact O-N 2.88Å; L64-A67 PolarHBondContact O-N 3.01Å; L64-A68 VanDerWaalsContact O-CB 3.25Å; L64-A68 WeakPolarHBondContact O-CB 3.5Å; L64-A68 PolarHBondContact O-N 3.01Å; L64-T285 HydrophobicContact CD1-CG2 3.9Å; L64-T285 HydrophobicContact CD2-CG2 4.43Å; L64-T285 HydrophobicContact CG-CG2 4.43Å
65	V	98.9	Very high	98.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.3	-42.5	177.9	175.4	0	0	0	0	111.5	C61 R62 A68 K69 V76 L78 L110 L114 V116 L118	C61-V65 VanDerWaalsContact O-CG2 3.3Å; C61-V65 WeakPolarHBondContact O-CG2 3.2Å; C61-V65 PolarHBondContact O-N 3.26Å; R62-V65 PolarHBondContact O-N 3.46Å; V65-A68 PolarHBondContact O-N 3.18Å; V65-K69 PolarHBondContact O-N 3.31Å; V65-V76 HydrophobicContact CG2-CG1 3.99Å; V65-L78 HydrophobicContact CG2-CD1 4.36Å; V65-L78 HydrophobicContact CG2-CD2 4.39Å; V65-L110 HydrophobicContact CB-CD2 4.1Å; V65-L110 HydrophobicContact CG1-CD2 4.01Å; V65-L110 HydrophobicContact CG1-CG 4.25Å; V65-L110 HydrophobicContact CG2-CD2 4.38Å; V65-L114 HydrophobicContact CG1-CD1 3.74Å; V65-V116 HydrophobicContact CG1-CG1 4.11Å; V65-L118 HydrophobicContact CG1-CD2 3.71Å; V65-L118 HydrophobicContact CG2-CD2 4.05Å
66	Q	98.8	Very high	98.4	Very high	61 Å²	61	40.1 Å²	40.1	29%	0.285	22%	0.219	S	C	.	.	H	α-helix	trans	-61.1	-51.6	176.5	-76.5	174.6	-46.4	0	0	111.5	R62 R63 L64 A68 K69 E70 L114	R62-Q66 HydrophobicContact CG-CG 4.46Å; R62-Q66 WeakPolarHBondContact O-CB 3.37Å; R62-Q66 VanDerWaalsContact O-CG 3.26Å; R62-Q66 WeakPolarHBondContact O-CG 3.37Å; R62-Q66 PolarHBondContact O-N 3.39Å; R63-Q66 PolarHBondContact O-N 2.93Å; L64-Q66 VanDerWaalsContact C-N 3.34Å; L64-Q66 PolarHBondContact O-N 2.88Å; Q66-A68 PolarHBondContact O-N 3.04Å; Q66-K69 WeakPolarHBondContact O-CB 3.42Å; Q66-K69 PolarHBondContact O-N 3.33Å; Q66-E70 WeakPolarHBondContact O-CG 3.31Å; Q66-E70 PolarHBondContact O-N 3.31Å; Q66-L114 HydrophobicContact CG-CD1 3.86Å; Q66-L114 HydrophobicContact CG-CD2 4.4Å
67	A	98.5	Very high	98.4	Very high	18 Å²	18	38 Å²	38	15%	0.149	20%	0.201	C	C	.	.	H	α-helix	trans	-66.9	-27.2	179.6	0	0	0	0	0	112.5	W29 R63 L64 E70 G71 M287	W29-A67 HydrophobicContact CH2-CB 3.34Å; W29-A67 HydrophobicContact CZ2-CB 4.19Å; W29-A67 HydrophobicContact CZ3-CB 4.06Å; R63-A67 WeakPolarHBondContact O-CB 3.35Å; R63-A67 PolarHBondContact O-N 2.97Å; L64-A67 PolarHBondContact O-N 3.01Å; A67-E70 PolarHBondContact O-N 3.47Å; A67-G71 PolarHBondContact O-N 2.79Å; A67-M287 HydrophobicContact CB-CE 4.02Å
68	A	98.5	Very high	98.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-68.1	-43	176.2	0	0	0	0	0	109.6	A44 L64 V65 Q66 G71 G72 A73 V76 M287	A44-A68 HydrophobicContact CB-CB 3.59Å; L64-A68 VanDerWaalsContact O-CB 3.25Å; L64-A68 WeakPolarHBondContact O-CB 3.5Å; L64-A68 PolarHBondContact O-N 3.01Å; V65-A68 PolarHBondContact O-N 3.18Å; Q66-A68 PolarHBondContact O-N 3.04Å; A68-G71 CarbonylContact O-C 3.58Å; A68-G71 WeakPolarHBondContact O-CA 3.45Å; A68-G71 PolarHBondContact O-N 3.27Å; A68-G71 VanDerWaalsContact O-N 3.16Å; A68-G72 PolarHBondContact O-N 2.79Å; A68-A73 HydrophobicContact CB-CB 4Å; A68-A73 WeakPolarHBondContact O-CB 3.29Å; A68-A73 PolarHBondContact O-N 2.91Å; A68-V76 HydrophobicContact CB-CG1 4.29Å; A68-V76 HydrophobicContact CB-CG2 3.53Å; A68-M287 HydrophobicContact CB-CE 3.8Å; A68-M287 HydrophobicContact CB-SD 3.69Å
69	K	98	Very high	98.5	Very high	78 Å²	78	36.9 Å²	36.9	34%	0.339	20%	0.196	S	C	.	.	H	α-helix	trans	-62.7	-42.2	174.2	-179.1	61.7	-177.8	-165.5	0	111.9	V65 Q66 G71 G72 L114 S115 V116	V65-K69 PolarHBondContact O-N 3.31Å; Q66-K69 WeakPolarHBondContact O-CB 3.42Å; Q66-K69 PolarHBondContact O-N 3.33Å; K69-G71 PolarHBondContact O-N 3.08Å; K69-G72 PolarHBondContact O-N 2.83Å; K69-L114 WeakPolarHBondContact CD-O 3.4Å; K69-L114 WeakPolarHBondContact CE-O 3.25Å; K69-L114 HydrophobicContact CG-CB 4.3Å; K69-L114 PolarHBondContact NZ-O 3.36Å; K69-S115 PolarHBondContact NZ-O 2.89Å; K69-V116 HydrophobicContact CD-CB 4.33Å
70	E	97.8	Very high	98.5	Very high	166 Å²	166	35.3 Å²	35.3	78%	0.776	19%	0.185	S	C	*	.	H	α-helix	trans	-60.5	-35.5	173.5	-70.3	168.3	-173.5	0	0	111.7	Q66 A67 G72	Q66-E70 WeakPolarHBondContact O-CG 3.31Å; Q66-E70 PolarHBondContact O-N 3.31Å; A67-E70 PolarHBondContact O-N 3.47Å; E70-G72 PolarHBondContact O-N 3.06Å
71	G	96.6	Very high	98.4	Very high	29 Å²	29	33.8 Å²	33.8	30%	0.299	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	7.1	171.1	0	0	0	0	0	115.4	A67 A68 K69	A67-G71 PolarHBondContact O-N 2.79Å; A68-G71 CarbonylContact O-C 3.58Å; A68-G71 WeakPolarHBondContact O-CA 3.45Å; A68-G71 PolarHBondContact O-N 3.27Å; A68-G71 VanDerWaalsContact O-N 3.16Å; K69-G71 PolarHBondContact O-N 3.08Å
72	G	97.4	Very high	98.4	Very high	47 Å²	47	33.8 Å²	33.8	49%	0.485	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	6.9	176.1	0	0	0	0	0	115.4	A68 K69 E70 S74	A68-G72 PolarHBondContact O-N 2.79Å; K69-G72 PolarHBondContact O-N 2.83Å; E70-G72 PolarHBondContact O-N 3.06Å; G72-S74 PolarHBondContact O-N 2.81Å
73	A	98.3	Very high	98.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	131.6	179.6	0	0	0	0	0	111.9	V42 A44 A68 V76 L289	V42-A73 HydrophobicContact CG1-CB 4.39Å; V42-A73 WeakPolarHBondContact O-CA 3.45Å; A44-A73 HydrophobicContact CB-CB 3.94Å; A68-A73 HydrophobicContact CB-CB 4Å; A68-A73 WeakPolarHBondContact O-CB 3.29Å; A68-A73 PolarHBondContact O-N 2.91Å; A73-V76 HydrophobicContact CB-CG2 4.21Å; A73-L289 HydrophobicContact CB-CD2 4.05Å
74	S	98.1	Very high	98.4	Very high	27 Å²	27	21.6 Å²	21.6	19%	0.189	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-25.6	171.7	61.9	0	0	0	0	111.7	V42 G72 V116 W117 I190	V42-S74 PolarHBondContact O-N 3.31Å; V42-S74 PolarHBondContact O-OG 3.4Å; G72-S74 PolarHBondContact O-N 2.81Å; S74-V116 WeakPolarHBondContact O-CG2 3.16Å; S74-W117 PolarHBondContact O-N 3.48Å; S74-I190 WeakPolarHBondContact OG-CG2 3.28Å
75	M	98.8	Very high	98.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	136.7	177	-171.3	166	-177.2	0	0	111.7	A43 A44 F77 W117 I142 T188 I190 V193	A43-M75 WeakPolarHBondContact CA-O 3.44Å; A44-M75 PolarHBondContact N-O 2.87Å; M75-F77 HydrophobicContact CB-CE2 4.22Å; M75-F77 HydrophobicContact CE-CE1 3.81Å; M75-F77 HydrophobicContact CE-CZ 3.72Å; M75-F77 HydrophobicContact CG-CD2 4.49Å; M75-F77 HydrophobicContact CG-CE2 3.75Å; M75-F77 HydrophobicContact CG-CZ 3.82Å; M75-F77 HydrophobicContact SD-CE1 4.33Å; M75-F77 HydrophobicContact SD-CE2 4.16Å; M75-F77 HydrophobicContact SD-CZ 3.62Å; M75-W117 CarbonylContact C-O 3.5Å; M75-W117 VanDerWaalsContact CA-O 3.31Å; M75-W117 WeakPolarHBondContact CA-O 3.29Å; M75-W117 HydrophobicContact CB-CB 3.9Å; M75-W117 HydrophobicContact CG-CB 3.69Å; M75-W117 HydrophobicContact SD-CB 4.21Å; M75-I142 HydrophobicContact CE-CD1 3.96Å; M75-I142 HydrophobicContact CE-CG2 4.28Å; M75-T188 HydrophobicContact CE-CG2 4.32Å; M75-T188 HydrophobicContact SD-CG2 4.03Å; M75-I190 HydrophobicContact CB-CD1 4.26Å; M75-I190 HydrophobicContact CB-CG1 4.5Å; M75-I190 HydrophobicContact CB-CG2 4.13Å; M75-I190 HydrophobicContact CG-CD1 4.49Å; M75-I190 HydrophobicContact SD-CD1 3.89Å; M75-I190 HydrophobicContact SD-CG1 4.02Å; M75-V193 HydrophobicContact SD-CG2 4.33Å
76	V	98.9	Very high	98.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	131.6	-178.3	-175.7	0	0	0	0	110.2	A44 C46 V65 A68 A73 V116 W117 L118 S119	A44-V76 HydrophobicContact CB-CG1 4.32Å; A44-V76 HydrophobicContact CB-CG2 4.24Å; A44-V76 WeakPolarHBondContact O-CA 3.45Å; C46-V76 VanDerWaalsContact SG-CG1 3.5Å; V65-V76 HydrophobicContact CG2-CG1 3.99Å; A68-V76 HydrophobicContact CB-CG1 4.29Å; A68-V76 HydrophobicContact CB-CG2 3.53Å; A73-V76 HydrophobicContact CB-CG2 4.21Å; V76-V116 HydrophobicContact CG2-CG2 3.9Å; V76-W117 PolarHBondContact N-O 3Å; V76-L118 HydrophobicContact CB-CD2 3.97Å; V76-L118 HydrophobicContact CG2-CD2 4.5Å; V76-L118 WeakPolarHBondContact O-CA 3.15Å; V76-S119 PolarHBondContact O-N 3.46Å
77	F	98.9	Very high	98	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.009	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	116.4	-177.4	-62.3	-98.2	0	0	0	110.1	A43 A44 V45 C46 M75 S119 I190 V193 T219 L249 A251	A43-F77 HydrophobicContact CB-CE2 4.02Å; A44-F77 WeakPolarHBondContact O-CD2 3.43Å; A44-F77 PolarHBondContact O-N 3.16Å; V45-F77 HydrophobicContact CG2-CD2 4.44Å; C46-F77 WeakPolarHBondContact CB-O 3.46Å; C46-F77 PolarHBondContact N-O 2.91Å; M75-F77 HydrophobicContact CB-CE2 4.22Å; M75-F77 HydrophobicContact CE-CE1 3.81Å; M75-F77 HydrophobicContact CE-CZ 3.72Å; M75-F77 HydrophobicContact CG-CD2 4.49Å; M75-F77 HydrophobicContact CG-CE2 3.75Å; M75-F77 HydrophobicContact CG-CZ 3.82Å; M75-F77 HydrophobicContact SD-CE1 4.33Å; M75-F77 HydrophobicContact SD-CE2 4.16Å; M75-F77 HydrophobicContact SD-CZ 3.62Å; F77-S119 VanDerWaalsContact CD1-OG 3.29Å; F77-S119 WeakPolarHBondContact CD1-OG 3.25Å; F77-I190 HydrophobicContact CE2-CD1 3.84Å; F77-I190 HydrophobicContact CZ-CD1 3.64Å; F77-V193 HydrophobicContact CE1-CG1 4.36Å; F77-T219 HydrophobicContact CD1-CG2 3.97Å; F77-T219 HydrophobicContact CE1-CG2 3.59Å; F77-L249 HydrophobicContact CD2-CD1 4.1Å; F77-L249 HydrophobicContact CE1-CD1 4.34Å; F77-L249 HydrophobicContact CE2-CD1 3.52Å; F77-L249 HydrophobicContact CZ-CD1 3.67Å; F77-A251 HydrophobicContact CB-CB 4.1Å; F77-A251 WeakPolarHBondContact O-CB 3.45Å
78	L	98.9	Very high	97.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	150.6	174.2	-64.4	-178.3	0	0	0	110.6	C46 C61 V65 F82 Y107 S119 L120 G121 A251	C46-L78 HydrophobicContact CB-CD2 3.85Å; C61-L78 HydrophobicContact CB-CD1 4.02Å; C61-L78 HydrophobicContact CB-CD2 4.32Å; V65-L78 HydrophobicContact CG2-CD1 4.36Å; V65-L78 HydrophobicContact CG2-CD2 4.39Å; L78-F82 HydrophobicContact CB-CB 4.07Å; L78-F82 HydrophobicContact CB-CG 4.33Å; L78-F82 HydrophobicContact CD1-CD2 4.33Å; L78-Y107 HydrophobicContact CD1-CD1 4.34Å; L78-Y107 HydrophobicContact CD1-CE1 3.55Å; L78-S119 PolarHBondContact N-O 3.45Å; L78-L120 HydrophobicContact CD1-CD2 3.77Å; L78-G121 VanDerWaalsContact O-CA 3.29Å; L78-G121 WeakPolarHBondContact O-CA 3.34Å; L78-G121 PolarHBondContact O-N 2.9Å; L78-G121 VanDerWaalsContact O-N 3.1Å; L78-A251 VanDerWaalsContact C-CB 3.49Å
79	P	98.8	Very high	97.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-73.8	172.8	-172.9	30.4	-37	0	0	0	114	V48 F82 A251 A252 Q253	V48-P79 HydrophobicContact CB-CG 4.04Å; V48-P79 HydrophobicContact CG2-CG 4.15Å; P79-F82 HydrophobicContact CG-CB 4.41Å; P79-F82 WeakPolarHBondContact O-CB 3.01Å; P79-F82 WeakPolarHBondContact O-CD1 3.36Å; P79-F82 PolarHBondContact O-N 3.48Å; P79-A251 HydrophobicContact CB-CB 4.26Å; P79-A252 VanDerWaalsContact CB-C 3.41Å; P79-Q253 HydrophobicContact CB-CG 4.17Å; P79-Q253 HydrophobicContact CG-CG 4.37Å
80	E	98.6	Very high	97.3	Very high	17 Å²	17	32.7 Å²	32.7	8%	0.079	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	138	164.5	179	-176.8	-141.5	0	0	109.6	F82 N138 K155 I197 C198 A223 Q253	E80-F82 VanDerWaalsContact C-N 3.28Å; E80-F82 PolarHBondContact O-N 3.04Å; E80-N138 PolarHBondContact OE1-ND2 3.03Å; E80-K155 IonicContact OE1-NZ 3.14Å; E80-K155 PolarHBondContact OE1-NZ 3.16Å; E80-I197 HydrophobicContact CB-CG2 4.17Å; E80-I197 HydrophobicContact CG-CG2 3.94Å; E80-I197 WeakPolarHBondContact OE1-CG2 3.22Å; E80-C198 WeakPolarHBondContact OE2-CB 3.24Å; E80-C198 PolarHBondContact OE2-SG 2.9Å; E80-A223 PolarHBondContact OE2-N 2.85Å; E80-Q253 VanDerWaalsContact O-CG 3.24Å; E80-Q253 WeakPolarHBondContact O-CG 3.49Å; E80-Q253 PolarHBondContact O-NE2 3.16Å
81	G	98.3	Very high	97.2	Very high	3 Å²	3	27.9 Å²	27.9	3%	0.031	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	27.5	-177.6	0	0	0	0	0	114	A50 D83 Y84 G122 Q253	A50-G81 WeakPolarHBondContact CB-O 3.33Å; G81-D83 WeakPolarHBondContact CA-OD1 3.38Å; G81-D83 PolarHBondContact O-N 2.76Å; G81-Y84 CarbonylContact O-C 3.58Å; G81-Y84 PolarHBondContact O-N 2.8Å; G81-G122 WeakPolarHBondContact CA-O 3.09Å; G81-G122 PolarHBondContact N-O 2.98Å; G81-Q253 VanDerWaalsContact C-NE2 3.3Å; G81-Q253 PolarHBondContact O-NE2 3.15Å
82	F	98.8	Very high	97.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.155	C	C	.	.	S	Bend	trans	-60.9	-24.9	176.7	72	-83.9	0	0	0	112.9	L78 P79 E80 I104 Y107 L120 F123	L78-F82 HydrophobicContact CB-CB 4.07Å; L78-F82 HydrophobicContact CB-CG 4.33Å; L78-F82 HydrophobicContact CD1-CD2 4.33Å; P79-F82 HydrophobicContact CG-CB 4.41Å; P79-F82 WeakPolarHBondContact O-CB 3.01Å; P79-F82 WeakPolarHBondContact O-CD1 3.36Å; P79-F82 PolarHBondContact O-N 3.48Å; E80-F82 VanDerWaalsContact C-N 3.28Å; E80-F82 PolarHBondContact O-N 3.04Å; F82-I104 HydrophobicContact CZ-CD1 4.35Å; F82-Y107 AromaticContact CD2-CE2 3.78Å; F82-Y107 HydrophobicContact CD2-CE2 3.78Å; F82-Y107 AromaticContact CD2-CZ 3.73Å; F82-Y107 AromaticContact CE2-CD2 3.84Å; F82-Y107 HydrophobicContact CE2-CD2 3.84Å; F82-Y107 AromaticContact CE2-CE2 3.34Å; F82-Y107 HydrophobicContact CE2-CE2 3.34Å; F82-Y107 AromaticContact CE2-CZ 3.77Å; F82-L120 HydrophobicContact CD1-CB 4.29Å; F82-L120 HydrophobicContact CE1-CB 3.61Å; F82-L120 HydrophobicContact CE2-CB 4.47Å; F82-L120 HydrophobicContact CE2-CD1 4.32Å; F82-L120 HydrophobicContact CE2-CD2 4.23Å; F82-L120 HydrophobicContact CZ-CB 3.72Å; F82-L120 HydrophobicContact CZ-CD1 3.91Å; F82-L120 HydrophobicContact CZ-CD2 4.29Å; F82-L120 HydrophobicContact CZ-CG 4.2Å; F82-F123 HydrophobicContact CE1-CB 3.82Å; F82-F123 HydrophobicContact CZ-CB 4.04Å; F82-F123 HydrophobicContact CZ-CD2 4.27Å
83	D	98.6	Very high	97.2	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	13%	0.134	C	C	.	.	S	Bend	trans	-72.2	-50.4	177.3	54.8	-17.4	0	0	0	110.5	N57 G81 I103 F123 H124	N57-D83 PolarHBondContact ND2-O 2.94Å; G81-D83 WeakPolarHBondContact CA-OD1 3.38Å; G81-D83 PolarHBondContact O-N 2.76Å; D83-I103 HydrophobicContact CB-CG1 4.41Å; D83-F123 HydrophobicContact CB-CD2 4.12Å; D83-F123 WeakPolarHBondContact OD2-CD2 3.36Å; D83-H124 IonicContact OD1-CE1 3.06Å; D83-H124 IonicContact OD1-ND1 2.87Å; D83-H124 PolarHBondContact OD1-ND1 3.44Å; D83-H124 WeakPolarHBondContact OD2-CB 3.31Å; D83-H124 IonicContact OD2-CG 3.94Å; D83-H124 PolarHBondContact OD2-N 2.88Å; D83-H124 IonicContact OD2-ND1 3.94Å; D83-H124 PolarHBondContact OD2-ND1 3.48Å; D83-H124 VanDerWaalsContact OD2-ND1 3.15Å
84	Y	98.6	Very high	97.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.155	C	C	.	.			trans	-168.9	165.1	171.8	61.6	-84.6	0	0	0	112.5	T51 K54 N57 G81 T92 L95 S96 H124	T51-Y84 VanDerWaalsContact O-CA 3.31Å; T51-Y84 WeakPolarHBondContact O-CA 3.48Å; T51-Y84 VanDerWaalsContact O-CB 3.24Å; T51-Y84 WeakPolarHBondContact O-CB 3.4Å; K54-Y84 HydrophobicContact CD-CD1 4.03Å; K54-Y84 HydrophobicContact CG-CD1 4Å; K54-Y84 HydrophobicContact CG-CG 4.31Å; N57-Y84 VanDerWaalsContact ND2-CA 3.32Å; N57-Y84 WeakPolarHBondContact ND2-CA 3.48Å; G81-Y84 CarbonylContact O-C 3.58Å; G81-Y84 PolarHBondContact O-N 2.8Å; Y84-T92 HydrophobicContact CE2-CG2 4.08Å; Y84-T92 PolarHBondContact OH-O 3.36Å; Y84-L95 HydrophobicContact CD1-CB 4.06Å; Y84-L95 HydrophobicContact CD2-CB 4.08Å; Y84-L95 HydrophobicContact CD2-CD1 3.83Å; Y84-L95 HydrophobicContact CE1-CB 3.71Å; Y84-L95 WeakPolarHBondContact CE1-O 3.46Å; Y84-L95 HydrophobicContact CE2-CB 3.78Å; Y84-L95 HydrophobicContact CE2-CD1 4.23Å; Y84-L95 HydrophobicContact CG-CB 4.24Å; Y84-L95 HydrophobicContact CG-CD1 4.09Å; Y84-S96 WeakPolarHBondContact OH-CA 3.41Å; Y84-S96 PolarHBondContact OH-N 2.83Å; Y84-S96 VanDerWaalsContact OH-N 3.16Å; Y84-H124 HydrophobicContact CE1-CB 3.97Å; Y84-H124 AromaticContact CE1-ND1 3.87Å; Y84-H124 AromaticContact CE2-ND1 3.99Å; Y84-H124 AromaticContact CZ-CG 3.58Å; Y84-H124 AromaticContact CZ-ND1 3.67Å; Y84-H124 PolarHBondContact O-CE1 2.99Å; Y84-H124 WeakPolarHBondContact OH-CB 3.3Å; Y84-H124 VanDerWaalsContact OH-CG 3.27Å
85	I	97.8	Very high	97.1	Very high	15 Å²	15	30.4 Å²	30.4	8%	0.077	16%	0.159	C	C	.	.			trans	-124.4	108.6	162.8	-63.4	-174.9	0	0	0	107.8	A50 T51 P52 A223 Q253 H257 R261	A50-I85 HydrophobicContact CB-CG1 4.14Å; T51-I85 CarbonylContact C-O 3.44Å; T51-I85 PolarHBondContact O-N 3.27Å; T51-I85 VanDerWaalsContact O-N 3.09Å; P52-I85 VanDerWaalsContact CD-O 3.3Å; P52-I85 WeakPolarHBondContact CD-O 3.39Å; P52-I85 WeakPolarHBondContact CG-O 3.33Å; I85-A223 HydrophobicContact CD1-CB 4.46Å; I85-Q253 HydrophobicContact CD1-CG 3.89Å; I85-H257 HydrophobicContact CB-CB 4.26Å; I85-H257 WeakPolarHBondContact CD1-ND1 3.43Å; I85-H257 HydrophobicContact CG2-CB 4.07Å; I85-R261 HydrophobicContact CG2-CG 4.24Å
86	G	95.9	Very high	97.1	Very high	11 Å²	11	30.4 Å²	30.4	11%	0.113	16%	0.159	C	C	.	.			trans	-73.8	147.8	-178.4	0	0	0	0	0	112.7	S88 H258	G86-S88 VanDerWaalsContact C-N 3.3Å; G86-H258 PolarHBondContact O-NE2 2.8Å
87	S	93.9	Very high	97	Very high	58 Å²	58	32.1 Å²	32.1	41%	0.406	17%	0.167	S	C	.	.	S	Bend	trans	-78.3	-16	-179.8	-45.6	0	0	0	0	113.1	P52 E91	P52-S87 VanDerWaalsContact CG-OG 3.27Å; P52-S87 WeakPolarHBondContact CG-OG 3.19Å; S87-E91 WeakPolarHBondContact CA-OE2 3.47Å; S87-E91 WeakPolarHBondContact CB-OE2 3.36Å; S87-E91 PolarHBondContact N-OE2 2.88Å; S87-E91 PolarHBondContact OG-OE2 2.89Å
88	S	92.9	Very high	97	Very high	60 Å²	60	37.8 Å²	37.8	42%	0.42	19%	0.188	S	C	.	.	S	Bend	trans	-147.7	161.8	178.4	72.3	0	0	0	0	110.9	G86 E90 E91 T92	G86-S88 VanDerWaalsContact C-N 3.3Å; S88-E90 VanDerWaalsContact C-N 3.3Å; S88-E90 PolarHBondContact O-N 3.28Å; S88-E91 PolarHBondContact O-N 3Å; S88-E91 WeakPolarHBondContact OG-CB 3.42Å; S88-E91 PolarHBondContact OG-N 3.49Å; S88-E91 VanDerWaalsContact OG-N 3.12Å; S88-T92 PolarHBondContact O-N 2.83Å; S88-T92 PolarHBondContact O-OG1 3.44Å
89	R	92.6	Very high	96.9	Very high	130 Å²	130	39.7 Å²	39.7	49%	0.491	20%	0.198	S	C	.	.	H	α-helix	trans	-55.2	-45.9	173.5	175	-177.2	170.8	160.1	7.4	111.7	T92 L93 A174 F175	R89-T92 PolarHBondContact O-N 3.43Å; R89-L93 HydrophobicContact CG-CD1 4.05Å; R89-L93 HydrophobicContact CG-CG 4.42Å; R89-L93 VanDerWaalsContact O-CG 3.29Å; R89-L93 WeakPolarHBondContact O-CG 3.32Å; R89-L93 PolarHBondContact O-N 3.18Å; R89-A174 PolarHBondContact NH1-O 2.78Å; R89-A174 PolarHBondContact NH2-O 2.99Å; R89-F175 HydrophobicContact CG-CB 4.37Å; R89-F175 HydrophobicContact CG-CD1 4.03Å; R89-F175 HydrophobicContact CG-CG 4.14Å
90	E	95.1	Very high	96.8	Very high	121 Å²	121	45.5 Å²	45.5	57%	0.565	23%	0.234	S	C	*	.	H	α-helix	trans	-66.1	-42.5	-177	-178	169.9	-164.5	0	0	111.7	S88 L93 N94	S88-E90 VanDerWaalsContact C-N 3.3Å; S88-E90 PolarHBondContact O-N 3.28Å; E90-L93 PolarHBondContact O-N 2.93Å; E90-N94 WeakPolarHBondContact O-CB 3.3Å; E90-N94 PolarHBondContact O-N 3.42Å; E90-N94 PolarHBondContact O-ND2 3.14Å
91	E	96.1	Very high	96.7	Very high	64 Å²	64	45.4 Å²	45.4	30%	0.299	24%	0.237	S	C	.	.	H	α-helix	trans	-60.7	-45.5	174	-176	171.6	-116.2	0	0	111.1	S87 S88 L93 N94 L95	S87-E91 WeakPolarHBondContact CA-OE2 3.47Å; S87-E91 WeakPolarHBondContact CB-OE2 3.36Å; S87-E91 PolarHBondContact N-OE2 2.88Å; S87-E91 PolarHBondContact OG-OE2 2.89Å; S88-E91 PolarHBondContact O-N 3Å; S88-E91 WeakPolarHBondContact OG-CB 3.42Å; S88-E91 PolarHBondContact OG-N 3.49Å; S88-E91 VanDerWaalsContact OG-N 3.12Å; E91-L93 VanDerWaalsContact C-N 3.35Å; E91-L93 PolarHBondContact O-N 3.19Å; E91-N94 PolarHBondContact O-N 3.41Å; E91-L95 HydrophobicContact CG-CD1 3.77Å; E91-L95 HydrophobicContact CG-CG 4.29Å; E91-L95 WeakPolarHBondContact O-CB 3.37Å; E91-L95 WeakPolarHBondContact O-CG 3.38Å; E91-L95 PolarHBondContact O-N 3.17Å
92	T	95.9	Very high	96.7	Very high	13 Å²	13	49.1 Å²	49.1	8%	0.08	26%	0.256	C	S	.	.	H	α-helix	trans	-57.1	-48.3	174.9	-64.4	0	0	0	0	111.6	Y84 S88 R89 N94 L95 S96 I136 F175	Y84-T92 HydrophobicContact CE2-CG2 4.08Å; Y84-T92 PolarHBondContact OH-O 3.36Å; S88-T92 PolarHBondContact O-N 2.83Å; S88-T92 PolarHBondContact O-OG1 3.44Å; R89-T92 PolarHBondContact O-N 3.43Å; T92-N94 PolarHBondContact O-N 2.81Å; T92-L95 PolarHBondContact O-N 3.34Å; T92-S96 PolarHBondContact O-N 3.47Å; T92-I136 HydrophobicContact CG2-CD1 3.98Å; T92-F175 HydrophobicContact CG2-CE2 4.13Å
93	L	96.9	Very high	96.7	Very high	9 Å²	9	49.3 Å²	49.3	5%	0.047	26%	0.257	C	S	.	.	H	α-helix	trans	-62.8	-43.4	178.8	-69.7	179.8	0	0	0	111.7	R89 E90 E91 L95 S96 W130 R134 I136 F175	R89-L93 HydrophobicContact CG-CD1 4.05Å; R89-L93 HydrophobicContact CG-CG 4.42Å; R89-L93 VanDerWaalsContact O-CG 3.29Å; R89-L93 WeakPolarHBondContact O-CG 3.32Å; R89-L93 PolarHBondContact O-N 3.18Å; E90-L93 PolarHBondContact O-N 2.93Å; E91-L93 VanDerWaalsContact C-N 3.35Å; E91-L93 PolarHBondContact O-N 3.19Å; L93-L95 PolarHBondContact O-N 2.89Å; L93-S96 WeakPolarHBondContact O-CB 3.36Å; L93-S96 PolarHBondContact O-N 3.27Å; L93-S96 PolarHBondContact O-OG 3.38Å; L93-W130 HydrophobicContact CB-CH2 3.94Å; L93-W130 HydrophobicContact CD2-CH2 4.22Å; L93-W130 HydrophobicContact CD2-CZ3 4.05Å; L93-W130 WeakPolarHBondContact O-CH2 3.3Å; L93-R134 WeakPolarHBondContact CD1-O 3.41Å; L93-R134 VanDerWaalsContact CD2-O 3.23Å; L93-R134 WeakPolarHBondContact CD2-O 3.33Å; L93-I136 HydrophobicContact CD2-CD1 4.46Å; L93-I136 HydrophobicContact CD2-CG1 4.35Å; L93-I136 HydrophobicContact CD2-CG2 3.81Å; L93-F175 HydrophobicContact CD2-CB 4.31Å; L93-F175 HydrophobicContact CD2-CD2 4.26Å
94	N	97.1	Very high	96.7	Very high	85 Å²	85	49.3 Å²	49.3	46%	0.455	26%	0.258	S	S	.	.	H	α-helix	trans	-67.2	-35.1	-177.4	-69.2	-15.6	0	0	0	113.1	E90 E91 T92 S96 R134	E90-N94 WeakPolarHBondContact O-CB 3.3Å; E90-N94 PolarHBondContact O-N 3.42Å; E90-N94 PolarHBondContact O-ND2 3.14Å; E91-N94 PolarHBondContact O-N 3.41Å; T92-N94 PolarHBondContact O-N 2.81Å; N94-S96 VanDerWaalsContact C-N 3.35Å; N94-R134 PolarHBondContact OD1-NH2 2.9Å
95	L	97.8	Very high	96.7	Very high	49 Å²	49	51.7 Å²	51.7	26%	0.257	27%	0.274	S	S	.	.	H	α-helix	trans	-79.9	-14	179.5	-68.6	177.4	0	0	0	113.9	P52 K54 Y84 E91 T92 L93	P52-L95 HydrophobicContact CB-CD1 4.38Å; K54-L95 HydrophobicContact CD-CB 4.3Å; K54-L95 HydrophobicContact CD-CD2 4.08Å; K54-L95 PolarHBondContact NZ-O 2.94Å; Y84-L95 HydrophobicContact CD1-CB 4.06Å; Y84-L95 HydrophobicContact CD2-CB 4.08Å; Y84-L95 HydrophobicContact CD2-CD1 3.83Å; Y84-L95 HydrophobicContact CE1-CB 3.71Å; Y84-L95 WeakPolarHBondContact CE1-O 3.46Å; Y84-L95 HydrophobicContact CE2-CB 3.78Å; Y84-L95 HydrophobicContact CE2-CD1 4.23Å; Y84-L95 HydrophobicContact CG-CB 4.24Å; Y84-L95 HydrophobicContact CG-CD1 4.09Å; E91-L95 HydrophobicContact CG-CD1 3.77Å; E91-L95 HydrophobicContact CG-CG 4.29Å; E91-L95 WeakPolarHBondContact O-CB 3.37Å; E91-L95 WeakPolarHBondContact O-CG 3.38Å; E91-L95 PolarHBondContact O-N 3.17Å; T92-L95 PolarHBondContact O-N 3.34Å; L93-L95 PolarHBondContact O-N 2.89Å
96	S	98.1	Very high	96.8	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.282	C	S	.	.			trans	-62.2	151.2	178	72.2	0	0	0	0	112.4	Y84 T92 L93 N94 H124 R126 W130	Y84-S96 WeakPolarHBondContact OH-CA 3.41Å; Y84-S96 PolarHBondContact OH-N 2.83Å; Y84-S96 VanDerWaalsContact OH-N 3.16Å; T92-S96 PolarHBondContact O-N 3.47Å; L93-S96 WeakPolarHBondContact O-CB 3.36Å; L93-S96 PolarHBondContact O-N 3.27Å; L93-S96 PolarHBondContact O-OG 3.38Å; N94-S96 VanDerWaalsContact C-N 3.35Å; S96-H124 WeakPolarHBondContact CB-O 3.38Å; S96-R126 VanDerWaalsContact O-CZ 3.29Å; S96-R126 PolarHBondContact O-NE 3.17Å; S96-R126 PolarHBondContact O-NH2 2.91Å; S96-R126 VanDerWaalsContact OG-CG 3.23Å; S96-R126 WeakPolarHBondContact OG-CG 3.26Å; S96-R126 PolarHBondContact OG-NE 2.95Å; S96-W130 WeakPolarHBondContact OG-CH2 3.16Å
97	E	98.1	Very high	96.9	Very high	37 Å²	37	53.5 Å²	53.5	17%	0.173	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-134.4	161.9	-177.5	-80.4	-179.2	-135.6	0	0	111	K54 G101 D102 I103 F123 H124 E125 R126	K54-E97 IonicContact NZ-OE1 3.84Å; K54-E97 PolarHBondContact NZ-OE1 3.3Å; E97-G101 VanDerWaalsContact OE2-C 3.29Å; E97-G101 VanDerWaalsContact OE2-CA 3.29Å; E97-G101 WeakPolarHBondContact OE2-CA 3.21Å; E97-D102 PolarHBondContact OE2-N 3.25Å; E97-I103 PolarHBondContact OE2-N 2.87Å; E97-I103 VanDerWaalsContact OE2-N 3.08Å; E97-F123 HydrophobicContact CB-CE2 4.27Å; E97-F123 HydrophobicContact CB-CZ 3.71Å; E97-F123 WeakPolarHBondContact O-CZ 3.43Å; E97-H124 PolarHBondContact N-O 2.89Å; E97-E125 CarbonylContact O-C 3.54Å; E97-E125 WeakPolarHBondContact O-CA 3.44Å; E97-R126 PolarHBondContact O-N 2.92Å
98	R	97.9	Very high	97.1	Very high	120 Å²	120	52 Å²	52	45%	0.453	27%	0.265	S	S	.	.			trans	-75.3	164.6	167.4	-68.4	-177.3	174.6	132.7	7.4	109.4	T100 G101 R126 E131	R98-T100 PolarHBondContact O-N 3.26Å; R98-T100 VanDerWaalsContact O-N 3.15Å; R98-G101 WeakPolarHBondContact O-CA 3.23Å; R98-G101 PolarHBondContact O-N 3.48Å; R98-R126 HydrophobicContact CG-CB 4.15Å; R98-E131 IonicContact NH2-OE1 3.04Å; R98-E131 PolarHBondContact NH2-OE1 2.93Å
99	L	97.3	Very high	97.4	Very high	40 Å²	40	54.8 Å²	54.8	21%	0.209	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-25.1	173.1	-66.9	175	0	0	0	113.4	G101 I104 F123 E125 I141 V152	L99-G101 PolarHBondContact O-N 3.48Å; L99-I104 WeakPolarHBondContact O-CB 3.3Å; L99-I104 VanDerWaalsContact O-CG2 3.3Å; L99-I104 WeakPolarHBondContact O-CG2 3.39Å; L99-F123 HydrophobicContact CD2-CD1 4.03Å; L99-F123 HydrophobicContact CD2-CE1 4.14Å; L99-E125 WeakPolarHBondContact CD1-OE1 3.33Å; L99-E125 HydrophobicContact CD2-CG 4.22Å; L99-E125 HydrophobicContact CG-CG 4.04Å; L99-E125 WeakPolarHBondContact CG-OE1 3.48Å; L99-I141 HydrophobicContact CD2-CD1 3.46Å; L99-I141 VanDerWaalsContact CD2-CD1 3.46Å; L99-I141 HydrophobicContact CD2-CG1 4.1Å; L99-V152 HydrophobicContact CD1-CG1 4.46Å; L99-V152 HydrophobicContact CD1-CG2 4.1Å
100	T	96.7	Very high	97.7	Very high	122 Å²	122	49.1 Å²	49.1	75%	0.748	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	8.6	173.8	55.2	0	0	0	0	113.4	R98	R98-T100 PolarHBondContact O-N 3.26Å; R98-T100 VanDerWaalsContact O-N 3.15Å
101	G	97.5	Very high	97.9	Very high	15 Å²	15	43.3 Å²	43.3	16%	0.155	23%	0.227	C	C	.	.	S	Bend	trans	-69.5	173.5	179.8	0	0	0	0	0	113.7	E97 R98 L99 S105	E97-G101 VanDerWaalsContact OE2-C 3.29Å; E97-G101 VanDerWaalsContact OE2-CA 3.29Å; E97-G101 WeakPolarHBondContact OE2-CA 3.21Å; R98-G101 WeakPolarHBondContact O-CA 3.23Å; R98-G101 PolarHBondContact O-N 3.48Å; L99-G101 PolarHBondContact O-N 3.48Å; G101-S105 WeakPolarHBondContact O-CB 3.12Å; G101-S105 PolarHBondContact O-N 2.97Å; G101-S105 VanDerWaalsContact O-N 3.15Å; G101-S105 PolarHBondContact O-OG 2.99Å
102	D	98.1	Very high	98	Very high	81 Å²	81	46.5 Å²	46.5	43%	0.433	24%	0.24	S	C	.	.	H	α-helix	trans	-64.2	-45.3	-178.1	176	54.1	0	0	0	111.1	E97 I104 S105 R106	E97-D102 PolarHBondContact OE2-N 3.25Å; D102-I104 PolarHBondContact O-N 3.49Å; D102-S105 WeakPolarHBondContact O-CB 3.25Å; D102-S105 PolarHBondContact O-N 3.3Å; D102-S105 VanDerWaalsContact O-N 3.16Å; D102-R106 VanDerWaalsContact CG-NE 3.33Å; D102-R106 WeakPolarHBondContact O-CG 3.33Å; D102-R106 PolarHBondContact O-N 3.4Å; D102-R106 IonicContact OD1-CZ 3.01Å; D102-R106 IonicContact OD1-NE 3.91Å; D102-R106 PolarHBondContact OD1-NE 2.93Å; D102-R106 VanDerWaalsContact OD1-NE 3.16Å; D102-R106 IonicContact OD1-NH2 3.21Å; D102-R106 IonicContact OD2-CZ 3.9Å; D102-R106 IonicContact OD2-NE 3.71Å; D102-R106 PolarHBondContact OD2-NE 3.44Å; D102-R106 IonicContact OD2-NH2 3.45Å; D102-R106 PolarHBondContact OD2-NH2 2.91Å
103	I	98.4	Very high	98.2	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.021	27%	0.27	C	S	.	.	H	α-helix	trans	-62.9	-45	-174.3	-167.4	63.2	0	0	0	111.9	F58 D83 E97 R106 Y107 F123	F58-I103 HydrophobicContact CB-CD1 4.01Å; F58-I103 HydrophobicContact CD2-CD1 4.04Å; F58-I103 HydrophobicContact CG-CD1 4.29Å; D83-I103 HydrophobicContact CB-CG1 4.41Å; E97-I103 PolarHBondContact OE2-N 2.87Å; E97-I103 VanDerWaalsContact OE2-N 3.08Å; I103-R106 PolarHBondContact O-N 3.39Å; I103-Y107 HydrophobicContact CD1-CE2 3.99Å; I103-Y107 HydrophobicContact CG1-CD2 4.33Å; I103-Y107 HydrophobicContact CG1-CE2 4.03Å; I103-Y107 VanDerWaalsContact O-CD2 3.23Å; I103-Y107 WeakPolarHBondContact O-CD2 3.26Å; I103-Y107 PolarHBondContact O-N 3.13Å; I103-F123 HydrophobicContact CG2-CD2 4.2Å; I103-F123 HydrophobicContact CG2-CE2 3.37Å; I103-F123 HydrophobicContact CG2-CZ 3.99Å
104	I	98.6	Very high	98.3	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-66.6	-40.5	176.9	-63.4	-57.4	0	0	0	110.6	F82 L99 D102 R106 Y107 T108 L120 F123 I141 I149	F82-I104 HydrophobicContact CZ-CD1 4.35Å; L99-I104 WeakPolarHBondContact O-CB 3.3Å; L99-I104 VanDerWaalsContact O-CG2 3.3Å; L99-I104 WeakPolarHBondContact O-CG2 3.39Å; D102-I104 PolarHBondContact O-N 3.49Å; I104-R106 PolarHBondContact O-N 3.4Å; I104-Y107 PolarHBondContact O-N 2.92Å; I104-T108 HydrophobicContact CG2-CG2 4.29Å; I104-T108 WeakPolarHBondContact O-CG2 3.49Å; I104-T108 PolarHBondContact O-N 3.13Å; I104-L120 HydrophobicContact CD1-CD1 3.84Å; I104-F123 HydrophobicContact CD1-CB 4.44Å; I104-F123 HydrophobicContact CD1-CD1 4.07Å; I104-F123 HydrophobicContact CD1-CD2 3.96Å; I104-F123 HydrophobicContact CD1-CE1 4.28Å; I104-F123 HydrophobicContact CD1-CE2 4.22Å; I104-F123 HydrophobicContact CD1-CG 3.89Å; I104-F123 HydrophobicContact CD1-CZ 4.34Å; I104-F123 HydrophobicContact CG1-CD1 4.15Å; I104-F123 HydrophobicContact CG1-CD2 4.35Å; I104-F123 HydrophobicContact CG1-CE1 3.87Å; I104-F123 HydrophobicContact CG1-CE2 4.13Å; I104-F123 HydrophobicContact CG1-CG 4.37Å; I104-F123 HydrophobicContact CG1-CZ 3.84Å; I104-I141 HydrophobicContact CD1-CD1 3.56Å; I104-I141 HydrophobicContact CG1-CD1 4.3Å; I104-I149 HydrophobicContact CG2-CD1 3.84Å
105	S	98.7	Very high	98.3	Very high	49 Å²	49	54.1 Å²	54.1	34%	0.343	28%	0.277	S	S	.	.	H	α-helix	trans	-58.8	-35.3	175.5	-61.1	0	0	0	0	112.6	G101 D102 T108 L109	G101-S105 WeakPolarHBondContact O-CB 3.12Å; G101-S105 PolarHBondContact O-N 2.97Å; G101-S105 VanDerWaalsContact O-N 3.15Å; G101-S105 PolarHBondContact O-OG 2.99Å; D102-S105 WeakPolarHBondContact O-CB 3.25Å; D102-S105 PolarHBondContact O-N 3.3Å; D102-S105 VanDerWaalsContact O-N 3.16Å; S105-T108 WeakPolarHBondContact CA-OG1 3.44Å; S105-T108 PolarHBondContact O-OG1 2.99Å; S105-L109 WeakPolarHBondContact O-CB 3.42Å; S105-L109 VanDerWaalsContact O-CG 3.26Å; S105-L109 WeakPolarHBondContact O-CG 3.42Å; S105-L109 PolarHBondContact O-N 3.48Å; S105-L109 VanDerWaalsContact O-N 3.13Å
106	R	98.8	Very high	98.4	Very high	64 Å²	64	51.8 Å²	51.8	24%	0.242	27%	0.266	C	S	.	.	H	α-helix	trans	-69.1	-38.1	174.7	-67.1	174.1	-174.8	-161.2	15.2	112.4	E55 F58 D102 I103 I104 L110	E55-R106 IonicContact OE1-CZ 2.53Å; E55-R106 IonicContact OE1-NH1 2.91Å; E55-R106 PolarHBondContact OE1-NH1 2.8Å; E55-R106 IonicContact OE1-NH2 2.87Å; E55-R106 PolarHBondContact OE1-NH2 2.59Å; E55-R106 IonicContact OE2-CZ 3.53Å; E55-R106 IonicContact OE2-NH1 3.15Å; E55-R106 PolarHBondContact OE2-NH1 2.77Å; E55-R106 IonicContact OE2-NH2 2.82Å; F58-R106 HydrophobicContact CD2-CB 4.32Å; F58-R106 HydrophobicContact CE1-CB 4.45Å; F58-R106 HydrophobicContact CE2-CB 3.6Å; F58-R106 HydrophobicContact CZ-CB 3.68Å; F58-R106 HydrophobicContact CZ-CG 4.44Å; D102-R106 VanDerWaalsContact CG-NE 3.33Å; D102-R106 WeakPolarHBondContact O-CG 3.33Å; D102-R106 PolarHBondContact O-N 3.4Å; D102-R106 IonicContact OD1-CZ 3.01Å; D102-R106 IonicContact OD1-NE 3.91Å; D102-R106 PolarHBondContact OD1-NE 2.93Å; D102-R106 VanDerWaalsContact OD1-NE 3.16Å; D102-R106 IonicContact OD1-NH2 3.21Å; D102-R106 IonicContact OD2-CZ 3.9Å; D102-R106 IonicContact OD2-NE 3.71Å; D102-R106 PolarHBondContact OD2-NE 3.44Å; D102-R106 IonicContact OD2-NH2 3.45Å; D102-R106 PolarHBondContact OD2-NH2 2.91Å; I103-R106 PolarHBondContact O-N 3.39Å; I104-R106 PolarHBondContact O-N 3.4Å; R106-L110 WeakPolarHBondContact O-CB 3.32Å; R106-L110 PolarHBondContact O-N 3.34Å
107	Y	98.9	Very high	98.4	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-71.1	-36	175.8	-78.8	-75.5	0	0	0	112.9	F58 C61 L78 F82 I103 I104 L110 A111 L118 L120	F58-Y107 HydrophobicContact CD2-CD2 4.32Å; F58-Y107 HydrophobicContact CD2-CE1 4.34Å; F58-Y107 AromaticContact CD2-CE2 3.71Å; F58-Y107 HydrophobicContact CD2-CE2 3.71Å; F58-Y107 AromaticContact CD2-CZ 3.76Å; F58-Y107 HydrophobicContact CE2-CD2 4.38Å; F58-Y107 HydrophobicContact CE2-CE1 4.37Å; F58-Y107 HydrophobicContact CE2-CE2 4.17Å; C61-Y107 HydrophobicContact CB-CE1 4.22Å; C61-Y107 WeakPolarHBondContact CB-OH 3.48Å; L78-Y107 HydrophobicContact CD1-CD1 4.34Å; L78-Y107 HydrophobicContact CD1-CE1 3.55Å; F82-Y107 AromaticContact CD2-CE2 3.78Å; F82-Y107 HydrophobicContact CD2-CE2 3.78Å; F82-Y107 AromaticContact CD2-CZ 3.73Å; F82-Y107 AromaticContact CE2-CD2 3.84Å; F82-Y107 HydrophobicContact CE2-CD2 3.84Å; F82-Y107 AromaticContact CE2-CE2 3.34Å; F82-Y107 HydrophobicContact CE2-CE2 3.34Å; F82-Y107 AromaticContact CE2-CZ 3.77Å; I103-Y107 HydrophobicContact CD1-CE2 3.99Å; I103-Y107 HydrophobicContact CG1-CD2 4.33Å; I103-Y107 HydrophobicContact CG1-CE2 4.03Å; I103-Y107 VanDerWaalsContact O-CD2 3.23Å; I103-Y107 WeakPolarHBondContact O-CD2 3.26Å; I103-Y107 PolarHBondContact O-N 3.13Å; I104-Y107 PolarHBondContact O-N 2.92Å; Y107-L110 HydrophobicContact CD1-CD2 4.31Å; Y107-L110 PolarHBondContact O-N 3.24Å; Y107-A111 WeakPolarHBondContact O-CB 3.22Å; Y107-A111 PolarHBondContact O-N 2.94Å; Y107-L118 HydrophobicContact CD1-CD1 3.96Å; Y107-L120 HydrophobicContact CD1-CD2 3.86Å; Y107-L120 HydrophobicContact CD2-CD1 4.32Å; Y107-L120 HydrophobicContact CE1-CD2 4.22Å; Y107-L120 HydrophobicContact CG-CD1 4.07Å; Y107-L120 HydrophobicContact CG-CD2 4.04Å
108	T	98.9	Very high	98.4	Very high	28 Å²	28	51.3 Å²	51.3	17%	0.172	26%	0.262	C	S	.	.	H	α-helix	trans	-63	-43.9	173.3	59.1	0	0	0	0	111.3	I104 S105 L110 A111 K112 I143 G147 I149	I104-T108 HydrophobicContact CG2-CG2 4.29Å; I104-T108 WeakPolarHBondContact O-CG2 3.49Å; I104-T108 PolarHBondContact O-N 3.13Å; S105-T108 WeakPolarHBondContact CA-OG1 3.44Å; S105-T108 PolarHBondContact O-OG1 2.99Å; T108-L110 PolarHBondContact O-N 2.91Å; T108-A111 PolarHBondContact O-N 2.93Å; T108-K112 WeakPolarHBondContact O-CB 3.17Å; T108-K112 PolarHBondContact O-N 2.75Å; T108-I143 HydrophobicContact CG2-CD1 3.84Å; T108-I143 HydrophobicContact CG2-CG1 4.49Å; T108-I143 HydrophobicContact CG2-CG2 4.29Å; T108-G147 VanDerWaalsContact CB-O 3.22Å; T108-G147 WeakPolarHBondContact CB-O 3.45Å; T108-G147 VanDerWaalsContact CG2-O 3.25Å; T108-G147 WeakPolarHBondContact CG2-O 3.48Å; T108-G147 WeakPolarHBondContact O-CA 3.31Å; T108-I149 HydrophobicContact CG2-CG1 4.4Å
109	L	98.9	Very high	98.5	Very high	117 Å²	117	45.6 Å²	45.6	61%	0.613	24%	0.241	S	C	*	.	H	α-helix	trans	-63.3	-40	173.9	-71	172.9	0	0	0	112.3	S105 K113	S105-L109 WeakPolarHBondContact O-CB 3.42Å; S105-L109 VanDerWaalsContact O-CG 3.26Å; S105-L109 WeakPolarHBondContact O-CG 3.42Å; S105-L109 PolarHBondContact O-N 3.48Å; S105-L109 VanDerWaalsContact O-N 3.13Å; L109-K113 VanDerWaalsContact O-CB 3.22Å; L109-K113 WeakPolarHBondContact O-CB 3.28Å; L109-K113 PolarHBondContact O-N 3.03Å
110	L	98.9	Very high	98.6	Very high	11 Å²	11	43.7 Å²	43.7	6%	0.058	23%	0.231	C	C	.	.	H	α-helix	trans	-64.9	-47.2	177.6	-176.6	62.5	0	0	0	111.8	R62 V65 R106 Y107 T108 K112 K113 L114	R62-L110 HydrophobicContact CB-CD2 4.17Å; R62-L110 HydrophobicContact CG-CD1 3.91Å; R62-L110 HydrophobicContact CG-CD2 3.94Å; V65-L110 HydrophobicContact CB-CD2 4.1Å; V65-L110 HydrophobicContact CG1-CD2 4.01Å; V65-L110 HydrophobicContact CG1-CG 4.25Å; V65-L110 HydrophobicContact CG2-CD2 4.38Å; R106-L110 WeakPolarHBondContact O-CB 3.32Å; R106-L110 PolarHBondContact O-N 3.34Å; Y107-L110 HydrophobicContact CD1-CD2 4.31Å; Y107-L110 PolarHBondContact O-N 3.24Å; T108-L110 PolarHBondContact O-N 2.91Å; L110-K112 VanDerWaalsContact C-N 3.33Å; L110-K112 PolarHBondContact O-N 3.1Å; L110-K113 PolarHBondContact O-N 3.38Å; L110-L114 HydrophobicContact CD1-CD1 3.55Å; L110-L114 HydrophobicContact CD1-CG 4.07Å; L110-L114 HydrophobicContact CG-CD1 4.02Å; L110-L114 WeakPolarHBondContact O-CB 3.25Å; L110-L114 PolarHBondContact O-N 3.12Å
111	A	98.8	Very high	98.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-56.5	-47.8	176.4	0	0	0	0	0	111.2	Y107 T108 L114 S115 V116 L118 I143	Y107-A111 WeakPolarHBondContact O-CB 3.22Å; Y107-A111 PolarHBondContact O-N 2.94Å; T108-A111 PolarHBondContact O-N 2.93Å; A111-L114 PolarHBondContact O-N 3.45Å; A111-S115 WeakPolarHBondContact O-CA 3.08Å; A111-S115 PolarHBondContact O-N 3.39Å; A111-V116 WeakPolarHBondContact CB-O 3.38Å; A111-V116 PolarHBondContact O-N 2.94Å; A111-V116 VanDerWaalsContact O-N 3.13Å; A111-L118 HydrophobicContact CB-CD1 3.8Å; A111-L118 HydrophobicContact CB-CG 3.97Å; A111-I143 HydrophobicContact CB-CG2 3.7Å
112	K	98.8	Very high	98.6	Very high	131 Å²	131	37.2 Å²	37.2	57%	0.57	19%	0.188	S	C	*	.	H	α-helix	trans	-61.1	-49	176.5	-172.5	177.2	-174.5	169.5	0	112.5	T108 L110 L114 S115 E145 K146	T108-K112 WeakPolarHBondContact O-CB 3.17Å; T108-K112 PolarHBondContact O-N 2.75Å; L110-K112 VanDerWaalsContact C-N 3.33Å; L110-K112 PolarHBondContact O-N 3.1Å; K112-L114 VanDerWaalsContact C-N 3.31Å; K112-L114 PolarHBondContact O-N 3.36Å; K112-S115 PolarHBondContact O-N 3.34Å; K112-E145 WeakPolarHBondContact CA-O 3.21Å; K112-K146 WeakPolarHBondContact CD-O 3.3Å; K112-K146 WeakPolarHBondContact CG-O 3.39Å
113	K	98.8	Very high	98.7	Very high	164 Å²	164	33.3 Å²	33.3	71%	0.713	17%	0.167	S	C	*	.	H	α-helix	trans	-60.8	-39.8	-178.3	178.8	177.4	178.2	178	0	112.2	L109 L110	L109-K113 VanDerWaalsContact O-CB 3.22Å; L109-K113 WeakPolarHBondContact O-CB 3.28Å; L109-K113 PolarHBondContact O-N 3.03Å; L110-K113 PolarHBondContact O-N 3.38Å
114	L	98.6	Very high	98.7	Very high	31 Å²	31	34.6 Å²	34.6	16%	0.162	17%	0.173	C	C	.	.	H	α-helix	trans	-92.7	-6.3	-178.1	-63	177.8	0	0	0	112.9	V65 Q66 K69 L110 A111 K112 V116	V65-L114 HydrophobicContact CG1-CD1 3.74Å; Q66-L114 HydrophobicContact CG-CD1 3.86Å; Q66-L114 HydrophobicContact CG-CD2 4.4Å; K69-L114 WeakPolarHBondContact CD-O 3.4Å; K69-L114 WeakPolarHBondContact CE-O 3.25Å; K69-L114 HydrophobicContact CG-CB 4.3Å; K69-L114 PolarHBondContact NZ-O 3.36Å; L110-L114 HydrophobicContact CD1-CD1 3.55Å; L110-L114 HydrophobicContact CD1-CG 4.07Å; L110-L114 HydrophobicContact CG-CD1 4.02Å; L110-L114 WeakPolarHBondContact O-CB 3.25Å; L110-L114 PolarHBondContact O-N 3.12Å; A111-L114 PolarHBondContact O-N 3.45Å; K112-L114 VanDerWaalsContact C-N 3.31Å; K112-L114 PolarHBondContact O-N 3.36Å; L114-V116 HydrophobicContact CB-CB 4.49Å; L114-V116 HydrophobicContact CB-CG1 3.89Å; L114-V116 PolarHBondContact O-N 3.05Å
115	S	98.4	Very high	98.7	Very high	71 Å²	71	35 Å²	35	50%	0.497	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	48	59.9	-173.5	-53.4	0	0	0	0	111	K69 A111 K112	K69-S115 PolarHBondContact NZ-O 2.89Å; A111-S115 WeakPolarHBondContact O-CA 3.08Å; A111-S115 PolarHBondContact O-N 3.39Å; K112-S115 PolarHBondContact O-N 3.34Å
116	V	98.8	Very high	98.7	Very high	1 Å²	1	36 Å²	36	1%	0.006	17%	0.171	C	C	.	.			trans	-139.1	145.7	-177.2	71.6	0	0	0	0	110.1	V65 K69 S74 V76 A111 L114 L118	V65-V116 HydrophobicContact CG1-CG1 4.11Å; K69-V116 HydrophobicContact CD-CB 4.33Å; S74-V116 WeakPolarHBondContact O-CG2 3.16Å; V76-V116 HydrophobicContact CG2-CG2 3.9Å; A111-V116 WeakPolarHBondContact CB-O 3.38Å; A111-V116 PolarHBondContact O-N 2.94Å; A111-V116 VanDerWaalsContact O-N 3.13Å; L114-V116 HydrophobicContact CB-CB 4.49Å; L114-V116 HydrophobicContact CB-CG1 3.89Å; L114-V116 PolarHBondContact O-N 3.05Å; V116-L118 HydrophobicContact CG1-CD2 3.97Å
117	W	98.9	Very high	98.5	Very high	26 Å²	26	33.1 Å²	33.1	10%	0.098	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	144.6	171.8	-75.8	56.8	0	0	0	110.7	S74 M75 V76 I142 I143 N144 E145 V150 V186 Q187 T188 P189	S74-W117 PolarHBondContact O-N 3.48Å; M75-W117 CarbonylContact C-O 3.5Å; M75-W117 VanDerWaalsContact CA-O 3.31Å; M75-W117 WeakPolarHBondContact CA-O 3.29Å; M75-W117 HydrophobicContact CB-CB 3.9Å; M75-W117 HydrophobicContact CG-CB 3.69Å; M75-W117 HydrophobicContact SD-CB 4.21Å; V76-W117 PolarHBondContact N-O 3Å; W117-I142 HydrophobicContact CE3-CG2 3.72Å; W117-I142 HydrophobicContact CZ3-CG2 3.83Å; W117-I143 CarbonylContact C-O 3.59Å; W117-I143 WeakPolarHBondContact CA-O 3.32Å; W117-N144 HydrophobicContact CD2-CB 4.12Å; W117-N144 HydrophobicContact CE3-CB 4.37Å; W117-N144 HydrophobicContact CH2-CB 3.89Å; W117-N144 HydrophobicContact CZ2-CB 3.58Å; W117-N144 HydrophobicContact CZ3-CB 4.27Å; W117-E145 PolarHBondContact NE1-OE2 2.97Å; W117-V150 HydrophobicContact CH2-CG2 4.28Å; W117-V150 HydrophobicContact CZ3-CG2 3.8Å; W117-V186 HydrophobicContact CZ3-CG1 4.28Å; W117-Q187 WeakPolarHBondContact CH2-O 3.49Å; W117-T188 HydrophobicContact CE3-CG2 3.82Å; W117-T188 HydrophobicContact CZ3-CG2 3.69Å; W117-P189 HydrophobicContact CD2-CG 4.28Å; W117-P189 VanDerWaalsContact CE2-CD 3.44Å; W117-P189 HydrophobicContact CG-CG 4.14Å
118	L	98.9	Very high	98.2	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	133.3	176.3	-56.2	-179.4	0	0	0	110.6	V65 V76 Y107 A111 V116 L120 I142 I143	V65-L118 HydrophobicContact CG1-CD2 3.71Å; V65-L118 HydrophobicContact CG2-CD2 4.05Å; V76-L118 HydrophobicContact CB-CD2 3.97Å; V76-L118 HydrophobicContact CG2-CD2 4.5Å; V76-L118 WeakPolarHBondContact O-CA 3.15Å; Y107-L118 HydrophobicContact CD1-CD1 3.96Å; A111-L118 HydrophobicContact CB-CD1 3.8Å; A111-L118 HydrophobicContact CB-CG 3.97Å; V116-L118 HydrophobicContact CG1-CD2 3.97Å; L118-L120 HydrophobicContact CB-CD2 4.14Å; L118-L120 HydrophobicContact CD1-CD2 4.45Å; L118-I142 WeakPolarHBondContact O-CA 3.39Å; L118-I143 HydrophobicContact CB-CB 4.34Å; L118-I143 PolarHBondContact N-O 3.36Å; L118-I143 PolarHBondContact O-N 3.48Å
119	S	98.9	Very high	97.8	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.007	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	111.6	160.6	153	0	0	0	0	107.6	V76 F77 L78 H140	V76-S119 PolarHBondContact O-N 3.46Å; F77-S119 VanDerWaalsContact CD1-OG 3.29Å; F77-S119 WeakPolarHBondContact CD1-OG 3.25Å; L78-S119 PolarHBondContact N-O 3.45Å; S119-H140 PolarHBondContact OG-NE2 2.91Å
120	L	98.9	Very high	97.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	97.5	177.2	-57.5	-172.4	0	0	0	107.9	L78 F82 I104 Y107 L118 G122 H140 I141 I143	L78-L120 HydrophobicContact CD1-CD2 3.77Å; F82-L120 HydrophobicContact CD1-CB 4.29Å; F82-L120 HydrophobicContact CE1-CB 3.61Å; F82-L120 HydrophobicContact CE2-CB 4.47Å; F82-L120 HydrophobicContact CE2-CD1 4.32Å; F82-L120 HydrophobicContact CE2-CD2 4.23Å; F82-L120 HydrophobicContact CZ-CB 3.72Å; F82-L120 HydrophobicContact CZ-CD1 3.91Å; F82-L120 HydrophobicContact CZ-CD2 4.29Å; F82-L120 HydrophobicContact CZ-CG 4.2Å; I104-L120 HydrophobicContact CD1-CD1 3.84Å; Y107-L120 HydrophobicContact CD1-CD2 3.86Å; Y107-L120 HydrophobicContact CD2-CD1 4.32Å; Y107-L120 HydrophobicContact CE1-CD2 4.22Å; Y107-L120 HydrophobicContact CG-CD1 4.07Å; Y107-L120 HydrophobicContact CG-CD2 4.04Å; L118-L120 HydrophobicContact CB-CD2 4.14Å; L118-L120 HydrophobicContact CD1-CD2 4.45Å; L120-G122 VanDerWaalsContact C-N 3.28Å; L120-G122 PolarHBondContact O-N 3.47Å; L120-H140 CarbonylContact O-C 3.45Å; L120-H140 VanDerWaalsContact O-CA 3.28Å; L120-H140 WeakPolarHBondContact O-CA 3.43Å; L120-H140 PolarHBondContact O-CD2 3.03Å; L120-I141 HydrophobicContact CB-CB 4.17Å; L120-I141 PolarHBondContact N-O 3.25Å; L120-I141 PolarHBondContact O-N 2.86Å; L120-I143 HydrophobicContact CD1-CD1 3.57Å; L120-I143 HydrophobicContact CD1-CG1 4.44Å; L120-I143 HydrophobicContact CG-CD1 4.27Å
121	G	98	Very high	97.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	4.5	-154.4	0	0	0	0	0	118.8	L78 P221	L78-G121 VanDerWaalsContact O-CA 3.29Å; L78-G121 WeakPolarHBondContact O-CA 3.34Å; L78-G121 PolarHBondContact O-N 2.9Å; L78-G121 VanDerWaalsContact O-N 3.1Å; G121-P221 VanDerWaalsContact O-CB 3.31Å; G121-P221 WeakPolarHBondContact O-CB 3.32Å; G121-P221 WeakPolarHBondContact O-CG 3.23Å
122	G	97.7	Very high	97	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163	77.4	-180	0	0	0	0	0	111.1	G81 L120 N138 S139	G81-G122 WeakPolarHBondContact CA-O 3.09Å; G81-G122 PolarHBondContact N-O 2.98Å; L120-G122 VanDerWaalsContact C-N 3.28Å; L120-G122 PolarHBondContact O-N 3.47Å; G122-N138 WeakPolarHBondContact CA-OD1 3.24Å; G122-S139 CarbonylContact C-O 3.54Å; G122-S139 WeakPolarHBondContact CA-O 3.48Å
123	F	98.8	Very high	96.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	138.5	176	171.9	-119.4	0	0	0	110.5	F82 D83 E97 L99 I103 I104 E125 S139 I141	F82-F123 HydrophobicContact CE1-CB 3.82Å; F82-F123 HydrophobicContact CZ-CB 4.04Å; F82-F123 HydrophobicContact CZ-CD2 4.27Å; D83-F123 HydrophobicContact CB-CD2 4.12Å; D83-F123 WeakPolarHBondContact OD2-CD2 3.36Å; E97-F123 HydrophobicContact CB-CE2 4.27Å; E97-F123 HydrophobicContact CB-CZ 3.71Å; E97-F123 WeakPolarHBondContact O-CZ 3.43Å; L99-F123 HydrophobicContact CD2-CD1 4.03Å; L99-F123 HydrophobicContact CD2-CE1 4.14Å; I103-F123 HydrophobicContact CG2-CD2 4.2Å; I103-F123 HydrophobicContact CG2-CE2 3.37Å; I103-F123 HydrophobicContact CG2-CZ 3.99Å; I104-F123 HydrophobicContact CD1-CB 4.44Å; I104-F123 HydrophobicContact CD1-CD1 4.07Å; I104-F123 HydrophobicContact CD1-CD2 3.96Å; I104-F123 HydrophobicContact CD1-CE1 4.28Å; I104-F123 HydrophobicContact CD1-CE2 4.22Å; I104-F123 HydrophobicContact CD1-CG 3.89Å; I104-F123 HydrophobicContact CD1-CZ 4.34Å; I104-F123 HydrophobicContact CG1-CD1 4.15Å; I104-F123 HydrophobicContact CG1-CD2 4.35Å; I104-F123 HydrophobicContact CG1-CE1 3.87Å; I104-F123 HydrophobicContact CG1-CE2 4.13Å; I104-F123 HydrophobicContact CG1-CG 4.37Å; I104-F123 HydrophobicContact CG1-CZ 3.84Å; F123-E125 VanDerWaalsContact C-N 3.31Å; F123-E125 HydrophobicContact CD1-CB 3.77Å; F123-E125 HydrophobicContact CE1-CB 3.92Å; F123-E125 HydrophobicContact CE1-CG 4.41Å; F123-E125 PolarHBondContact O-N 3.34Å; F123-S139 WeakPolarHBondContact CB-O 3.37Å; F123-S139 PolarHBondContact N-O 3.04Å; F123-S139 PolarHBondContact O-N 3.38Å; F123-I141 HydrophobicContact CB-CD1 3.78Å; F123-I141 HydrophobicContact CD1-CD1 3.8Å; F123-I141 HydrophobicContact CG-CD1 4.04Å
124	H	98.6	Very high	96.4	Very high	31 Å²	31	44.9 Å²	44.9	14%	0.144	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	82.6	173.7	-61.9	86.4	0	0	0	110.1	D83 Y84 S96 E97 I136	D83-H124 IonicContact OD1-CE1 3.06Å; D83-H124 IonicContact OD1-ND1 2.87Å; D83-H124 PolarHBondContact OD1-ND1 3.44Å; D83-H124 WeakPolarHBondContact OD2-CB 3.31Å; D83-H124 IonicContact OD2-CG 3.94Å; D83-H124 PolarHBondContact OD2-N 2.88Å; D83-H124 IonicContact OD2-ND1 3.94Å; D83-H124 PolarHBondContact OD2-ND1 3.48Å; D83-H124 VanDerWaalsContact OD2-ND1 3.15Å; Y84-H124 HydrophobicContact CE1-CB 3.97Å; Y84-H124 AromaticContact CE1-ND1 3.87Å; Y84-H124 AromaticContact CE2-ND1 3.99Å; Y84-H124 AromaticContact CZ-CG 3.58Å; Y84-H124 AromaticContact CZ-ND1 3.67Å; Y84-H124 PolarHBondContact O-CE1 2.99Å; Y84-H124 WeakPolarHBondContact OH-CB 3.3Å; Y84-H124 VanDerWaalsContact OH-CG 3.27Å; S96-H124 WeakPolarHBondContact CB-O 3.38Å; E97-H124 PolarHBondContact N-O 2.89Å; H124-I136 HydrophobicContact CB-CD1 4.24Å
125	E	98.4	Very high	96.3	Very high	11 Å²	11	47 Å²	47	5%	0.051	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	128.5	-177.9	-179.6	-170	-177.7	0	0	110.6	E97 L99 F123 G127 I136 Y137 S139 R154	E97-E125 CarbonylContact O-C 3.54Å; E97-E125 WeakPolarHBondContact O-CA 3.44Å; L99-E125 WeakPolarHBondContact CD1-OE1 3.33Å; L99-E125 HydrophobicContact CD2-CG 4.22Å; L99-E125 HydrophobicContact CG-CG 4.04Å; L99-E125 WeakPolarHBondContact CG-OE1 3.48Å; F123-E125 VanDerWaalsContact C-N 3.31Å; F123-E125 HydrophobicContact CD1-CB 3.77Å; F123-E125 HydrophobicContact CE1-CB 3.92Å; F123-E125 HydrophobicContact CE1-CG 4.41Å; F123-E125 PolarHBondContact O-N 3.34Å; E125-G127 PolarHBondContact O-N 2.65Å; E125-I136 CarbonylContact O-C 3.58Å; E125-I136 WeakPolarHBondContact O-CA 3.26Å; E125-I136 VanDerWaalsContact O-CB 3.26Å; E125-I136 WeakPolarHBondContact O-CB 3.29Å; E125-Y137 PolarHBondContact N-O 2.84Å; E125-Y137 PolarHBondContact O-N 3.08Å; E125-S139 WeakPolarHBondContact CB-OG 3.35Å; E125-S139 WeakPolarHBondContact OE2-CB 3.35Å; E125-S139 PolarHBondContact OE2-OG 3.45Å; E125-R154 IonicContact OE1-CZ 2.72Å; E125-R154 IonicContact OE1-NE 3Å; E125-R154 IonicContact OE1-NH2 2.68Å; E125-R154 PolarHBondContact OE1-NH2 3.35Å; E125-R154 IonicContact OE2-CZ 3.74Å; E125-R154 IonicContact OE2-NE 3.48Å; E125-R154 PolarHBondContact OE2-NE 2.78Å; E125-R154 IonicContact OE2-NH2 3.63Å; E125-R154 PolarHBondContact OE2-NH2 3.38Å
126	R	98.2	Very high	96.3	Very high	69 Å²	69	43.7 Å²	43.7	26%	0.26	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	134	170.8	-72.2	-178.3	-176.9	-172.5	5.8	111.7	S96 E97 R98 W130	S96-R126 VanDerWaalsContact O-CZ 3.29Å; S96-R126 PolarHBondContact O-NE 3.17Å; S96-R126 PolarHBondContact O-NH2 2.91Å; S96-R126 VanDerWaalsContact OG-CG 3.23Å; S96-R126 WeakPolarHBondContact OG-CG 3.26Å; S96-R126 PolarHBondContact OG-NE 2.95Å; E97-R126 PolarHBondContact O-N 2.92Å; R98-R126 HydrophobicContact CG-CB 4.15Å; R126-W130 HydrophobicContact CB-CB 4.18Å; R126-W130 HydrophobicContact CB-CD2 4.01Å; R126-W130 HydrophobicContact CB-CE3 4.03Å; R126-W130 HydrophobicContact CB-CG 4.07Å; R126-W130 HydrophobicContact CG-CD2 3.68Å; R126-W130 HydrophobicContact CG-CE3 3.78Å; R126-W130 HydrophobicContact CG-CG 4.1Å; R126-W130 HydrophobicContact CG-CH2 4.5Å; R126-W130 HydrophobicContact CG-CZ2 4.43Å; R126-W130 HydrophobicContact CG-CZ3 4.2Å
127	G	95.9	Very high	96.3	Very high	3 Å²	3	45.3 Å²	45.3	3%	0.031	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-59	162.1	173.8	0	0	0	0	0	112.7	E125 D129 W130 R135	E125-G127 PolarHBondContact O-N 2.65Å; G127-D129 VanDerWaalsContact C-N 3.3Å; G127-D129 PolarHBondContact O-N 2.85Å; G127-W130 WeakPolarHBondContact O-CB 3.47Å; G127-W130 PolarHBondContact O-N 2.93Å; G127-R135 WeakPolarHBondContact CA-O 3.18Å; G127-R135 PolarHBondContact N-O 3.4Å
128	H	91.6	Very high	96.2	Very high	165 Å²	165	44.6 Å²	44.6	76%	0.764	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-43.5	178.4	-172.6	68	0	0	0	111.3	W130	H128-W130 VanDerWaalsContact C-N 3.26Å; H128-W130 PolarHBondContact O-N 3.2Å
129	D	92	Very high	96.2	Very high	95 Å²	95	44.6 Å²	44.6	51%	0.508	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	30.1	-179.7	-58.9	-45.5	0	0	0	112.5	G127 E131 T132 D133	G127-D129 VanDerWaalsContact C-N 3.3Å; G127-D129 PolarHBondContact O-N 2.85Å; D129-E131 PolarHBondContact O-N 2.84Å; D129-T132 PolarHBondContact O-N 3.17Å; D129-T132 PolarHBondContact O-OG1 2.8Å; D129-D133 PolarHBondContact O-N 2.97Å
130	W	93.2	Very high	96.2	Very high	17 Å²	17	44.6 Å²	44.6	6%	0.064	21%	0.21	C	C	.	.	H	α-helix	trans	-48.2	-41	-175.3	172.1	-100.2	0	0	0	114.5	L93 S96 R126 G127 H128 T132 R134 I136	L93-W130 HydrophobicContact CB-CH2 3.94Å; L93-W130 HydrophobicContact CD2-CH2 4.22Å; L93-W130 HydrophobicContact CD2-CZ3 4.05Å; L93-W130 WeakPolarHBondContact O-CH2 3.3Å; S96-W130 WeakPolarHBondContact OG-CH2 3.16Å; R126-W130 HydrophobicContact CB-CB 4.18Å; R126-W130 HydrophobicContact CB-CD2 4.01Å; R126-W130 HydrophobicContact CB-CE3 4.03Å; R126-W130 HydrophobicContact CB-CG 4.07Å; R126-W130 HydrophobicContact CG-CD2 3.68Å; R126-W130 HydrophobicContact CG-CE3 3.78Å; R126-W130 HydrophobicContact CG-CG 4.1Å; R126-W130 HydrophobicContact CG-CH2 4.5Å; R126-W130 HydrophobicContact CG-CZ2 4.43Å; R126-W130 HydrophobicContact CG-CZ3 4.2Å; G127-W130 WeakPolarHBondContact O-CB 3.47Å; G127-W130 PolarHBondContact O-N 2.93Å; H128-W130 VanDerWaalsContact C-N 3.26Å; H128-W130 PolarHBondContact O-N 3.2Å; W130-T132 PolarHBondContact O-N 2.92Å; W130-R134 HydrophobicContact CH2-CB 4.42Å; W130-R134 VanDerWaalsContact CZ3-C 3.49Å; W130-R134 HydrophobicContact CZ3-CB 4.3Å; W130-R134 WeakPolarHBondContact O-CA 3.41Å; W130-R134 PolarHBondContact O-N 3.25Å; W130-R134 VanDerWaalsContact O-N 3.1Å; W130-I136 HydrophobicContact CE3-CG2 4.34Å; W130-I136 HydrophobicContact CH2-CG2 4.46Å; W130-I136 HydrophobicContact CZ3-CG2 3.66Å
131	E	93	Very high	96.2	Very high	140 Å²	140	44.6 Å²	44.6	65%	0.654	21%	0.21	S	C	*	.	H	α-helix	trans	-67.1	-18.2	-177.5	-52	-57.3	158.9	0	0	112.6	R98 D129	R98-E131 IonicContact NH2-OE1 3.04Å; R98-E131 PolarHBondContact NH2-OE1 2.93Å; D129-E131 PolarHBondContact O-N 2.84Å
132	T	92.1	Very high	96.3	Very high	120 Å²	120	44.6 Å²	44.6	74%	0.736	21%	0.21	S	C	*	.	H	α-helix	trans	-110.4	-42.7	-178.5	63.9	0	0	0	0	112.9	D129 W130	D129-T132 PolarHBondContact O-N 3.17Å; D129-T132 PolarHBondContact O-OG1 2.8Å; W130-T132 PolarHBondContact O-N 2.92Å
133	D	91.8	Very high	96.3	Very high	55 Å²	55	44.6 Å²	44.6	29%	0.294	21%	0.21	S	C	.	.	H	α-helix	trans	-102	-18.5	-173	78.3	-2.2	0	0	0	114.3	D129 R135	D129-D133 PolarHBondContact O-N 2.97Å; D133-R135 HydrophobicContact CB-CG 4.12Å; D133-R135 WeakPolarHBondContact O-CG 3.32Å; D133-R135 PolarHBondContact O-N 3.22Å; D133-R135 PolarHBondContact OD1-N 3.38Å; D133-R135 WeakPolarHBondContact OD2-CD 3.2Å
134	R	94.6	Very high	96.3	Very high	106 Å²	106	45.3 Å²	45.3	40%	0.4	21%	0.213	S	C	.	.			trans	47.2	41.9	-173	-62.8	-174.9	63.4	-177.7	-0.6	113	L93 N94 W130	L93-R134 WeakPolarHBondContact CD1-O 3.41Å; L93-R134 VanDerWaalsContact CD2-O 3.23Å; L93-R134 WeakPolarHBondContact CD2-O 3.33Å; N94-R134 PolarHBondContact OD1-NH2 2.9Å; W130-R134 HydrophobicContact CH2-CB 4.42Å; W130-R134 VanDerWaalsContact CZ3-C 3.49Å; W130-R134 HydrophobicContact CZ3-CB 4.3Å; W130-R134 WeakPolarHBondContact O-CA 3.41Å; W130-R134 PolarHBondContact O-N 3.25Å; W130-R134 VanDerWaalsContact O-N 3.1Å
135	R	95.8	Very high	96.3	Very high	77 Å²	77	47 Å²	47	29%	0.291	22%	0.222	S	C	.	.			trans	-105.9	157	176.2	-60.7	179.3	68.7	-169.1	4.1	111.7	G127 D133 F175 T176 I177	G127-R135 WeakPolarHBondContact CA-O 3.18Å; G127-R135 PolarHBondContact N-O 3.4Å; D133-R135 HydrophobicContact CB-CG 4.12Å; D133-R135 WeakPolarHBondContact O-CG 3.32Å; D133-R135 PolarHBondContact O-N 3.22Å; D133-R135 PolarHBondContact OD1-N 3.38Å; D133-R135 WeakPolarHBondContact OD2-CD 3.2Å; R135-F175 VanDerWaalsContact CA-O 3.3Å; R135-F175 WeakPolarHBondContact CA-O 3.39Å; R135-F175 WeakPolarHBondContact CB-O 3.38Å; R135-T176 PolarHBondContact NH2-O 3.48Å; R135-I177 HydrophobicContact CB-CD1 3.84Å; R135-I177 HydrophobicContact CB-CG1 3.57Å
136	I	97.8	Very high	96.3	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	160.4	-176.8	60.4	174.2	0	0	0	111.3	T92 L93 H124 E125 W130 F175 T176 I177	T92-I136 HydrophobicContact CG2-CD1 3.98Å; L93-I136 HydrophobicContact CD2-CD1 4.46Å; L93-I136 HydrophobicContact CD2-CG1 4.35Å; L93-I136 HydrophobicContact CD2-CG2 3.81Å; H124-I136 HydrophobicContact CB-CD1 4.24Å; E125-I136 CarbonylContact O-C 3.58Å; E125-I136 WeakPolarHBondContact O-CA 3.26Å; E125-I136 VanDerWaalsContact O-CB 3.26Å; E125-I136 WeakPolarHBondContact O-CB 3.29Å; W130-I136 HydrophobicContact CE3-CG2 4.34Å; W130-I136 HydrophobicContact CH2-CG2 4.46Å; W130-I136 HydrophobicContact CZ3-CG2 3.66Å; I136-F175 HydrophobicContact CD1-CD2 4.07Å; I136-F175 HydrophobicContact CD1-CE2 4.18Å; I136-F175 HydrophobicContact CG1-CD2 4.2Å; I136-F175 PolarHBondContact N-O 3.18Å; I136-T176 CarbonylContact O-C 3.38Å; I136-T176 WeakPolarHBondContact O-CA 3.33Å; I136-I177 PolarHBondContact O-N 3.12Å
137	Y	98.3	Very high	96.3	Very high	34 Å²	34	50 Å²	50	13%	0.133	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	158.1	160.4	-63.1	-78.3	0	0	0	109.9	E125 S139 R154 I177	E125-Y137 PolarHBondContact N-O 2.84Å; E125-Y137 PolarHBondContact O-N 3.08Å; Y137-S139 WeakPolarHBondContact CB-OG 3.29Å; Y137-R154 HydrophobicContact CD1-CB 4.11Å; Y137-R154 HydrophobicContact CD1-CG 4.03Å; Y137-R154 HydrophobicContact CG-CG 4.02Å; Y137-I177 HydrophobicContact CD1-CB 3.7Å; Y137-I177 HydrophobicContact CD1-CG2 4.11Å; Y137-I177 VanDerWaalsContact CD1-O 3.32Å; Y137-I177 WeakPolarHBondContact CD1-O 3.26Å; Y137-I177 HydrophobicContact CE1-CB 3.44Å; Y137-I177 VanDerWaalsContact CE1-CB 3.44Å; Y137-I177 HydrophobicContact CE1-CD1 4.17Å; Y137-I177 HydrophobicContact CE1-CG1 4.39Å; Y137-I177 HydrophobicContact CE1-CG2 3.36Å; Y137-I177 HydrophobicContact CE2-CD1 4.06Å; Y137-I177 HydrophobicContact CG-CB 4.47Å
138	N	98.3	Very high	96.5	Very high	12 Å²	12	54 Å²	54	6%	0.064	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	105.4	164.1	-177.1	-18	0	0	0	107.4	E80 G122 R154 K155 E172 T176 I197	E80-N138 PolarHBondContact OE1-ND2 3.03Å; G122-N138 WeakPolarHBondContact CA-OD1 3.24Å; N138-R154 WeakPolarHBondContact O-CA 3.2Å; N138-K155 HydrophobicContact CB-CB 3.93Å; N138-K155 HydrophobicContact CB-CD 4.18Å; N138-K155 WeakPolarHBondContact ND2-CD 3.37Å; N138-K155 PolarHBondContact O-N 3.39Å; N138-E172 PolarHBondContact ND2-OE1 3.01Å; N138-T176 HydrophobicContact CB-CG2 4.24Å; N138-I197 WeakPolarHBondContact O-CD1 3.41Å; N138-I197 WeakPolarHBondContact OD1-CD1 3.34Å
139	S	98.8	Very high	96.8	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	115.3	-162.4	-62.3	0	0	0	0	112.3	G122 F123 E125 Y137 Y153 R154	G122-S139 CarbonylContact C-O 3.54Å; G122-S139 WeakPolarHBondContact CA-O 3.48Å; F123-S139 WeakPolarHBondContact CB-O 3.37Å; F123-S139 PolarHBondContact N-O 3.04Å; F123-S139 PolarHBondContact O-N 3.38Å; E125-S139 WeakPolarHBondContact CB-OG 3.35Å; E125-S139 WeakPolarHBondContact OE2-CB 3.35Å; E125-S139 PolarHBondContact OE2-OG 3.45Å; Y137-S139 WeakPolarHBondContact CB-OG 3.29Å; S139-Y153 CarbonylContact C-O 3.57Å; S139-Y153 VanDerWaalsContact CA-O 3.3Å; S139-Y153 WeakPolarHBondContact CA-O 3.24Å; S139-R154 WeakPolarHBondContact OG-CG 3.37Å
140	H	98.9	Very high	97.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	111.7	171.6	-174.5	170.1	0	0	0	109.6	S119 L120 V152 Y153 G196 I197 T219	S119-H140 PolarHBondContact OG-NE2 2.91Å; L120-H140 CarbonylContact O-C 3.45Å; L120-H140 VanDerWaalsContact O-CA 3.28Å; L120-H140 WeakPolarHBondContact O-CA 3.43Å; L120-H140 PolarHBondContact O-CD2 3.03Å; H140-V152 WeakPolarHBondContact O-CA 3.49Å; H140-Y153 HydrophobicContact CB-CD1 4.19Å; H140-Y153 PolarHBondContact N-O 2.9Å; H140-Y153 PolarHBondContact O-N 2.88Å; H140-G196 PolarHBondContact ND1-O 3.25Å; H140-G196 VanDerWaalsContact ND1-O 3.14Å; H140-I197 HydrophobicContact CB-CD1 3.51Å; H140-I197 HydrophobicContact CB-CG1 3.68Å; H140-T219 PolarHBondContact CE1-OG1 2.94Å; H140-T219 VanDerWaalsContact CE1-OG1 3.22Å
141	I	98.9	Very high	97.4	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	134.1	-172.3	-54.7	161.6	0	0	0	109.6	L99 I104 L120 F123 I143 I149 S151 V152	L99-I141 HydrophobicContact CD2-CD1 3.46Å; L99-I141 VanDerWaalsContact CD2-CD1 3.46Å; L99-I141 HydrophobicContact CD2-CG1 4.1Å; I104-I141 HydrophobicContact CD1-CD1 3.56Å; I104-I141 HydrophobicContact CG1-CD1 4.3Å; L120-I141 HydrophobicContact CB-CB 4.17Å; L120-I141 PolarHBondContact N-O 3.25Å; L120-I141 PolarHBondContact O-N 2.86Å; F123-I141 HydrophobicContact CB-CD1 3.78Å; F123-I141 HydrophobicContact CD1-CD1 3.8Å; F123-I141 HydrophobicContact CG-CD1 4.04Å; I141-I143 HydrophobicContact CG2-CG1 4.06Å; I141-I149 HydrophobicContact CG2-CB 4.49Å; I141-I149 HydrophobicContact CG2-CD1 4.48Å; I141-I149 HydrophobicContact CG2-CG1 4.14Å; I141-I149 HydrophobicContact CG2-CG2 3.73Å; I141-S151 WeakPolarHBondContact CA-O 3.29Å; I141-V152 HydrophobicContact CG1-CG1 4.27Å; I141-V152 HydrophobicContact CG1-CG2 4.32Å; I141-V152 HydrophobicContact CG2-CG2 4.37Å
142	I	98.9	Very high	97.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	125.7	169.7	-54.1	-57.2	0	0	0	109.3	M75 W117 L118 I149 V150 S151 V186 L195	M75-I142 HydrophobicContact CE-CD1 3.96Å; M75-I142 HydrophobicContact CE-CG2 4.28Å; W117-I142 HydrophobicContact CE3-CG2 3.72Å; W117-I142 HydrophobicContact CZ3-CG2 3.83Å; L118-I142 WeakPolarHBondContact O-CA 3.39Å; I142-I149 WeakPolarHBondContact O-CA 3.28Å; I142-V150 HydrophobicContact CB-CG2 3.85Å; I142-V150 HydrophobicContact CG2-CG2 3.52Å; I142-V150 WeakPolarHBondContact O-CG2 3.32Å; I142-V150 PolarHBondContact O-N 3.19Å; I142-S151 PolarHBondContact N-O 3.49Å; I142-V186 HydrophobicContact CG1-CG2 4.45Å; I142-V186 HydrophobicContact CG2-CG1 4.5Å; I142-L195 HydrophobicContact CD1-CD1 4.09Å; I142-L195 HydrophobicContact CD1-CD2 3.78Å; I142-L195 HydrophobicContact CG1-CD1 3.63Å; I142-L195 HydrophobicContact CG1-CD2 3.98Å; I142-L195 HydrophobicContact CG1-CG 4.44Å
143	I	98.9	Very high	98	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	130.2	175.7	-58	175.5	0	0	0	108.5	T108 A111 W117 L118 L120 I141 D148 I149	T108-I143 HydrophobicContact CG2-CD1 3.84Å; T108-I143 HydrophobicContact CG2-CG1 4.49Å; T108-I143 HydrophobicContact CG2-CG2 4.29Å; A111-I143 HydrophobicContact CB-CG2 3.7Å; W117-I143 CarbonylContact C-O 3.59Å; W117-I143 WeakPolarHBondContact CA-O 3.32Å; L118-I143 HydrophobicContact CB-CB 4.34Å; L118-I143 PolarHBondContact N-O 3.36Å; L118-I143 PolarHBondContact O-N 3.48Å; L120-I143 HydrophobicContact CD1-CD1 3.57Å; L120-I143 HydrophobicContact CD1-CG1 4.44Å; L120-I143 HydrophobicContact CG-CD1 4.27Å; I141-I143 HydrophobicContact CG2-CG1 4.06Å; I143-D148 CarbonylContact C-O 3.55Å; I143-D148 VanDerWaalsContact CA-O 3.29Å; I143-D148 WeakPolarHBondContact CA-O 3.02Å; I143-I149 HydrophobicContact CG1-CG1 4.2Å
144	N	98.9	Very high	98.3	Very high	15 Å²	15	39 Å²	39	8%	0.08	19%	0.185	C	C	.	.			trans	-81.6	176.4	177.7	73.6	12	0	0	0	112.5	W117 K146 G147 D148 V150	W117-N144 HydrophobicContact CD2-CB 4.12Å; W117-N144 HydrophobicContact CE3-CB 4.37Å; W117-N144 HydrophobicContact CH2-CB 3.89Å; W117-N144 HydrophobicContact CZ2-CB 3.58Å; W117-N144 HydrophobicContact CZ3-CB 4.27Å; N144-K146 PolarHBondContact O-N 3.44Å; N144-K146 VanDerWaalsContact O-N 3.11Å; N144-K146 WeakPolarHBondContact OD1-CA 3.31Å; N144-K146 WeakPolarHBondContact OD1-CB 3.32Å; N144-K146 PolarHBondContact OD1-N 2.82Å; N144-G147 PolarHBondContact O-N 2.82Å; N144-G147 PolarHBondContact OD1-N 2.79Å; N144-G147 VanDerWaalsContact OD1-N 3.08Å; N144-D148 PolarHBondContact N-O 2.86Å; N144-D148 WeakPolarHBondContact ND2-CB 3.46Å; N144-D148 PolarHBondContact ND2-OD2 2.82Å; N144-D148 PolarHBondContact OD1-N 2.7Å; N144-V150 HydrophobicContact CB-CG1 3.86Å
145	E	98.4	Very high	98.4	Very high	68 Å²	68	34 Å²	34	32%	0.318	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-11.2	179.8	80	-69.9	171	0	0	114.6	K112 W117	K112-E145 WeakPolarHBondContact CA-O 3.21Å; W117-E145 PolarHBondContact NE1-OE2 2.97Å
146	K	98.7	Very high	98.4	Very high	130 Å²	130	31.6 Å²	31.6	57%	0.565	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-9.5	176	-59	176.7	-174.7	173.4	0	112.3	K112 N144	K112-K146 WeakPolarHBondContact CD-O 3.3Å; K112-K146 WeakPolarHBondContact CG-O 3.39Å; N144-K146 PolarHBondContact O-N 3.44Å; N144-K146 VanDerWaalsContact O-N 3.11Å; N144-K146 WeakPolarHBondContact OD1-CA 3.31Å; N144-K146 WeakPolarHBondContact OD1-CB 3.32Å; N144-K146 PolarHBondContact OD1-N 2.82Å
147	G	98.5	Very high	98.3	Very high	12 Å²	12	34.3 Å²	34.3	12%	0.124	17%	0.174	C	C	.	.	S	Bend	trans	88.9	11.5	-174.8	0	0	0	0	0	113.9	T108 N144	T108-G147 VanDerWaalsContact CB-O 3.22Å; T108-G147 WeakPolarHBondContact CB-O 3.45Å; T108-G147 VanDerWaalsContact CG2-O 3.25Å; T108-G147 WeakPolarHBondContact CG2-O 3.48Å; T108-G147 WeakPolarHBondContact O-CA 3.31Å; N144-G147 PolarHBondContact O-N 2.82Å; N144-G147 PolarHBondContact OD1-N 2.79Å; N144-G147 VanDerWaalsContact OD1-N 3.08Å
148	D	98.7	Very high	98.1	Very high	86 Å²	86	33.8 Å²	33.8	46%	0.46	17%	0.173	S	C	.	.			trans	-83.7	136.8	177	-46.9	-50.1	0	0	0	110.3	I143 N144 V150	I143-D148 CarbonylContact C-O 3.55Å; I143-D148 VanDerWaalsContact CA-O 3.29Å; I143-D148 WeakPolarHBondContact CA-O 3.02Å; N144-D148 PolarHBondContact N-O 2.86Å; N144-D148 WeakPolarHBondContact ND2-CB 3.46Å; N144-D148 PolarHBondContact ND2-OD2 2.82Å; N144-D148 PolarHBondContact OD1-N 2.7Å; D148-V150 HydrophobicContact CB-CG1 4.47Å; D148-V150 PolarHBondContact O-N 2.95Å
149	I	98.8	Very high	97.6	Very high	69 Å²	69	35 Å²	35	35%	0.354	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	110.6	166.4	-62.5	170.2	0	0	0	107.6	I104 T108 I141 I142 I143 V152	I104-I149 HydrophobicContact CG2-CD1 3.84Å; T108-I149 HydrophobicContact CG2-CG1 4.4Å; I141-I149 HydrophobicContact CG2-CB 4.49Å; I141-I149 HydrophobicContact CG2-CD1 4.48Å; I141-I149 HydrophobicContact CG2-CG1 4.14Å; I141-I149 HydrophobicContact CG2-CG2 3.73Å; I142-I149 WeakPolarHBondContact O-CA 3.28Å; I143-I149 HydrophobicContact CG1-CG1 4.2Å; I149-V152 HydrophobicContact CG2-CG2 3.66Å
150	V	98.6	Very high	97	Very high	62 Å²	62	38.3 Å²	38.3	38%	0.376	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-16.1	-178	-63.3	0	0	0	0	112.9	W117 I142 N144 D148 V186	W117-V150 HydrophobicContact CH2-CG2 4.28Å; W117-V150 HydrophobicContact CZ3-CG2 3.8Å; I142-V150 HydrophobicContact CB-CG2 3.85Å; I142-V150 HydrophobicContact CG2-CG2 3.52Å; I142-V150 WeakPolarHBondContact O-CG2 3.32Å; I142-V150 PolarHBondContact O-N 3.19Å; N144-V150 HydrophobicContact CB-CG1 3.86Å; D148-V150 HydrophobicContact CB-CG1 4.47Å; D148-V150 PolarHBondContact O-N 2.95Å; V150-V186 HydrophobicContact CG2-CG1 4.04Å
151	S	98.4	Very high	95.9	Very high	20 Å²	20	39.7 Å²	39.7	14%	0.14	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	149.1	177.4	-167.9	0	0	0	0	112.4	I141 I142 I183 V186	I141-S151 WeakPolarHBondContact CA-O 3.29Å; I142-S151 PolarHBondContact N-O 3.49Å; S151-I183 WeakPolarHBondContact OG-CD1 3.34Å; S151-V186 VanDerWaalsContact CB-CG2 3.47Å
152	V	98.6	Very high	94.7	Very high	41 Å²	41	45.1 Å²	45.1	25%	0.248	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	112	172.8	-175.5	0	0	0	0	108.4	L99 H140 I141 I149	L99-V152 HydrophobicContact CD1-CG1 4.46Å; L99-V152 HydrophobicContact CD1-CG2 4.1Å; H140-V152 WeakPolarHBondContact O-CA 3.49Å; I141-V152 HydrophobicContact CG1-CG1 4.27Å; I141-V152 HydrophobicContact CG1-CG2 4.32Å; I141-V152 HydrophobicContact CG2-CG2 4.37Å; I149-V152 HydrophobicContact CG2-CG2 3.66Å
153	Y	98.7	Very high	93.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	133.5	168.4	171.2	-114.2	0	0	0	109.4	S139 H140 S156 L182 I183 L195 I197 D200	S139-Y153 CarbonylContact C-O 3.57Å; S139-Y153 VanDerWaalsContact CA-O 3.3Å; S139-Y153 WeakPolarHBondContact CA-O 3.24Å; H140-Y153 HydrophobicContact CB-CD1 4.19Å; H140-Y153 PolarHBondContact N-O 2.9Å; H140-Y153 PolarHBondContact O-N 2.88Å; Y153-S156 WeakPolarHBondContact OH-CB 3.49Å; Y153-S156 PolarHBondContact OH-N 3.5Å; Y153-S156 PolarHBondContact OH-OG 2.87Å; Y153-L182 HydrophobicContact CE2-CD2 4.05Å; Y153-I183 HydrophobicContact CD2-CG1 4.09Å; Y153-I183 HydrophobicContact CG-CG1 4.36Å; Y153-L195 HydrophobicContact CD1-CB 4.16Å; Y153-L195 HydrophobicContact CG-CB 4.04Å; Y153-I197 HydrophobicContact CD1-CD1 4.15Å; Y153-I197 HydrophobicContact CD1-CG1 3.92Å; Y153-I197 HydrophobicContact CE1-CD1 4.35Å; Y153-I197 HydrophobicContact CE1-CG1 3.94Å; Y153-D200 WeakPolarHBondContact CE1-OD2 3.31Å; Y153-D200 PolarHBondContact OH-OD1 3.37Å; Y153-D200 PolarHBondContact OH-OD2 3.35Å
154	R	98.5	Very high	91.8	Very high	85 Å²	85	54 Å²	54	32%	0.321	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	127.5	174.1	-70.5	167.4	174.3	159.8	2.5	108.5	E125 Y137 N138 S139 S156 G179	E125-R154 IonicContact OE1-CZ 2.72Å; E125-R154 IonicContact OE1-NE 3Å; E125-R154 IonicContact OE1-NH2 2.68Å; E125-R154 PolarHBondContact OE1-NH2 3.35Å; E125-R154 IonicContact OE2-CZ 3.74Å; E125-R154 IonicContact OE2-NE 3.48Å; E125-R154 PolarHBondContact OE2-NE 2.78Å; E125-R154 IonicContact OE2-NH2 3.63Å; E125-R154 PolarHBondContact OE2-NH2 3.38Å; Y137-R154 HydrophobicContact CD1-CB 4.11Å; Y137-R154 HydrophobicContact CD1-CG 4.03Å; Y137-R154 HydrophobicContact CG-CG 4.02Å; N138-R154 WeakPolarHBondContact O-CA 3.2Å; S139-R154 WeakPolarHBondContact OG-CG 3.37Å; R154-S156 PolarHBondContact O-N 3.29Å; R154-G179 WeakPolarHBondContact O-CA 3.45Å
155	K	98	Very high	90.4	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.009	32%	0.32	C	S	.	.			trans	-48.7	119.9	-176.4	-165.6	170.7	-178.8	-173	0	111.3	E80 N138 H157 L158 E172 G179 I197	E80-K155 IonicContact OE1-NZ 3.14Å; E80-K155 PolarHBondContact OE1-NZ 3.16Å; N138-K155 HydrophobicContact CB-CB 3.93Å; N138-K155 HydrophobicContact CB-CD 4.18Å; N138-K155 WeakPolarHBondContact ND2-CD 3.37Å; N138-K155 PolarHBondContact O-N 3.39Å; K155-H157 WeakPolarHBondContact CE-O 3.41Å; K155-L158 HydrophobicContact CB-CD2 4.44Å; K155-L158 HydrophobicContact CG-CD2 4.45Å; K155-E172 IonicContact NZ-OE1 3.44Å; K155-E172 PolarHBondContact NZ-OE1 2.97Å; K155-E172 VanDerWaalsContact NZ-OE1 3.14Å; K155-E172 IonicContact NZ-OE2 2.71Å; K155-E172 PolarHBondContact NZ-OE2 3.33Å; K155-G179 PolarHBondContact O-N 2.93Å; K155-I197 HydrophobicContact CB-CB 4.37Å; K155-I197 HydrophobicContact CB-CD1 4.07Å; K155-I197 HydrophobicContact CD-CB 4.05Å; K155-I197 HydrophobicContact CD-CG2 3.97Å; K155-I197 HydrophobicContact CG-CB 4.04Å
156	S	94.9	Very high	88.7	Confident	27 Å²	27	62.8 Å²	62.8	19%	0.189	34%	0.338	C	S	.	.	S	Bend	trans	-84.5	-41.2	-177.1	-54	0	0	0	0	111	Y153 R154	Y153-S156 WeakPolarHBondContact OH-CB 3.49Å; Y153-S156 PolarHBondContact OH-N 3.5Å; Y153-S156 PolarHBondContact OH-OG 2.87Å; R154-S156 PolarHBondContact O-N 3.29Å
157	H	96.5	Very high	86.9	Confident	57 Å²	57	60 Å²	60	26%	0.264	35%	0.346	S	S	.	.	S	Bend	trans	-99	106.6	-179.2	-52.4	92.6	0	0	0	110.8	K155 Y199 D200 F203	K155-H157 WeakPolarHBondContact CE-O 3.41Å; H157-Y199 HydrophobicContact CB-CD1 4.02Å; H157-D200 WeakPolarHBondContact CB-OD1 3.32Å; H157-D200 IonicContact CE1-OD1 3.69Å; H157-D200 IonicContact CG-OD1 3.66Å; H157-D200 PolarHBondContact N-OD1 3.47Å; H157-D200 IonicContact ND1-OD1 2.99Å; H157-D200 PolarHBondContact ND1-OD1 3.26Å; H157-F203 HydrophobicContact CB-CD2 3.79Å; H157-F203 HydrophobicContact CB-CE2 3.41Å; H157-F203 VanDerWaalsContact CB-CE2 3.41Å; H157-F203 HydrophobicContact CB-CZ 4.02Å; H157-F203 AromaticContact CD2-CD1 3.72Å; H157-F203 AromaticContact CD2-CD2 3.65Å; H157-F203 AromaticContact CD2-CE1 3.72Å; H157-F203 AromaticContact CD2-CE2 3.68Å; H157-F203 AromaticContact CD2-CG 3.69Å; H157-F203 AromaticContact CD2-CZ 3.7Å; H157-F203 AromaticContact CE1-CG 3.9Å; H157-F203 AromaticContact CG-CD2 3.43Å; H157-F203 VanDerWaalsContact CG-CD2 3.43Å; H157-F203 AromaticContact CG-CE2 3.49Å; H157-F203 VanDerWaalsContact CG-CE2 3.49Å; H157-F203 AromaticContact CG-CG 3.9Å; H157-F203 AromaticContact CG-CZ 3.98Å; H157-F203 AromaticContact ND1-CD2 3.73Å; H157-F203 AromaticContact NE2-CD1 3.82Å; H157-F203 AromaticContact NE2-CG 3.7Å
158	L	93.8	Very high	85.4	Confident	24 Å²	24	62.2 Å²	62.2	13%	0.126	36%	0.357	C	S	.	.			trans	-81.9	141.8	178.4	-54.9	-174.1	0	0	0	111.3	K155 D160 E172 T176 P178 Y199	K155-L158 HydrophobicContact CB-CD2 4.44Å; K155-L158 HydrophobicContact CG-CD2 4.45Å; L158-D160 PolarHBondContact O-N 3.04Å; L158-E172 HydrophobicContact CB-CB 4.31Å; L158-E172 HydrophobicContact CB-CG 4.31Å; L158-E172 HydrophobicContact CD2-CG 4.34Å; L158-T176 HydrophobicContact CD1-CG2 4.37Å; L158-T176 VanDerWaalsContact CD1-O 3.31Å; L158-T176 WeakPolarHBondContact CD1-O 3.34Å; L158-T176 HydrophobicContact CD2-CG2 3.75Å; L158-P178 HydrophobicContact CD1-CB 4.08Å; L158-P178 HydrophobicContact CD1-CG 4.42Å; L158-P178 HydrophobicContact CG-CB 4.11Å; L158-Y199 WeakPolarHBondContact O-CD1 3.41Å; L158-Y199 WeakPolarHBondContact O-CE1 3.4Å
159	F	87.3	Confident	84.1	Confident	36 Å²	36	61.8 Å²	61.8	16%	0.158	36%	0.361	C	S	.	.			trans	-82.1	93.7	-179.2	-173.9	-112.4	0	0	0	111.4	V161 L170 E172 Y199	F159-V161 HydrophobicContact CD2-CG2 3.84Å; F159-V161 HydrophobicContact CE1-CB 3.96Å; F159-V161 HydrophobicContact CE1-CG2 4.09Å; F159-V161 HydrophobicContact CE2-CB 4Å; F159-V161 HydrophobicContact CE2-CG2 3.2Å; F159-V161 HydrophobicContact CZ-CB 3.61Å; F159-V161 HydrophobicContact CZ-CG1 4.23Å; F159-V161 HydrophobicContact CZ-CG2 3.35Å; F159-L170 HydrophobicContact CD1-CB 4.14Å; F159-L170 HydrophobicContact CD1-CD1 4.39Å; F159-L170 HydrophobicContact CE1-CB 4.05Å; F159-L170 HydrophobicContact CE1-CD1 3.84Å; F159-E172 HydrophobicContact CB-CB 4.33Å; F159-E172 VanDerWaalsContact CB-OE2 3.3Å; F159-E172 WeakPolarHBondContact CB-OE2 3.15Å; F159-E172 PolarHBondContact N-OE2 3.3Å; F159-E172 VanDerWaalsContact O-CB 3.29Å; F159-E172 WeakPolarHBondContact O-CB 3.35Å; F159-E172 PolarHBondContact O-N 3.45Å; F159-E172 VanDerWaalsContact O-N 3.07Å; F159-Y199 HydrophobicContact CB-CD1 4.43Å; F159-Y199 HydrophobicContact CB-CG 4.22Å; F159-Y199 HydrophobicContact CD2-CD1 4.39Å; F159-Y199 AromaticContact CD2-CD2 3.36Å; F159-Y199 HydrophobicContact CD2-CD2 3.36Å; F159-Y199 HydrophobicContact CD2-CE1 4.44Å; F159-Y199 AromaticContact CD2-CE2 3.37Å; F159-Y199 HydrophobicContact CD2-CE2 3.37Å; F159-Y199 AromaticContact CD2-CG 3.88Å; F159-Y199 HydrophobicContact CD2-CG 3.88Å; F159-Y199 AromaticContact CD2-CZ 3.97Å; F159-Y199 AromaticContact CE2-CD2 3.96Å; F159-Y199 HydrophobicContact CE2-CD2 3.96Å; F159-Y199 AromaticContact CE2-CE2 3.72Å; F159-Y199 HydrophobicContact CE2-CE2 3.72Å; F159-Y199 HydrophobicContact CG-CD2 4.39Å
160	D	85.8	Confident	83	Confident	70 Å²	70	61.1 Å²	61.1	37%	0.374	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	108.2	168.2	-71.3	-5.1	0	0	0	109.3	L158 L170 K171 E172 S173	L158-D160 PolarHBondContact O-N 3.04Å; D160-L170 CarbonylContact C-O 3.4Å; D160-L170 WeakPolarHBondContact CA-O 3.38Å; D160-K171 VanDerWaalsContact OD1-CA 3.3Å; D160-K171 WeakPolarHBondContact OD1-CA 3.47Å; D160-E172 PolarHBondContact OD1-N 2.9Å; D160-S173 WeakPolarHBondContact OD1-CB 3.49Å; D160-S173 PolarHBondContact OD1-N 3.11Å; D160-S173 PolarHBondContact OD1-OG 2.62Å; D160-S173 VanDerWaalsContact OD1-OG 3.12Å; D160-S173 WeakPolarHBondContact OD2-CB 3.43Å; D160-S173 PolarHBondContact OD2-OG 2.89Å
161	V	76.8	Confident	82.4	Confident	29 Å²	29	63 Å²	63	18%	0.176	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	125.3	178.3	166.1	0	0	0	0	110.5	F159 L163 L170	F159-V161 HydrophobicContact CD2-CG2 3.84Å; F159-V161 HydrophobicContact CE1-CB 3.96Å; F159-V161 HydrophobicContact CE1-CG2 4.09Å; F159-V161 HydrophobicContact CE2-CB 4Å; F159-V161 HydrophobicContact CE2-CG2 3.2Å; F159-V161 HydrophobicContact CZ-CB 3.61Å; F159-V161 HydrophobicContact CZ-CG1 4.23Å; F159-V161 HydrophobicContact CZ-CG2 3.35Å; V161-L163 HydrophobicContact CG1-CD1 3.96Å; V161-L163 HydrophobicContact CG1-CD2 4.09Å; V161-L163 HydrophobicContact CG1-CG 3.57Å; V161-L170 PolarHBondContact N-O 3.05Å; V161-L170 PolarHBondContact O-N 3.42Å
162	E	73.7	Confident	81.8	Confident	115 Å²	115	63.4 Å²	63.4	54%	0.537	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	119.9	164.9	-66.6	-174.5	174.2	0	0	108.5	P164 K171	E162-P164 WeakPolarHBondContact O-CD 3.32Å; E162-K171 WeakPolarHBondContact OE1-CE 3.49Å; E162-K171 IonicContact OE1-NZ 3.54Å; E162-K171 PolarHBondContact OE1-NZ 3.5Å
163	L	68.7	Low	81.4	Confident	70 Å²	70	63.6 Å²	63.6	37%	0.366	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	80.8	171.2	-59.6	171.8	0	0	0	108.3	V161 G165 R166 G167 V168	V161-L163 HydrophobicContact CG1-CD1 3.96Å; V161-L163 HydrophobicContact CG1-CD2 4.09Å; V161-L163 HydrophobicContact CG1-CG 3.57Å; L163-G165 VanDerWaalsContact C-N 3.25Å; L163-G165 PolarHBondContact O-N 3.41Å; L163-R166 HydrophobicContact CB-CB 4.26Å; L163-R166 CarbonylContact O-C 3.57Å; L163-R166 PolarHBondContact O-N 3.3Å; L163-G167 PolarHBondContact O-N 2.81Å; L163-G167 VanDerWaalsContact O-N 3.08Å; L163-V168 HydrophobicContact CB-CB 4.23Å; L163-V168 HydrophobicContact CD1-CB 4.38Å; L163-V168 PolarHBondContact N-O 3.32Å; L163-V168 PolarHBondContact O-N 3.34Å
164	P	68.3	Low	80.8	Confident	116 Å²	116	65.8 Å²	65.8	75%	0.753	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-54.8	-41.3	-175.7	-25	33.2	0	0	0	112.6	E162 R166 G167	E162-P164 WeakPolarHBondContact O-CD 3.32Å; P164-R166 PolarHBondContact O-N 3.41Å; P164-R166 VanDerWaalsContact O-N 3.16Å; P164-G167 PolarHBondContact O-N 3.3Å
165	G	68.3	Low	80.4	Confident	83 Å²	83	63.8 Å²	63.8	86%	0.856	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-69.3	-7.6	179	0	0	0	0	0	115.5	L163	L163-G165 VanDerWaalsContact C-N 3.25Å; L163-G165 PolarHBondContact O-N 3.41Å
166	R	63.3	Low	80.2	Confident	185 Å²	185	63.9 Å²	63.9	70%	0.698	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-122.5	4.9	176	-63	-171.7	179.7	-172.9	0.3	112.8	L163 P164 V168	L163-R166 HydrophobicContact CB-CB 4.26Å; L163-R166 CarbonylContact O-C 3.57Å; L163-R166 PolarHBondContact O-N 3.3Å; P164-R166 PolarHBondContact O-N 3.41Å; P164-R166 VanDerWaalsContact O-N 3.16Å; R166-V168 HydrophobicContact CB-CG2 4.32Å; R166-V168 PolarHBondContact O-N 2.95Å
167	G	61.1	Low	80.3	Confident	72 Å²	72	63.9 Å²	63.9	74%	0.742	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	18.6	-177.9	0	0	0	0	0	114.6	L163 P164	L163-G167 PolarHBondContact O-N 2.81Å; L163-G167 VanDerWaalsContact O-N 3.08Å; P164-G167 PolarHBondContact O-N 3.3Å
168	V	65.9	Low	80.3	Confident	57 Å²	57	64.1 Å²	64.1	35%	0.345	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	120.7	179.7	-179.9	0	0	0	0	108.9	L163 R166 L170	L163-V168 HydrophobicContact CB-CB 4.23Å; L163-V168 HydrophobicContact CD1-CB 4.38Å; L163-V168 PolarHBondContact N-O 3.32Å; L163-V168 PolarHBondContact O-N 3.34Å; R166-V168 HydrophobicContact CB-CG2 4.32Å; R166-V168 PolarHBondContact O-N 2.95Å; V168-L170 HydrophobicContact CG1-CD1 4.29Å; V168-L170 HydrophobicContact CG1-CG 4.4Å
169	S	72.2	Confident	80.5	Confident	78 Å²	78	63.6 Å²	63.6	55%	0.545	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	114.4	168.9	-173.4	0	0	0	0	108.5
170	L	76	Confident	80.8	Confident	55 Å²	55	67.9 Å²	67.9	29%	0.288	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	117	175.5	-74.3	169.4	0	0	0	107.5	F159 D160 V161 V168 T225	F159-L170 HydrophobicContact CD1-CB 4.14Å; F159-L170 HydrophobicContact CD1-CD1 4.39Å; F159-L170 HydrophobicContact CE1-CB 4.05Å; F159-L170 HydrophobicContact CE1-CD1 3.84Å; D160-L170 CarbonylContact C-O 3.4Å; D160-L170 WeakPolarHBondContact CA-O 3.38Å; V161-L170 PolarHBondContact N-O 3.05Å; V161-L170 PolarHBondContact O-N 3.42Å; V168-L170 HydrophobicContact CG1-CD1 4.29Å; V168-L170 HydrophobicContact CG1-CG 4.4Å; L170-T225 HydrophobicContact CD1-CG2 4.35Å
171	K	84.9	Confident	81.2	Confident	102 Å²	102	68 Å²	68	44%	0.443	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	85.9	176.5	-67.2	-173.5	179.4	-178.6	0	109.3	D160 E162 S173 A174	D160-K171 VanDerWaalsContact OD1-CA 3.3Å; D160-K171 WeakPolarHBondContact OD1-CA 3.47Å; E162-K171 WeakPolarHBondContact OE1-CE 3.49Å; E162-K171 IonicContact OE1-NZ 3.54Å; E162-K171 PolarHBondContact OE1-NZ 3.5Å; K171-S173 PolarHBondContact O-N 3.1Å; K171-A174 HydrophobicContact CB-CB 4.18Å; K171-A174 WeakPolarHBondContact O-CB 3.4Å; K171-A174 PolarHBondContact O-N 2.87Å
172	E	86.4	Confident	82	Confident	28 Å²	28	69.8 Å²	69.8	13%	0.131	43%	0.43	C	S	.	.	G	3₁₀ helix	trans	-59.4	-36	176.2	-175.6	174.4	-166.7	0	0	110.6	N138 K155 L158 F159 D160 A174 F175 T176	N138-E172 PolarHBondContact ND2-OE1 3.01Å; K155-E172 IonicContact NZ-OE1 3.44Å; K155-E172 PolarHBondContact NZ-OE1 2.97Å; K155-E172 VanDerWaalsContact NZ-OE1 3.14Å; K155-E172 IonicContact NZ-OE2 2.71Å; K155-E172 PolarHBondContact NZ-OE2 3.33Å; L158-E172 HydrophobicContact CB-CB 4.31Å; L158-E172 HydrophobicContact CB-CG 4.31Å; L158-E172 HydrophobicContact CD2-CG 4.34Å; F159-E172 HydrophobicContact CB-CB 4.33Å; F159-E172 VanDerWaalsContact CB-OE2 3.3Å; F159-E172 WeakPolarHBondContact CB-OE2 3.15Å; F159-E172 PolarHBondContact N-OE2 3.3Å; F159-E172 VanDerWaalsContact O-CB 3.29Å; F159-E172 WeakPolarHBondContact O-CB 3.35Å; F159-E172 PolarHBondContact O-N 3.45Å; F159-E172 VanDerWaalsContact O-N 3.07Å; D160-E172 PolarHBondContact OD1-N 2.9Å; E172-A174 PolarHBondContact O-N 3.23Å; E172-A174 VanDerWaalsContact O-N 3.09Å; E172-F175 PolarHBondContact O-N 3.32Å; E172-T176 HydrophobicContact CG-CG2 4.31Å; E172-T176 VanDerWaalsContact O-CB 3.28Å; E172-T176 WeakPolarHBondContact O-CB 3.44Å; E172-T176 PolarHBondContact O-N 3.25Å; E172-T176 PolarHBondContact O-OG1 2.95Å
173	S	89.6	Confident	83.1	Confident	44 Å²	44	65.9 Å²	65.9	31%	0.308	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-62.2	-19.8	-179.8	70.8	0	0	0	0	115	D160 K171 F175	D160-S173 WeakPolarHBondContact OD1-CB 3.49Å; D160-S173 PolarHBondContact OD1-N 3.11Å; D160-S173 PolarHBondContact OD1-OG 2.62Å; D160-S173 VanDerWaalsContact OD1-OG 3.12Å; D160-S173 WeakPolarHBondContact OD2-CB 3.43Å; D160-S173 PolarHBondContact OD2-OG 2.89Å; K171-S173 PolarHBondContact O-N 3.1Å; S173-F175 PolarHBondContact O-N 2.94Å
174	A	87.7	Confident	84.4	Confident	47 Å²	47	67 Å²	67	39%	0.388	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-66.6	-18.6	-177.7	0	0	0	0	0	113.5	R89 K171 E172	R89-A174 PolarHBondContact NH1-O 2.78Å; R89-A174 PolarHBondContact NH2-O 2.99Å; K171-A174 HydrophobicContact CB-CB 4.18Å; K171-A174 WeakPolarHBondContact O-CB 3.4Å; K171-A174 PolarHBondContact O-N 2.87Å; E172-A174 PolarHBondContact O-N 3.23Å; E172-A174 VanDerWaalsContact O-N 3.09Å
175	F	88.4	Confident	85.9	Confident	42 Å²	42	62.4 Å²	62.4	18%	0.184	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-145.8	-10.9	179.4	61.4	-86.9	0	0	0	114.3	R89 T92 L93 R135 I136 E172 S173	R89-F175 HydrophobicContact CG-CB 4.37Å; R89-F175 HydrophobicContact CG-CD1 4.03Å; R89-F175 HydrophobicContact CG-CG 4.14Å; T92-F175 HydrophobicContact CG2-CE2 4.13Å; L93-F175 HydrophobicContact CD2-CB 4.31Å; L93-F175 HydrophobicContact CD2-CD2 4.26Å; R135-F175 VanDerWaalsContact CA-O 3.3Å; R135-F175 WeakPolarHBondContact CA-O 3.39Å; R135-F175 WeakPolarHBondContact CB-O 3.38Å; I136-F175 HydrophobicContact CD1-CD2 4.07Å; I136-F175 HydrophobicContact CD1-CE2 4.18Å; I136-F175 HydrophobicContact CG1-CD2 4.2Å; I136-F175 PolarHBondContact N-O 3.18Å; E172-F175 PolarHBondContact O-N 3.32Å; S173-F175 PolarHBondContact O-N 2.94Å
176	T	95.1	Very high	87.3	Confident	5 Å²	5	59.4 Å²	59.4	3%	0.031	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-96.9	140	173.1	-51.8	0	0	0	0	110.7	R135 I136 N138 L158 E172	R135-T176 PolarHBondContact NH2-O 3.48Å; I136-T176 CarbonylContact O-C 3.38Å; I136-T176 WeakPolarHBondContact O-CA 3.33Å; N138-T176 HydrophobicContact CB-CG2 4.24Å; L158-T176 HydrophobicContact CD1-CG2 4.37Å; L158-T176 VanDerWaalsContact CD1-O 3.31Å; L158-T176 WeakPolarHBondContact CD1-O 3.34Å; L158-T176 HydrophobicContact CD2-CG2 3.75Å; E172-T176 HydrophobicContact CG-CG2 4.31Å; E172-T176 VanDerWaalsContact O-CB 3.28Å; E172-T176 WeakPolarHBondContact O-CB 3.44Å; E172-T176 PolarHBondContact O-N 3.25Å; E172-T176 PolarHBondContact O-OG1 2.95Å
177	I	96.7	Very high	89	Confident	26 Å²	26	56 Å²	56	13%	0.133	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-91.4	128.5	174.4	-50.5	170.9	0	0	0	107.8	R135 I136 Y137	R135-I177 HydrophobicContact CB-CD1 3.84Å; R135-I177 HydrophobicContact CB-CG1 3.57Å; I136-I177 PolarHBondContact O-N 3.12Å; Y137-I177 HydrophobicContact CD1-CB 3.7Å; Y137-I177 HydrophobicContact CD1-CG2 4.11Å; Y137-I177 VanDerWaalsContact CD1-O 3.32Å; Y137-I177 WeakPolarHBondContact CD1-O 3.26Å; Y137-I177 HydrophobicContact CE1-CB 3.44Å; Y137-I177 VanDerWaalsContact CE1-CB 3.44Å; Y137-I177 HydrophobicContact CE1-CD1 4.17Å; Y137-I177 HydrophobicContact CE1-CG1 4.39Å; Y137-I177 HydrophobicContact CE1-CG2 3.36Å; Y137-I177 HydrophobicContact CE2-CD1 4.06Å; Y137-I177 HydrophobicContact CG-CB 4.47Å
178	P	97.1	Very high	90.8	Very high	63 Å²	63	53 Å²	53	41%	0.409	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-69.1	139.5	174.6	28.5	-32.9	0	0	0	110.2	L158	L158-P178 HydrophobicContact CD1-CB 4.08Å; L158-P178 HydrophobicContact CD1-CG 4.42Å; L158-P178 HydrophobicContact CG-CB 4.11Å
179	G	96.7	Very high	92.4	Very high	12 Å²	12	53.3 Å²	53.3	12%	0.124	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-62.6	139.1	171.1	0	0	0	0	0	111.4	R154 K155	R154-G179 WeakPolarHBondContact O-CA 3.45Å; K155-G179 PolarHBondContact O-N 2.93Å
180	S	93.9	Very high	93.6	Very high	126 Å²	126	49.6 Å²	49.6	88%	0.881	30%	0.295	S	S	*	.	S	Bend	trans	-83.1	-13.3	-173	53.3	0	0	0	0	114.8
181	S	93.7	Very high	94.7	Very high	72 Å²	72	47.1 Å²	47.1	50%	0.503	28%	0.283	S	S	.	.	S	Bend	trans	-157.4	157.4	-177.4	58	0	0	0	0	112.7
182	L	94.4	Very high	95.3	Very high	68 Å²	68	46.2 Å²	46.2	36%	0.356	28%	0.279	S	S	.	.			trans	-74.9	153	161.8	-61.5	-178.4	0	0	0	109.8	Y153 L206 A209	Y153-L182 HydrophobicContact CE2-CD2 4.05Å; L182-L206 HydrophobicContact CD1-CG 4.42Å; L182-L206 HydrophobicContact CD2-CD1 3.67Å; L182-L206 HydrophobicContact CD2-CG 3.79Å; L182-A209 HydrophobicContact CD1-CB 3.73Å
183	I	96.3	Very high	95.9	Very high	33 Å²	33	44.9 Å²	44.9	17%	0.169	27%	0.273	C	S	.	.			trans	-107.9	149.6	172	56	155.1	0	0	0	110.2	S151 Y153 L195 L210	S151-I183 WeakPolarHBondContact OG-CD1 3.34Å; Y153-I183 HydrophobicContact CD2-CG1 4.09Å; Y153-I183 HydrophobicContact CG-CG1 4.36Å; I183-L195 HydrophobicContact CD1-CB 4.15Å; I183-L195 HydrophobicContact CD1-CD1 3.53Å; I183-L195 HydrophobicContact CD1-CG 3.86Å; I183-L210 WeakPolarHBondContact O-CD2 3.31Å
184	P	97.6	Very high	96.4	Very high	93 Å²	93	42.8 Å²	42.8	60%	0.604	26%	0.258	S	S	*	.	P	Polyproline II helix	trans	-61.4	151.7	173.4	-22.8	34	0	0	0	112.3	V186	P184-V186 PolarHBondContact O-N 3.42Å
185	P	98.7	Very high	96.9	Very high	20 Å²	20	40.7 Å²	40.7	13%	0.13	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-56.5	136.4	172.2	-24.7	35.1	0	0	0	112	K192 V193 L210 Q213 A215	P185-K192 HydrophobicContact CB-CB 4.2Å; P185-V193 CarbonylContact C-O 3.53Å; P185-V193 VanDerWaalsContact CA-O 3.27Å; P185-V193 WeakPolarHBondContact CA-O 3.39Å; P185-L210 HydrophobicContact CG-CD2 4.39Å; P185-Q213 VanDerWaalsContact CD-CB 3.45Å; P185-Q213 HydrophobicContact CG-CB 3.99Å; P185-A215 HydrophobicContact CB-CB 4.18Å; P185-A215 HydrophobicContact CG-CB 3.75Å
186	V	98.6	Very high	97.4	Very high	19 Å²	19	38.7 Å²	38.7	12%	0.115	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	130.4	-176.9	-174.1	0	0	0	0	109.3	W117 I142 V150 S151 P184 T188 K192 V193	W117-V186 HydrophobicContact CZ3-CG1 4.28Å; I142-V186 HydrophobicContact CG1-CG2 4.45Å; I142-V186 HydrophobicContact CG2-CG1 4.5Å; V150-V186 HydrophobicContact CG2-CG1 4.04Å; S151-V186 VanDerWaalsContact CB-CG2 3.47Å; P184-V186 PolarHBondContact O-N 3.42Å; V186-T188 HydrophobicContact CB-CG2 4.4Å; V186-T188 HydrophobicContact CG1-CG2 4.23Å; V186-T188 WeakPolarHBondContact O-CG2 3.2Å; V186-T188 PolarHBondContact O-N 3.34Å; V186-K192 CarbonylContact O-C 3.59Å; V186-K192 WeakPolarHBondContact O-CA 3.43Å; V186-V193 PolarHBondContact N-O 3.29Å; V186-V193 PolarHBondContact O-N 3.22Å
187	Q	98.6	Very high	97.5	Very high	115 Å²	115	38.5 Å²	38.5	54%	0.537	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	122.5	170.8	-175.9	63.1	59.6	0	0	109.8	W117 K192	W117-Q187 WeakPolarHBondContact CH2-O 3.49Å; Q187-K192 VanDerWaalsContact OE1-CG 3.32Å
188	T	98.8	Very high	97.6	Very high	8 Å²	8	37.8 Å²	37.8	5%	0.049	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	173.4	-179.9	77.2	0	0	0	0	110.7	M75 W117 V186 I190 G191 V193	M75-T188 HydrophobicContact CE-CG2 4.32Å; M75-T188 HydrophobicContact SD-CG2 4.03Å; W117-T188 HydrophobicContact CE3-CG2 3.82Å; W117-T188 HydrophobicContact CZ3-CG2 3.69Å; V186-T188 HydrophobicContact CB-CG2 4.4Å; V186-T188 HydrophobicContact CG1-CG2 4.23Å; V186-T188 WeakPolarHBondContact O-CG2 3.2Å; V186-T188 PolarHBondContact O-N 3.34Å; T188-I190 PolarHBondContact O-N 2.7Å; T188-I190 VanDerWaalsContact OG1-CG1 3.25Å; T188-I190 WeakPolarHBondContact OG1-CG1 3.3Å; T188-I190 PolarHBondContact OG1-N 2.83Å; T188-G191 WeakPolarHBondContact CB-O 3.23Å; T188-G191 PolarHBondContact N-O 2.93Å; T188-G191 PolarHBondContact O-N 3.38Å; T188-G191 PolarHBondContact OG1-N 2.68Å; T188-G191 PolarHBondContact OG1-O 3.43Å; T188-V193 HydrophobicContact CG2-CB 4.12Å; T188-V193 HydrophobicContact CG2-CG2 3.63Å
189	P	98.2	Very high	97.6	Very high	63 Å²	63	37 Å²	37	41%	0.409	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-20.7	175	-24.6	35.5	0	0	0	114.6	P41 W117	P41-P189 VanDerWaalsContact CG-O 3.25Å; P41-P189 WeakPolarHBondContact CG-O 3.24Å; W117-P189 HydrophobicContact CD2-CG 4.28Å; W117-P189 VanDerWaalsContact CE2-CD 3.44Å; W117-P189 HydrophobicContact CG-CG 4.14Å
190	I	98.3	Very high	97.7	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-4.6	-179.7	66.2	165.2	0	0	0	113.2	P41 A43 S74 M75 F77 T188 V193 I217 L249 I292	P41-I190 HydrophobicContact CB-CB 4.27Å; P41-I190 HydrophobicContact CB-CG2 3.77Å; A43-I190 HydrophobicContact CB-CD1 4.13Å; S74-I190 WeakPolarHBondContact OG-CG2 3.28Å; M75-I190 HydrophobicContact CB-CD1 4.26Å; M75-I190 HydrophobicContact CB-CG1 4.5Å; M75-I190 HydrophobicContact CB-CG2 4.13Å; M75-I190 HydrophobicContact CG-CD1 4.49Å; M75-I190 HydrophobicContact SD-CD1 3.89Å; M75-I190 HydrophobicContact SD-CG1 4.02Å; F77-I190 HydrophobicContact CE2-CD1 3.84Å; F77-I190 HydrophobicContact CZ-CD1 3.64Å; T188-I190 PolarHBondContact O-N 2.7Å; T188-I190 VanDerWaalsContact OG1-CG1 3.25Å; T188-I190 WeakPolarHBondContact OG1-CG1 3.3Å; T188-I190 PolarHBondContact OG1-N 2.83Å; I190-V193 HydrophobicContact CD1-CG2 4.32Å; I190-V193 HydrophobicContact CG1-CG2 4.23Å; I190-I217 HydrophobicContact CB-CD1 4.19Å; I190-I217 HydrophobicContact CD1-CD1 3.47Å; I190-I217 VanDerWaalsContact CD1-CD1 3.47Å; I190-I217 HydrophobicContact CG1-CD1 3.56Å; I190-I217 WeakPolarHBondContact O-CD1 3.34Å; I190-L249 HydrophobicContact CD1-CD1 4.17Å; I190-I292 HydrophobicContact CB-CB 4.47Å; I190-I292 HydrophobicContact CB-CG1 4.31Å; I190-I292 WeakPolarHBondContact O-CG2 3.36Å
191	G	98.4	Very high	97.9	Very high	3 Å²	3	30.4 Å²	30.4	3%	0.031	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	128.4	-171.1	-174.3	0	0	0	0	0	113.2	T188 E216	T188-G191 WeakPolarHBondContact CB-O 3.23Å; T188-G191 PolarHBondContact N-O 2.93Å; T188-G191 PolarHBondContact O-N 3.38Å; T188-G191 PolarHBondContact OG1-N 2.68Å; T188-G191 PolarHBondContact OG1-O 3.43Å; G191-E216 WeakPolarHBondContact CA-OE2 3.16Å
192	K	98.8	Very high	98.1	Very high	83 Å²	83	30.2 Å²	30.2	36%	0.361	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	111.7	176.3	-71.9	-179.2	178.3	-179.9	0	111.7	P185 V186 Q187 G214 E216 I217	P185-K192 HydrophobicContact CB-CB 4.2Å; V186-K192 CarbonylContact O-C 3.59Å; V186-K192 WeakPolarHBondContact O-CA 3.43Å; Q187-K192 VanDerWaalsContact OE1-CG 3.32Å; K192-G214 WeakPolarHBondContact CB-O 3.05Å; K192-G214 WeakPolarHBondContact CD-O 3.3Å; K192-E216 HydrophobicContact CB-CG 4.35Å; K192-E216 PolarHBondContact N-OE2 2.66Å; K192-E216 PolarHBondContact O-N 2.84Å; K192-I217 PolarHBondContact O-N 3.47Å
193	V	98.9	Very high	98.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	114.5	-174.4	-175.4	0	0	0	0	110.7	M75 F77 P185 V186 T188 I190 L195 I217 T219	M75-V193 HydrophobicContact SD-CG2 4.33Å; F77-V193 HydrophobicContact CE1-CG1 4.36Å; P185-V193 CarbonylContact C-O 3.53Å; P185-V193 VanDerWaalsContact CA-O 3.27Å; P185-V193 WeakPolarHBondContact CA-O 3.39Å; V186-V193 PolarHBondContact N-O 3.29Å; V186-V193 PolarHBondContact O-N 3.22Å; T188-V193 HydrophobicContact CG2-CB 4.12Å; T188-V193 HydrophobicContact CG2-CG2 3.63Å; I190-V193 HydrophobicContact CD1-CG2 4.32Å; I190-V193 HydrophobicContact CG1-CG2 4.23Å; V193-L195 HydrophobicContact CG1-CD2 3.82Å; V193-I217 CarbonylContact C-O 3.48Å; V193-I217 WeakPolarHBondContact CA-O 3.47Å; V193-I217 HydrophobicContact CG2-CB 4.27Å; V193-I217 HydrophobicContact CG2-CD1 4.16Å; V193-T219 HydrophobicContact CG1-CG2 3.64Å
194	G	98.8	Very high	98.3	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	136	170.1	0	0	0	0	0	111.8	I217 T219	G194-I217 PolarHBondContact N-O 2.74Å; G194-T219 PolarHBondContact O-N 2.75Å; G194-T219 VanDerWaalsContact O-N 3.12Å; G194-T219 PolarHBondContact O-OG1 3.24Å
195	L	98.8	Very high	98.2	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.01	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	126.9	-173.1	-50.1	-166.3	0	0	0	111.9	I142 Y153 I183 V193 T219	I142-L195 HydrophobicContact CD1-CD1 4.09Å; I142-L195 HydrophobicContact CD1-CD2 3.78Å; I142-L195 HydrophobicContact CG1-CD1 3.63Å; I142-L195 HydrophobicContact CG1-CD2 3.98Å; I142-L195 HydrophobicContact CG1-CG 4.44Å; Y153-L195 HydrophobicContact CD1-CB 4.16Å; Y153-L195 HydrophobicContact CG-CB 4.04Å; I183-L195 HydrophobicContact CD1-CB 4.15Å; I183-L195 HydrophobicContact CD1-CD1 3.53Å; I183-L195 HydrophobicContact CD1-CG 3.86Å; V193-L195 HydrophobicContact CG1-CD2 3.82Å; L195-T219 WeakPolarHBondContact CA-OG1 3.27Å
196	G	98.6	Very high	98.2	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.01	15%	0.149	C	C	.	.			trans	-134.8	173.5	162.8	0	0	0	0	0	109.6	H140 T219 P221	H140-G196 PolarHBondContact ND1-O 3.25Å; H140-G196 VanDerWaalsContact ND1-O 3.14Å; G196-T219 CarbonylContact C-O 3.56Å; G196-T219 WeakPolarHBondContact CA-O 3.28Å; G196-T219 PolarHBondContact N-O 2.83Å; G196-T219 VanDerWaalsContact N-O 3.1Å; G196-P221 VanDerWaalsContact O-CD 3.3Å; G196-P221 WeakPolarHBondContact O-CD 3.5Å
197	I	98.8	Very high	98.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.144	C	C	.	.			trans	-139.7	123.7	174.5	-53	179.4	0	0	0	109.3	E80 N138 H140 Y153 K155 Y199 D200 P221	E80-I197 HydrophobicContact CB-CG2 4.17Å; E80-I197 HydrophobicContact CG-CG2 3.94Å; E80-I197 WeakPolarHBondContact OE1-CG2 3.22Å; N138-I197 WeakPolarHBondContact O-CD1 3.41Å; N138-I197 WeakPolarHBondContact OD1-CD1 3.34Å; H140-I197 HydrophobicContact CB-CD1 3.51Å; H140-I197 HydrophobicContact CB-CG1 3.68Å; Y153-I197 HydrophobicContact CD1-CD1 4.15Å; Y153-I197 HydrophobicContact CD1-CG1 3.92Å; Y153-I197 HydrophobicContact CE1-CD1 4.35Å; Y153-I197 HydrophobicContact CE1-CG1 3.94Å; K155-I197 HydrophobicContact CB-CB 4.37Å; K155-I197 HydrophobicContact CB-CD1 4.07Å; K155-I197 HydrophobicContact CD-CB 4.05Å; K155-I197 HydrophobicContact CD-CG2 3.97Å; K155-I197 HydrophobicContact CG-CB 4.04Å; I197-Y199 PolarHBondContact O-N 3.3Å; I197-D200 PolarHBondContact N-OD2 3.1Å; I197-D200 WeakPolarHBondContact O-CB 3.5Å; I197-D200 PolarHBondContact O-N 3.4Å; I197-D200 VanDerWaalsContact O-OD2 3.11Å; I197-P221 HydrophobicContact CG1-CG 4.47Å
198	C	97.8	Very high	98.1	Very high	12 Å²	12	25.6 Å²	25.6	8%	0.081	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	46.7	-98.1	164.3	-169.9	0	0	0	0	115.5	E80 D200 L201 P221 S222 F224	E80-C198 WeakPolarHBondContact OE2-CB 3.24Å; E80-C198 PolarHBondContact OE2-SG 2.9Å; C198-D200 PolarHBondContact O-N 3.09Å; C198-L201 WeakPolarHBondContact O-CB 3.24Å; C198-L201 PolarHBondContact O-N 2.77Å; C198-P221 PolarHBondContact N-O 2.9Å; C198-S222 WeakPolarHBondContact CA-OG 3.46Å; C198-F224 HydrophobicContact CB-CE2 4.47Å; C198-F224 VanDerWaalsContact SG-CD2 3.56Å; C198-F224 VanDerWaalsContact SG-CE2 3.59Å
199	Y	97.4	Very high	98	Very high	45 Å²	45	26.4 Å²	26.4	18%	0.176	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-64.5	-24.3	-175.2	-161	-129	0	0	0	113.5	H157 L158 F159 I197 L201 R202 F203	H157-Y199 HydrophobicContact CB-CD1 4.02Å; L158-Y199 WeakPolarHBondContact O-CD1 3.41Å; L158-Y199 WeakPolarHBondContact O-CE1 3.4Å; F159-Y199 HydrophobicContact CB-CD1 4.43Å; F159-Y199 HydrophobicContact CB-CG 4.22Å; F159-Y199 HydrophobicContact CD2-CD1 4.39Å; F159-Y199 AromaticContact CD2-CD2 3.36Å; F159-Y199 HydrophobicContact CD2-CD2 3.36Å; F159-Y199 HydrophobicContact CD2-CE1 4.44Å; F159-Y199 AromaticContact CD2-CE2 3.37Å; F159-Y199 HydrophobicContact CD2-CE2 3.37Å; F159-Y199 AromaticContact CD2-CG 3.88Å; F159-Y199 HydrophobicContact CD2-CG 3.88Å; F159-Y199 AromaticContact CD2-CZ 3.97Å; F159-Y199 AromaticContact CE2-CD2 3.96Å; F159-Y199 HydrophobicContact CE2-CD2 3.96Å; F159-Y199 AromaticContact CE2-CE2 3.72Å; F159-Y199 HydrophobicContact CE2-CE2 3.72Å; F159-Y199 HydrophobicContact CG-CD2 4.39Å; I197-Y199 PolarHBondContact O-N 3.3Å; Y199-L201 PolarHBondContact O-N 3.06Å; Y199-L201 VanDerWaalsContact O-N 3.09Å; Y199-R202 HydrophobicContact CD2-CG 4.1Å; Y199-R202 HydrophobicContact CE2-CG 4.21Å; Y199-R202 VanDerWaalsContact CE2-NE 3.31Å; Y199-R202 WeakPolarHBondContact O-CB 3.16Å; Y199-R202 PolarHBondContact O-N 2.79Å; Y199-F203 AromaticContact CD1-CE2 3.79Å; Y199-F203 HydrophobicContact CD1-CE2 3.79Å; Y199-F203 HydrophobicContact CD1-CZ 4.29Å; Y199-F203 AromaticContact CE1-CE2 3.87Å; Y199-F203 HydrophobicContact CE1-CE2 3.87Å; Y199-F203 AromaticContact CE1-CZ 3.93Å; Y199-F203 HydrophobicContact CE1-CZ 3.93Å; Y199-F203 HydrophobicContact CG-CE2 4.33Å; Y199-F203 VanDerWaalsContact O-CD2 3.29Å; Y199-F203 WeakPolarHBondContact O-CD2 3.49Å; Y199-F203 WeakPolarHBondContact O-CE2 3.2Å
200	D	98.2	Very high	98.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-52.7	-29.2	169.9	-69.5	-35.9	0	0	0	112.5	Y153 H157 I197 C198 R202 F203 L206	Y153-D200 WeakPolarHBondContact CE1-OD2 3.31Å; Y153-D200 PolarHBondContact OH-OD1 3.37Å; Y153-D200 PolarHBondContact OH-OD2 3.35Å; H157-D200 WeakPolarHBondContact CB-OD1 3.32Å; H157-D200 IonicContact CE1-OD1 3.69Å; H157-D200 IonicContact CG-OD1 3.66Å; H157-D200 PolarHBondContact N-OD1 3.47Å; H157-D200 IonicContact ND1-OD1 2.99Å; H157-D200 PolarHBondContact ND1-OD1 3.26Å; I197-D200 PolarHBondContact N-OD2 3.1Å; I197-D200 WeakPolarHBondContact O-CB 3.5Å; I197-D200 PolarHBondContact O-N 3.4Å; I197-D200 VanDerWaalsContact O-OD2 3.11Å; C198-D200 PolarHBondContact O-N 3.09Å; D200-R202 PolarHBondContact O-N 3.22Å; D200-R202 VanDerWaalsContact O-N 3.11Å; D200-F203 PolarHBondContact O-N 2.87Å; D200-L206 HydrophobicContact CB-CD1 3.73Å; D200-L206 HydrophobicContact CB-CD2 4.48Å
201	L	98.1	Very high	98	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-55.3	-30.2	176.2	179.6	56.2	0	0	0	112.7	C198 Y199 F203 Y220 F224 W233 L236 L237 R240	C198-L201 WeakPolarHBondContact O-CB 3.24Å; C198-L201 PolarHBondContact O-N 2.77Å; Y199-L201 PolarHBondContact O-N 3.06Å; Y199-L201 VanDerWaalsContact O-N 3.09Å; L201-F203 PolarHBondContact O-N 3.1Å; L201-Y220 HydrophobicContact CB-CD1 3.72Å; L201-Y220 HydrophobicContact CB-CE1 4.21Å; L201-Y220 HydrophobicContact CB-CG 4.07Å; L201-Y220 HydrophobicContact CD1-CD1 4.08Å; L201-Y220 HydrophobicContact CD1-CD2 3.87Å; L201-Y220 HydrophobicContact CD1-CE1 4.15Å; L201-Y220 HydrophobicContact CD1-CE2 3.95Å; L201-Y220 HydrophobicContact CD1-CG 3.94Å; L201-Y220 HydrophobicContact CG-CD1 4.48Å; L201-Y220 HydrophobicContact CG-CG 4.46Å; L201-F224 HydrophobicContact CD2-CZ 4Å; L201-W233 HydrophobicContact CD2-CE3 3.93Å; L201-W233 HydrophobicContact CD2-CZ3 3.81Å; L201-L236 HydrophobicContact CD1-CB 4.07Å; L201-L236 HydrophobicContact CD2-CB 3.77Å; L201-L236 HydrophobicContact CD2-CD1 4.37Å; L201-L236 HydrophobicContact CG-CB 3.74Å; L201-L236 HydrophobicContact CG-CD1 4.28Å; L201-L237 HydrophobicContact CD1-CD2 3.84Å; L201-L237 HydrophobicContact CD2-CD2 3.66Å; L201-L237 HydrophobicContact CD2-CG 3.91Å; L201-L237 HydrophobicContact CG-CD2 4.4Å; L201-R240 HydrophobicContact CD1-CG 3.5Å; L201-R240 VanDerWaalsContact O-CZ 3.28Å; L201-R240 PolarHBondContact O-NE 2.81Å; L201-R240 PolarHBondContact O-NH2 3Å
202	R	97.6	Very high	97.9	Very high	69 Å²	69	32 Å²	32	26%	0.26	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-73.7	-16.1	-178.7	-62	-165.6	-175	-81.8	-12.8	113.7	Y199 D200 P204 H232 L236 R240	Y199-R202 HydrophobicContact CD2-CG 4.1Å; Y199-R202 HydrophobicContact CE2-CG 4.21Å; Y199-R202 VanDerWaalsContact CE2-NE 3.31Å; Y199-R202 WeakPolarHBondContact O-CB 3.16Å; Y199-R202 PolarHBondContact O-N 2.79Å; D200-R202 PolarHBondContact O-N 3.22Å; D200-R202 VanDerWaalsContact O-N 3.11Å; R202-P204 VanDerWaalsContact O-CD 3.27Å; R202-P204 WeakPolarHBondContact O-CD 3.39Å; R202-H232 PolarHBondContact NH1-ND1 2.98Å; R202-L236 HydrophobicContact CG-CD1 4.2Å; R202-R240 PolarHBondContact O-NH2 3.14Å
203	F	97.9	Very high	97.9	Very high	59 Å²	59	34.2 Å²	34.2	26%	0.259	16%	0.158	S	C	.	.			trans	-106.3	95.2	-173.6	-57	-90.7	0	0	0	109.5	H157 Y199 D200 L201 E205 L206	H157-F203 HydrophobicContact CB-CD2 3.79Å; H157-F203 HydrophobicContact CB-CE2 3.41Å; H157-F203 VanDerWaalsContact CB-CE2 3.41Å; H157-F203 HydrophobicContact CB-CZ 4.02Å; H157-F203 AromaticContact CD2-CD1 3.72Å; H157-F203 AromaticContact CD2-CD2 3.65Å; H157-F203 AromaticContact CD2-CE1 3.72Å; H157-F203 AromaticContact CD2-CE2 3.68Å; H157-F203 AromaticContact CD2-CG 3.69Å; H157-F203 AromaticContact CD2-CZ 3.7Å; H157-F203 AromaticContact CE1-CG 3.9Å; H157-F203 AromaticContact CG-CD2 3.43Å; H157-F203 VanDerWaalsContact CG-CD2 3.43Å; H157-F203 AromaticContact CG-CE2 3.49Å; H157-F203 VanDerWaalsContact CG-CE2 3.49Å; H157-F203 AromaticContact CG-CG 3.9Å; H157-F203 AromaticContact CG-CZ 3.98Å; H157-F203 AromaticContact ND1-CD2 3.73Å; H157-F203 AromaticContact NE2-CD1 3.82Å; H157-F203 AromaticContact NE2-CG 3.7Å; Y199-F203 AromaticContact CD1-CE2 3.79Å; Y199-F203 HydrophobicContact CD1-CE2 3.79Å; Y199-F203 HydrophobicContact CD1-CZ 4.29Å; Y199-F203 AromaticContact CE1-CE2 3.87Å; Y199-F203 HydrophobicContact CE1-CE2 3.87Å; Y199-F203 AromaticContact CE1-CZ 3.93Å; Y199-F203 HydrophobicContact CE1-CZ 3.93Å; Y199-F203 HydrophobicContact CG-CE2 4.33Å; Y199-F203 VanDerWaalsContact O-CD2 3.29Å; Y199-F203 WeakPolarHBondContact O-CD2 3.49Å; Y199-F203 WeakPolarHBondContact O-CE2 3.2Å; D200-F203 PolarHBondContact O-N 2.87Å; L201-F203 PolarHBondContact O-N 3.1Å; F203-E205 PolarHBondContact O-N 3.36Å; F203-E205 VanDerWaalsContact O-N 3.17Å; F203-L206 PolarHBondContact O-N 3.12Å
204	P	97.3	Very high	97.8	Very high	38 Å²	38	35.7 Å²	35.7	25%	0.247	17%	0.174	C	C	.	.	H	α-helix	trans	-58.6	-28.3	-178.5	23.8	-32.9	0	0	0	112.7	R202 L206 S207 L208	R202-P204 VanDerWaalsContact O-CD 3.27Å; R202-P204 WeakPolarHBondContact O-CD 3.39Å; P204-L206 VanDerWaalsContact C-N 3.28Å; P204-L206 PolarHBondContact O-N 2.77Å; P204-S207 WeakPolarHBondContact O-CB 3.19Å; P204-S207 PolarHBondContact O-N 3.1Å; P204-L208 WeakPolarHBondContact O-CG 3.29Å; P204-L208 PolarHBondContact O-N 2.83Å
205	E	96.8	Very high	97.8	Very high	119 Å²	119	35.9 Å²	35.9	56%	0.556	18%	0.175	S	C	*	.	H	α-helix	trans	-57.7	-39.8	-179.1	-59.3	75.7	-165.4	0	0	112.2	F203 S207 L208 A209	F203-E205 PolarHBondContact O-N 3.36Å; F203-E205 VanDerWaalsContact O-N 3.17Å; E205-S207 VanDerWaalsContact C-N 3.32Å; E205-S207 PolarHBondContact O-N 3.46Å; E205-L208 PolarHBondContact O-N 3.35Å; E205-A209 VanDerWaalsContact O-CB 3.29Å; E205-A209 WeakPolarHBondContact O-CB 3.49Å; E205-A209 PolarHBondContact O-N 3.02Å
206	L	98	Very high	97.8	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-61.1	-45	176.2	179.9	150.9	0	0	0	110.7	L182 D200 F203 P204 A209 L210 Y220	L182-L206 HydrophobicContact CD1-CG 4.42Å; L182-L206 HydrophobicContact CD2-CD1 3.67Å; L182-L206 HydrophobicContact CD2-CG 3.79Å; D200-L206 HydrophobicContact CB-CD1 3.73Å; D200-L206 HydrophobicContact CB-CD2 4.48Å; F203-L206 PolarHBondContact O-N 3.12Å; P204-L206 VanDerWaalsContact C-N 3.28Å; P204-L206 PolarHBondContact O-N 2.77Å; L206-A209 PolarHBondContact O-N 3.19Å; L206-L210 HydrophobicContact CD2-CD1 3.64Å; L206-L210 HydrophobicContact CD2-CG 4.46Å; L206-L210 WeakPolarHBondContact O-CG 3.4Å; L206-L210 PolarHBondContact O-N 3.07Å; L206-Y220 HydrophobicContact CD2-CE1 4.49Å
207	S	98.4	Very high	97.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-68.3	-41.4	-177.6	-45.1	0	0	0	0	111	P204 E205 L210 L211 Y220 R240	P204-S207 WeakPolarHBondContact O-CB 3.19Å; P204-S207 PolarHBondContact O-N 3.1Å; E205-S207 VanDerWaalsContact C-N 3.32Å; E205-S207 PolarHBondContact O-N 3.46Å; S207-L210 PolarHBondContact O-N 2.98Å; S207-L211 WeakPolarHBondContact O-CB 3.47Å; S207-L211 PolarHBondContact O-N 2.99Å; S207-Y220 WeakPolarHBondContact CB-OH 3.19Å; S207-Y220 PolarHBondContact OG-OH 2.9Å; S207-R240 WeakPolarHBondContact OG-CD 3.35Å
208	L	96.9	Very high	97.8	Very high	30 Å²	30	37.5 Å²	37.5	16%	0.157	18%	0.182	C	C	.	.	H	α-helix	trans	-66.8	-35.8	174.1	-65	176.1	0	0	0	112.2	P204 E205 L211 R212 T244 R310	P204-L208 WeakPolarHBondContact O-CG 3.29Å; P204-L208 PolarHBondContact O-N 2.83Å; E205-L208 PolarHBondContact O-N 3.35Å; L208-L211 HydrophobicContact CD2-CD2 4.47Å; L208-R212 WeakPolarHBondContact O-CG 3.3Å; L208-R212 PolarHBondContact O-N 3.16Å; L208-T244 HydrophobicContact CD2-CG2 4.3Å; L208-R310 VanDerWaalsContact CD2-CZ 3.47Å
209	A	97.3	Very high	97.9	Very high	25 Å²	25	37 Å²	37	21%	0.207	18%	0.179	C	C	.	.	H	α-helix	trans	-65.5	-45	175	0	0	0	0	0	111.4	L182 E205 L206 R212 Q213	L182-A209 HydrophobicContact CD1-CB 3.73Å; E205-A209 VanDerWaalsContact O-CB 3.29Å; E205-A209 WeakPolarHBondContact O-CB 3.49Å; E205-A209 PolarHBondContact O-N 3.02Å; L206-A209 PolarHBondContact O-N 3.19Å; A209-R212 PolarHBondContact O-N 2.91Å; A209-Q213 WeakPolarHBondContact O-CG 3.46Å; A209-Q213 PolarHBondContact O-N 2.93Å
210	L	98.4	Very high	98	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-62.9	-42.9	175.1	-69.9	171.9	0	0	0	111.9	I183 P185 L206 S207 R212 Q213 G214 A215 L218	I183-L210 WeakPolarHBondContact O-CD2 3.31Å; P185-L210 HydrophobicContact CG-CD2 4.39Å; L206-L210 HydrophobicContact CD2-CD1 3.64Å; L206-L210 HydrophobicContact CD2-CG 4.46Å; L206-L210 WeakPolarHBondContact O-CG 3.4Å; L206-L210 PolarHBondContact O-N 3.07Å; S207-L210 PolarHBondContact O-N 2.98Å; L210-R212 PolarHBondContact O-N 3.31Å; L210-Q213 CarbonylContact O-C 3.56Å; L210-Q213 WeakPolarHBondContact O-CA 3.02Å; L210-Q213 PolarHBondContact O-N 3.05Å; L210-G214 PolarHBondContact O-N 3.42Å; L210-A215 HydrophobicContact CB-CB 4.12Å; L210-A215 VanDerWaalsContact O-CB 3.3Å; L210-A215 WeakPolarHBondContact O-CB 3.4Å; L210-A215 PolarHBondContact O-N 2.71Å; L210-A215 VanDerWaalsContact O-N 3.1Å; L210-L218 HydrophobicContact CB-CD2 3.72Å; L210-L218 HydrophobicContact CD1-CD2 3.82Å; L210-L218 HydrophobicContact CG-CD2 4.44Å
211	L	97.5	Very high	98	Very high	20 Å²	20	35 Å²	35	11%	0.105	17%	0.172	C	C	.	.	H	α-helix	trans	-58	-45.3	174.1	173.6	65.9	0	0	0	112.2	S207 L208 Q213 G214 T244 Q307	S207-L211 WeakPolarHBondContact O-CB 3.47Å; S207-L211 PolarHBondContact O-N 2.99Å; L208-L211 HydrophobicContact CD2-CD2 4.47Å; L211-Q213 PolarHBondContact O-N 2.91Å; L211-G214 WeakPolarHBondContact O-CA 3.36Å; L211-G214 PolarHBondContact O-N 2.83Å; L211-T244 VanDerWaalsContact CD1-O 3.28Å; L211-T244 WeakPolarHBondContact CD1-O 3.35Å; L211-T244 HydrophobicContact CD2-CG2 4.32Å; L211-Q307 VanDerWaalsContact CD2-CD 3.48Å; L211-Q307 HydrophobicContact CD2-CG 4.45Å; L211-Q307 VanDerWaalsContact CD2-OE1 3.26Å
212	R	96.3	Very high	98	Very high	162 Å²	162	35 Å²	35	61%	0.611	17%	0.172	S	C	*	.	H	α-helix	trans	-61.3	-24	176.7	-77.2	-174.3	-66.5	-101	1.6	112.9	L208 A209 L210 G214	L208-R212 WeakPolarHBondContact O-CG 3.3Å; L208-R212 PolarHBondContact O-N 3.16Å; A209-R212 PolarHBondContact O-N 2.91Å; L210-R212 PolarHBondContact O-N 3.31Å; R212-G214 VanDerWaalsContact C-N 3.27Å
213	Q	97.9	Very high	98	Very high	128 Å²	128	32.1 Å²	32.1	60%	0.598	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	9.4	172.6	-63	-61.1	-33.8	0	0	113.1	P185 A209 L210 L211	P185-Q213 VanDerWaalsContact CD-CB 3.45Å; P185-Q213 HydrophobicContact CG-CB 3.99Å; A209-Q213 WeakPolarHBondContact O-CG 3.46Å; A209-Q213 PolarHBondContact O-N 2.93Å; L210-Q213 CarbonylContact O-C 3.56Å; L210-Q213 WeakPolarHBondContact O-CA 3.02Å; L210-Q213 PolarHBondContact O-N 3.05Å; L211-Q213 PolarHBondContact O-N 2.91Å
214	G	97.8	Very high	97.8	Very high	32 Å²	32	29.9 Å²	29.9	33%	0.33	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	27.4	174.7	0	0	0	0	0	114.4	K192 L210 L211 R212 E216	K192-G214 WeakPolarHBondContact CB-O 3.05Å; K192-G214 WeakPolarHBondContact CD-O 3.3Å; L210-G214 PolarHBondContact O-N 3.42Å; L211-G214 WeakPolarHBondContact O-CA 3.36Å; L211-G214 PolarHBondContact O-N 2.83Å; R212-G214 VanDerWaalsContact C-N 3.27Å; G214-E216 PolarHBondContact O-N 2.85Å
215	A	98.6	Very high	97.5	Very high	3 Å²	3	29.6 Å²	29.6	3%	0.025	15%	0.15	C	C	.	.			trans	-61.2	132.4	171.4	0	0	0	0	0	111.1	P185 L210 L218 C246	P185-A215 HydrophobicContact CB-CB 4.18Å; P185-A215 HydrophobicContact CG-CB 3.75Å; L210-A215 HydrophobicContact CB-CB 4.12Å; L210-A215 VanDerWaalsContact O-CB 3.3Å; L210-A215 WeakPolarHBondContact O-CB 3.4Å; L210-A215 PolarHBondContact O-N 2.71Å; L210-A215 VanDerWaalsContact O-N 3.1Å; A215-L218 HydrophobicContact CB-CD2 3.81Å; A215-C246 PolarHBondContact O-SG 3.24Å
216	E	98.8	Very high	97.3	Very high	38 Å²	38	27.5 Å²	27.5	18%	0.178	15%	0.145	C	C	.	.	S	Bend	trans	-102.5	-26.2	172	-67.5	169.9	133	0	0	110.6	G191 K192 G214 C246 F247 L294 L297	G191-E216 WeakPolarHBondContact CA-OE2 3.16Å; K192-E216 HydrophobicContact CB-CG 4.35Å; K192-E216 PolarHBondContact N-OE2 2.66Å; K192-E216 PolarHBondContact O-N 2.84Å; G214-E216 PolarHBondContact O-N 2.85Å; E216-C246 WeakPolarHBondContact O-CA 3.4Å; E216-C246 WeakPolarHBondContact O-CB 3.32Å; E216-F247 PolarHBondContact O-N 2.98Å; E216-L294 HydrophobicContact CB-CD2 4.06Å; E216-L297 HydrophobicContact CB-CD1 3.92Å; E216-L297 HydrophobicContact CG-CD1 4.38Å; E216-L297 VanDerWaalsContact O-CD1 3.23Å; E216-L297 WeakPolarHBondContact O-CD1 3.42Å
217	I	98.9	Very high	96.9	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	131.4	-178.6	-53.3	171.8	0	0	0	107.8	I190 K192 V193 G194 F247 L249 I292	I190-I217 HydrophobicContact CB-CD1 4.19Å; I190-I217 HydrophobicContact CD1-CD1 3.47Å; I190-I217 VanDerWaalsContact CD1-CD1 3.47Å; I190-I217 HydrophobicContact CG1-CD1 3.56Å; I190-I217 WeakPolarHBondContact O-CD1 3.34Å; K192-I217 PolarHBondContact O-N 3.47Å; V193-I217 CarbonylContact C-O 3.48Å; V193-I217 WeakPolarHBondContact CA-O 3.47Å; V193-I217 HydrophobicContact CG2-CB 4.27Å; V193-I217 HydrophobicContact CG2-CD1 4.16Å; G194-I217 PolarHBondContact N-O 2.74Å; I217-F247 CarbonylContact C-O 3.57Å; I217-F247 WeakPolarHBondContact CA-O 3.44Å; I217-F247 HydrophobicContact CG1-CB 4.16Å; I217-F247 HydrophobicContact CG2-CB 4.33Å; I217-L249 HydrophobicContact CG2-CB 4.48Å; I217-L249 HydrophobicContact CG2-CD1 3.84Å; I217-L249 HydrophobicContact CG2-CG 3.83Å; I217-I292 HydrophobicContact CD1-CG2 4.06Å
218	L	98.9	Very high	96.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	148	172.4	-61.6	175.3	0	0	0	109.8	L210 A215 Y220 T244 C246 F247 V248 L249	L210-L218 HydrophobicContact CB-CD2 3.72Å; L210-L218 HydrophobicContact CD1-CD2 3.82Å; L210-L218 HydrophobicContact CG-CD2 4.44Å; A215-L218 HydrophobicContact CB-CD2 3.81Å; L218-Y220 HydrophobicContact CB-CE2 3.96Å; L218-T244 HydrophobicContact CD1-CG2 3.85Å; L218-T244 WeakPolarHBondContact CD1-OG1 3.29Å; L218-C246 HydrophobicContact CD1-CB 4.17Å; L218-C246 HydrophobicContact CG-CB 3.99Å; L218-F247 PolarHBondContact N-O 2.79Å; L218-V248 HydrophobicContact CB-CG2 4.32Å; L218-V248 WeakPolarHBondContact O-CA 3.13Å; L218-L249 PolarHBondContact O-N 2.85Å
219	T	98.8	Very high	96.3	Very high	1 Å²	1	30 Å²	30	1%	0.006	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	139.9	-176.6	57.2	0	0	0	0	111.6	F77 H140 V193 G194 L195 G196 L249	F77-T219 HydrophobicContact CD1-CG2 3.97Å; F77-T219 HydrophobicContact CE1-CG2 3.59Å; H140-T219 PolarHBondContact CE1-OG1 2.94Å; H140-T219 VanDerWaalsContact CE1-OG1 3.22Å; V193-T219 HydrophobicContact CG1-CG2 3.64Å; G194-T219 PolarHBondContact O-N 2.75Å; G194-T219 VanDerWaalsContact O-N 3.12Å; G194-T219 PolarHBondContact O-OG1 3.24Å; L195-T219 WeakPolarHBondContact CA-OG1 3.27Å; G196-T219 CarbonylContact C-O 3.56Å; G196-T219 WeakPolarHBondContact CA-O 3.28Å; G196-T219 PolarHBondContact N-O 2.83Å; G196-T219 VanDerWaalsContact N-O 3.1Å; T219-L249 VanDerWaalsContact CA-O 3.32Å; T219-L249 WeakPolarHBondContact CA-O 3.47Å
220	Y	98.8	Very high	96.1	Very high	1 Å²	1	32 Å²	32	0%	0.004	18%	0.184	C	C	.	.			trans	-139.4	61.3	174.2	-53.2	-83.8	0	0	0	110.4	L201 L206 S207 L218 S222 W233 L237 R240 V248 L249	L201-Y220 HydrophobicContact CB-CD1 3.72Å; L201-Y220 HydrophobicContact CB-CE1 4.21Å; L201-Y220 HydrophobicContact CB-CG 4.07Å; L201-Y220 HydrophobicContact CD1-CD1 4.08Å; L201-Y220 HydrophobicContact CD1-CD2 3.87Å; L201-Y220 HydrophobicContact CD1-CE1 4.15Å; L201-Y220 HydrophobicContact CD1-CE2 3.95Å; L201-Y220 HydrophobicContact CD1-CG 3.94Å; L201-Y220 HydrophobicContact CG-CD1 4.48Å; L201-Y220 HydrophobicContact CG-CG 4.46Å; L206-Y220 HydrophobicContact CD2-CE1 4.49Å; S207-Y220 WeakPolarHBondContact CB-OH 3.19Å; S207-Y220 PolarHBondContact OG-OH 2.9Å; L218-Y220 HydrophobicContact CB-CE2 3.96Å; Y220-S222 PolarHBondContact O-N 2.92Å; Y220-S222 PolarHBondContact O-OG 2.71Å; Y220-W233 WeakPolarHBondContact O-CH2 3.25Å; Y220-L237 HydrophobicContact CD2-CD2 3.76Å; Y220-L237 HydrophobicContact CG-CD2 4.27Å; Y220-R240 HydrophobicContact CE2-CB 4.28Å; Y220-R240 HydrophobicContact CE2-CG 4.21Å; Y220-V248 HydrophobicContact CD2-CG1 3.8Å; Y220-V248 HydrophobicContact CE2-CG1 3.97Å; Y220-L249 PolarHBondContact N-O 3.27Å
221	P	98.9	Very high	95.9	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.019	21%	0.205	C	C	.	.			trans	-50.3	135.6	168.5	24.4	-37.1	0	0	0	111.1	G121 G196 I197 C198 A251	G121-P221 VanDerWaalsContact O-CB 3.31Å; G121-P221 WeakPolarHBondContact O-CB 3.32Å; G121-P221 WeakPolarHBondContact O-CG 3.23Å; G196-P221 VanDerWaalsContact O-CD 3.3Å; G196-P221 WeakPolarHBondContact O-CD 3.5Å; I197-P221 HydrophobicContact CG1-CG 4.47Å; C198-P221 PolarHBondContact N-O 2.9Å; P221-A251 CarbonylContact C-O 3.37Å; P221-A251 VanDerWaalsContact CA-O 3.24Å; P221-A251 WeakPolarHBondContact CA-O 3.49Å
222	S	98.4	Very high	96	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-152.8	149.2	-160.7	-70.4	0	0	0	0	115.9	C198 Y220 W233 A251 A252 Q253	C198-S222 WeakPolarHBondContact CA-OG 3.46Å; Y220-S222 PolarHBondContact O-N 2.92Å; Y220-S222 PolarHBondContact O-OG 2.71Å; S222-W233 WeakPolarHBondContact OG-CH2 3.22Å; S222-W233 VanDerWaalsContact OG-CZ3 3.23Å; S222-W233 WeakPolarHBondContact OG-CZ3 3.29Å; S222-A251 PolarHBondContact N-O 2.72Å; S222-A252 CarbonylContact O-C 3.59Å; S222-A252 WeakPolarHBondContact O-CA 3.47Å; S222-Q253 PolarHBondContact O-N 2.53Å
223	A	96.6	Very high	96.1	Very high	7 Å²	7	29.8 Å²	29.8	6%	0.058	19%	0.19	C	C	.	.			trans	-118.4	54.4	165.2	0	0	0	0	0	112.3	E80 I85 Q253 R261 S263	E80-A223 PolarHBondContact OE2-N 2.85Å; I85-A223 HydrophobicContact CD1-CB 4.46Å; A223-Q253 HydrophobicContact CB-CB 3.99Å; A223-Q253 HydrophobicContact CB-CG 3.69Å; A223-R261 PolarHBondContact O-NH2 3.19Å; A223-S263 PolarHBondContact O-OG 2.95Å
224	F	94.3	Very high	96.1	Very high	12 Å²	12	27.8 Å²	27.8	5%	0.053	18%	0.18	C	C	.	.			trans	-57.8	137.5	-177.7	-96.6	-128.7	0	0	0	111.9	C198 L201 W233 S263 Y264	C198-F224 HydrophobicContact CB-CE2 4.47Å; C198-F224 VanDerWaalsContact SG-CD2 3.56Å; C198-F224 VanDerWaalsContact SG-CE2 3.59Å; L201-F224 HydrophobicContact CD2-CZ 4Å; F224-W233 HydrophobicContact CD1-CB 4.37Å; F224-W233 HydrophobicContact CD1-CD2 4.41Å; F224-W233 AromaticContact CD1-CE3 3.67Å; F224-W233 HydrophobicContact CD1-CE3 3.67Å; F224-W233 HydrophobicContact CD1-CZ3 4.38Å; F224-W233 AromaticContact CD2-CE3 3.75Å; F224-W233 HydrophobicContact CD2-CE3 3.75Å; F224-W233 AromaticContact CD2-CZ3 3.62Å; F224-W233 HydrophobicContact CD2-CZ3 3.62Å; F224-W233 AromaticContact CE1-CE3 3.64Å; F224-W233 HydrophobicContact CE1-CE3 3.64Å; F224-W233 HydrophobicContact CE1-CZ3 4.28Å; F224-W233 AromaticContact CE2-CE3 3.72Å; F224-W233 HydrophobicContact CE2-CE3 3.72Å; F224-W233 AromaticContact CE2-CZ3 3.49Å; F224-W233 HydrophobicContact CE2-CZ3 3.49Å; F224-W233 VanDerWaalsContact CE2-CZ3 3.49Å; F224-W233 HydrophobicContact CG-CD2 4.49Å; F224-W233 AromaticContact CG-CE3 3.72Å; F224-W233 HydrophobicContact CG-CE3 3.72Å; F224-W233 HydrophobicContact CG-CZ3 4.07Å; F224-W233 AromaticContact CZ-CE3 3.66Å; F224-W233 HydrophobicContact CZ-CE3 3.66Å; F224-W233 AromaticContact CZ-CZ3 3.84Å; F224-W233 HydrophobicContact CZ-CZ3 3.84Å; F224-S263 CarbonylContact O-C 3.58Å; F224-S263 WeakPolarHBondContact O-CA 3.15Å; F224-S263 WeakPolarHBondContact O-CB 3.29Å; F224-S263 PolarHBondContact O-OG 3.07Å; F224-Y264 PolarHBondContact O-N 2.54Å
225	T	91.9	Very high	96.1	Very high	32 Å²	32	30.8 Å²	30.8	20%	0.196	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-68	150.6	172.5	74.3	0	0	0	0	110.5	L170 A227 T228 G229	L170-T225 HydrophobicContact CD1-CG2 4.35Å; T225-A227 VanDerWaalsContact C-N 3.35Å; T225-A227 PolarHBondContact O-N 2.82Å; T225-T228 PolarHBondContact O-N 3.16Å; T225-T228 PolarHBondContact O-OG1 3.06Å; T225-T228 PolarHBondContact OG1-OG1 2.93Å; T225-G229 PolarHBondContact O-N 3.28Å
226	V	91.7	Very high	96.1	Very high	76 Å²	76	32.2 Å²	32.2	46%	0.461	20%	0.199	S	C	.	.	H	α-helix	trans	-54.3	-47.6	-177.2	-179.8	0	0	0	0	112.6	G229 A230 Y264	V226-G229 PolarHBondContact O-N 3.13Å; V226-A230 WeakPolarHBondContact O-CB 3.26Å; V226-A230 PolarHBondContact O-N 2.86Å; V226-Y264 HydrophobicContact CG1-CD2 4.43Å
227	A	89.5	Confident	96.1	Very high	57 Å²	57	30.4 Å²	30.4	47%	0.471	19%	0.19	S	C	.	.	H	α-helix	trans	-67.1	-42.2	-175.9	0	0	0	0	0	113.2	T225	T225-A227 VanDerWaalsContact C-N 3.35Å; T225-A227 PolarHBondContact O-N 2.82Å
228	T	89.4	Confident	96.1	Very high	28 Å²	28	34.9 Å²	34.9	17%	0.172	21%	0.207	C	C	.	.	H	α-helix	trans	-77.1	-30.3	177.7	57.6	0	0	0	0	112	T225 A231 H232	T225-T228 PolarHBondContact O-N 3.16Å; T225-T228 PolarHBondContact O-OG1 3.06Å; T225-T228 PolarHBondContact OG1-OG1 2.93Å; T228-A231 PolarHBondContact O-N 3.08Å; T228-H232 WeakPolarHBondContact O-CB 3.41Å; T228-H232 PolarHBondContact O-N 2.9Å
229	G	92.6	Very high	96.1	Very high	1 Å²	1	36 Å²	36	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-62.2	-52.8	174.5	0	0	0	0	0	111.7	T225 V226 A231 H232 W233 Y264	T225-G229 PolarHBondContact O-N 3.28Å; V226-G229 PolarHBondContact O-N 3.13Å; G229-A231 PolarHBondContact O-N 2.92Å; G229-A231 VanDerWaalsContact O-N 3.13Å; G229-H232 PolarHBondContact O-N 2.94Å; G229-W233 WeakPolarHBondContact O-CB 3.35Å; G229-W233 PolarHBondContact O-N 3.27Å; G229-Y264 VanDerWaalsContact C-CE1 3.5Å
230	A	94.5	Very high	96.1	Very high	66 Å²	66	36.6 Å²	36.6	55%	0.545	22%	0.219	S	C	.	.	H	α-helix	trans	-55.9	-32.6	178.4	0	0	0	0	0	113.7	V226 Y264	V226-A230 WeakPolarHBondContact O-CB 3.26Å; V226-A230 PolarHBondContact O-N 2.86Å; A230-Y264 VanDerWaalsContact CA-CE2 3.43Å; A230-Y264 HydrophobicContact CB-CD2 4.35Å; A230-Y264 HydrophobicContact CB-CE2 3.71Å; A230-Y264 VanDerWaalsContact N-CE2 3.32Å
231	A	94.8	Very high	96.1	Very high	57 Å²	57	36.5 Å²	36.5	47%	0.471	22%	0.219	S	C	.	.	H	α-helix	trans	-89.6	-36.2	-178.5	0	0	0	0	0	113.9	T228 G229	T228-A231 PolarHBondContact O-N 3.08Å; G229-A231 PolarHBondContact O-N 2.92Å; G229-A231 VanDerWaalsContact O-N 3.13Å
232	H	97.7	Very high	96.1	Very high	81 Å²	81	40.3 Å²	40.3	38%	0.375	24%	0.238	S	C	.	.	H	α-helix	trans	-125.2	-21.8	-161.9	-55.5	145.8	0	0	0	114.9	R202 T228 G229 V235 L236	R202-H232 PolarHBondContact NH1-ND1 2.98Å; T228-H232 WeakPolarHBondContact O-CB 3.41Å; T228-H232 PolarHBondContact O-N 2.9Å; G229-H232 PolarHBondContact O-N 2.94Å; H232-V235 PolarHBondContact O-N 3.03Å; H232-L236 HydrophobicContact CB-CD1 3.88Å; H232-L236 HydrophobicContact CB-CG 4.28Å; H232-L236 WeakPolarHBondContact O-CB 3.5Å; H232-L236 VanDerWaalsContact O-CG 3.26Å; H232-L236 WeakPolarHBondContact O-CG 3.45Å; H232-L236 PolarHBondContact O-N 3.23Å
233	W	98.3	Very high	96.1	Very high	3 Å²	3	44.3 Å²	44.3	1%	0.011	26%	0.256	C	S	.	.	H	α-helix	trans	-60	-62.6	-165.6	179.3	-118.3	0	0	0	113	L201 Y220 S222 F224 G229 V235 L236 L237 A250 A252 Y264 H266	L201-W233 HydrophobicContact CD2-CE3 3.93Å; L201-W233 HydrophobicContact CD2-CZ3 3.81Å; Y220-W233 WeakPolarHBondContact O-CH2 3.25Å; S222-W233 WeakPolarHBondContact OG-CH2 3.22Å; S222-W233 VanDerWaalsContact OG-CZ3 3.23Å; S222-W233 WeakPolarHBondContact OG-CZ3 3.29Å; F224-W233 HydrophobicContact CD1-CB 4.37Å; F224-W233 HydrophobicContact CD1-CD2 4.41Å; F224-W233 AromaticContact CD1-CE3 3.67Å; F224-W233 HydrophobicContact CD1-CE3 3.67Å; F224-W233 HydrophobicContact CD1-CZ3 4.38Å; F224-W233 AromaticContact CD2-CE3 3.75Å; F224-W233 HydrophobicContact CD2-CE3 3.75Å; F224-W233 AromaticContact CD2-CZ3 3.62Å; F224-W233 HydrophobicContact CD2-CZ3 3.62Å; F224-W233 AromaticContact CE1-CE3 3.64Å; F224-W233 HydrophobicContact CE1-CE3 3.64Å; F224-W233 HydrophobicContact CE1-CZ3 4.28Å; F224-W233 AromaticContact CE2-CE3 3.72Å; F224-W233 HydrophobicContact CE2-CE3 3.72Å; F224-W233 AromaticContact CE2-CZ3 3.49Å; F224-W233 HydrophobicContact CE2-CZ3 3.49Å; F224-W233 VanDerWaalsContact CE2-CZ3 3.49Å; F224-W233 HydrophobicContact CG-CD2 4.49Å; F224-W233 AromaticContact CG-CE3 3.72Å; F224-W233 HydrophobicContact CG-CE3 3.72Å; F224-W233 HydrophobicContact CG-CZ3 4.07Å; F224-W233 AromaticContact CZ-CE3 3.66Å; F224-W233 HydrophobicContact CZ-CE3 3.66Å; F224-W233 AromaticContact CZ-CZ3 3.84Å; F224-W233 HydrophobicContact CZ-CZ3 3.84Å; G229-W233 WeakPolarHBondContact O-CB 3.35Å; G229-W233 PolarHBondContact O-N 3.27Å; W233-V235 VanDerWaalsContact C-N 3.34Å; W233-V235 PolarHBondContact O-N 2.98Å; W233-L236 PolarHBondContact O-N 3Å; W233-L237 HydrophobicContact CD2-CD1 3.78Å; W233-L237 HydrophobicContact CD2-CG 4.39Å; W233-L237 VanDerWaalsContact CE2-CD1 3.42Å; W233-L237 HydrophobicContact CE3-CD1 4.2Å; W233-L237 HydrophobicContact CE3-CG 4.41Å; W233-L237 HydrophobicContact CG-CD1 4.32Å; W233-L237 HydrophobicContact CH2-CD1 4.01Å; W233-L237 HydrophobicContact CH2-CD2 4.34Å; W233-L237 HydrophobicContact CZ2-CD1 3.59Å; W233-L237 HydrophobicContact CZ3-CD1 4.3Å; W233-L237 HydrophobicContact CZ3-CD2 4.4Å; W233-L237 HydrophobicContact CZ3-CG 4.47Å; W233-L237 WeakPolarHBondContact O-CG 3.27Å; W233-L237 PolarHBondContact O-N 2.75Å; W233-L237 VanDerWaalsContact O-N 3.12Å; W233-A250 HydrophobicContact CH2-CB 3.74Å; W233-A250 HydrophobicContact CZ2-CB 3.64Å; W233-A252 HydrophobicContact CZ2-CB 4.28Å; W233-Y264 HydrophobicContact CB-CD1 4.09Å; W233-Y264 HydrophobicContact CB-CE1 4.1Å; W233-Y264 HydrophobicContact CG-CD1 4.21Å; W233-Y264 HydrophobicContact CG-CE1 4.39Å; W233-H266 PolarHBondContact NE1-O 3.36Å
234	E	98.6	Very high	96.2	Very high	85 Å²	85	44 Å²	44	40%	0.397	25%	0.254	S	S	.	.	H	α-helix	trans	-60.5	-44.9	180	-170.3	-158.2	132.1	0	0	111.3	L236 L237 R238 L268 V276	E234-L236 PolarHBondContact O-N 2.77Å; E234-L237 PolarHBondContact O-N 3.45Å; E234-R238 HydrophobicContact CG-CG 4.23Å; E234-R238 WeakPolarHBondContact O-CB 3.28Å; E234-R238 VanDerWaalsContact O-CG 3.28Å; E234-R238 WeakPolarHBondContact O-CG 3.37Å; E234-R238 PolarHBondContact O-N 3.47Å; E234-R238 WeakPolarHBondContact OE1-CD 3.34Å; E234-R238 IonicContact OE1-CZ 3.7Å; E234-R238 IonicContact OE1-NE 2.82Å; E234-R238 IonicContact OE1-NH1 3.52Å; E234-R238 PolarHBondContact OE1-NH1 2.92Å; E234-L268 HydrophobicContact CB-CD2 4.42Å; E234-L268 HydrophobicContact CG-CD2 4.03Å; E234-V276 HydrophobicContact CG-CG2 4.35Å
235	V	98.6	Very high	96.4	Very high	96 Å²	96	43.6 Å²	43.6	58%	0.582	25%	0.252	S	S	*	.	H	α-helix	trans	-58.4	-48	-176.8	177.5	0	0	0	0	111.1	H232 W233 A239	H232-V235 PolarHBondContact O-N 3.03Å; W233-V235 VanDerWaalsContact C-N 3.34Å; W233-V235 PolarHBondContact O-N 2.98Å; V235-A239 VanDerWaalsContact O-CB 3.3Å; V235-A239 WeakPolarHBondContact O-CB 3.39Å; V235-A239 PolarHBondContact O-N 3.09Å
236	L	98.8	Very high	96.7	Very high	32 Å²	32	42.1 Å²	42.1	17%	0.168	24%	0.243	C	C	.	.	H	α-helix	trans	-69.1	-43.1	-179.1	-69.6	175.8	0	0	0	111.8	L201 R202 H232 W233 E234 R238 A239 R240	L201-L236 HydrophobicContact CD1-CB 4.07Å; L201-L236 HydrophobicContact CD2-CB 3.77Å; L201-L236 HydrophobicContact CD2-CD1 4.37Å; L201-L236 HydrophobicContact CG-CB 3.74Å; L201-L236 HydrophobicContact CG-CD1 4.28Å; R202-L236 HydrophobicContact CG-CD1 4.2Å; H232-L236 HydrophobicContact CB-CD1 3.88Å; H232-L236 HydrophobicContact CB-CG 4.28Å; H232-L236 WeakPolarHBondContact O-CB 3.5Å; H232-L236 VanDerWaalsContact O-CG 3.26Å; H232-L236 WeakPolarHBondContact O-CG 3.45Å; H232-L236 PolarHBondContact O-N 3.23Å; W233-L236 PolarHBondContact O-N 3Å; E234-L236 PolarHBondContact O-N 2.77Å; L236-R238 VanDerWaalsContact C-N 3.33Å; L236-R238 PolarHBondContact O-N 3.17Å; L236-A239 WeakPolarHBondContact O-CB 3.36Å; L236-A239 PolarHBondContact O-N 3.32Å; L236-R240 WeakPolarHBondContact O-CG 3.49Å; L236-R240 PolarHBondContact O-N 3.37Å
237	L	98.9	Very high	97	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.1	-43.7	178.4	-69.8	175.9	0	0	0	111.6	L201 Y220 W233 E234 R240 A241 V248 A250 L268 V270	L201-L237 HydrophobicContact CD1-CD2 3.84Å; L201-L237 HydrophobicContact CD2-CD2 3.66Å; L201-L237 HydrophobicContact CD2-CG 3.91Å; L201-L237 HydrophobicContact CG-CD2 4.4Å; Y220-L237 HydrophobicContact CD2-CD2 3.76Å; Y220-L237 HydrophobicContact CG-CD2 4.27Å; W233-L237 HydrophobicContact CD2-CD1 3.78Å; W233-L237 HydrophobicContact CD2-CG 4.39Å; W233-L237 VanDerWaalsContact CE2-CD1 3.42Å; W233-L237 HydrophobicContact CE3-CD1 4.2Å; W233-L237 HydrophobicContact CE3-CG 4.41Å; W233-L237 HydrophobicContact CG-CD1 4.32Å; W233-L237 HydrophobicContact CH2-CD1 4.01Å; W233-L237 HydrophobicContact CH2-CD2 4.34Å; W233-L237 HydrophobicContact CZ2-CD1 3.59Å; W233-L237 HydrophobicContact CZ3-CD1 4.3Å; W233-L237 HydrophobicContact CZ3-CD2 4.4Å; W233-L237 HydrophobicContact CZ3-CG 4.47Å; W233-L237 WeakPolarHBondContact O-CG 3.27Å; W233-L237 PolarHBondContact O-N 2.75Å; W233-L237 VanDerWaalsContact O-N 3.12Å; E234-L237 PolarHBondContact O-N 3.45Å; L237-R240 PolarHBondContact O-N 3.04Å; L237-A241 PolarHBondContact O-N 3.11Å; L237-V248 HydrophobicContact CB-CG1 4.25Å; L237-V248 HydrophobicContact CD2-CG1 3.62Å; L237-V248 HydrophobicContact CG-CG1 4.49Å; L237-A250 HydrophobicContact CD1-CB 3.67Å; L237-A250 HydrophobicContact CD2-CB 3.65Å; L237-A250 HydrophobicContact CG-CB 4.35Å; L237-L268 HydrophobicContact CB-CD2 4.16Å; L237-L268 HydrophobicContact CD1-CB 3.82Å; L237-L268 HydrophobicContact CD1-CD2 3.63Å; L237-L268 HydrophobicContact CD1-CG 4.35Å; L237-V270 HydrophobicContact CB-CG2 4.35Å
238	R	98.9	Very high	97.5	Very high	94 Å²	94	35.9 Å²	35.9	36%	0.355	20%	0.199	S	C	.	.	H	α-helix	trans	-66.2	-40.4	175.7	-67.9	178.9	66.8	-157.7	-7.2	112	E234 L236 R240 A241 I242 V270 G274 V276	E234-R238 HydrophobicContact CG-CG 4.23Å; E234-R238 WeakPolarHBondContact O-CB 3.28Å; E234-R238 VanDerWaalsContact O-CG 3.28Å; E234-R238 WeakPolarHBondContact O-CG 3.37Å; E234-R238 PolarHBondContact O-N 3.47Å; E234-R238 WeakPolarHBondContact OE1-CD 3.34Å; E234-R238 IonicContact OE1-CZ 3.7Å; E234-R238 IonicContact OE1-NE 2.82Å; E234-R238 IonicContact OE1-NH1 3.52Å; E234-R238 PolarHBondContact OE1-NH1 2.92Å; L236-R238 VanDerWaalsContact C-N 3.33Å; L236-R238 PolarHBondContact O-N 3.17Å; R238-R240 VanDerWaalsContact C-N 3.33Å; R238-R240 PolarHBondContact O-N 3.05Å; R238-A241 PolarHBondContact O-N 3Å; R238-I242 WeakPolarHBondContact O-CB 3.47Å; R238-I242 WeakPolarHBondContact O-CD1 3.36Å; R238-I242 WeakPolarHBondContact O-CG1 3.33Å; R238-I242 PolarHBondContact O-N 3.26Å; R238-V270 HydrophobicContact CB-CG1 4.46Å; R238-V270 HydrophobicContact CG-CG1 3.88Å; R238-V270 HydrophobicContact CG-CG2 3.98Å; R238-G274 PolarHBondContact NE-O 3.3Å; R238-G274 PolarHBondContact NH2-O 3.29Å; R238-V276 HydrophobicContact CG-CG2 4.33Å
239	A	98.8	Very high	97.9	Very high	24 Å²	24	34.6 Å²	34.6	20%	0.198	19%	0.191	C	C	.	.	H	α-helix	trans	-57.8	-46.1	174.5	0	0	0	0	0	111.3	V235 L236 A241 I242 E243	V235-A239 VanDerWaalsContact O-CB 3.3Å; V235-A239 WeakPolarHBondContact O-CB 3.39Å; V235-A239 PolarHBondContact O-N 3.09Å; L236-A239 WeakPolarHBondContact O-CB 3.36Å; L236-A239 PolarHBondContact O-N 3.32Å; A239-A241 PolarHBondContact O-N 2.84Å; A239-I242 PolarHBondContact O-N 2.84Å; A239-E243 VanDerWaalsContact O-CB 3.3Å; A239-E243 WeakPolarHBondContact O-CB 3.29Å; A239-E243 WeakPolarHBondContact O-CG 3.39Å; A239-E243 PolarHBondContact O-N 3.02Å
240	R	98.8	Very high	98.2	Very high	13 Å²	13	34.5 Å²	34.5	5%	0.049	19%	0.191	C	C	.	.	H	α-helix	trans	-59.8	-46.8	175.5	-62	-50.5	166.6	-114.1	-4.9	112.2	L201 R202 S207 Y220 L236 L237 R238 I242 E243 T244 V248	L201-R240 HydrophobicContact CD1-CG 3.5Å; L201-R240 VanDerWaalsContact O-CZ 3.28Å; L201-R240 PolarHBondContact O-NE 2.81Å; L201-R240 PolarHBondContact O-NH2 3Å; R202-R240 PolarHBondContact O-NH2 3.14Å; S207-R240 WeakPolarHBondContact OG-CD 3.35Å; Y220-R240 HydrophobicContact CE2-CB 4.28Å; Y220-R240 HydrophobicContact CE2-CG 4.21Å; L236-R240 WeakPolarHBondContact O-CG 3.49Å; L236-R240 PolarHBondContact O-N 3.37Å; L237-R240 PolarHBondContact O-N 3.04Å; R238-R240 VanDerWaalsContact C-N 3.33Å; R238-R240 PolarHBondContact O-N 3.05Å; R240-I242 VanDerWaalsContact C-N 3.33Å; R240-I242 PolarHBondContact O-N 2.99Å; R240-E243 IonicContact NH1-OE2 3.16Å; R240-E243 PolarHBondContact NH1-OE2 3.11Å; R240-E243 PolarHBondContact O-N 3.18Å; R240-T244 WeakPolarHBondContact O-CB 3.44Å; R240-T244 WeakPolarHBondContact O-CG2 3.38Å; R240-T244 PolarHBondContact O-N 2.82Å; R240-T244 PolarHBondContact O-OG1 2.75Å; R240-V248 HydrophobicContact CB-CG2 4.13Å
241	A	98.8	Very high	98.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-58.2	-45.9	179.1	0	0	0	0	0	112.1	L237 R238 A239 Q245 C246 V248 V270 D271	L237-A241 PolarHBondContact O-N 3.11Å; R238-A241 PolarHBondContact O-N 3Å; A239-A241 PolarHBondContact O-N 2.84Å; A241-Q245 WeakPolarHBondContact O-CA 3.1Å; A241-Q245 PolarHBondContact O-N 3.49Å; A241-C246 WeakPolarHBondContact CA-O 3.27Å; A241-C246 PolarHBondContact O-N 2.98Å; A241-V248 HydrophobicContact CB-CB 4.26Å; A241-V248 HydrophobicContact CB-CG2 3.62Å; A241-V270 HydrophobicContact CB-CB 4.02Å; A241-V270 HydrophobicContact CB-CG1 3.67Å; A241-D271 WeakPolarHBondContact CB-O 3.19Å
242	I	98.6	Very high	98.6	Very high	83 Å²	83	28.9 Å²	28.9	43%	0.426	14%	0.144	S	C	.	.	H	α-helix	trans	-68.6	-48.2	-178.4	-64.9	162.3	0	0	0	111.6	R238 A239 R240 T244	R238-I242 WeakPolarHBondContact O-CB 3.47Å; R238-I242 WeakPolarHBondContact O-CD1 3.36Å; R238-I242 WeakPolarHBondContact O-CG1 3.33Å; R238-I242 PolarHBondContact O-N 3.26Å; A239-I242 PolarHBondContact O-N 2.84Å; R240-I242 VanDerWaalsContact C-N 3.33Å; R240-I242 PolarHBondContact O-N 2.99Å; I242-T244 PolarHBondContact O-N 3.44Å
243	E	98	Very high	98.7	Very high	83 Å²	83	25 Å²	25	39%	0.388	13%	0.126	S	C	.	.	H	α-helix	trans	-70.1	-32.8	-174.3	-69.8	166.2	175.8	0	0	112.5	A239 R240 Q307 R310	A239-E243 VanDerWaalsContact O-CB 3.3Å; A239-E243 WeakPolarHBondContact O-CB 3.29Å; A239-E243 WeakPolarHBondContact O-CG 3.39Å; A239-E243 PolarHBondContact O-N 3.02Å; R240-E243 IonicContact NH1-OE2 3.16Å; R240-E243 PolarHBondContact NH1-OE2 3.11Å; R240-E243 PolarHBondContact O-N 3.18Å; E243-Q307 PolarHBondContact O-NE2 3.43Å; E243-R310 PolarHBondContact O-NH2 2.93Å
244	T	98.4	Very high	98.7	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.006	13%	0.126	C	C	.	.	H	α-helix	trans	-95.7	-16.2	178.4	72.2	0	0	0	0	113.3	L208 L211 L218 R240 I242 C246	L208-T244 HydrophobicContact CD2-CG2 4.3Å; L211-T244 VanDerWaalsContact CD1-O 3.28Å; L211-T244 WeakPolarHBondContact CD1-O 3.35Å; L211-T244 HydrophobicContact CD2-CG2 4.32Å; L218-T244 HydrophobicContact CD1-CG2 3.85Å; L218-T244 WeakPolarHBondContact CD1-OG1 3.29Å; R240-T244 WeakPolarHBondContact O-CB 3.44Å; R240-T244 WeakPolarHBondContact O-CG2 3.38Å; R240-T244 PolarHBondContact O-N 2.82Å; R240-T244 PolarHBondContact O-OG1 2.75Å; I242-T244 PolarHBondContact O-N 3.44Å; T244-C246 PolarHBondContact O-N 2.83Å; T244-C246 VanDerWaalsContact OG1-CB 3.29Å; T244-C246 WeakPolarHBondContact OG1-CB 3.5Å; T244-C246 PolarHBondContact OG1-N 3.06Å; T244-C246 PolarHBondContact OG1-SG 3.31Å
245	Q	98.4	Very high	98.6	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.019	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	41.8	-170.5	-54	179.3	-71.9	0	0	111.6	A241 L297 T300 Q301 M304 V306	A241-Q245 WeakPolarHBondContact O-CA 3.1Å; A241-Q245 PolarHBondContact O-N 3.49Å; Q245-L297 WeakPolarHBondContact O-CG 3.3Å; Q245-T300 HydrophobicContact CB-CG2 4.33Å; Q245-T300 HydrophobicContact CG-CG2 4.28Å; Q245-T300 PolarHBondContact NE2-O 2.88Å; Q245-T300 VanDerWaalsContact NE2-O 3.16Å; Q245-Q301 HydrophobicContact CB-CG 3.78Å; Q245-Q301 PolarHBondContact O-NE2 3.15Å; Q245-M304 PolarHBondContact NE2-O 2.87Å; Q245-M304 PolarHBondContact OE1-O 2.8Å; Q245-V306 VanDerWaalsContact CD-CG2 3.43Å; Q245-V306 HydrophobicContact CG-CG2 4.01Å
246	C	98.8	Very high	98.5	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.115	C	C	.	.			trans	-112	157.6	173.8	-59.1	0	0	0	0	109.3	A215 E216 L218 A241 T244	A215-C246 PolarHBondContact O-SG 3.24Å; E216-C246 WeakPolarHBondContact O-CA 3.4Å; E216-C246 WeakPolarHBondContact O-CB 3.32Å; L218-C246 HydrophobicContact CD1-CB 4.17Å; L218-C246 HydrophobicContact CG-CB 3.99Å; A241-C246 WeakPolarHBondContact CA-O 3.27Å; A241-C246 PolarHBondContact O-N 2.98Å; T244-C246 PolarHBondContact O-N 2.83Å; T244-C246 VanDerWaalsContact OG1-CB 3.29Å; T244-C246 WeakPolarHBondContact OG1-CB 3.5Å; T244-C246 PolarHBondContact OG1-N 3.06Å; T244-C246 PolarHBondContact OG1-SG 3.31Å
247	F	98.9	Very high	98.4	Very high	1 Å²	1	19.8 Å²	19.8	0%	0.004	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	148.2	159	-69.2	-90.5	0	0	0	109.5	E216 I217 L218 V270 D271 P272 M277 I292 D293 L294 L297	E216-F247 PolarHBondContact O-N 2.98Å; I217-F247 CarbonylContact C-O 3.57Å; I217-F247 WeakPolarHBondContact CA-O 3.44Å; I217-F247 HydrophobicContact CG1-CB 4.16Å; I217-F247 HydrophobicContact CG2-CB 4.33Å; L218-F247 PolarHBondContact N-O 2.79Å; F247-V270 CarbonylContact C-O 3.6Å; F247-V270 WeakPolarHBondContact CA-O 3.43Å; F247-D271 HydrophobicContact CD1-CB 4.28Å; F247-D271 HydrophobicContact CE1-CB 4.01Å; F247-P272 HydrophobicContact CD1-CG 4.46Å; F247-P272 HydrophobicContact CD2-CG 3.84Å; F247-P272 HydrophobicContact CE1-CG 4.4Å; F247-P272 HydrophobicContact CE2-CG 3.77Å; F247-P272 HydrophobicContact CG-CG 4.19Å; F247-P272 HydrophobicContact CZ-CG 4.06Å; F247-M277 HydrophobicContact CD1-SD 3.86Å; F247-M277 HydrophobicContact CE1-CE 4.24Å; F247-M277 HydrophobicContact CE1-SD 3.73Å; F247-I292 HydrophobicContact CD1-CD1 4.41Å; F247-I292 HydrophobicContact CD2-CG2 4.26Å; F247-I292 HydrophobicContact CE2-CG2 4.2Å; F247-D293 WeakPolarHBondContact CE2-O 3.28Å; F247-D293 VanDerWaalsContact CZ-O 3.29Å; F247-D293 WeakPolarHBondContact CZ-O 3.31Å; F247-L294 HydrophobicContact CE2-CD2 4.3Å; F247-L297 HydrophobicContact CD2-CD1 4.11Å; F247-L297 HydrophobicContact CE2-CB 4Å; F247-L297 HydrophobicContact CE2-CD1 4.36Å
248	V	98.9	Very high	98.2	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.006	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	119.6	171.8	176	0	0	0	0	108.8	L218 Y220 L237 R240 A241 A269 V270	L218-V248 HydrophobicContact CB-CG2 4.32Å; L218-V248 WeakPolarHBondContact O-CA 3.13Å; Y220-V248 HydrophobicContact CD2-CG1 3.8Å; Y220-V248 HydrophobicContact CE2-CG1 3.97Å; L237-V248 HydrophobicContact CB-CG1 4.25Å; L237-V248 HydrophobicContact CD2-CG1 3.62Å; L237-V248 HydrophobicContact CG-CG1 4.49Å; R240-V248 HydrophobicContact CB-CG2 4.13Å; A241-V248 HydrophobicContact CB-CB 4.26Å; A241-V248 HydrophobicContact CB-CG2 3.62Å; V248-A269 CarbonylContact O-C 3.58Å; V248-A269 VanDerWaalsContact O-CA 3.32Å; V248-A269 WeakPolarHBondContact O-CA 3.32Å; V248-V270 HydrophobicContact CB-CB 4.34Å; V248-V270 PolarHBondContact N-O 3.3Å; V248-V270 PolarHBondContact O-N 3.14Å
249	L	98.9	Very high	97.8	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	114.4	178.3	-56.1	-175.1	0	0	0	109.6	A43 V45 F77 I190 I217 L218 T219 Y220 A269 L290 I292	A43-L249 HydrophobicContact CB-CD1 4.02Å; V45-L249 HydrophobicContact CG2-CB 3.89Å; V45-L249 HydrophobicContact CG2-CD1 4.47Å; V45-L249 HydrophobicContact CG2-CD2 3.99Å; V45-L249 HydrophobicContact CG2-CG 4.32Å; F77-L249 HydrophobicContact CD2-CD1 4.1Å; F77-L249 HydrophobicContact CE1-CD1 4.34Å; F77-L249 HydrophobicContact CE2-CD1 3.52Å; F77-L249 HydrophobicContact CZ-CD1 3.67Å; I190-L249 HydrophobicContact CD1-CD1 4.17Å; I217-L249 HydrophobicContact CG2-CB 4.48Å; I217-L249 HydrophobicContact CG2-CD1 3.84Å; I217-L249 HydrophobicContact CG2-CG 3.83Å; L218-L249 PolarHBondContact O-N 2.85Å; T219-L249 VanDerWaalsContact CA-O 3.32Å; T219-L249 WeakPolarHBondContact CA-O 3.47Å; Y220-L249 PolarHBondContact N-O 3.27Å; L249-A269 HydrophobicContact CD2-CB 3.64Å; L249-L290 HydrophobicContact CD2-CD1 4.09Å; L249-I292 HydrophobicContact CD1-CD1 4.38Å; L249-I292 HydrophobicContact CD2-CD1 4.39Å
250	A	98.8	Very high	97.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	91.9	-171.6	0	0	0	0	0	111.4	W233 L237 A267 L268	W233-A250 HydrophobicContact CH2-CB 3.74Å; W233-A250 HydrophobicContact CZ2-CB 3.64Å; L237-A250 HydrophobicContact CD1-CB 3.67Å; L237-A250 HydrophobicContact CD2-CB 3.65Å; L237-A250 HydrophobicContact CG-CB 4.35Å; A250-A267 CarbonylContact O-C 3.43Å; A250-A267 VanDerWaalsContact O-CA 3.3Å; A250-A267 WeakPolarHBondContact O-CA 3.33Å; A250-L268 PolarHBondContact N-O 2.91Å; A250-L268 PolarHBondContact O-N 2.71Å
251	A	98.9	Very high	96.9	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.008	18%	0.181	C	C	.	.			trans	-65.5	139.6	171.3	0	0	0	0	0	110.3	V45 C46 F77 L78 P79 P221 S222	V45-A251 HydrophobicContact CG1-CB 4.17Å; C46-A251 VanDerWaalsContact O-CA 3.31Å; C46-A251 WeakPolarHBondContact O-CA 3.43Å; C46-A251 VanDerWaalsContact O-CB 3.32Å; C46-A251 WeakPolarHBondContact O-CB 3.41Å; F77-A251 HydrophobicContact CB-CB 4.1Å; F77-A251 WeakPolarHBondContact O-CB 3.45Å; L78-A251 VanDerWaalsContact C-CB 3.49Å; P79-A251 HydrophobicContact CB-CB 4.26Å; P221-A251 CarbonylContact C-O 3.37Å; P221-A251 VanDerWaalsContact CA-O 3.24Å; P221-A251 WeakPolarHBondContact CA-O 3.49Å; S222-A251 PolarHBondContact N-O 2.72Å
252	A	98.8	Very high	96.8	Very high	3 Å²	3	38.8 Å²	38.8	3%	0.025	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	146.8	-172	0	0	0	0	0	113.4	C46 Q47 V48 P79 S222 W233 G265 A267	C46-A252 PolarHBondContact O-N 3.08Å; Q47-A252 VanDerWaalsContact CA-O 3.24Å; Q47-A252 WeakPolarHBondContact CA-O 3.18Å; V48-A252 PolarHBondContact N-O 2.82Å; V48-A252 VanDerWaalsContact N-O 3.17Å; P79-A252 VanDerWaalsContact CB-C 3.41Å; S222-A252 CarbonylContact O-C 3.59Å; S222-A252 WeakPolarHBondContact O-CA 3.47Å; W233-A252 HydrophobicContact CZ2-CB 4.28Å; A252-G265 WeakPolarHBondContact CB-O 3.46Å; A252-A267 HydrophobicContact CB-CB 3.87Å
253	Q	98.8	Very high	96.7	Very high	1 Å²	1	35 Å²	35	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	148	159.9	-67.3	-70.3	-17.3	0	0	110.2	V48 P79 E80 G81 I85 S222 A223 H257 S263 G265	V48-Q253 CarbonylContact O-C 3.52Å; V48-Q253 WeakPolarHBondContact O-CA 3.47Å; V48-Q253 PolarHBondContact O-OE1 3.28Å; P79-Q253 HydrophobicContact CB-CG 4.17Å; P79-Q253 HydrophobicContact CG-CG 4.37Å; E80-Q253 VanDerWaalsContact O-CG 3.24Å; E80-Q253 WeakPolarHBondContact O-CG 3.49Å; E80-Q253 PolarHBondContact O-NE2 3.16Å; G81-Q253 VanDerWaalsContact C-NE2 3.3Å; G81-Q253 PolarHBondContact O-NE2 3.15Å; I85-Q253 HydrophobicContact CD1-CG 3.89Å; S222-Q253 PolarHBondContact O-N 2.53Å; A223-Q253 HydrophobicContact CB-CB 3.99Å; A223-Q253 HydrophobicContact CB-CG 3.69Å; Q253-H257 PolarHBondContact OE1-CE1 3.21Å; Q253-S263 VanDerWaalsContact O-CB 3.3Å; Q253-S263 WeakPolarHBondContact O-CB 3.3Å; Q253-G265 WeakPolarHBondContact O-CA 3.13Å; Q253-G265 PolarHBondContact O-N 2.84Å
254	V	98.4	Very high	96.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	156.2	178.8	70.8	0	0	0	0	112.2	Q47 V48 T49 G282	Q47-V254 HydrophobicContact CG-CB 3.58Å; Q47-V254 HydrophobicContact CG-CG1 3.46Å; Q47-V254 VanDerWaalsContact CG-CG1 3.46Å; Q47-V254 HydrophobicContact CG-CG2 4.4Å; V48-V254 PolarHBondContact O-N 3.38Å; T49-V254 VanDerWaalsContact CB-O 3.26Å; T49-V254 WeakPolarHBondContact CB-O 3.48Å; T49-V254 WeakPolarHBondContact CG2-O 2.99Å; T49-V254 VanDerWaalsContact OG1-CG1 3.29Å; T49-V254 WeakPolarHBondContact OG1-CG1 3.46Å; T49-V254 PolarHBondContact OG1-O 2.76Å; V254-G282 WeakPolarHBondContact CG2-O 3.38Å
255	G	96.8	Very high	96.7	Very high	22 Å²	22	33.7 Å²	33.7	23%	0.227	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	73.1	-158.8	167.7	0	0	0	0	0	113	S262 S263	G255-S262 CarbonylContact O-C 3.55Å; G255-S262 WeakPolarHBondContact O-CA 3.29Å; G255-S262 VanDerWaalsContact O-CB 3.25Å; G255-S262 WeakPolarHBondContact O-CB 3.45Å; G255-S263 PolarHBondContact N-O 3.26Å; G255-S263 VanDerWaalsContact N-O 3.1Å; G255-S263 PolarHBondContact O-N 3.16Å
256	S	96.8	Very high	96.7	Very high	76 Å²	76	35.4 Å²	35.4	53%	0.531	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	119.4	-176.2	-172.4	0	0	0	0	111.3	T49 H258	T49-S256 WeakPolarHBondContact CG2-O 3.43Å; S256-H258 PolarHBondContact OG-O 3.18Å
257	H	96.8	Very high	96.7	Very high	8 Å²	8	35.4 Å²	35.4	4%	0.037	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	-39.2	177.9	-56.2	-67.8	0	0	0	111.5	A50 I85 Q253 R261 S263	A50-H257 WeakPolarHBondContact O-CB 3.38Å; A50-H257 PolarHBondContact O-ND1 2.95Å; I85-H257 HydrophobicContact CB-CB 4.26Å; I85-H257 WeakPolarHBondContact CD1-ND1 3.43Å; I85-H257 HydrophobicContact CG2-CB 4.07Å; Q253-H257 PolarHBondContact OE1-CE1 3.21Å; H257-R261 HydrophobicContact CB-CB 4.46Å; H257-R261 HydrophobicContact CB-CG 4.48Å; H257-R261 PolarHBondContact N-O 3.08Å; H257-S263 VanDerWaalsContact NE2-CB 3.28Å; H257-S263 WeakPolarHBondContact NE2-CB 3.38Å; H257-S263 PolarHBondContact NE2-OG 2.79Å
258	H	94.1	Very high	96.6	Very high	38 Å²	38	35.4 Å²	35.4	18%	0.176	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	178.6	174.6	55.1	85.1	0	0	0	108.4	G86 S256 K260 R261	G86-H258 PolarHBondContact O-NE2 2.8Å; S256-H258 PolarHBondContact OG-O 3.18Å; H258-K260 PolarHBondContact ND1-N 2.93Å; H258-K260 PolarHBondContact O-N 3.32Å; H258-R261 WeakPolarHBondContact CE1-CB 3.4Å; H258-R261 PolarHBondContact N-O 3.31Å; H258-R261 VanDerWaalsContact NE2-CB 3.28Å; H258-R261 WeakPolarHBondContact NE2-CB 3.3Å; H258-R261 PolarHBondContact O-N 3.08Å; H258-R261 VanDerWaalsContact O-N 3.1Å
259	E	90.7	Very high	96.6	Very high	194 Å²	194	35.4 Å²	35.4	91%	0.907	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-25.3	-171.1	-63.6	-179	171.9	0	0	116.1
260	K	88.3	Confident	96.6	Very high	182 Å²	182	35.3 Å²	35.3	79%	0.791	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.7	-2.3	-172.1	-60.6	179	-176.1	173.5	0	113.8	H258	H258-K260 PolarHBondContact ND1-N 2.93Å; H258-K260 PolarHBondContact O-N 3.32Å
261	R	91.2	Very high	96.6	Very high	65 Å²	65	35.4 Å²	35.4	25%	0.245	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	122.9	-173.7	-173.5	54.9	-178.6	-92.7	2.5	111.4	I85 A223 H257 H258	I85-R261 HydrophobicContact CG2-CG 4.24Å; A223-R261 PolarHBondContact O-NH2 3.19Å; H257-R261 HydrophobicContact CB-CB 4.46Å; H257-R261 HydrophobicContact CB-CG 4.48Å; H257-R261 PolarHBondContact N-O 3.08Å; H258-R261 WeakPolarHBondContact CE1-CB 3.4Å; H258-R261 PolarHBondContact N-O 3.31Å; H258-R261 VanDerWaalsContact NE2-CB 3.28Å; H258-R261 WeakPolarHBondContact NE2-CB 3.3Å; H258-R261 PolarHBondContact O-N 3.08Å; H258-R261 VanDerWaalsContact O-N 3.1Å
262	S	94.9	Very high	96.6	Very high	50 Å²	50	35.4 Å²	35.4	35%	0.35	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	150.7	170.5	-46.9	0	0	0	0	110	G255	G255-S262 CarbonylContact O-C 3.55Å; G255-S262 WeakPolarHBondContact O-CA 3.29Å; G255-S262 VanDerWaalsContact O-CB 3.25Å; G255-S262 WeakPolarHBondContact O-CB 3.45Å
263	S	96.9	Very high	96.6	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.021	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	152.2	176.3	-78.9	0	0	0	0	112.5	A223 F224 Q253 G255 H257 G265	A223-S263 PolarHBondContact O-OG 2.95Å; F224-S263 CarbonylContact O-C 3.58Å; F224-S263 WeakPolarHBondContact O-CA 3.15Å; F224-S263 WeakPolarHBondContact O-CB 3.29Å; F224-S263 PolarHBondContact O-OG 3.07Å; Q253-S263 VanDerWaalsContact O-CB 3.3Å; Q253-S263 WeakPolarHBondContact O-CB 3.3Å; G255-S263 PolarHBondContact N-O 3.26Å; G255-S263 VanDerWaalsContact N-O 3.1Å; G255-S263 PolarHBondContact O-N 3.16Å; H257-S263 VanDerWaalsContact NE2-CB 3.28Å; H257-S263 WeakPolarHBondContact NE2-CB 3.38Å; H257-S263 PolarHBondContact NE2-OG 2.79Å; S263-G265 VanDerWaalsContact C-N 3.3Å; S263-G265 PolarHBondContact O-N 3.16Å
264	Y	98	Very high	96.6	Very high	55 Å²	55	42.3 Å²	42.3	22%	0.216	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	-29.5	-171.8	-175.7	-119.2	0	0	0	113.6	F224 V226 G229 A230 W233 H266 G282	F224-Y264 PolarHBondContact O-N 2.54Å; V226-Y264 HydrophobicContact CG1-CD2 4.43Å; G229-Y264 VanDerWaalsContact C-CE1 3.5Å; A230-Y264 VanDerWaalsContact CA-CE2 3.43Å; A230-Y264 HydrophobicContact CB-CD2 4.35Å; A230-Y264 HydrophobicContact CB-CE2 3.71Å; A230-Y264 VanDerWaalsContact N-CE2 3.32Å; W233-Y264 HydrophobicContact CB-CD1 4.09Å; W233-Y264 HydrophobicContact CB-CE1 4.1Å; W233-Y264 HydrophobicContact CG-CD1 4.21Å; W233-Y264 HydrophobicContact CG-CE1 4.39Å; Y264-H266 HydrophobicContact CD1-CB 4.16Å; Y264-H266 AromaticContact CD1-CD2 3.65Å; Y264-H266 HydrophobicContact CE1-CB 3.94Å; Y264-H266 AromaticContact CE1-CD2 3.21Å; Y264-H266 WeakPolarHBondContact CE1-CD2 3.34Å; Y264-H266 AromaticContact CE1-CG 3.68Å; Y264-H266 AromaticContact CE1-NE2 3.99Å; Y264-H266 AromaticContact CE2-CD2 3.96Å; Y264-H266 AromaticContact CZ-CD2 3.37Å; Y264-H266 AromaticContact CZ-NE2 3.67Å; Y264-H266 PolarHBondContact O-CD2 3.16Å; Y264-G282 VanDerWaalsContact O-CA 3.31Å; Y264-G282 WeakPolarHBondContact O-CA 3.42Å
265	G	98.1	Very high	96.6	Very high	2 Å²	2	45.9 Å²	45.9	2%	0.021	23%	0.227	C	C	.	.			trans	74.4	-137.8	-168.2	0	0	0	0	0	111.5	Q47 A252 Q253 S263	Q47-G265 VanDerWaalsContact OE1-CA 3.25Å; A252-G265 WeakPolarHBondContact CB-O 3.46Å; Q253-G265 WeakPolarHBondContact O-CA 3.13Å; Q253-G265 PolarHBondContact O-N 2.84Å; S263-G265 VanDerWaalsContact C-N 3.3Å; S263-G265 PolarHBondContact O-N 3.16Å
266	H	98.4	Very high	96.6	Very high	40 Å²	40	47.3 Å²	47.3	19%	0.185	23%	0.231	C	C	.	.			trans	54.6	49.8	-173.5	-65.1	-92	0	0	0	112.3	W233 Y264 L268 D279 G281 G282	W233-H266 PolarHBondContact NE1-O 3.36Å; Y264-H266 HydrophobicContact CD1-CB 4.16Å; Y264-H266 AromaticContact CD1-CD2 3.65Å; Y264-H266 HydrophobicContact CE1-CB 3.94Å; Y264-H266 AromaticContact CE1-CD2 3.21Å; Y264-H266 WeakPolarHBondContact CE1-CD2 3.34Å; Y264-H266 AromaticContact CE1-CG 3.68Å; Y264-H266 AromaticContact CE1-NE2 3.99Å; Y264-H266 AromaticContact CE2-CD2 3.96Å; Y264-H266 AromaticContact CZ-CD2 3.37Å; Y264-H266 AromaticContact CZ-NE2 3.67Å; Y264-H266 PolarHBondContact O-CD2 3.16Å; H266-L268 WeakPolarHBondContact O-CB 3.43Å; H266-L268 PolarHBondContact O-N 3.38Å; H266-D279 VanDerWaalsContact CA-OD1 3.3Å; H266-D279 WeakPolarHBondContact CA-OD1 3.45Å; H266-D279 WeakPolarHBondContact CB-OD1 3.3Å; H266-D279 IonicContact CE1-OD2 3.22Å; H266-D279 IonicContact CG-OD1 2.85Å; H266-D279 IonicContact CG-OD2 3.06Å; H266-D279 VanDerWaalsContact ND1-CG 3.34Å; H266-D279 IonicContact ND1-OD1 3.95Å; H266-D279 PolarHBondContact ND1-OD1 2.86Å; H266-D279 IonicContact ND1-OD2 3.85Å; H266-D279 PolarHBondContact ND1-OD2 2.91Å; H266-G281 WeakPolarHBondContact CA-O 3.44Å; H266-G281 PolarHBondContact N-O 3.44Å; H266-G282 PolarHBondContact NE2-N 2.95Å
267	A	98.7	Very high	96.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.215	C	C	.	.			trans	-54.1	119	168.1	0	0	0	0	0	108.5	V45 C46 Q47 A250 A252 C280	V45-A267 HydrophobicContact CG1-CB 4.18Å; C46-A267 WeakPolarHBondContact O-CB 3.45Å; Q47-A267 HydrophobicContact CB-CB 3.7Å; Q47-A267 HydrophobicContact CG-CB 4.36Å; A250-A267 CarbonylContact O-C 3.43Å; A250-A267 VanDerWaalsContact O-CA 3.3Å; A250-A267 WeakPolarHBondContact O-CA 3.33Å; A252-A267 HydrophobicContact CB-CB 3.87Å; A267-C280 HydrophobicContact CB-CB 4.08Å; A267-C280 PolarHBondContact O-N 3.26Å
268	L	98.6	Very high	96.7	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	143.3	-158.2	-160.9	77.9	0	0	0	110.5	E234 L237 A250 H266 V270 V276 G278 D279	E234-L268 HydrophobicContact CB-CD2 4.42Å; E234-L268 HydrophobicContact CG-CD2 4.03Å; L237-L268 HydrophobicContact CB-CD2 4.16Å; L237-L268 HydrophobicContact CD1-CB 3.82Å; L237-L268 HydrophobicContact CD1-CD2 3.63Å; L237-L268 HydrophobicContact CD1-CG 4.35Å; A250-L268 PolarHBondContact N-O 2.91Å; A250-L268 PolarHBondContact O-N 2.71Å; H266-L268 WeakPolarHBondContact O-CB 3.43Å; H266-L268 PolarHBondContact O-N 3.38Å; L268-V270 HydrophobicContact CD2-CG2 3.72Å; L268-V270 HydrophobicContact CG-CG2 4.14Å; L268-V276 HydrophobicContact CD1-CG1 3.53Å; L268-V276 HydrophobicContact CD1-CG2 4.37Å; L268-V276 HydrophobicContact CD2-CG2 4.45Å; L268-V276 HydrophobicContact CG-CG1 4.2Å; L268-G278 WeakPolarHBondContact CA-O 3.48Å; L268-G278 WeakPolarHBondContact CD1-O 3.39Å; L268-D279 HydrophobicContact CD1-CB 3.69Å
269	A	98.8	Very high	96.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	136.9	166.2	0	0	0	0	0	111.2	V45 V248 L249 V276 M277 G278 L290	V45-A269 HydrophobicContact CG2-CB 4.44Å; V248-A269 CarbonylContact O-C 3.58Å; V248-A269 VanDerWaalsContact O-CA 3.32Å; V248-A269 WeakPolarHBondContact O-CA 3.32Å; L249-A269 HydrophobicContact CD2-CB 3.64Å; A269-V276 CarbonylContact O-C 3.37Å; A269-V276 WeakPolarHBondContact O-CA 3.44Å; A269-M277 HydrophobicContact CB-CB 4.38Å; A269-M277 PolarHBondContact O-N 3.17Å; A269-G278 PolarHBondContact N-O 2.84Å; A269-G278 PolarHBondContact O-N 3.01Å; A269-L290 HydrophobicContact CB-CD1 3.13Å; A269-L290 HydrophobicContact CB-CD2 3.85Å; A269-L290 HydrophobicContact CB-CG 4.1Å
270	V	98.9	Very high	97.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	136.6	-177.6	-167.9	0	0	0	0	109.5	L237 R238 A241 F247 V248 L268 G274 V275	L237-V270 HydrophobicContact CB-CG2 4.35Å; R238-V270 HydrophobicContact CB-CG1 4.46Å; R238-V270 HydrophobicContact CG-CG1 3.88Å; R238-V270 HydrophobicContact CG-CG2 3.98Å; A241-V270 HydrophobicContact CB-CB 4.02Å; A241-V270 HydrophobicContact CB-CG1 3.67Å; F247-V270 CarbonylContact C-O 3.6Å; F247-V270 WeakPolarHBondContact CA-O 3.43Å; V248-V270 HydrophobicContact CB-CB 4.34Å; V248-V270 PolarHBondContact N-O 3.3Å; V248-V270 PolarHBondContact O-N 3.14Å; L268-V270 HydrophobicContact CD2-CG2 3.72Å; L268-V270 HydrophobicContact CG-CG2 4.14Å; V270-G274 VanDerWaalsContact CG1-C 3.47Å; V270-V275 CarbonylContact C-O 3.39Å; V270-V275 WeakPolarHBondContact CA-O 3.02Å; V270-V275 WeakPolarHBondContact CG1-O 3.36Å
271	D	98.8	Very high	97.6	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	16%	0.16	C	C	.	.			trans	-80.6	169.6	175.8	82.3	4.2	0	0	0	112.8	A241 F247 W273 G274 V275 M277 K296	A241-D271 WeakPolarHBondContact CB-O 3.19Å; F247-D271 HydrophobicContact CD1-CB 4.28Å; F247-D271 HydrophobicContact CE1-CB 4.01Å; D271-W273 PolarHBondContact O-N 3.42Å; D271-W273 WeakPolarHBondContact OD1-CA 3.45Å; D271-W273 WeakPolarHBondContact OD1-CB 3.47Å; D271-W273 PolarHBondContact OD1-N 3.2Å; D271-G274 PolarHBondContact O-N 3.24Å; D271-G274 PolarHBondContact OD1-N 2.71Å; D271-V275 PolarHBondContact N-O 2.98Å; D271-V275 WeakPolarHBondContact OD1-CB 3.41Å; D271-V275 PolarHBondContact OD1-N 3.38Å; D271-V275 WeakPolarHBondContact OD2-CB 3.36Å; D271-M277 HydrophobicContact CB-CG 3.93Å; D271-M277 HydrophobicContact CB-SD 3.63Å; D271-K296 WeakPolarHBondContact OD2-CE 3.43Å; D271-K296 IonicContact OD2-NZ 2.59Å; D271-K296 PolarHBondContact OD2-NZ 3.39Å
272	P	98.6	Very high	97.7	Very high	1 Å²	1	29 Å²	29	1%	0.006	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-15	179.4	-28.2	37.6	0	0	0	115.9	F247 L297 T300	F247-P272 HydrophobicContact CD1-CG 4.46Å; F247-P272 HydrophobicContact CD2-CG 3.84Å; F247-P272 HydrophobicContact CE1-CG 4.4Å; F247-P272 HydrophobicContact CE2-CG 3.77Å; F247-P272 HydrophobicContact CG-CG 4.19Å; F247-P272 HydrophobicContact CZ-CG 4.06Å; P272-L297 HydrophobicContact CG-CB 3.81Å; P272-L297 HydrophobicContact CG-CD1 4.21Å; P272-L297 HydrophobicContact CG-CG 4.1Å; P272-T300 HydrophobicContact CB-CG2 4.01Å
273	W	98.2	Very high	97.4	Very high	148 Å²	148	34.1 Å²	34.1	56%	0.561	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-4.4	175.8	-164.1	-107.3	0	0	0	112.5	D271 T300 M304	D271-W273 PolarHBondContact O-N 3.42Å; D271-W273 WeakPolarHBondContact OD1-CA 3.45Å; D271-W273 WeakPolarHBondContact OD1-CB 3.47Å; D271-W273 PolarHBondContact OD1-N 3.2Å; W273-T300 HydrophobicContact CE3-CG2 3.8Å; W273-T300 HydrophobicContact CZ3-CG2 4.35Å; W273-M304 HydrophobicContact CH2-CE 4.4Å; W273-M304 HydrophobicContact CZ3-CB 4.17Å
274	G	98.2	Very high	97.2	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.01	19%	0.193	C	C	.	.	S	Bend	trans	86.2	16.3	-176.8	0	0	0	0	0	114.2	R238 V270 D271	R238-G274 PolarHBondContact NE-O 3.3Å; R238-G274 PolarHBondContact NH2-O 3.29Å; V270-G274 VanDerWaalsContact CG1-C 3.47Å; D271-G274 PolarHBondContact O-N 3.24Å; D271-G274 PolarHBondContact OD1-N 2.71Å
275	V	98.4	Very high	97.2	Very high	76 Å²	76	35.5 Å²	35.5	46%	0.461	19%	0.194	S	C	.	.			trans	-81.4	128.8	173.2	-177.4	0	0	0	0	109.4	V270 D271 M277	V270-V275 CarbonylContact C-O 3.39Å; V270-V275 WeakPolarHBondContact CA-O 3.02Å; V270-V275 WeakPolarHBondContact CG1-O 3.36Å; D271-V275 PolarHBondContact N-O 2.98Å; D271-V275 WeakPolarHBondContact OD1-CB 3.41Å; D271-V275 PolarHBondContact OD1-N 3.38Å; D271-V275 WeakPolarHBondContact OD2-CB 3.36Å; V275-M277 PolarHBondContact O-N 3.35Å
276	V	98.5	Very high	97.1	Very high	52 Å²	52	35.6 Å²	35.6	32%	0.315	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	115.4	172	177.6	0	0	0	0	108.9	E234 R238 L268 A269 D279	E234-V276 HydrophobicContact CG-CG2 4.35Å; R238-V276 HydrophobicContact CG-CG2 4.33Å; L268-V276 HydrophobicContact CD1-CG1 3.53Å; L268-V276 HydrophobicContact CD1-CG2 4.37Å; L268-V276 HydrophobicContact CD2-CG2 4.45Å; L268-V276 HydrophobicContact CG-CG1 4.2Å; A269-V276 CarbonylContact O-C 3.37Å; A269-V276 WeakPolarHBondContact O-CA 3.44Å; V276-D279 HydrophobicContact CG1-CB 4.38Å
277	M	98.1	Very high	97.1	Very high	39 Å²	39	33.9 Å²	33.9	19%	0.192	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-29	179.6	-61	175.3	65.7	0	0	112.1	Q32 F247 A269 D271 V275 L290 E291	Q32-M277 PolarHBondContact OE1-O 3.49Å; F247-M277 HydrophobicContact CD1-SD 3.86Å; F247-M277 HydrophobicContact CE1-CE 4.24Å; F247-M277 HydrophobicContact CE1-SD 3.73Å; A269-M277 HydrophobicContact CB-CB 4.38Å; A269-M277 PolarHBondContact O-N 3.17Å; D271-M277 HydrophobicContact CB-CG 3.93Å; D271-M277 HydrophobicContact CB-SD 3.63Å; V275-M277 PolarHBondContact O-N 3.35Å; M277-L290 HydrophobicContact CB-CD2 3.57Å; M277-L290 HydrophobicContact CE-CB 4.48Å; M277-L290 HydrophobicContact CE-CD2 4.47Å; M277-E291 WeakPolarHBondContact CE-O 3.43Å
278	G	96.8	Very high	97.1	Very high	7 Å²	7	34 Å²	34	7%	0.072	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	143	176.9	0	0	0	0	0	111.5	L268 A269	L268-G278 WeakPolarHBondContact CA-O 3.48Å; L268-G278 WeakPolarHBondContact CD1-O 3.39Å; A269-G278 PolarHBondContact N-O 2.84Å; A269-G278 PolarHBondContact O-N 3.01Å
279	D	97.9	Very high	97.1	Very high	54 Å²	54	34.6 Å²	34.6	29%	0.289	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	122.5	175.2	-176.9	-6.9	0	0	0	108.4	H266 L268 V276 G281	H266-D279 VanDerWaalsContact CA-OD1 3.3Å; H266-D279 WeakPolarHBondContact CA-OD1 3.45Å; H266-D279 WeakPolarHBondContact CB-OD1 3.3Å; H266-D279 IonicContact CE1-OD2 3.22Å; H266-D279 IonicContact CG-OD1 2.85Å; H266-D279 IonicContact CG-OD2 3.06Å; H266-D279 VanDerWaalsContact ND1-CG 3.34Å; H266-D279 IonicContact ND1-OD1 3.95Å; H266-D279 PolarHBondContact ND1-OD1 2.86Å; H266-D279 IonicContact ND1-OD2 3.85Å; H266-D279 PolarHBondContact ND1-OD2 2.91Å; L268-D279 HydrophobicContact CD1-CB 3.69Å; V276-D279 HydrophobicContact CG1-CB 4.38Å; D279-G281 VanDerWaalsContact C-N 3.28Å; D279-G281 PolarHBondContact O-N 2.82Å; D279-G281 PolarHBondContact OD1-N 3.48Å
280	C	97.7	Very high	97	Very high	23 Å²	23	34.9 Å²	34.9	16%	0.155	19%	0.193	C	C	.	.			trans	-81.6	-1.6	179.1	-61.3	0	0	0	0	114	Q47 A267 M287 A288	Q47-C280 HydrophobicContact CB-CB 3.91Å; Q47-C280 HydrophobicContact CG-CB 4.45Å; Q47-C280 PolarHBondContact NE2-O 3.16Å; A267-C280 HydrophobicContact CB-CB 4.08Å; A267-C280 PolarHBondContact O-N 3.26Å; C280-M287 VanDerWaalsContact SG-CA 3.56Å; C280-A288 PolarHBondContact SG-N 3.34Å
281	G	96.8	Very high	96.9	Very high	23 Å²	23	37.5 Å²	37.5	24%	0.237	21%	0.205	C	C	.	.			trans	70.6	-179.7	-178	0	0	0	0	0	113.6	Q47 H266 D279	Q47-G281 PolarHBondContact NE2-O 3.44Å; Q47-G281 PolarHBondContact OE1-O 2.72Å; Q47-G281 VanDerWaalsContact OE1-O 3.08Å; H266-G281 WeakPolarHBondContact CA-O 3.44Å; H266-G281 PolarHBondContact N-O 3.44Å; D279-G281 VanDerWaalsContact C-N 3.28Å; D279-G281 PolarHBondContact O-N 2.82Å; D279-G281 PolarHBondContact OD1-N 3.48Å
282	G	92.4	Very high	96.9	Very high	31 Å²	31	37.5 Å²	37.5	32%	0.32	21%	0.205	S	C	.	.	S	Bend	trans	-100.7	7.8	-170.2	0	0	0	0	0	116.6	V254 Y264 H266	V254-G282 WeakPolarHBondContact CG2-O 3.38Å; Y264-G282 VanDerWaalsContact O-CA 3.31Å; Y264-G282 WeakPolarHBondContact O-CA 3.42Å; H266-G282 PolarHBondContact NE2-N 2.95Å
283	E	88.3	Confident	96.8	Very high	158 Å²	158	39.6 Å²	39.6	74%	0.738	22%	0.216	S	C	*	.	S	Bend	trans	-114.7	-48.5	-168	-64.9	-176.6	173.3	0	0	114.4
284	N	94.3	Very high	96.8	Very high	48 Å²	48	34.2 Å²	34.2	26%	0.257	20%	0.198	S	C	.	.	S	Bend	trans	-118.7	150.2	-162.4	-65.4	-63.9	0	0	0	112.7	I28 Q47	I28-N284 HydrophobicContact CD1-CB 4.43Å; I28-N284 WeakPolarHBondContact CD1-ND2 3.46Å; Q47-N284 PolarHBondContact NE2-O 3.05Å
285	T	96.6	Very high	96.7	Very high	39 Å²	39	37.8 Å²	37.8	24%	0.239	21%	0.214	C	C	.	.			trans	-59.8	138.8	164.5	-68	0	0	0	0	109.5	Q47 T49 L64	Q47-T285 WeakPolarHBondContact O-CA 3.45Å; Q47-T285 WeakPolarHBondContact O-CG2 3.41Å; T49-T285 PolarHBondContact N-OG1 2.98Å; L64-T285 HydrophobicContact CD1-CG2 3.9Å; L64-T285 HydrophobicContact CD2-CG2 4.43Å; L64-T285 HydrophobicContact CG-CG2 4.43Å
286	G	97.3	Very high	96.6	Very high	4 Å²	4	38 Å²	38	4%	0.041	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.9	-167.1	-174.3	0	0	0	0	0	112.2	Q47	Q47-G286 PolarHBondContact N-O 2.55Å; Q47-G286 PolarHBondContact O-N 3.29Å
287	M	98.3	Very high	96.5	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.02	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	163.7	172.1	64	-177.8	172.9	0	0	112.2	W29 A44 V45 C46 A67 A68 C280	W29-M287 HydrophobicContact CE3-CE 4.14Å; W29-M287 HydrophobicContact CH2-CE 3.43Å; W29-M287 VanDerWaalsContact CH2-CE 3.43Å; W29-M287 HydrophobicContact CZ3-CE 3.05Å; W29-M287 HydrophobicContact CZ3-CG 4.23Å; A44-M287 HydrophobicContact CB-SD 3.98Å; V45-M287 WeakPolarHBondContact O-CA 3.47Å; V45-M287 VanDerWaalsContact O-CB 3.26Å; V45-M287 WeakPolarHBondContact O-CB 3.39Å; C46-M287 HydrophobicContact CB-CB 4.35Å; A67-M287 HydrophobicContact CB-CE 4.02Å; A68-M287 HydrophobicContact CB-CE 3.8Å; A68-M287 HydrophobicContact CB-SD 3.69Å; C280-M287 VanDerWaalsContact SG-CA 3.56Å
288	A	98.1	Very high	96.5	Very high	2 Å²	2	39.9 Å²	39.9	2%	0.017	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	132.4	168.9	0	0	0	0	0	110.2	A44 V45 C280 L290	A44-A288 CarbonylContact C-O 3.57Å; A44-A288 WeakPolarHBondContact CA-O 3.3Å; V45-A288 PolarHBondContact N-O 2.99Å; V45-A288 PolarHBondContact O-N 2.91Å; C280-A288 PolarHBondContact SG-N 3.34Å; A288-L290 HydrophobicContact CB-CG 4.43Å
289	L	98.4	Very high	96.5	Very high	16 Å²	16	42.6 Å²	42.6	8%	0.084	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	133.6	170.6	-71.4	167.3	0	0	0	109.6	M34 V42 A43 A44 A73	M34-L289 HydrophobicContact SD-CB 3.85Å; V42-L289 HydrophobicContact CG1-CB 4.41Å; V42-L289 HydrophobicContact CG1-CD2 4.01Å; A43-L289 WeakPolarHBondContact O-CA 3.38Å; A44-L289 HydrophobicContact CB-CD2 3.65Å; A73-L289 HydrophobicContact CB-CD2 4.05Å
290	L	96.8	Very high	96.5	Very high	6 Å²	6	40.7 Å²	40.7	3%	0.031	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	133.8	-166.3	-55	150.2	0	0	0	109.8	V42 A43 V45 L249 A269 M277 A288	V42-L290 CarbonylContact C-O 3.59Å; V42-L290 VanDerWaalsContact CA-O 3.31Å; V42-L290 WeakPolarHBondContact CA-O 3.16Å; A43-L290 PolarHBondContact N-O 2.96Å; A43-L290 PolarHBondContact O-N 3.48Å; V45-L290 HydrophobicContact CB-CD1 4.4Å; V45-L290 HydrophobicContact CG2-CD1 3.72Å; L249-L290 HydrophobicContact CD2-CD1 4.09Å; A269-L290 HydrophobicContact CB-CD1 3.13Å; A269-L290 HydrophobicContact CB-CD2 3.85Å; A269-L290 HydrophobicContact CB-CG 4.1Å; M277-L290 HydrophobicContact CB-CD2 3.57Å; M277-L290 HydrophobicContact CE-CB 4.48Å; M277-L290 HydrophobicContact CE-CD2 4.47Å; A288-L290 HydrophobicContact CB-CG 4.43Å
291	E	97.3	Very high	96.4	Very high	54 Å²	54	42.4 Å²	42.4	25%	0.252	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	129.4	170.8	-62.5	-178.9	-171.9	0	0	109.6	M34 S38 H40 V42 M277	M34-E291 HydrophobicContact CE-CG 3.71Å; S38-E291 WeakPolarHBondContact CB-OE1 3.42Å; S38-E291 VanDerWaalsContact CB-OE2 3.24Å; S38-E291 WeakPolarHBondContact CB-OE2 3.09Å; S38-E291 PolarHBondContact OG-OE1 2.85Å; S38-E291 PolarHBondContact OG-OE2 2.84Å; H40-E291 HydrophobicContact CB-CB 4.22Å; V42-E291 HydrophobicContact CG2-CG 4.42Å; M277-E291 WeakPolarHBondContact CE-O 3.43Å
292	I	97.8	Very high	96.5	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.01	23%	0.234	C	C	.	.			trans	-100.1	99.1	179.5	-54.4	-58.6	0	0	0	109.3	P41 A43 I190 I217 F247 L249 L294	P41-I292 PolarHBondContact O-N 3.36Å; A43-I292 HydrophobicContact CB-CD1 4.14Å; A43-I292 HydrophobicContact CB-CG1 3.9Å; I190-I292 HydrophobicContact CB-CB 4.47Å; I190-I292 HydrophobicContact CB-CG1 4.31Å; I190-I292 WeakPolarHBondContact O-CG2 3.36Å; I217-I292 HydrophobicContact CD1-CG2 4.06Å; F247-I292 HydrophobicContact CD1-CD1 4.41Å; F247-I292 HydrophobicContact CD2-CG2 4.26Å; F247-I292 HydrophobicContact CE2-CG2 4.2Å; L249-I292 HydrophobicContact CD1-CD1 4.38Å; L249-I292 HydrophobicContact CD2-CD1 4.39Å; I292-L294 HydrophobicContact CG2-CD2 3.97Å; I292-L294 HydrophobicContact CG2-CG 4.45Å
293	D	96.9	Very high	96.7	Very high	45 Å²	45	53.2 Å²	53.2	24%	0.241	25%	0.251	C	S	.	.			trans	-94.4	98.9	175.8	179.7	12.4	0	0	0	111.1	H40 F247 E295 K296	H40-D293 VanDerWaalsContact CE1-CG 3.46Å; H40-D293 IonicContact CE1-OD1 3.01Å; H40-D293 PolarHBondContact CE1-OD1 3.15Å; H40-D293 IonicContact ND1-OD1 3.99Å; F247-D293 WeakPolarHBondContact CE2-O 3.28Å; F247-D293 VanDerWaalsContact CZ-O 3.29Å; F247-D293 WeakPolarHBondContact CZ-O 3.31Å; D293-E295 PolarHBondContact O-N 3.09Å; D293-E295 WeakPolarHBondContact OD1-CA 3.38Å; D293-E295 WeakPolarHBondContact OD1-CB 3.23Å; D293-E295 PolarHBondContact OD1-N 3.29Å; D293-K296 HydrophobicContact CB-CB 4.19Å; D293-K296 WeakPolarHBondContact O-CB 3.37Å; D293-K296 PolarHBondContact O-N 2.82Å; D293-K296 PolarHBondContact OD1-N 3.17Å; D293-K296 PolarHBondContact OD2-N 3.49Å
294	L	97.3	Very high	97.1	Very high	34 Å²	34	49.8 Å²	49.8	18%	0.178	24%	0.236	C	C	.	.	H	α-helix	trans	-70.7	-15.9	177	-61.3	-178.4	0	0	0	113.2	E216 F247 I292 L297 R298	E216-L294 HydrophobicContact CB-CD2 4.06Å; F247-L294 HydrophobicContact CE2-CD2 4.3Å; I292-L294 HydrophobicContact CG2-CD2 3.97Å; I292-L294 HydrophobicContact CG2-CG 4.45Å; L294-L297 WeakPolarHBondContact O-CB 3.32Å; L294-L297 PolarHBondContact O-N 2.53Å; L294-R298 WeakPolarHBondContact O-CG 3.49Å; L294-R298 PolarHBondContact O-N 3.48Å; L294-R298 VanDerWaalsContact O-N 3.14Å
295	E	97	Very high	97.2	Very high	76 Å²	76	48.9 Å²	48.9	36%	0.355	23%	0.233	S	C	.	.	H	α-helix	trans	-72.1	-38.8	172.4	-164.9	59.2	-152.3	0	0	110.6	D293 L297 R298 D299 R302	D293-E295 PolarHBondContact O-N 3.09Å; D293-E295 WeakPolarHBondContact OD1-CA 3.38Å; D293-E295 WeakPolarHBondContact OD1-CB 3.23Å; D293-E295 PolarHBondContact OD1-N 3.29Å; E295-L297 PolarHBondContact O-N 3.22Å; E295-R298 PolarHBondContact O-N 3.19Å; E295-R298 VanDerWaalsContact O-N 3.07Å; E295-R298 VanDerWaalsContact OE2-CD 3.29Å; E295-R298 WeakPolarHBondContact OE2-CD 3.29Å; E295-R298 IonicContact OE2-CZ 2.83Å; E295-R298 IonicContact OE2-NH1 2.71Å; E295-R298 PolarHBondContact OE2-NH1 3.44Å; E295-D299 WeakPolarHBondContact O-CB 3.23Å; E295-D299 PolarHBondContact O-N 3.18Å; E295-R302 IonicContact OE1-NH2 3.19Å; E295-R302 PolarHBondContact OE1-NH2 2.7Å
296	K	95.8	Very high	97.1	Very high	82 Å²	82	49.2 Å²	49.2	36%	0.357	24%	0.235	S	C	.	.	H	α-helix	trans	-55	-39.8	170.1	-173.1	179.7	-168.4	177.7	0	112.8	D271 D293 T300	D271-K296 WeakPolarHBondContact OD2-CE 3.43Å; D271-K296 IonicContact OD2-NZ 2.59Å; D271-K296 PolarHBondContact OD2-NZ 3.39Å; D293-K296 HydrophobicContact CB-CB 4.19Å; D293-K296 WeakPolarHBondContact O-CB 3.37Å; D293-K296 PolarHBondContact O-N 2.82Å; D293-K296 PolarHBondContact OD1-N 3.17Å; D293-K296 PolarHBondContact OD2-N 3.49Å; K296-T300 WeakPolarHBondContact O-CB 3.3Å; K296-T300 PolarHBondContact O-N 3Å; K296-T300 PolarHBondContact O-OG1 3.3Å
297	L	96.7	Very high	96.8	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-62	-49.9	174.5	177.6	151.8	0	0	0	111.1	E216 Q245 F247 P272 L294 E295 D299 T300 Q301	E216-L297 HydrophobicContact CB-CD1 3.92Å; E216-L297 HydrophobicContact CG-CD1 4.38Å; E216-L297 VanDerWaalsContact O-CD1 3.23Å; E216-L297 WeakPolarHBondContact O-CD1 3.42Å; Q245-L297 WeakPolarHBondContact O-CG 3.3Å; F247-L297 HydrophobicContact CD2-CD1 4.11Å; F247-L297 HydrophobicContact CE2-CB 4Å; F247-L297 HydrophobicContact CE2-CD1 4.36Å; P272-L297 HydrophobicContact CG-CB 3.81Å; P272-L297 HydrophobicContact CG-CD1 4.21Å; P272-L297 HydrophobicContact CG-CG 4.1Å; L294-L297 WeakPolarHBondContact O-CB 3.32Å; L294-L297 PolarHBondContact O-N 2.53Å; E295-L297 PolarHBondContact O-N 3.22Å; L297-D299 VanDerWaalsContact C-N 3.33Å; L297-D299 PolarHBondContact O-N 3.12Å; L297-T300 WeakPolarHBondContact O-CB 3.26Å; L297-T300 PolarHBondContact O-N 3.35Å; L297-Q301 HydrophobicContact CD2-CG 4.46Å; L297-Q301 WeakPolarHBondContact O-CG 3.2Å; L297-Q301 PolarHBondContact O-N 2.92Å
298	R	97.4	Very high	96.6	Very high	126 Å²	126	59.3 Å²	59.3	48%	0.475	28%	0.281	S	S	.	.	H	α-helix	trans	-61.6	-42	179.4	-67.4	164	-174.1	175.2	0.6	111.8	L294 E295 Q301 R302	L294-R298 WeakPolarHBondContact O-CG 3.49Å; L294-R298 PolarHBondContact O-N 3.48Å; L294-R298 VanDerWaalsContact O-N 3.14Å; E295-R298 PolarHBondContact O-N 3.19Å; E295-R298 VanDerWaalsContact O-N 3.07Å; E295-R298 VanDerWaalsContact OE2-CD 3.29Å; E295-R298 WeakPolarHBondContact OE2-CD 3.29Å; E295-R298 IonicContact OE2-CZ 2.83Å; E295-R298 IonicContact OE2-NH1 2.71Å; E295-R298 PolarHBondContact OE2-NH1 3.44Å; R298-Q301 PolarHBondContact O-N 3.03Å; R298-R302 WeakPolarHBondContact O-CB 3.12Å; R298-R302 PolarHBondContact O-N 2.95Å
299	D	97.6	Very high	96.5	Very high	63 Å²	63	65.2 Å²	65.2	34%	0.337	31%	0.308	S	S	.	.	H	α-helix	trans	-65.9	-38.8	176.9	-78.5	-12.4	0	0	0	112.3	E295 L297 Q301 R302 N303	E295-D299 WeakPolarHBondContact O-CB 3.23Å; E295-D299 PolarHBondContact O-N 3.18Å; L297-D299 VanDerWaalsContact C-N 3.33Å; L297-D299 PolarHBondContact O-N 3.12Å; D299-Q301 VanDerWaalsContact C-N 3.34Å; D299-Q301 PolarHBondContact O-N 3.12Å; D299-R302 PolarHBondContact O-N 3.34Å; D299-R302 IonicContact OD1-CZ 3.8Å; D299-R302 IonicContact OD1-NE 2.75Å; D299-R302 PolarHBondContact OD1-NE 3.26Å; D299-R302 IonicContact OD1-NH2 2.74Å; D299-R302 PolarHBondContact OD1-NH2 2.95Å; D299-N303 WeakPolarHBondContact O-CB 3.14Å; D299-N303 VanDerWaalsContact O-CG 3.3Å; D299-N303 PolarHBondContact O-N 3.09Å; D299-N303 PolarHBondContact O-ND2 2.73Å
300	T	97.6	Very high	96.2	Very high	14 Å²	14	69.4 Å²	69.4	9%	0.086	32%	0.323	C	S	.	.	H	α-helix	trans	-59.1	-47.4	172.6	-62.2	0	0	0	0	110.9	Q245 P272 W273 K296 L297 M304	Q245-T300 HydrophobicContact CB-CG2 4.33Å; Q245-T300 HydrophobicContact CG-CG2 4.28Å; Q245-T300 PolarHBondContact NE2-O 2.88Å; Q245-T300 VanDerWaalsContact NE2-O 3.16Å; P272-T300 HydrophobicContact CB-CG2 4.01Å; W273-T300 HydrophobicContact CE3-CG2 3.8Å; W273-T300 HydrophobicContact CZ3-CG2 4.35Å; K296-T300 WeakPolarHBondContact O-CB 3.3Å; K296-T300 PolarHBondContact O-N 3Å; K296-T300 PolarHBondContact O-OG1 3.3Å; L297-T300 WeakPolarHBondContact O-CB 3.26Å; L297-T300 PolarHBondContact O-N 3.35Å; T300-M304 PolarHBondContact O-N 3.28Å
301	Q	97	Very high	96	Very high	59 Å²	59	76.3 Å²	76.3	28%	0.276	35%	0.348	S	S	.	.	H	α-helix	trans	-66.7	-36.4	178.3	-68.7	177.6	-4	0	0	112.7	Q245 L297 R298 D299 M304 P305	Q245-Q301 HydrophobicContact CB-CG 3.78Å; Q245-Q301 PolarHBondContact O-NE2 3.15Å; L297-Q301 HydrophobicContact CD2-CG 4.46Å; L297-Q301 WeakPolarHBondContact O-CG 3.2Å; L297-Q301 PolarHBondContact O-N 2.92Å; R298-Q301 PolarHBondContact O-N 3.03Å; D299-Q301 VanDerWaalsContact C-N 3.34Å; D299-Q301 PolarHBondContact O-N 3.12Å; Q301-M304 CarbonylContact O-C 3.48Å; Q301-P305 WeakPolarHBondContact O-CA 3.37Å
302	R	97.1	Very high	95.5	Very high	156 Å²	156	78.6 Å²	78.6	59%	0.589	36%	0.362	S	S	*	.	H	α-helix	trans	-68	-44.6	178	-163.6	-167.7	-35.6	-129.5	5.6	112	E295 R298 D299	E295-R302 IonicContact OE1-NH2 3.19Å; E295-R302 PolarHBondContact OE1-NH2 2.7Å; R298-R302 WeakPolarHBondContact O-CB 3.12Å; R298-R302 PolarHBondContact O-N 2.95Å; D299-R302 PolarHBondContact O-N 3.34Å; D299-R302 IonicContact OD1-CZ 3.8Å; D299-R302 IonicContact OD1-NE 2.75Å; D299-R302 PolarHBondContact OD1-NE 3.26Å; D299-R302 IonicContact OD1-NH2 2.74Å; D299-R302 PolarHBondContact OD1-NH2 2.95Å
303	N	97.1	Very high	94.8	Very high	126 Å²	126	82.5 Å²	82.5	67%	0.674	39%	0.386	S	S	*	.	H	α-helix	trans	-79.9	-24.6	-176.5	-68.3	-41.3	0	0	0	112.9	D299	D299-N303 WeakPolarHBondContact O-CB 3.14Å; D299-N303 VanDerWaalsContact O-CG 3.3Å; D299-N303 PolarHBondContact O-N 3.09Å; D299-N303 PolarHBondContact O-ND2 2.73Å
304	M	97	Very high	94.3	Very high	85 Å²	85	83.6 Å²	83.6	42%	0.419	40%	0.397	S	S	.	.	S	Bend	trans	-132.6	77.7	176.8	-175	59.4	71.5	0	0	109.2	Q245 W273 T300 Q301 V306	Q245-M304 PolarHBondContact NE2-O 2.87Å; Q245-M304 PolarHBondContact OE1-O 2.8Å; W273-M304 HydrophobicContact CH2-CE 4.4Å; W273-M304 HydrophobicContact CZ3-CB 4.17Å; T300-M304 PolarHBondContact O-N 3.28Å; Q301-M304 CarbonylContact O-C 3.48Å; M304-V306 HydrophobicContact CG-CG1 3.83Å; M304-V306 PolarHBondContact O-N 2.87Å; M304-V306 HydrophobicContact SD-CG1 4.1Å
305	P	96.4	Very high	93.9	Very high	30 Å²	30	86.7 Å²	86.7	20%	0.195	41%	0.409	C	S	.	.			trans	-78.1	51.1	-170.3	32.3	-36.3	0	0	0	113.2	Q301 Q307 Q308 H309	Q301-P305 WeakPolarHBondContact O-CA 3.37Å; P305-Q307 PolarHBondContact O-N 2.86Å; P305-Q307 VanDerWaalsContact O-N 3.08Å; P305-Q308 HydrophobicContact CB-CB 4.34Å; P305-Q308 HydrophobicContact CB-CG 4.1Å; P305-Q308 WeakPolarHBondContact O-CB 2.82Å; P305-Q308 PolarHBondContact O-N 2.66Å; P305-H309 PolarHBondContact O-N 3.44Å
306	V	95.1	Very high	93.4	Very high	45 Å²	45	89.1 Å²	89.1	27%	0.273	42%	0.416	S	S	.	.	H	α-helix	trans	-56.1	-30.7	-177.2	-72.2	0	0	0	0	112.7	Q245 M304 Q308 H309 R310	Q245-V306 VanDerWaalsContact CD-CG2 3.43Å; Q245-V306 HydrophobicContact CG-CG2 4.01Å; M304-V306 HydrophobicContact CG-CG1 3.83Å; M304-V306 PolarHBondContact O-N 2.87Å; M304-V306 HydrophobicContact SD-CG1 4.1Å; V306-Q308 VanDerWaalsContact C-N 3.29Å; V306-Q308 PolarHBondContact O-N 3.41Å; V306-H309 PolarHBondContact O-N 2.86Å; V306-H309 VanDerWaalsContact O-N 3.12Å; V306-R310 PolarHBondContact O-N 2.72Å
307	Q	91.1	Very high	92.9	Very high	58 Å²	58	92 Å²	92	27%	0.271	43%	0.426	S	S	.	.	H	α-helix	trans	-65.6	-33.1	177.3	-51.8	-49.5	-36.8	0	0	112.3	L211 E243 P305 H309 R310	L211-Q307 VanDerWaalsContact CD2-CD 3.48Å; L211-Q307 HydrophobicContact CD2-CG 4.45Å; L211-Q307 VanDerWaalsContact CD2-OE1 3.26Å; E243-Q307 PolarHBondContact O-NE2 3.43Å; P305-Q307 PolarHBondContact O-N 2.86Å; P305-Q307 VanDerWaalsContact O-N 3.08Å; Q307-H309 VanDerWaalsContact C-N 3.29Å; Q307-R310 PolarHBondContact O-N 2.68Å
308	Q	94	Very high	92.4	Very high	162 Å²	162	96.4 Å²	96.4	76%	0.757	46%	0.457	S	S	*	.	H	α-helix	trans	-75.3	-22.4	175.6	-56.6	177.9	17.6	0	0	111.8	P305 V306	P305-Q308 HydrophobicContact CB-CB 4.34Å; P305-Q308 HydrophobicContact CB-CG 4.1Å; P305-Q308 WeakPolarHBondContact O-CB 2.82Å; P305-Q308 PolarHBondContact O-N 2.66Å; V306-Q308 VanDerWaalsContact C-N 3.29Å; V306-Q308 PolarHBondContact O-N 3.41Å
309	H	95.4	Very high	91.8	Very high	127 Å²	127	98 Å²	98	59%	0.588	47%	0.474	S	S	*	.	H	α-helix	trans	-88	-9.2	178.2	-54.1	160.8	0	0	0	113	P305 V306 Q307 R311	P305-H309 PolarHBondContact O-N 3.44Å; V306-H309 PolarHBondContact O-N 2.86Å; V306-H309 VanDerWaalsContact O-N 3.12Å; Q307-H309 VanDerWaalsContact C-N 3.29Å; H309-R311 PolarHBondContact O-N 2.72Å
310	R	91.3	Very high	90	Very high	103 Å²	103	98.2 Å²	98.2	39%	0.389	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-61.4	130	178	-73	-172.6	179.3	-78.7	-7.4	109.8	L208 E243 V306 Q307	L208-R310 VanDerWaalsContact CD2-CZ 3.47Å; E243-R310 PolarHBondContact O-NH2 2.93Å; V306-R310 PolarHBondContact O-N 2.72Å; Q307-R310 PolarHBondContact O-N 2.68Å
311	R	92.5	Very high	88	Confident	152 Å²	152	100.5 Å²	100.5	57%	0.574	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-78.5	149.1	169.9	-56.9	-65.2	-66.9	-179	0	109.2	H309 F315 Y316	H309-R311 PolarHBondContact O-N 2.72Å; R311-F315 HydrophobicContact CB-CB 3.76Å; R311-F315 HydrophobicContact CB-CD1 3.82Å; R311-F315 HydrophobicContact CB-CG 3.78Å; R311-F315 HydrophobicContact CG-CD1 3.97Å; R311-F315 HydrophobicContact CG-CE1 4.25Å; R311-F315 HydrophobicContact CG-CG 4.1Å; R311-Y316 HydrophobicContact CB-CE2 4.37Å
312	D	86.8	Confident	86	Confident	102 Å²	102	107.9 Å²	107.9	55%	0.545	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-54.1	148.8	170.3	-175.4	-95.2	0	0	0	111.1	S314 F315	D312-S314 PolarHBondContact O-N 2.93Å; D312-S314 VanDerWaalsContact O-N 3.16Å; D312-S314 WeakPolarHBondContact OD1-CB 3.49Å; D312-S314 PolarHBondContact OD1-N 3.42Å; D312-S314 PolarHBondContact OD1-OG 3.19Å; D312-F315 WeakPolarHBondContact O-CB 3.49Å; D312-F315 PolarHBondContact O-N 3.26Å
313	T	82.9	Confident	83.9	Confident	83 Å²	83	112.5 Å²	112.5	51%	0.509	58%	0.577	S	S	.	*	H	α-helix	trans	-57.5	-32	-178.9	42.6	0	0	0	0	112.4	F315 Y316	T313-F315 PolarHBondContact O-N 2.85Å; T313-Y316 PolarHBondContact O-N 3.1Å; T313-Y316 VanDerWaalsContact O-N 3.08Å
314	S	86.6	Confident	83.2	Confident	68 Å²	68	111.9 Å²	111.9	48%	0.476	57%	0.572	S	S	.	*	H	α-helix	trans	-59.4	-26.4	175.4	64.2	0	0	0	0	113.9	D312 Y316 Y317	D312-S314 PolarHBondContact O-N 2.93Å; D312-S314 VanDerWaalsContact O-N 3.16Å; D312-S314 WeakPolarHBondContact OD1-CB 3.49Å; D312-S314 PolarHBondContact OD1-N 3.42Å; D312-S314 PolarHBondContact OD1-OG 3.19Å; S314-Y316 PolarHBondContact O-N 3.23Å; S314-Y317 WeakPolarHBondContact O-CB 3.39Å; S314-Y317 PolarHBondContact O-N 3.44Å
315	F	89.6	Confident	82.5	Confident	99 Å²	99	113.3 Å²	113.3	43%	0.434	58%	0.58	S	S	.	*	H	α-helix	trans	-58.7	-38.4	175.5	178.9	-99.3	0	0	0	111.6	R311 D312 T313 Y317 S318	R311-F315 HydrophobicContact CB-CB 3.76Å; R311-F315 HydrophobicContact CB-CD1 3.82Å; R311-F315 HydrophobicContact CB-CG 3.78Å; R311-F315 HydrophobicContact CG-CD1 3.97Å; R311-F315 HydrophobicContact CG-CE1 4.25Å; R311-F315 HydrophobicContact CG-CG 4.1Å; D312-F315 WeakPolarHBondContact O-CB 3.49Å; D312-F315 PolarHBondContact O-N 3.26Å; T313-F315 PolarHBondContact O-N 2.85Å; F315-Y317 VanDerWaalsContact C-N 3.33Å; F315-S318 WeakPolarHBondContact O-CB 3.35Å; F315-S318 PolarHBondContact O-N 3.04Å; F315-S318 PolarHBondContact O-OG 2.96Å
316	Y	87.2	Confident	81.7	Confident	128 Å²	128	117.9 Å²	117.9	50%	0.502	60%	0.602	S	S	.	*	H	α-helix	trans	-78.4	-16.7	-178	-58.1	-79.7	0	0	0	113	R311 T313 S314 S318 L319	R311-Y316 HydrophobicContact CB-CE2 4.37Å; T313-Y316 PolarHBondContact O-N 3.1Å; T313-Y316 VanDerWaalsContact O-N 3.08Å; S314-Y316 PolarHBondContact O-N 3.23Å; Y316-S318 PolarHBondContact O-N 3.32Å; Y316-L319 PolarHBondContact O-N 3.28Å
317	Y	85.6	Confident	80.9	Confident	143 Å²	143	122.2 Å²	122.2	56%	0.561	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-69.3	-11.3	173.5	-57.7	-23.4	0	0	0	113.4	S314 F315 L319 G320	S314-Y317 WeakPolarHBondContact O-CB 3.39Å; S314-Y317 PolarHBondContact O-N 3.44Å; F315-Y317 VanDerWaalsContact C-N 3.33Å; Y317-L319 PolarHBondContact O-N 2.94Å; Y317-G320 PolarHBondContact O-N 2.88Å; Y317-G320 VanDerWaalsContact O-N 3.09Å
318	S	86.1	Confident	80.3	Confident	95 Å²	95	126.2 Å²	126.2	66%	0.664	64%	0.643	S	S	*	*	G	3₁₀ helix	trans	-61.7	-17.7	171.3	62.5	0	0	0	0	113.8	F315 Y316 G320	F315-S318 WeakPolarHBondContact O-CB 3.35Å; F315-S318 PolarHBondContact O-N 3.04Å; F315-S318 PolarHBondContact O-OG 2.96Å; Y316-S318 PolarHBondContact O-N 3.32Å; S318-G320 VanDerWaalsContact C-N 3.27Å; S318-G320 PolarHBondContact O-N 3.07Å
319	L	83.8	Confident	79.4	Confident	161 Å²	161	123.8 Å²	123.8	84%	0.843	64%	0.635	S	S	*	*	G	3₁₀ helix	trans	-80	-4.3	175	-65.2	174.9	0	0	0	113.8	Y316 Y317	Y316-L319 PolarHBondContact O-N 3.28Å; Y317-L319 PolarHBondContact O-N 2.94Å
320	G	59.4	Low	78.2	Confident	66 Å²	66	123.6 Å²	123.6	68%	0.68	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	130.3	93.3	167	0	0	0	0	0	115	Y317 S318	Y317-G320 PolarHBondContact O-N 2.88Å; Y317-G320 VanDerWaalsContact O-N 3.09Å; S318-G320 VanDerWaalsContact C-N 3.27Å; S318-G320 PolarHBondContact O-N 3.07Å
321	G	57.1	Low	77.2	Confident	63 Å²	63	125.2 Å²	125.2	65%	0.649	66%	0.658	S	S	*	*				79	101.5	129.1	0	0	0	0	0	119.7
322	K	53.4	Low	75.9	Confident	213 Å²	213	122.9 Å²	122.9	93%	0.926	67%	0.665	S	S	*	*			trans	74	136.6	159.7	-67.3	-171.7	177.6	-176.9	0	118.3
323	E	52.8	Low	75	Confident	254 Å²	254	124.8 Å²	124.8	100%	1.187	68%	0.676	S	S	*	*			trans	-43.8	0	-179	-64.4	170	154.7	0	0	115.6

Retrieved 323 of 323 residues in 395.9 ms (Link to these results)

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