A0A3B3VQ07_9TELE Loading...

Cathepsin Z

Exhibits carboxy-monopeptidase as well as carboxy-dipeptidase activity. Capable of producing kinin potentiating peptides.

AlphaFold DB , UniProt , Accession A0A3B3VQ07, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 303 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	40.6	Very low	39.5	Very low	252 Å²	252	146.5 Å²	146.5	100%	1.241	85%	0.853	S	S	*	*				0	102.1	0	-71.4	178.4	-156.3	0	0	108.1
2	A	34.5	Very low	39.4	Very low	101 Å²	101	143 Å²	143	84%	0.835	84%	0.843	S	S	*	*			trans	-141.6	111	169.6	0	0	0	0	0	105.9
3	R	38.7	Very low	39.5	Very low	254 Å²	254	140.4 Å²	140.4	96%	0.958	83%	0.829	S	S	*	*			trans	-97.3	112.7	177.2	-76.8	-176.2	173.7	-175.1	-1.9	107.7	A5	R3-A5 PolarHBondContact O-N 3.15Å
4	T	39.4	Very low	39.7	Very low	146 Å²	146	139.1 Å²	139.1	90%	0.896	82%	0.823	S	S	*	*			trans	-70.1	116	166.2	18.4	0	0	0	0	108.8
5	A	40.7	Very low	39.4	Very low	95 Å²	95	139.5 Å²	139.5	79%	0.785	82%	0.818	S	S	*	*			trans	-90.8	111.2	169.9	0	0	0	0	0	108.4	R3	R3-A5 PolarHBondContact O-N 3.15Å
6	A	40.9	Very low	39.3	Very low	97 Å²	97	136.7 Å²	136.7	80%	0.802	81%	0.809	S	S	*	*			trans	-77.2	119.9	170.1	0	0	0	0	0	108.9	C8	A6-C8 PolarHBondContact O-N 3.16Å
7	V	41.8	Very low	39.1	Very low	129 Å²	129	136.1 Å²	136.1	78%	0.782	81%	0.807	S	S	*	*			trans	-86	105.2	172.8	176.7	0	0	0	0	107.7	V9	V7-V9 HydrophobicContact CG1-CG2 4.36Å; V7-V9 PolarHBondContact O-N 2.98Å
8	C	36.4	Very low	39.1	Very low	115 Å²	115	135.7 Å²	135.7	78%	0.777	81%	0.806	S	S	*	*			trans	-74.5	108.4	167.7	-85.8	0	0	0	0	109.2	A6 L10	A6-C8 PolarHBondContact O-N 3.16Å; C8-L10 PolarHBondContact O-N 3.31Å
9	V	41.3	Very low	39.2	Very low	116 Å²	116	134.2 Å²	134.2	70%	0.703	80%	0.802	S	S	*	*			trans	-81.1	103	167.7	-179.6	0	0	0	0	107.7	V7 L11	V7-V9 HydrophobicContact CG1-CG2 4.36Å; V7-V9 PolarHBondContact O-N 2.98Å; V9-L11 HydrophobicContact CG1-CD1 4.25Å; V9-L11 PolarHBondContact O-N 3.14Å
10	L	39.8	Very low	39.5	Very low	159 Å²	159	131.7 Å²	131.7	83%	0.832	80%	0.797	S	S	*	*			trans	-73.2	104.1	167.9	-91.6	130.8	0	0	0	108.5	C8 S12	C8-L10 PolarHBondContact O-N 3.31Å; L10-S12 PolarHBondContact O-N 2.87Å; L10-S12 VanDerWaalsContact O-N 3.12Å
11	L	40.1	Very low	40.2	Very low	147 Å²	147	127.5 Å²	127.5	77%	0.77	78%	0.78	S	S	*	*			trans	-71.2	97.3	163.1	-105.7	91.4	0	0	0	108.3	V9 V13	V9-L11 HydrophobicContact CG1-CD1 4.25Å; V9-L11 PolarHBondContact O-N 3.14Å; L11-V13 PolarHBondContact O-N 3.29Å; L11-V13 VanDerWaalsContact O-N 3.13Å
12	S	38.5	Very low	41.1	Very low	105 Å²	105	120.1 Å²	120.1	73%	0.734	75%	0.75	S	S	*	*			trans	-73.9	93.4	164.8	26.3	0	0	0	0	108.9	L10 V14	L10-S12 PolarHBondContact O-N 2.87Å; L10-S12 VanDerWaalsContact O-N 3.12Å; S12-V14 PolarHBondContact O-N 2.87Å
13	V	40.4	Very low	42.6	Very low	109 Å²	109	118.8 Å²	118.8	66%	0.661	73%	0.725	S	S	*	*			trans	-69.9	97	165.2	179.4	0	0	0	0	107.1	L11 L15	L11-V13 PolarHBondContact O-N 3.29Å; L11-V13 VanDerWaalsContact O-N 3.13Å; V13-L15 VanDerWaalsContact C-N 3.32Å; V13-L15 HydrophobicContact CG1-CD1 4.31Å; V13-L15 HydrophobicContact CG1-CG 4.43Å; V13-L15 PolarHBondContact O-N 3.29Å
14	V	42.3	Very low	44	Very low	123 Å²	123	107.7 Å²	107.7	75%	0.745	68%	0.684	S	S	*	*			trans	-71.1	96.3	166	-175.5	0	0	0	0	106.1	S12 S16	S12-V14 PolarHBondContact O-N 2.87Å; V14-S16 PolarHBondContact O-N 3.09Å
15	L	36.4	Very low	45.5	Very low	144 Å²	144	103.2 Å²	103.2	75%	0.754	65%	0.654	S	S	*	*			trans	-64.4	93.8	162.5	-88.7	120.5	0	0	0	107	V13 T17	V13-L15 VanDerWaalsContact C-N 3.32Å; V13-L15 HydrophobicContact CG1-CD1 4.31Å; V13-L15 HydrophobicContact CG1-CG 4.43Å; V13-L15 PolarHBondContact O-N 3.29Å; L15-T17 VanDerWaalsContact C-N 3.27Å; L15-T17 PolarHBondContact O-N 3.27Å
16	S	37.4	Very low	46.6	Very low	95 Å²	95	104.9 Å²	104.9	66%	0.664	65%	0.646	S	S	*	*			trans	-64.3	96.5	160.8	51.9	0	0	0	0	106.9	V14 V18	V14-S16 PolarHBondContact O-N 3.09Å; S16-V18 PolarHBondContact O-N 3.11Å
17	T	36.4	Very low	48.1	Very low	127 Å²	127	107.2 Å²	107.2	78%	0.779	65%	0.645	S	S	*	*			trans	-61.6	95.1	161.2	49.8	0	0	0	0	106.5	L15 S19	L15-T17 VanDerWaalsContact C-N 3.27Å; L15-T17 PolarHBondContact O-N 3.27Å; T17-S19 PolarHBondContact O-N 2.7Å
18	V	38.8	Very low	49.9	Very low	129 Å²	129	105.2 Å²	105.2	78%	0.782	63%	0.627	S	S	*	*			trans	-68	90.4	162.2	-178.7	0	0	0	0	104.3	S16 A20	S16-V18 PolarHBondContact O-N 3.11Å; V18-A20 PolarHBondContact O-N 2.66Å; V18-A20 VanDerWaalsContact O-N 3.08Å
19	S	40.1	Very low	52.3	Low	106 Å²	106	101.9 Å²	101.9	74%	0.741	60%	0.604	S	S	*	*			trans	-61.6	114.6	166	-165.9	0	0	0	0	104.9	T17 G21	T17-S19 PolarHBondContact O-N 2.7Å; S19-G21 PolarHBondContact O-N 2.89Å
20	A	44.8	Very low	54.6	Low	85 Å²	85	96.7 Å²	96.7	70%	0.702	57%	0.573	S	S	*	*			trans	-59.3	96.3	166.3	0	0	0	0	0	105.8	V18 V22	V18-A20 PolarHBondContact O-N 2.66Å; V18-A20 VanDerWaalsContact O-N 3.08Å; A20-V22 PolarHBondContact O-N 2.74Å
21	G	53.9	Low	57.3	Low	43 Å²	43	89.7 Å²	89.7	44%	0.443	54%	0.535	S	S	.	.			trans	-64.1	125.6	172.3	0	0	0	0	0	106.4	S19 F23	S19-G21 PolarHBondContact O-N 2.89Å; G21-F23 PolarHBondContact O-N 2.91Å
22	V	59.6	Low	59.8	Low	98 Å²	98	85.8 Å²	85.8	59%	0.594	52%	0.517	S	S	*	.			trans	-59.6	121.5	171.3	-170.4	0	0	0	0	106.4	A20 F24	A20-V22 PolarHBondContact O-N 2.74Å; V22-F24 HydrophobicContact CG1-CD1 3.79Å; V22-F24 HydrophobicContact CG1-CE1 4.05Å; V22-F24 WeakPolarHBondContact CG1-O 3.3Å; V22-F24 PolarHBondContact O-N 3.34Å
23	F	66.4	Low	62.3	Low	72 Å²	72	88.5 Å²	88.5	32%	0.316	51%	0.511	S	S	.	.	S	Bend	trans	-75	-10.6	-177.7	-62.8	-77.6	0	0	0	111.7	G21 H79 D218 W258	G21-F23 PolarHBondContact O-N 2.91Å; F23-H79 AromaticContact CD1-ND1 3.75Å; F23-H79 PolarHBondContact O-CE1 2.95Å; F23-H79 PolarHBondContact O-ND1 3.31Å; F23-H79 PolarHBondContact O-NE2 3.12Å; F23-D218 WeakPolarHBondContact CA-OD1 3.42Å; F23-D218 WeakPolarHBondContact CB-OD1 3.48Å; F23-D218 WeakPolarHBondContact CD2-OD1 3.39Å; F23-D218 PolarHBondContact N-OD1 3.41Å; F23-W258 HydrophobicContact CB-CD2 3.89Å; F23-W258 HydrophobicContact CB-CE3 3.91Å; F23-W258 HydrophobicContact CB-CG 4.28Å; F23-W258 HydrophobicContact CB-CZ3 4.39Å; F23-W258 HydrophobicContact CD2-CE3 4.49Å; F23-W258 HydrophobicContact CG-CE3 4.37Å
24	F	68.9	Low	64.5	Low	22 Å²	22	86.9 Å²	86.9	10%	0.096	50%	0.502	C	S	.	.	S	Bend	trans	-128.7	144.4	177.2	88.6	-76.7	0	0	0	113.1	V22 Q26 A213 T214 P215 D218 W258	V22-F24 HydrophobicContact CG1-CD1 3.79Å; V22-F24 HydrophobicContact CG1-CE1 4.05Å; V22-F24 WeakPolarHBondContact CG1-O 3.3Å; V22-F24 PolarHBondContact O-N 3.34Å; F24-Q26 HydrophobicContact CD2-CG 4.19Å; F24-Q26 HydrophobicContact CE2-CB 4.35Å; F24-Q26 HydrophobicContact CE2-CG 3.27Å; F24-Q26 HydrophobicContact CZ-CG 3.58Å; F24-A213 HydrophobicContact CD2-CB 4.22Å; F24-A213 WeakPolarHBondContact CE2-O 3.23Å; F24-A213 HydrophobicContact CG-CB 4.23Å; F24-T214 VanDerWaalsContact CE1-C 3.47Å; F24-P215 HydrophobicContact CE1-CG 4.4Å; F24-P215 HydrophobicContact CZ-CG 4.34Å; F24-D218 HydrophobicContact CD1-CB 4.27Å; F24-D218 HydrophobicContact CE1-CB 4.37Å; F24-W258 HydrophobicContact CB-CZ2 4.34Å
25	N	70.4	Confident	66.6	Low	51 Å²	51	86.8 Å²	86.8	27%	0.273	50%	0.504	S	S	.	.			trans	-97.5	115.9	173.3	-173.1	-6.9	0	0	0	109.8	N27 E28	N25-N27 PolarHBondContact O-N 3.1Å; N25-N27 PolarHBondContact OD1-N 3.14Å; N25-E28 HydrophobicContact CB-CB 4.28Å; N25-E28 PolarHBondContact ND2-OE2 2.98Å; N25-E28 VanDerWaalsContact ND2-OE2 3.15Å; N25-E28 CarbonylContact O-C 3.44Å; N25-E28 PolarHBondContact O-N 3.35Å; N25-E28 VanDerWaalsContact O-O 3.1Å
26	Q	64.3	Low	69	Low	130 Å²	130	82.9 Å²	82.9	61%	0.607	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-27.8	177.4	-77	-176.4	6.4	0	0	113.4	F24	F24-Q26 HydrophobicContact CD2-CG 4.19Å; F24-Q26 HydrophobicContact CE2-CB 4.35Å; F24-Q26 HydrophobicContact CE2-CG 3.27Å; F24-Q26 HydrophobicContact CZ-CG 3.58Å
27	N	71.5	Confident	71.1	Confident	147 Å²	147	84.2 Å²	84.2	79%	0.786	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-18.7	-177.6	-61.2	-36.9	0	0	0	112.6	N25	N25-N27 PolarHBondContact O-N 3.1Å; N25-N27 PolarHBondContact OD1-N 3.14Å
28	E	80.1	Confident	73.2	Confident	86 Å²	86	86.9 Å²	86.9	40%	0.402	48%	0.483	S	S	.	.	S	Bend	trans	-131.5	79.5	-179.6	-66.6	176.4	165.5	0	0	108	N25 Y83	N25-E28 HydrophobicContact CB-CB 4.28Å; N25-E28 PolarHBondContact ND2-OE2 2.98Å; N25-E28 VanDerWaalsContact ND2-OE2 3.15Å; N25-E28 CarbonylContact O-C 3.44Å; N25-E28 PolarHBondContact O-N 3.35Å; N25-E28 VanDerWaalsContact O-O 3.1Å; E28-Y83 PolarHBondContact O-OH 2.78Å
29	P	86.2	Confident	75.3	Confident	45 Å²	45	86.8 Å²	86.8	29%	0.292	48%	0.478	S	S	.	.			trans	-63.4	142.4	-174.6	28.9	-35.6	0	0	0	109.8	Y31 V32 N235	P29-Y31 VanDerWaalsContact C-N 3.31Å; P29-Y31 PolarHBondContact O-N 3.47Å; P29-V32 HydrophobicContact CG-CG2 4.23Å; P29-N235 HydrophobicContact CB-CB 3.82Å
30	C	91.2	Very high	77.7	Confident	7 Å²	7	83.8 Å²	83.8	5%	0.047	45%	0.451	C	S	.	.	S	Bend	trans	-70.5	-31.8	-179.7	-176.5	0	0	0	0	112.2	Q78 C87 G129 G130 N235	C30-Q78 PolarHBondContact SG-NE2 3.1Å; C30-Q78 VanDerWaalsContact SG-NE2 3.39Å; C30-C87 HydrophobicContact CB-CB 4.2Å; C30-C87 WeakPolarHBondContact CB-SG 3.47Å; C30-C87 VanDerWaalsContact SG-CA 3.53Å; C30-C87 WeakPolarHBondContact SG-CB 3.15Å; C30-C87 PolarHBondContact SG-N 3.07Å; C30-C87 CovalentContact SG-SG 2.01Å; C30-C87 PolarHBondContact SG-SG 2.97Å; C30-G129 VanDerWaalsContact O-CA 3.26Å; C30-G129 WeakPolarHBondContact O-CA 3.46Å; C30-G130 PolarHBondContact O-N 2.93Å; C30-N235 PolarHBondContact N-O 2.62Å
31	Y	95.4	Very high	80.1	Confident	13 Å²	13	80.8 Å²	80.8	5%	0.051	43%	0.428	C	S	.	.	B	Isolated β-bridge	trans	-95.9	125.2	168.8	174.1	-110.9	0	0	0	110.5	P29 R33 G130 D131 I234 N235 I237 D290	P29-Y31 VanDerWaalsContact C-N 3.31Å; P29-Y31 PolarHBondContact O-N 3.47Å; Y31-R33 HydrophobicContact CE1-CB 3.72Å; Y31-R33 HydrophobicContact CE1-CG 4.4Å; Y31-R33 WeakPolarHBondContact OH-CD 3.49Å; Y31-R33 WeakPolarHBondContact OH-CG 3.39Å; Y31-G130 WeakPolarHBondContact CD2-O 3.1Å; Y31-D131 HydrophobicContact CE2-CB 4.44Å; Y31-I234 HydrophobicContact CD1-CB 4.2Å; Y31-I234 HydrophobicContact CD1-CG2 3.49Å; Y31-I234 VanDerWaalsContact CD1-CG2 3.49Å; Y31-I234 HydrophobicContact CE1-CB 4.25Å; Y31-I234 HydrophobicContact CE1-CG2 3.75Å; Y31-I234 HydrophobicContact CG-CG2 4.1Å; Y31-N235 PolarHBondContact N-O 2.91Å; Y31-I237 HydrophobicContact CD2-CD1 3.4Å; Y31-I237 HydrophobicContact CD2-CG1 3.73Å; Y31-I237 HydrophobicContact CE2-CD1 3.84Å; Y31-I237 HydrophobicContact CG-CD1 3.87Å; Y31-I237 HydrophobicContact CG-CG1 4.23Å; Y31-D290 PolarHBondContact OH-OD2 3.05Å
32	V	93.7	Very high	82.2	Confident	65 Å²	65	82 Å²	82	39%	0.394	42%	0.424	S	S	.	.			trans	-124.7	104.5	171.7	176.6	0	0	0	0	107.1	P29 T34 G130	P29-V32 HydrophobicContact CG-CG2 4.23Å; V32-T34 PolarHBondContact O-N 3.49Å; V32-G130 PolarHBondContact N-O 3.08Å; V32-G130 CarbonylContact O-C 3.34Å
33	R	90.3	Very high	83.9	Confident	161 Å²	161	83.7 Å²	83.7	61%	0.608	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-63.9	127.1	-176.3	-171.9	169.5	-174.8	-175.9	4.5	111	Y31 D131	Y31-R33 HydrophobicContact CE1-CB 3.72Å; Y31-R33 HydrophobicContact CE1-CG 4.4Å; Y31-R33 WeakPolarHBondContact OH-CD 3.49Å; Y31-R33 WeakPolarHBondContact OH-CG 3.39Å; R33-D131 WeakPolarHBondContact CA-OD2 3.31Å
34	T	86.8	Confident	85.3	Confident	75 Å²	75	85.9 Å²	85.9	46%	0.46	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-97.5	138.4	171.1	-58.9	0	0	0	0	109.3	V32 R36 D131	V32-T34 PolarHBondContact O-N 3.49Å; T34-R36 PolarHBondContact O-N 2.68Å; T34-R36 VanDerWaalsContact O-N 3.09Å; T34-D131 PolarHBondContact N-OD2 2.77Å
35	P	85.5	Confident	86.6	Confident	121 Å²	121	86.1 Å²	86.1	79%	0.786	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-55.8	119	174.5	-25.2	34.6	0	0	0	110.8
36	R	86.2	Confident	87.8	Confident	63 Å²	63	87.2 Å²	87.2	24%	0.238	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-73.2	136.6	177.2	-65.4	176.1	-168.7	149.5	9.1	109.3	T34 F40 D290 M292	T34-R36 PolarHBondContact O-N 2.68Å; T34-R36 VanDerWaalsContact O-N 3.09Å; R36-F40 HydrophobicContact CB-CB 4.05Å; R36-F40 HydrophobicContact CB-CG 4.26Å; R36-F40 HydrophobicContact CG-CG 4.37Å; R36-D290 IonicContact CZ-OD1 2.99Å; R36-D290 IonicContact CZ-OD2 3.49Å; R36-D290 IonicContact NH1-OD1 3.32Å; R36-D290 PolarHBondContact NH1-OD1 2.66Å; R36-D290 IonicContact NH2-OD1 3.63Å; R36-D290 PolarHBondContact NH2-OD1 2.73Å; R36-D290 IonicContact NH2-OD2 2.69Å; R36-D290 PolarHBondContact NH2-OD2 3.06Å; R36-M292 VanDerWaalsContact NH1-CE 3.25Å
37	K	83.4	Confident	89.4	Confident	122 Å²	122	81.1 Å²	81.1	53%	0.53	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-60.2	149.7	171.1	-59.5	170.3	-169.5	153.9	0	109.3	N39 F40 E137	K37-N39 WeakPolarHBondContact CB-OD1 3.26Å; K37-N39 PolarHBondContact O-N 2.67Å; K37-F40 VanDerWaalsContact O-CB 3.26Å; K37-F40 WeakPolarHBondContact O-CB 3.19Å; K37-F40 PolarHBondContact O-N 3.42Å; K37-E137 IonicContact NZ-OE1 2.75Å; K37-E137 PolarHBondContact NZ-OE1 3.15Å; K37-E137 IonicContact NZ-OE2 2.82Å
38	N	78.8	Confident	90.6	Very high	184 Å²	184	74.1 Å²	74.1	98%	0.984	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-24.9	178.5	-72.1	-15.2	0	0	0	113.4
39	N	83.5	Confident	91.3	Very high	127 Å²	127	72.9 Å²	72.9	68%	0.679	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	28.7	176.4	66.2	-27.9	0	0	0	112.6	K37 G41	K37-N39 WeakPolarHBondContact CB-OD1 3.26Å; K37-N39 PolarHBondContact O-N 2.67Å; N39-G41 PolarHBondContact O-N 2.81Å
40	F	91.4	Very high	91.8	Very high	42 Å²	42	75 Å²	75	18%	0.184	39%	0.392	C	S	.	.			trans	-60	136.8	176.5	172.1	-97.2	0	0	0	111.4	R36 K37 S133 Y188 M292	R36-F40 HydrophobicContact CB-CB 4.05Å; R36-F40 HydrophobicContact CB-CG 4.26Å; R36-F40 HydrophobicContact CG-CG 4.37Å; K37-F40 VanDerWaalsContact O-CB 3.26Å; K37-F40 WeakPolarHBondContact O-CB 3.19Å; K37-F40 PolarHBondContact O-N 3.42Å; F40-S133 VanDerWaalsContact CZ-CB 3.45Å; F40-Y188 HydrophobicContact CD2-CE2 4.37Å; F40-Y188 HydrophobicContact CE2-CD2 4.35Å; F40-Y188 AromaticContact CE2-CE2 3.76Å; F40-Y188 HydrophobicContact CE2-CE2 3.76Å; F40-Y188 HydrophobicContact CZ-CD2 4.12Å; F40-Y188 AromaticContact CZ-CE2 3.97Å; F40-Y188 HydrophobicContact CZ-CE2 3.97Å; F40-M292 HydrophobicContact CE1-CE 4.05Å; F40-M292 HydrophobicContact CE1-SD 3.61Å; F40-M292 HydrophobicContact CZ-CE 4.4Å; F40-M292 HydrophobicContact CZ-SD 3.78Å
41	G	94.4	Very high	92.1	Very high	22 Å²	22	80.3 Å²	80.3	23%	0.227	41%	0.412	C	S	.	.	S	Bend	trans	94	161.3	-180	0	0	0	0	0	113.1	N39 Y188	N39-G41 PolarHBondContact O-N 2.81Å; G41-Y188 CarbonylContact C-O 3.48Å; G41-Y188 WeakPolarHBondContact CA-O 3.36Å
42	L	97.2	Very high	92.1	Very high	68 Å²	68	82.2 Å²	82.2	36%	0.356	42%	0.422	S	S	.	.	B	Isolated β-bridge	trans	-123.8	129.5	170.3	178.3	63.2	0	0	0	108	T44 D187 Y188	L42-T44 HydrophobicContact CD1-CG2 4.24Å; L42-T44 HydrophobicContact CG-CG2 4.32Å; L42-D187 CarbonylContact O-C 3.57Å; L42-D187 WeakPolarHBondContact O-CA 3.46Å; L42-D187 WeakPolarHBondContact O-CB 3.31Å; L42-Y188 HydrophobicContact CB-CD1 3.75Å; L42-Y188 HydrophobicContact CB-CE1 3.63Å; L42-Y188 PolarHBondContact N-O 2.82Å; L42-Y188 PolarHBondContact O-N 3.43Å; L42-Y188 VanDerWaalsContact O-O 3.09Å
43	R	95.8	Very high	92.2	Very high	135 Å²	135	83.1 Å²	83.1	51%	0.509	43%	0.425	S	S	.	.			trans	-138.9	108.2	179.3	-176.1	-179.9	162.1	174.7	-9.4	110	G45 E50 D187	R43-G45 VanDerWaalsContact CG-O 3.32Å; R43-G45 WeakPolarHBondContact CG-O 3.35Å; R43-G45 PolarHBondContact NE-O 3.28Å; R43-E50 IonicContact CZ-OE1 2.74Å; R43-E50 IonicContact CZ-OE2 2.95Å; R43-E50 IonicContact NH1-OE1 2.82Å; R43-E50 PolarHBondContact NH1-OE1 3.33Å; R43-E50 IonicContact NH1-OE2 3.01Å; R43-E50 IonicContact NH2-OE1 3.16Å; R43-E50 PolarHBondContact NH2-OE1 3.46Å; R43-E50 IonicContact NH2-OE2 3.87Å; R43-E50 PolarHBondContact NH2-OE2 3.28Å; R43-D187 WeakPolarHBondContact CA-OD2 3.42Å
44	T	96.4	Very high	92.4	Very high	118 Å²	118	77.3 Å²	77.3	72%	0.724	41%	0.406	S	S	*	.	S	Bend	trans	-103.1	-12.2	179.2	61.3	0	0	0	0	112.9	L42 D187	L42-T44 HydrophobicContact CD1-CG2 4.24Å; L42-T44 HydrophobicContact CG-CG2 4.32Å; T44-D187 WeakPolarHBondContact CB-OD1 3.27Å; T44-D187 WeakPolarHBondContact CG2-OD1 3.36Å; T44-D187 PolarHBondContact N-OD1 3.42Å; T44-D187 PolarHBondContact N-OD2 2.85Å; T44-D187 VanDerWaalsContact OG1-CG 3.31Å; T44-D187 PolarHBondContact OG1-OD1 2.74Å; T44-D187 PolarHBondContact OG1-OD2 2.87Å
45	G	95.3	Very high	92.7	Very high	26 Å²	26	78.3 Å²	78.3	27%	0.268	42%	0.416	S	S	.	.	S	Bend	trans	-144.8	-179.2	178.4	0	0	0	0	0	115.4	R43 D187	R43-G45 VanDerWaalsContact CG-O 3.32Å; R43-G45 WeakPolarHBondContact CG-O 3.35Å; R43-G45 PolarHBondContact NE-O 3.28Å; G45-D187 PolarHBondContact N-OD2 2.86Å
46	P	97	Very high	93.2	Very high	74 Å²	74	78.5 Å²	78.5	48%	0.481	41%	0.41	S	S	.	.			trans	-69.1	145.1	173.5	30	-34.6	0	0	0	111.4	Y51	P46-Y51 HydrophobicContact CB-CD1 4.17Å; P46-Y51 HydrophobicContact CG-CD1 4.37Å
47	R	96.6	Very high	93.8	Very high	2 Å²	2	76.1 Å²	76.1	1%	0.008	40%	0.402	C	S	.	.			trans	-90.2	156.1	175.7	-65.2	-47.5	-59.4	-179.8	-5.1	111.7	H49 E50 Y51 E200 Y293 D295	R47-H49 WeakPolarHBondContact CB-CE1 3.45Å; R47-H49 PolarHBondContact O-N 2.89Å; R47-H49 VanDerWaalsContact O-N 3.09Å; R47-E50 WeakPolarHBondContact O-CB 3.31Å; R47-E50 PolarHBondContact O-N 3.03Å; R47-Y51 WeakPolarHBondContact O-CD1 3.24Å; R47-Y51 VanDerWaalsContact O-CE1 3.26Å; R47-Y51 WeakPolarHBondContact O-CE1 3.4Å; R47-E200 IonicContact CZ-OE1 2.74Å; R47-E200 IonicContact CZ-OE2 3.66Å; R47-E200 IonicContact NE-OE2 2.77Å; R47-E200 PolarHBondContact NE-OE2 3.43Å; R47-E200 IonicContact NH2-OE1 2.67Å; R47-E200 PolarHBondContact NH2-OE1 3.42Å; R47-E200 IonicContact NH2-OE2 3.19Å; R47-E200 PolarHBondContact NH2-OE2 2.66Å; R47-Y293 VanDerWaalsContact CD-OH 3.31Å; R47-Y293 WeakPolarHBondContact CD-OH 3.38Å; R47-Y293 PolarHBondContact NE-OH 3.3Å; R47-Y293 VanDerWaalsContact NH2-CE2 3.26Å; R47-D295 IonicContact CZ-OD1 2.97Å; R47-D295 IonicContact CZ-OD2 2.7Å; R47-D295 IonicContact NH1-OD1 2.68Å; R47-D295 PolarHBondContact NH1-OD1 3Å; R47-D295 IonicContact NH1-OD2 3.84Å; R47-D295 PolarHBondContact NH1-OD2 3.04Å; R47-D295 IonicContact NH2-OD1 3.15Å; R47-D295 PolarHBondContact NH2-OD1 2.05Å; R47-D295 IonicContact NH2-OD2 2.77Å
48	P	97.1	Very high	94.5	Very high	0 Å²	0	72.2 Å²	72.2	0%	0	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-47.6	-40.4	-177.3	-31.6	38.1	0	0	0	115.7	E50 Y51 L52 A199 E200 A203 R204	P48-E50 PolarHBondContact O-N 3.38Å; P48-E50 VanDerWaalsContact O-N 3.11Å; P48-Y51 VanDerWaalsContact CA-CE1 3.46Å; P48-Y51 VanDerWaalsContact CA-CZ 3.45Å; P48-Y51 PolarHBondContact O-N 3.12Å; P48-L52 HydrophobicContact CB-CD1 3.97Å; P48-L52 VanDerWaalsContact O-CB 3.27Å; P48-L52 WeakPolarHBondContact O-CB 3.36Å; P48-L52 WeakPolarHBondContact O-CG 3.26Å; P48-L52 PolarHBondContact O-N 3.06Å; P48-A199 HydrophobicContact CB-CB 4.06Å; P48-A199 VanDerWaalsContact CB-O 3.24Å; P48-A199 WeakPolarHBondContact CB-O 3.38Å; P48-E200 VanDerWaalsContact CD-OE2 3.28Å; P48-E200 WeakPolarHBondContact CD-OE2 3.26Å; P48-A203 HydrophobicContact CB-CB 3.7Å; P48-A203 HydrophobicContact CG-CB 3.58Å; P48-R204 HydrophobicContact CG-CG 4.12Å
49	H	95.1	Very high	95.4	Very high	60 Å²	60	70.8 Å²	70.8	28%	0.278	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-68.2	-7.1	179.6	63.1	-91.9	0	0	0	114.9	R47 K196 A199	R47-H49 WeakPolarHBondContact CB-CE1 3.45Å; R47-H49 PolarHBondContact O-N 2.89Å; R47-H49 VanDerWaalsContact O-N 3.09Å; H49-K196 HydrophobicContact CB-CB 4.16Å; H49-K196 HydrophobicContact CB-CG 3.96Å; H49-A199 HydrophobicContact CB-CB 3.96Å
50	E	97	Very high	96.1	Very high	89 Å²	89	68.7 Å²	68.7	42%	0.416	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-98.1	-14.2	179.1	-61.4	170.3	-147.2	0	0	113	R43 R47 P48	R43-E50 IonicContact CZ-OE1 2.74Å; R43-E50 IonicContact CZ-OE2 2.95Å; R43-E50 IonicContact NH1-OE1 2.82Å; R43-E50 PolarHBondContact NH1-OE1 3.33Å; R43-E50 IonicContact NH1-OE2 3.01Å; R43-E50 IonicContact NH2-OE1 3.16Å; R43-E50 PolarHBondContact NH2-OE1 3.46Å; R43-E50 IonicContact NH2-OE2 3.87Å; R43-E50 PolarHBondContact NH2-OE2 3.28Å; R47-E50 WeakPolarHBondContact O-CB 3.31Å; R47-E50 PolarHBondContact O-N 3.03Å; P48-E50 PolarHBondContact O-N 3.38Å; P48-E50 VanDerWaalsContact O-N 3.11Å
51	Y	96.7	Very high	96.5	Very high	120 Å²	120	69 Å²	69	47%	0.471	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.9	-15.1	-178.5	61.3	-101.7	0	0	0	114.3	P46 R47 P48	P46-Y51 HydrophobicContact CB-CD1 4.17Å; P46-Y51 HydrophobicContact CG-CD1 4.37Å; R47-Y51 WeakPolarHBondContact O-CD1 3.24Å; R47-Y51 VanDerWaalsContact O-CE1 3.26Å; R47-Y51 WeakPolarHBondContact O-CE1 3.4Å; P48-Y51 VanDerWaalsContact CA-CE1 3.46Å; P48-Y51 VanDerWaalsContact CA-CZ 3.45Å; P48-Y51 PolarHBondContact O-N 3.12Å
52	L	96.9	Very high	96.7	Very high	52 Å²	52	69.5 Å²	69.5	27%	0.272	36%	0.364	S	S	.	.	S	Bend	trans	-89.2	137.1	170.2	-62	-179.7	0	0	0	110.1	P48 L57 Y202 A203	P48-L52 HydrophobicContact CB-CD1 3.97Å; P48-L52 VanDerWaalsContact O-CB 3.27Å; P48-L52 WeakPolarHBondContact O-CB 3.36Å; P48-L52 WeakPolarHBondContact O-CG 3.26Å; P48-L52 PolarHBondContact O-N 3.06Å; L52-L57 HydrophobicContact CD1-CD2 4.21Å; L52-Y202 HydrophobicContact CD1-CD1 4.26Å; L52-A203 HydrophobicContact CD1-CB 4.01Å
53	N	95.5	Very high	96.8	Very high	85 Å²	85	67.1 Å²	67.1	46%	0.455	35%	0.35	S	S	.	.			trans	-83.1	120	167	177.9	6.3	0	0	0	108.9	S55 D56	N53-S55 PolarHBondContact O-N 3.27Å; N53-S55 VanDerWaalsContact O-N 3.16Å; N53-S55 PolarHBondContact OD1-N 3.29Å; N53-S55 VanDerWaalsContact OD1-N 3.14Å; N53-D56 HydrophobicContact CB-CB 4.43Å; N53-D56 VanDerWaalsContact CB-OD2 3.3Å; N53-D56 WeakPolarHBondContact CB-OD2 3.28Å; N53-D56 PolarHBondContact ND2-OD2 3.31Å; N53-D56 VanDerWaalsContact ND2-OD2 3.15Å; N53-D56 WeakPolarHBondContact O-CB 3.41Å; N53-D56 PolarHBondContact O-N 3.2Å
54	I	93.1	Very high	96.9	Very high	38 Å²	38	64 Å²	64	20%	0.195	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-58.6	-30.5	-177.8	-56.9	-59.3	0	0	0	112	D56 L57 E195 A199	I54-D56 PolarHBondContact O-N 2.66Å; I54-L57 HydrophobicContact CD1-CD1 4.08Å; I54-L57 WeakPolarHBondContact O-CB 3.34Å; I54-L57 PolarHBondContact O-N 3.39Å; I54-E195 HydrophobicContact CD1-CB 4.04Å; I54-E195 WeakPolarHBondContact CD1-O 3.29Å; I54-E195 HydrophobicContact CG1-CB 4.01Å; I54-E195 HydrophobicContact CG1-CG 4.49Å; I54-E195 HydrophobicContact CG2-CB 4.2Å; I54-E195 HydrophobicContact CG2-CG 4.03Å; I54-A199 HydrophobicContact CD1-CB 3.91Å
55	S	94.1	Very high	97	Very high	97 Å²	97	63.2 Å²	63.2	68%	0.678	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-67.8	-22.3	178.8	-56.3	0	0	0	0	113.2	N53	N53-S55 PolarHBondContact O-N 3.27Å; N53-S55 VanDerWaalsContact O-N 3.16Å; N53-S55 PolarHBondContact OD1-N 3.29Å; N53-S55 VanDerWaalsContact OD1-N 3.14Å
56	D	96.8	Very high	97.1	Very high	124 Å²	124	63 Å²	63	66%	0.663	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-91	-8.5	-178.5	-59.2	-24.3	0	0	0	112.1	N53 I54	N53-D56 HydrophobicContact CB-CB 4.43Å; N53-D56 VanDerWaalsContact CB-OD2 3.3Å; N53-D56 WeakPolarHBondContact CB-OD2 3.28Å; N53-D56 PolarHBondContact ND2-OD2 3.31Å; N53-D56 VanDerWaalsContact ND2-OD2 3.15Å; N53-D56 WeakPolarHBondContact O-CB 3.41Å; N53-D56 PolarHBondContact O-N 3.2Å; I54-D56 PolarHBondContact O-N 2.66Å
57	L	97.8	Very high	97.1	Very high	14 Å²	14	67.3 Å²	67.3	7%	0.073	34%	0.342	C	S	.	.	S	Bend	trans	-68.2	145.1	175	-62.2	-176.7	0	0	0	110.9	L52 I54 M198 A199 Y202 W243	L52-L57 HydrophobicContact CD1-CD2 4.21Å; I54-L57 HydrophobicContact CD1-CD1 4.08Å; I54-L57 WeakPolarHBondContact O-CB 3.34Å; I54-L57 PolarHBondContact O-N 3.39Å; L57-M198 HydrophobicContact CD1-CB 3.79Å; L57-A199 HydrophobicContact CD1-CB 4.38Å; L57-Y202 HydrophobicContact CD2-CD1 3.51Å; L57-Y202 HydrophobicContact CD2-CE1 4.02Å; L57-Y202 HydrophobicContact CD2-CG 3.9Å; L57-W243 HydrophobicContact CB-CZ2 4.38Å
58	P	98.1	Very high	97.2	Very high	40 Å²	40	70.5 Å²	70.5	26%	0.26	38%	0.376	S	S	.	.			trans	-63.8	147.9	179.5	29.1	-36.7	0	0	0	111.2	V60 W61 Y202 W243	P58-V60 WeakPolarHBondContact CB-O 3.28Å; P58-V60 PolarHBondContact O-N 2.83Å; P58-W61 HydrophobicContact CG-CB 4.2Å; P58-W61 HydrophobicContact CG-CD2 4.4Å; P58-W61 HydrophobicContact CG-CE3 3.82Å; P58-Y202 HydrophobicContact CG-CD2 3.9Å; P58-Y202 HydrophobicContact CG-CE2 3.68Å; P58-W243 HydrophobicContact CG-CZ2 4.28Å; P58-W243 WeakPolarHBondContact O-CZ2 3.34Å; P58-W243 PolarHBondContact O-NE1 2.98Å
59	K	97.8	Very high	97.2	Very high	153 Å²	153	73.6 Å²	73.6	67%	0.665	39%	0.394	S	S	*	.	S	Bend	trans	-66.9	-21.4	176.1	-63.9	-58.6	-175.1	-172	0	113.4	W243	K59-W243 PolarHBondContact O-NE1 2.93Å
60	V	98.4	Very high	97.4	Very high	84 Å²	84	75.4 Å²	75.4	51%	0.509	41%	0.406	S	S	.	.			trans	-135.3	132.3	176.9	-177.7	0	0	0	0	107.9	P58	P58-V60 WeakPolarHBondContact CB-O 3.28Å; P58-V60 PolarHBondContact O-N 2.83Å
61	W	98.8	Very high	97.4	Very high	47 Å²	47	72.4 Å²	72.4	18%	0.178	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	131.2	174.2	-171.1	-104.7	0	0	0	109.5	P58 W63 V66 Y202 G242 W243	P58-W61 HydrophobicContact CG-CB 4.2Å; P58-W61 HydrophobicContact CG-CD2 4.4Å; P58-W61 HydrophobicContact CG-CE3 3.82Å; W61-W63 AromaticContact CD1-NE1 3.85Å; W61-W63 AromaticContact CZ2-CH2 3.91Å; W61-W63 HydrophobicContact CZ2-CH2 3.91Å; W61-W63 AromaticContact CZ2-CZ2 3.84Å; W61-W63 HydrophobicContact CZ2-CZ2 3.84Å; W61-W63 HydrophobicContact CZ2-CZ3 4.29Å; W61-W63 AromaticContact NE1-CD1 3.71Å; W61-W63 AromaticContact NE1-CD2 3.84Å; W61-W63 AromaticContact NE1-CE2 3.28Å; W61-W63 VanDerWaalsContact NE1-CE2 3.28Å; W61-W63 AromaticContact NE1-CZ2 3.7Å; W61-W63 AromaticContact NE1-NE1 3.16Å; W61-W63 VanDerWaalsContact NE1-NE1 3.16Å; W61-V66 HydrophobicContact CH2-CG1 3.85Å; W61-V66 HydrophobicContact CH2-CG2 4.23Å; W61-V66 HydrophobicContact CZ2-CG1 4.29Å; W61-V66 HydrophobicContact CZ2-CG2 3.95Å; W61-Y202 AromaticContact CD2-CD2 3.53Å; W61-Y202 HydrophobicContact CD2-CD2 3.53Å; W61-Y202 AromaticContact CD2-CE2 3.9Å; W61-Y202 HydrophobicContact CD2-CE2 3.9Å; W61-Y202 AromaticContact CE2-CD2 3.65Å; W61-Y202 AromaticContact CE3-CD2 3.77Å; W61-Y202 HydrophobicContact CE3-CD2 3.77Å; W61-Y202 AromaticContact CE3-CE2 3.62Å; W61-Y202 HydrophobicContact CE3-CE2 3.62Å; W61-Y202 AromaticContact CG-CD2 3.99Å; W61-Y202 HydrophobicContact CG-CD2 3.99Å; W61-Y202 HydrophobicContact CH2-CD2 4.17Å; W61-Y202 AromaticContact CH2-CE2 3.76Å; W61-Y202 HydrophobicContact CH2-CE2 3.76Å; W61-Y202 AromaticContact CZ2-CD2 3.97Å; W61-Y202 HydrophobicContact CZ2-CD2 3.97Å; W61-Y202 HydrophobicContact CZ2-CE2 4.04Å; W61-Y202 HydrophobicContact CZ3-CD2 4.08Å; W61-Y202 AromaticContact CZ3-CE2 3.56Å; W61-Y202 HydrophobicContact CZ3-CE2 3.56Å; W61-G242 CarbonylContact O-C 3.59Å; W61-G242 WeakPolarHBondContact O-CA 3.31Å; W61-W243 HydrophobicContact CB-CD2 4Å; W61-W243 HydrophobicContact CB-CE3 4.11Å; W61-W243 HydrophobicContact CB-CH2 3.91Å; W61-W243 HydrophobicContact CB-CZ2 3.7Å; W61-W243 HydrophobicContact CB-CZ3 4.06Å; W61-W243 HydrophobicContact CG-CH2 4.35Å; W61-W243 HydrophobicContact CG-CZ3 4.45Å; W61-W243 PolarHBondContact N-O 3.48Å; W61-W243 PolarHBondContact O-N 3.19Å
62	D	98.8	Very high	97.5	Very high	33 Å²	33	67.3 Å²	67.3	18%	0.176	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	111.8	-178.8	-168.8	-18.1	0	0	0	110.6	R64 N65 V66	D62-R64 PolarHBondContact O-N 3.18Å; D62-R64 VanDerWaalsContact O-N 3.12Å; D62-R64 WeakPolarHBondContact OD1-CB 3.45Å; D62-R64 WeakPolarHBondContact OD1-CG 3.49Å; D62-R64 IonicContact OD1-CZ 3.42Å; D62-R64 PolarHBondContact OD1-N 3.5Å; D62-R64 IonicContact OD1-NE 3.71Å; D62-R64 PolarHBondContact OD1-NE 3.18Å; D62-R64 IonicContact OD2-CZ 3.6Å; D62-R64 VanDerWaalsContact OD2-CZ 3.24Å; D62-R64 IonicContact OD2-NE 3.7Å; D62-R64 PolarHBondContact OD2-NE 3.44Å; D62-R64 IonicContact OD2-NH2 2.81Å; D62-R64 PolarHBondContact OD2-NH2 2.97Å; D62-N65 CarbonylContact O-C 3.5Å; D62-N65 PolarHBondContact O-N 3.31Å; D62-V66 WeakPolarHBondContact O-CG2 3.32Å
63	W	98.9	Very high	97.6	Very high	19 Å²	19	65.2 Å²	65.2	7%	0.072	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-14.1	178.6	-77.1	112.7	0	0	0	114	W61 N65 V66 F71 V72 I102 I201 Y202 P206 A241	W61-W63 AromaticContact CD1-NE1 3.85Å; W61-W63 AromaticContact CZ2-CH2 3.91Å; W61-W63 HydrophobicContact CZ2-CH2 3.91Å; W61-W63 AromaticContact CZ2-CZ2 3.84Å; W61-W63 HydrophobicContact CZ2-CZ2 3.84Å; W61-W63 HydrophobicContact CZ2-CZ3 4.29Å; W61-W63 AromaticContact NE1-CD1 3.71Å; W61-W63 AromaticContact NE1-CD2 3.84Å; W61-W63 AromaticContact NE1-CE2 3.28Å; W61-W63 VanDerWaalsContact NE1-CE2 3.28Å; W61-W63 AromaticContact NE1-CZ2 3.7Å; W61-W63 AromaticContact NE1-NE1 3.16Å; W61-W63 VanDerWaalsContact NE1-NE1 3.16Å; W63-N65 PolarHBondContact O-N 2.63Å; W63-V66 HydrophobicContact CD2-CG2 4.25Å; W63-V66 HydrophobicContact CE3-CG2 3.61Å; W63-V66 HydrophobicContact CZ3-CG2 3.96Å; W63-F71 HydrophobicContact CE3-CB 4.25Å; W63-F71 AromaticContact CE3-CD2 3.96Å; W63-F71 HydrophobicContact CE3-CD2 3.96Å; W63-F71 HydrophobicContact CE3-CG 4.23Å; W63-F71 HydrophobicContact CZ3-CD2 4.2Å; W63-F71 PolarHBondContact O-N 3.28Å; W63-F71 VanDerWaalsContact O-N 3.1Å; W63-V72 HydrophobicContact CB-CG1 3.73Å; W63-I102 HydrophobicContact CD2-CD1 3.44Å; W63-I102 VanDerWaalsContact CD2-CD1 3.44Å; W63-I102 HydrophobicContact CD2-CG1 4.12Å; W63-I102 HydrophobicContact CE3-CD1 3.46Å; W63-I102 VanDerWaalsContact CE3-CD1 3.46Å; W63-I102 HydrophobicContact CE3-CG1 3.58Å; W63-I102 HydrophobicContact CG-CD1 4.03Å; W63-I102 HydrophobicContact CH2-CD1 3.92Å; W63-I102 HydrophobicContact CH2-CG1 4.1Å; W63-I102 HydrophobicContact CH2-CG2 3.61Å; W63-I102 HydrophobicContact CZ2-CD1 3.9Å; W63-I102 HydrophobicContact CZ2-CG2 4.37Å; W63-I102 HydrophobicContact CZ3-CB 4.29Å; W63-I102 HydrophobicContact CZ3-CD1 3.71Å; W63-I102 HydrophobicContact CZ3-CG1 3.58Å; W63-I102 HydrophobicContact CZ3-CG2 3.73Å; W63-I201 PolarHBondContact NE1-O 2.99Å; W63-Y202 WeakPolarHBondContact CZ2-O 3.2Å; W63-P206 HydrophobicContact CB-CG 4.22Å; W63-P206 HydrophobicContact CG-CG 4.22Å; W63-A241 PolarHBondContact N-O 2.63Å
64	R	98.8	Very high	97.8	Very high	70 Å²	70	65.2 Å²	65.2	26%	0.264	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-19.9	171.2	-57.2	177.2	-63.8	176.8	5.5	112.4	D62 N70 V72 W267	D62-R64 PolarHBondContact O-N 3.18Å; D62-R64 VanDerWaalsContact O-N 3.12Å; D62-R64 WeakPolarHBondContact OD1-CB 3.45Å; D62-R64 WeakPolarHBondContact OD1-CG 3.49Å; D62-R64 IonicContact OD1-CZ 3.42Å; D62-R64 PolarHBondContact OD1-N 3.5Å; D62-R64 IonicContact OD1-NE 3.71Å; D62-R64 PolarHBondContact OD1-NE 3.18Å; D62-R64 IonicContact OD2-CZ 3.6Å; D62-R64 VanDerWaalsContact OD2-CZ 3.24Å; D62-R64 IonicContact OD2-NE 3.7Å; D62-R64 PolarHBondContact OD2-NE 3.44Å; D62-R64 IonicContact OD2-NH2 2.81Å; D62-R64 PolarHBondContact OD2-NH2 2.97Å; R64-N70 WeakPolarHBondContact CA-OD1 3.49Å; R64-N70 VanDerWaalsContact O-CA 3.29Å; R64-N70 WeakPolarHBondContact O-CA 3.31Å; R64-N70 VanDerWaalsContact O-CB 3.27Å; R64-N70 WeakPolarHBondContact O-CB 3.37Å; R64-N70 PolarHBondContact O-OD1 3.02Å; R64-V72 HydrophobicContact CB-CG2 4.42Å; R64-V72 HydrophobicContact CG-CG1 4.06Å; R64-V72 HydrophobicContact CG-CG2 3.7Å; R64-W267 HydrophobicContact CG-CH2 3.89Å; R64-W267 HydrophobicContact CG-CZ2 4.18Å; R64-W267 HydrophobicContact CG-CZ3 4.19Å
65	N	98.5	Very high	98	Very high	100 Å²	100	65 Å²	65	54%	0.535	37%	0.367	S	S	.	.			trans	-154.8	87.7	179.3	-177.5	9.5	0	0	0	111.3	D62 W63 G68 T69	D62-N65 CarbonylContact O-C 3.5Å; D62-N65 PolarHBondContact O-N 3.31Å; W63-N65 PolarHBondContact O-N 2.63Å; N65-G68 WeakPolarHBondContact OD1-CA 3.34Å; N65-G68 PolarHBondContact OD1-N 2.8Å; N65-T69 WeakPolarHBondContact CA-O 3.32Å
66	V	98.3	Very high	98.3	Very high	23 Å²	23	61.3 Å²	61.3	14%	0.139	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-104	108.4	168.6	-179	0	0	0	0	107.8	W61 D62 W63 G68 T69 F71	W61-V66 HydrophobicContact CH2-CG1 3.85Å; W61-V66 HydrophobicContact CH2-CG2 4.23Å; W61-V66 HydrophobicContact CZ2-CG1 4.29Å; W61-V66 HydrophobicContact CZ2-CG2 3.95Å; D62-V66 WeakPolarHBondContact O-CG2 3.32Å; W63-V66 HydrophobicContact CD2-CG2 4.25Å; W63-V66 HydrophobicContact CE3-CG2 3.61Å; W63-V66 HydrophobicContact CZ3-CG2 3.96Å; V66-G68 VanDerWaalsContact C-N 3.28Å; V66-G68 PolarHBondContact O-N 3.02Å; V66-T69 PolarHBondContact N-O 3.46Å; V66-T69 WeakPolarHBondContact O-CB 3.46Å; V66-T69 PolarHBondContact O-N 3.37Å; V66-F71 HydrophobicContact CB-CD2 4.21Å; V66-F71 HydrophobicContact CB-CE2 3.96Å; V66-F71 HydrophobicContact CG2-CD2 4.38Å
67	N	96.5	Very high	98.4	Very high	164 Å²	164	57.1 Å²	57.1	88%	0.877	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	42.7	-178	-59.7	-32.6	0	0	0	113.5	T69	N67-T69 VanDerWaalsContact C-N 3.3Å; N67-T69 PolarHBondContact O-N 2.9Å
68	G	97.3	Very high	98.4	Very high	69 Å²	69	56.5 Å²	56.5	71%	0.711	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	84	-2.3	-179.9	0	0	0	0	0	114.8	N65 V66	N65-G68 WeakPolarHBondContact OD1-CA 3.34Å; N65-G68 PolarHBondContact OD1-N 2.8Å; V66-G68 VanDerWaalsContact C-N 3.28Å; V66-G68 PolarHBondContact O-N 3.02Å
69	T	98.1	Very high	98.3	Very high	64 Å²	64	55.8 Å²	55.8	39%	0.393	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-103.9	129.7	179.7	-53.7	0	0	0	0	110.7	N65 V66 N67 F71	N65-T69 WeakPolarHBondContact CA-O 3.32Å; V66-T69 PolarHBondContact N-O 3.46Å; V66-T69 WeakPolarHBondContact O-CB 3.46Å; V66-T69 PolarHBondContact O-N 3.37Å; N67-T69 VanDerWaalsContact C-N 3.3Å; N67-T69 PolarHBondContact O-N 2.9Å; T69-F71 HydrophobicContact CG2-CD2 4.16Å; T69-F71 HydrophobicContact CG2-CE1 4.11Å; T69-F71 HydrophobicContact CG2-CE2 3.6Å; T69-F71 HydrophobicContact CG2-CZ 3.58Å
70	N	98.6	Very high	98.3	Very high	99 Å²	99	53.2 Å²	53.2	53%	0.529	30%	0.298	S	S	.	.			trans	-91.7	120.6	171.5	179.2	14.1	0	0	0	110.2	R64 V72	R64-N70 WeakPolarHBondContact CA-OD1 3.49Å; R64-N70 VanDerWaalsContact O-CA 3.29Å; R64-N70 WeakPolarHBondContact O-CA 3.31Å; R64-N70 VanDerWaalsContact O-CB 3.27Å; R64-N70 WeakPolarHBondContact O-CB 3.37Å; R64-N70 PolarHBondContact O-OD1 3.02Å; N70-V72 VanDerWaalsContact OD1-CG2 3.31Å; N70-V72 WeakPolarHBondContact OD1-CG2 3.48Å; N70-V72 PolarHBondContact OD1-N 3.21Å
71	F	98.8	Very high	98.3	Very high	26 Å²	26	53.9 Å²	53.9	11%	0.114	30%	0.304	C	S	.	.			trans	-100.7	-12.1	178.1	-70.2	-82.8	0	0	0	113.9	W63 V66 T69 N101 I102	W63-F71 HydrophobicContact CE3-CB 4.25Å; W63-F71 AromaticContact CE3-CD2 3.96Å; W63-F71 HydrophobicContact CE3-CD2 3.96Å; W63-F71 HydrophobicContact CE3-CG 4.23Å; W63-F71 HydrophobicContact CZ3-CD2 4.2Å; W63-F71 PolarHBondContact O-N 3.28Å; W63-F71 VanDerWaalsContact O-N 3.1Å; V66-F71 HydrophobicContact CB-CD2 4.21Å; V66-F71 HydrophobicContact CB-CE2 3.96Å; V66-F71 HydrophobicContact CG2-CD2 4.38Å; T69-F71 HydrophobicContact CG2-CD2 4.16Å; T69-F71 HydrophobicContact CG2-CE1 4.11Å; T69-F71 HydrophobicContact CG2-CE2 3.6Å; T69-F71 HydrophobicContact CG2-CZ 3.58Å; F71-N101 WeakPolarHBondContact O-CB 3.4Å; F71-N101 PolarHBondContact O-ND2 2.89Å; F71-I102 HydrophobicContact CB-CG1 3.71Å; F71-I102 HydrophobicContact CD1-CG1 4.09Å; F71-I102 HydrophobicContact CG-CG1 3.96Å
72	V	98.8	Very high	98.1	Very high	13 Å²	13	56.6 Å²	56.6	8%	0.079	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-84.9	138.8	-172.5	-46.6	0	0	0	0	110.7	W63 R64 N70 D98 W267	W63-V72 HydrophobicContact CB-CG1 3.73Å; R64-V72 HydrophobicContact CB-CG2 4.42Å; R64-V72 HydrophobicContact CG-CG1 4.06Å; R64-V72 HydrophobicContact CG-CG2 3.7Å; N70-V72 VanDerWaalsContact OD1-CG2 3.31Å; N70-V72 WeakPolarHBondContact OD1-CG2 3.48Å; N70-V72 PolarHBondContact OD1-N 3.21Å; V72-D98 WeakPolarHBondContact CA-OD1 3.28Å; V72-D98 WeakPolarHBondContact CB-OD2 3.38Å; V72-W267 HydrophobicContact CB-CH2 4.28Å; V72-W267 HydrophobicContact CG1-CH2 4.35Å; V72-W267 HydrophobicContact CG2-CH2 3.87Å; V72-W267 HydrophobicContact CG2-CZ2 3.73Å
73	S	98.7	Very high	97.9	Very high	8 Å²	8	59.2 Å²	59.2	6%	0.056	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-61.8	169.4	173.9	57.6	0	0	0	0	112.7	D98 R255	S73-D98 WeakPolarHBondContact CB-OD1 3.11Å; S73-D98 PolarHBondContact N-OD1 2.95Å; S73-D98 PolarHBondContact OG-OD1 3.11Å; S73-R255 VanDerWaalsContact N-NH2 3.19Å; S73-R255 PolarHBondContact O-NH2 3.31Å; S73-R255 PolarHBondContact OG-NH2 3.03Å
74	T	98.3	Very high	97.8	Very high	85 Å²	85	58.3 Å²	58.3	52%	0.521	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-64	144.9	-177	-169.5	0	0	0	0	112.4	Y112	T74-Y112 HydrophobicContact CG2-CD2 4.02Å; T74-Y112 HydrophobicContact CG2-CE2 3.43Å; T74-Y112 VanDerWaalsContact CG2-CE2 3.43Å
75	T	98.8	Very high	97.8	Very high	34 Å²	34	55 Å²	55	21%	0.209	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-60.9	139	167.1	-61.3	0	0	0	0	109.6	W267	T75-W267 PolarHBondContact OG1-NE1 3.01Å
76	R	98.8	Very high	97.8	Very high	19 Å²	19	50.3 Å²	50.3	7%	0.072	29%	0.286	C	S	.	.			trans	-120.5	166.6	-178.9	-60.4	-175	73.9	143	9	111.6	Y112 L113 E147 S257 G259	R76-Y112 HydrophobicContact CG-CE2 4Å; R76-Y112 VanDerWaalsContact CZ-OH 3.3Å; R76-Y112 PolarHBondContact NE-OH 3.48Å; R76-L113 PolarHBondContact NH1-O 2.89Å; R76-E147 IonicContact CZ-OE2 3.29Å; R76-E147 VanDerWaalsContact CZ-OE2 3.29Å; R76-E147 IonicContact NH1-OE2 2.9Å; R76-E147 PolarHBondContact NH1-OE2 2.88Å; R76-E147 IonicContact NH2-OE1 2.97Å; R76-E147 PolarHBondContact NH2-OE1 2.65Å; R76-E147 IonicContact NH2-OE2 2.76Å; R76-E147 PolarHBondContact NH2-OE2 3.21Å; R76-S257 CarbonylContact O-C 3.49Å; R76-S257 VanDerWaalsContact O-C 3.29Å; R76-G259 WeakPolarHBondContact O-CA 3.23Å; R76-G259 PolarHBondContact O-N 3.13Å
77	N	98.6	Very high	97.8	Very high	35 Å²	35	49.2 Å²	49.2	19%	0.187	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-130.8	112.9	175.3	-170.1	-10.7	0	0	0	110.9	H79 I80 S257 W258	N77-H79 VanDerWaalsContact C-N 3.3Å; N77-H79 PolarHBondContact O-N 2.93Å; N77-H79 PolarHBondContact OD1-N 3.38Å; N77-I80 HydrophobicContact CB-CD1 3.92Å; N77-I80 HydrophobicContact CB-CG1 3.86Å; N77-S257 CarbonylContact C-O 3.49Å; N77-S257 WeakPolarHBondContact CA-O 3.34Å; N77-W258 PolarHBondContact ND2-O 2.75Å
78	Q	98.1	Very high	97.9	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-10.5	-179.5	80.5	-176.4	54.4	0	0	113.5	C30 C84 C87 H90 Y152 S257	C30-Q78 PolarHBondContact SG-NE2 3.1Å; C30-Q78 VanDerWaalsContact SG-NE2 3.39Å; Q78-C84 PolarHBondContact NE2-O 3.01Å; Q78-C87 VanDerWaalsContact OE1-CB 3.22Å; Q78-H90 VanDerWaalsContact CB-CE1 3.41Å; Q78-H90 WeakPolarHBondContact CB-CE1 3.48Å; Q78-Y152 WeakPolarHBondContact CA-OH 3.5Å; Q78-Y152 PolarHBondContact O-OH 3.38Å; Q78-S257 PolarHBondContact N-O 3.24Å; Q78-S257 PolarHBondContact OE1-OG 2.72Å
79	H	97.1	Very high	98	Very high	26 Å²	26	38.1 Å²	38.1	12%	0.12	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	7.8	-174	-57.4	144.7	0	0	0	113.8	F23 N77 Q82 Y83 W258	F23-H79 AromaticContact CD1-ND1 3.75Å; F23-H79 PolarHBondContact O-CE1 2.95Å; F23-H79 PolarHBondContact O-ND1 3.31Å; F23-H79 PolarHBondContact O-NE2 3.12Å; N77-H79 VanDerWaalsContact C-N 3.3Å; N77-H79 PolarHBondContact O-N 2.93Å; N77-H79 PolarHBondContact OD1-N 3.38Å; H79-Q82 CarbonylContact C-O 3.57Å; H79-Q82 CarbonylContact O-C 3.47Å; H79-Q82 VanDerWaalsContact O-C 3.28Å; H79-Q82 VanDerWaalsContact O-O 3.12Å; H79-Y83 AromaticContact CD2-CD2 3.72Å; H79-Y83 AromaticContact CD2-CE2 3.92Å; H79-W258 AromaticContact CE1-CD1 3.03Å; H79-W258 AromaticContact CE1-CE2 3.96Å; H79-W258 AromaticContact CE1-CG 3.61Å; H79-W258 AromaticContact CE1-NE1 3.24Å; H79-W258 PolarHBondContact CE1-NE1 2.91Å; H79-W258 AromaticContact ND1-CD1 3.72Å; H79-W258 AromaticContact NE2-CD1 3.76Å; H79-W258 AromaticContact NE2-NE1 3.76Å
80	I	97.3	Very high	98	Very high	98 Å²	98	35.1 Å²	35.1	50%	0.503	19%	0.185	S	C	.	.	S	Bend	trans	-132.3	145.5	178.3	59.3	175.7	0	0	0	109.9	N77 Q82 Y152	N77-I80 HydrophobicContact CB-CD1 3.92Å; N77-I80 HydrophobicContact CB-CG1 3.86Å; I80-Q82 VanDerWaalsContact C-N 3.26Å; I80-Q82 VanDerWaalsContact CA-N 3.34Å; I80-Q82 PolarHBondContact N-O 3.04Å; I80-Y152 VanDerWaalsContact O-CE1 3.3Å; I80-Y152 WeakPolarHBondContact O-CE1 3.32Å
81	P	97.9	Very high	98	Very high	99 Å²	99	30.7 Å²	30.7	64%	0.643	16%	0.162	S	C	*	.	S	Bend	cis	-72.5	-8.6	5.1	31.2	-38.2	0	0	0	115.1
82	Q	96	Very high	98	Very high	103 Å²	103	29.5 Å²	29.5	48%	0.481	16%	0.157	S	C	.	.	S	Bend	trans	-148.6	169.4	178.1	62	-163.7	39.6	0	0	109.3	H79 I80 C84 A154	H79-Q82 CarbonylContact C-O 3.57Å; H79-Q82 CarbonylContact O-C 3.47Å; H79-Q82 VanDerWaalsContact O-C 3.28Å; H79-Q82 VanDerWaalsContact O-O 3.12Å; I80-Q82 VanDerWaalsContact C-N 3.26Å; I80-Q82 VanDerWaalsContact CA-N 3.34Å; I80-Q82 PolarHBondContact N-O 3.04Å; Q82-C84 PolarHBondContact O-N 3.29Å; Q82-A154 HydrophobicContact CG-CB 4.06Å; Q82-A154 WeakPolarHBondContact CG-O 3.48Å; Q82-A154 PolarHBondContact NE2-O 3.39Å; Q82-A154 VanDerWaalsContact O-CB 3.32Å; Q82-A154 WeakPolarHBondContact O-CB 3.28Å
83	Y	94.7	Very high	98	Very high	89 Å²	89	29 Å²	29	35%	0.349	15%	0.154	S	C	.	.			trans	-64.3	131.7	177.5	179.1	-97.9	0	0	0	111.4	E28 H79	E28-Y83 PolarHBondContact O-OH 2.78Å; H79-Y83 AromaticContact CD2-CD2 3.72Å; H79-Y83 AromaticContact CD2-CE2 3.92Å
84	C	97.1	Very high	98	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.153	C	C	.	.			trans	-148.3	118.4	170.7	173.5	0	0	0	0	109.1	Q78 Q82 S86 C127 Y152 A154	Q78-C84 PolarHBondContact NE2-O 3.01Å; Q82-C84 PolarHBondContact O-N 3.29Å; C84-S86 PolarHBondContact O-N 2.79Å; C84-S86 PolarHBondContact O-OG 2.9Å; C84-S86 VanDerWaalsContact SG-CB 3.53Å; C84-S86 PolarHBondContact SG-OG 2.86Å; C84-S86 VanDerWaalsContact SG-OG 3.41Å; C84-C127 HydrophobicContact CB-CB 3.82Å; C84-C127 WeakPolarHBondContact CB-SG 3.27Å; C84-C127 WeakPolarHBondContact SG-CA 3.42Å; C84-C127 WeakPolarHBondContact SG-CB 3.48Å; C84-C127 CovalentContact SG-SG 2.04Å; C84-C127 PolarHBondContact SG-SG 3.23Å; C84-Y152 WeakPolarHBondContact CB-OH 3.24Å; C84-A154 HydrophobicContact CB-CB 3.72Å
85	G	97.2	Very high	98.1	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.01	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-71.2	65.8	176.4	0	0	0	0	0	112.6	W88 C127 G129	G85-W88 VanDerWaalsContact O-CD1 3.32Å; G85-W88 PolarHBondContact O-NE1 2.87Å; G85-W88 VanDerWaalsContact O-NE1 3.16Å; G85-C127 VanDerWaalsContact CA-O 3.31Å; G85-C127 WeakPolarHBondContact CA-O 3.46Å; G85-C127 PolarHBondContact N-O 3.1Å; G85-G129 PolarHBondContact O-N 3.2Å
86	S	98.5	Very high	98.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.119	C	C	.	.			trans	-116.2	23.6	-171.9	56.9	0	0	0	0	114.4	C84 W88 A89 H90 Y152	C84-S86 PolarHBondContact O-N 2.79Å; C84-S86 PolarHBondContact O-OG 2.9Å; C84-S86 VanDerWaalsContact SG-CB 3.53Å; C84-S86 PolarHBondContact SG-OG 2.86Å; C84-S86 VanDerWaalsContact SG-OG 3.41Å; S86-W88 PolarHBondContact O-N 2.92Å; S86-A89 PolarHBondContact O-N 2.95Å; S86-A89 VanDerWaalsContact O-N 3.14Å; S86-H90 PolarHBondContact O-N 2.85Å; S86-H90 PolarHBondContact O-ND1 2.79Å; S86-H90 PolarHBondContact OG-CE1 2.99Å; S86-H90 PolarHBondContact OG-ND1 3.49Å; S86-Y152 PolarHBondContact OG-OH 3.02Å
87	C	98.6	Very high	98.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-55.9	-35.7	173.6	57.6	0	0	0	0	112.7	C30 Q78 A89 H90 G91 H236 I237	C30-C87 HydrophobicContact CB-CB 4.2Å; C30-C87 WeakPolarHBondContact CB-SG 3.47Å; C30-C87 VanDerWaalsContact SG-CA 3.53Å; C30-C87 WeakPolarHBondContact SG-CB 3.15Å; C30-C87 PolarHBondContact SG-N 3.07Å; C30-C87 CovalentContact SG-SG 2.01Å; C30-C87 PolarHBondContact SG-SG 2.97Å; Q78-C87 VanDerWaalsContact OE1-CB 3.22Å; C87-A89 VanDerWaalsContact C-N 3.26Å; C87-A89 PolarHBondContact O-N 2.86Å; C87-H90 PolarHBondContact O-N 2.76Å; C87-G91 PolarHBondContact O-N 2.94Å; C87-H236 WeakPolarHBondContact CB-CE1 3.25Å; C87-H236 VanDerWaalsContact CB-ND1 3.34Å; C87-H236 WeakPolarHBondContact CB-ND1 3.49Å; C87-H236 PolarHBondContact SG-ND1 2.9Å; C87-H236 VanDerWaalsContact SG-ND1 3.35Å; C87-I237 HydrophobicContact CB-CB 4.33Å; C87-I237 WeakPolarHBondContact CB-O 3.34Å; C87-I237 PolarHBondContact SG-N 2.97Å; C87-I237 VanDerWaalsContact SG-N 3.4Å
88	W	98.7	Very high	98.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-59.5	-38.7	177.6	59.1	-90.9	0	0	0	111.6	G85 S86 S92 V118 I119 A124 S126 G130 V135 I237	G85-W88 VanDerWaalsContact O-CD1 3.32Å; G85-W88 PolarHBondContact O-NE1 2.87Å; G85-W88 VanDerWaalsContact O-NE1 3.16Å; S86-W88 PolarHBondContact O-N 2.92Å; W88-S92 WeakPolarHBondContact O-CB 3.04Å; W88-S92 PolarHBondContact O-OG 2.9Å; W88-V118 HydrophobicContact CH2-CG1 4.08Å; W88-V118 HydrophobicContact CZ3-CG1 3.67Å; W88-I119 HydrophobicContact CH2-CG1 4.39Å; W88-I119 HydrophobicContact CZ2-CG1 4.16Å; W88-A124 HydrophobicContact CE3-CB 4.22Å; W88-A124 HydrophobicContact CH2-CB 4.32Å; W88-A124 HydrophobicContact CZ3-CB 3.57Å; W88-S126 PolarHBondContact NE1-O 3.39Å; W88-G130 WeakPolarHBondContact CB-O 3.22Å; W88-V135 HydrophobicContact CE3-CG2 3.49Å; W88-V135 VanDerWaalsContact CE3-CG2 3.49Å; W88-V135 HydrophobicContact CZ3-CG2 3.58Å; W88-I237 HydrophobicContact CB-CG1 4.16Å
89	A	98.9	Very high	98.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-78.2	-42	174.1	0	0	0	0	0	111.7	S86 C87 S92 T93 V115 V118 I119	S86-A89 PolarHBondContact O-N 2.95Å; S86-A89 VanDerWaalsContact O-N 3.14Å; C87-A89 VanDerWaalsContact C-N 3.26Å; C87-A89 PolarHBondContact O-N 2.86Å; A89-S92 PolarHBondContact O-OG 2.79Å; A89-T93 VanDerWaalsContact O-CB 3.31Å; A89-T93 WeakPolarHBondContact O-CB 3.3Å; A89-T93 VanDerWaalsContact O-CG2 3.28Å; A89-T93 WeakPolarHBondContact O-CG2 3.46Å; A89-T93 PolarHBondContact O-N 2.8Å; A89-T93 PolarHBondContact O-OG1 2.82Å; A89-V115 HydrophobicContact CB-CG1 3.87Å; A89-V118 HydrophobicContact CB-CB 4.44Å; A89-V118 HydrophobicContact CB-CG1 3.98Å; A89-I119 HydrophobicContact CB-CG1 4.49Å
90	H	98.9	Very high	98.2	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.009	10%	0.102	C	C	.	.	H	α-helix	trans	-64.8	-49.3	179.6	-78.7	84.6	0	0	0	113	Q78 S86 C87 S92 T93 S94 Y152	Q78-H90 VanDerWaalsContact CB-CE1 3.41Å; Q78-H90 WeakPolarHBondContact CB-CE1 3.48Å; S86-H90 PolarHBondContact O-N 2.85Å; S86-H90 PolarHBondContact O-ND1 2.79Å; S86-H90 PolarHBondContact OG-CE1 2.99Å; S86-H90 PolarHBondContact OG-ND1 3.49Å; C87-H90 PolarHBondContact O-N 2.76Å; H90-S92 PolarHBondContact O-N 3.25Å; H90-T93 PolarHBondContact O-OG1 2.76Å; H90-S94 WeakPolarHBondContact O-CB 3.38Å; H90-S94 PolarHBondContact O-N 3.19Å; H90-S94 PolarHBondContact O-OG 2.91Å; H90-Y152 AromaticContact CE1-CE2 3.6Å; H90-Y152 AromaticContact CE1-CZ 3.53Å
91	G	98.8	Very high	98.3	Very high	5 Å²	5	15.1 Å²	15.1	5%	0.052	8%	0.079	C	C	.	.	H	α-helix	trans	-64.2	-39.4	-177.6	0	0	0	0	0	112.6	C87 A95	C87-G91 PolarHBondContact O-N 2.94Å; G91-A95 VanDerWaalsContact O-CB 3.31Å; G91-A95 WeakPolarHBondContact O-CB 3.38Å; G91-A95 PolarHBondContact O-N 2.89Å
92	S	98.9	Very high	98.3	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.007	6%	0.056	C	C	.	.	H	α-helix	trans	-71.5	-53.3	176.9	52.5	0	0	0	0	112.4	W88 A89 H90 S94 A95 M96 V135	W88-S92 WeakPolarHBondContact O-CB 3.04Å; W88-S92 PolarHBondContact O-OG 2.9Å; A89-S92 PolarHBondContact O-OG 2.79Å; H90-S92 PolarHBondContact O-N 3.25Å; S92-S94 VanDerWaalsContact C-N 3.33Å; S92-S94 PolarHBondContact O-N 3.42Å; S92-A95 PolarHBondContact O-N 2.85Å; S92-M96 WeakPolarHBondContact O-CB 3.44Å; S92-M96 PolarHBondContact O-N 3.07Å; S92-V135 WeakPolarHBondContact OG-CB 3.47Å; S92-V135 VanDerWaalsContact OG-CG1 3.31Å; S92-V135 WeakPolarHBondContact OG-CG1 3.29Å; S92-V135 WeakPolarHBondContact OG-CG2 3.45Å
93	T	98.9	Very high	98.4	Very high	2 Å²	2	10.4 Å²	10.4	1%	0.012	5%	0.049	C	C	.	.	H	α-helix	trans	-64.8	-35.4	-179.1	56.4	0	0	0	0	112.9	A89 H90 M96 A97 L113 V115 V118 V135 I144	A89-T93 VanDerWaalsContact O-CB 3.31Å; A89-T93 WeakPolarHBondContact O-CB 3.3Å; A89-T93 VanDerWaalsContact O-CG2 3.28Å; A89-T93 WeakPolarHBondContact O-CG2 3.46Å; A89-T93 PolarHBondContact O-N 2.8Å; A89-T93 PolarHBondContact O-OG1 2.82Å; H90-T93 PolarHBondContact O-OG1 2.76Å; T93-M96 PolarHBondContact O-N 2.81Å; T93-A97 WeakPolarHBondContact O-CB 3.35Å; T93-A97 PolarHBondContact O-N 3.12Å; T93-L113 HydrophobicContact CG2-CB 4.5Å; T93-V115 WeakPolarHBondContact OG1-CG2 3.35Å; T93-V118 HydrophobicContact CG2-CG2 3.87Å; T93-V135 HydrophobicContact CG2-CG1 4.26Å; T93-I144 HydrophobicContact CG2-CD1 4.08Å
94	S	98.9	Very high	98.5	Very high	6 Å²	6	6.6 Å²	6.6	4%	0.042	3%	0.034	C	C	.	.	H	α-helix	trans	-68.6	-41.9	175.9	-52.4	0	0	0	0	111.2	H90 S92 M96 A97 D98 R255	H90-S94 WeakPolarHBondContact O-CB 3.38Å; H90-S94 PolarHBondContact O-N 3.19Å; H90-S94 PolarHBondContact O-OG 2.91Å; S92-S94 VanDerWaalsContact C-N 3.33Å; S92-S94 PolarHBondContact O-N 3.42Å; S94-M96 VanDerWaalsContact C-N 3.34Å; S94-M96 PolarHBondContact O-N 3.14Å; S94-A97 PolarHBondContact O-N 2.84Å; S94-D98 PolarHBondContact O-N 3.17Å; S94-R255 VanDerWaalsContact CB-NH1 3.35Å; S94-R255 PolarHBondContact O-NH1 2.77Å
95	A	98.9	Very high	98.5	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-61.4	-42.9	173	0	0	0	0	0	111.4	G91 S92 D98 R99 W136 P206	G91-A95 VanDerWaalsContact O-CB 3.31Å; G91-A95 WeakPolarHBondContact O-CB 3.38Å; G91-A95 PolarHBondContact O-N 2.89Å; S92-A95 PolarHBondContact O-N 2.85Å; A95-D98 PolarHBondContact O-N 3.18Å; A95-R99 VanDerWaalsContact O-CG 3.3Å; A95-R99 WeakPolarHBondContact O-CG 3.39Å; A95-R99 PolarHBondContact O-N 2.84Å; A95-W136 HydrophobicContact CB-CH2 4.29Å; A95-W136 HydrophobicContact CB-CZ2 4.07Å; A95-P206 HydrophobicContact CB-CB 4.4Å
96	M	98.9	Very high	98.5	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.005	9%	0.088	C	C	.	.	H	α-helix	trans	-62.5	-45.1	177.2	-174.3	174.1	167.6	0	0	112.3	S92 T93 S94 D98 R99 I100 L113 W136 A139 I144 W183 V185 P296	S92-M96 WeakPolarHBondContact O-CB 3.44Å; S92-M96 PolarHBondContact O-N 3.07Å; T93-M96 PolarHBondContact O-N 2.81Å; S94-M96 VanDerWaalsContact C-N 3.34Å; S94-M96 PolarHBondContact O-N 3.14Å; M96-D98 PolarHBondContact O-N 2.96Å; M96-R99 PolarHBondContact O-N 2.94Å; M96-I100 HydrophobicContact CE-CD1 4.39Å; M96-I100 HydrophobicContact CG-CD1 4.26Å; M96-I100 WeakPolarHBondContact O-CG1 3.25Å; M96-I100 PolarHBondContact O-N 2.96Å; M96-L113 HydrophobicContact CB-CD1 3.89Å; M96-L113 HydrophobicContact CE-CD1 4.18Å; M96-L113 HydrophobicContact CG-CD1 3.73Å; M96-L113 HydrophobicContact SD-CD1 3.69Å; M96-W136 HydrophobicContact CB-CH2 3.63Å; M96-W136 HydrophobicContact CB-CZ3 3.62Å; M96-W136 HydrophobicContact CG-CH2 4.36Å; M96-W136 HydrophobicContact CG-CZ3 3.87Å; M96-W136 HydrophobicContact SD-CZ3 4.23Å; M96-A139 HydrophobicContact CE-CB 4.07Å; M96-A139 HydrophobicContact SD-CB 3.86Å; M96-I144 HydrophobicContact SD-CD1 4.04Å; M96-W183 HydrophobicContact CE-CB 3.76Å; M96-W183 VanDerWaalsContact CE-O 3.31Å; M96-W183 WeakPolarHBondContact CE-O 3.21Å; M96-V185 HydrophobicContact CE-CG1 3.66Å; M96-V185 HydrophobicContact CG-CG1 4.29Å; M96-V185 HydrophobicContact SD-CG1 3.9Å; M96-P296 HydrophobicContact CG-CG 4.5Å
97	A	98.9	Very high	98.4	Very high	2 Å²	2	18.2 Å²	18.2	2%	0.017	10%	0.104	C	C	.	.	H	α-helix	trans	-60.5	-44	176.6	0	0	0	0	0	111.7	T93 S94 R99 I100 N101 A111 L113	T93-A97 WeakPolarHBondContact O-CB 3.35Å; T93-A97 PolarHBondContact O-N 3.12Å; S94-A97 PolarHBondContact O-N 2.84Å; A97-R99 VanDerWaalsContact C-N 3.32Å; A97-R99 PolarHBondContact O-N 3.23Å; A97-I100 WeakPolarHBondContact O-CB 3.34Å; A97-I100 PolarHBondContact O-N 3.01Å; A97-N101 PolarHBondContact O-N 3.42Å; A97-A111 HydrophobicContact CB-CB 4.13Å; A97-L113 HydrophobicContact CB-CG 4.3Å
98	D	98.9	Very high	98.2	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61.3	-42.6	176.3	-63	-1.1	0	0	0	111.2	V72 S73 S94 A95 M96 I100 N101 I102 P206 R255	V72-D98 WeakPolarHBondContact CA-OD1 3.28Å; V72-D98 WeakPolarHBondContact CB-OD2 3.38Å; S73-D98 WeakPolarHBondContact CB-OD1 3.11Å; S73-D98 PolarHBondContact N-OD1 2.95Å; S73-D98 PolarHBondContact OG-OD1 3.11Å; S94-D98 PolarHBondContact O-N 3.17Å; A95-D98 PolarHBondContact O-N 3.18Å; M96-D98 PolarHBondContact O-N 2.96Å; D98-I100 VanDerWaalsContact C-N 3.32Å; D98-I100 PolarHBondContact O-N 3.1Å; D98-N101 WeakPolarHBondContact O-CB 3.35Å; D98-N101 PolarHBondContact O-N 2.92Å; D98-I102 WeakPolarHBondContact O-CD1 3.39Å; D98-I102 WeakPolarHBondContact O-CG1 3.16Å; D98-I102 PolarHBondContact O-N 2.69Å; D98-P206 HydrophobicContact CB-CB 4.37Å; D98-P206 HydrophobicContact CB-CG 3.72Å; D98-P206 WeakPolarHBondContact OD2-CG 3.19Å; D98-R255 IonicContact OD1-CZ 3.82Å; D98-R255 IonicContact OD1-NH1 3.24Å; D98-R255 PolarHBondContact OD1-NH1 3.41Å; D98-R255 VanDerWaalsContact OD1-NH1 3.13Å; D98-R255 IonicContact OD1-NH2 2.79Å; D98-R255 PolarHBondContact OD1-NH2 2.81Å; D98-R255 VanDerWaalsContact OD1-NH2 3.15Å; D98-R255 IonicContact OD2-CZ 3.55Å; D98-R255 IonicContact OD2-NH1 2.8Å; D98-R255 PolarHBondContact OD2-NH1 3.35Å; D98-R255 IonicContact OD2-NH2 2.9Å; D98-R255 PolarHBondContact OD2-NH2 3.38Å
99	R	98.9	Very high	98.1	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.008	16%	0.161	C	C	.	.	H	α-helix	trans	-62.7	-37.7	175.7	-69.7	-175.6	171	-125.9	-15.9	112.5	A95 M96 A97 I102 Q103 E200 R204 G205 P206 G294 D295 P296	A95-R99 VanDerWaalsContact O-CG 3.3Å; A95-R99 WeakPolarHBondContact O-CG 3.39Å; A95-R99 PolarHBondContact O-N 2.84Å; M96-R99 PolarHBondContact O-N 2.94Å; A97-R99 VanDerWaalsContact C-N 3.32Å; A97-R99 PolarHBondContact O-N 3.23Å; R99-I102 PolarHBondContact O-N 2.95Å; R99-Q103 WeakPolarHBondContact O-CG 3.18Å; R99-Q103 PolarHBondContact O-N 3.01Å; R99-E200 IonicContact CZ-OE1 3.28Å; R99-E200 IonicContact NH1-OE1 3.06Å; R99-E200 PolarHBondContact NH1-OE1 3.1Å; R99-E200 IonicContact NH2-OE1 2.65Å; R99-E200 PolarHBondContact NH2-OE1 2.63Å; R99-R204 WeakPolarHBondContact CG-O 3.48Å; R99-G205 PolarHBondContact NH2-O 3.47Å; R99-P206 PolarHBondContact NE-O 3.13Å; R99-P206 PolarHBondContact NH2-O 2.98Å; R99-G294 WeakPolarHBondContact CD-O 3.33Å; R99-G294 PolarHBondContact NH1-O 2.91Å; R99-D295 IonicContact NH1-OD1 3.31Å; R99-D295 PolarHBondContact NH1-OD1 3.04Å; R99-P296 HydrophobicContact CB-CG 3.53Å
100	I	98.8	Very high	98	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.3	-47.2	172.7	-67.7	161.5	0	0	0	109.9	M96 A97 D98 I102 Q103 R104 A111 L113 W183 P296 V298	M96-I100 HydrophobicContact CE-CD1 4.39Å; M96-I100 HydrophobicContact CG-CD1 4.26Å; M96-I100 WeakPolarHBondContact O-CG1 3.25Å; M96-I100 PolarHBondContact O-N 2.96Å; A97-I100 WeakPolarHBondContact O-CB 3.34Å; A97-I100 PolarHBondContact O-N 3.01Å; D98-I100 VanDerWaalsContact C-N 3.32Å; D98-I100 PolarHBondContact O-N 3.1Å; I100-I102 VanDerWaalsContact C-N 3.31Å; I100-I102 PolarHBondContact O-N 3.44Å; I100-Q103 PolarHBondContact O-N 2.74Å; I100-R104 HydrophobicContact CG2-CG 4.32Å; I100-R104 WeakPolarHBondContact O-CB 3.47Å; I100-R104 VanDerWaalsContact O-CG 3.27Å; I100-R104 WeakPolarHBondContact O-CG 3.15Å; I100-R104 PolarHBondContact O-N 3.39Å; I100-A111 HydrophobicContact CB-CB 3.87Å; I100-A111 HydrophobicContact CD1-CB 4.36Å; I100-A111 HydrophobicContact CG2-CB 3.67Å; I100-L113 HydrophobicContact CD1-CD1 4.38Å; I100-L113 HydrophobicContact CD1-CD2 4.31Å; I100-W183 HydrophobicContact CD1-CB 3.96Å; I100-W183 HydrophobicContact CD1-CD2 3.76Å; I100-W183 HydrophobicContact CD1-CE3 3.77Å; I100-W183 HydrophobicContact CD1-CG 3.86Å; I100-W183 HydrophobicContact CG1-CE3 4.1Å; I100-W183 HydrophobicContact CG2-CE3 4Å; I100-W183 HydrophobicContact CG2-CH2 3.88Å; I100-W183 HydrophobicContact CG2-CZ2 4.44Å; I100-W183 HydrophobicContact CG2-CZ3 3.64Å; I100-P296 HydrophobicContact CG1-CB 3.62Å; I100-P296 HydrophobicContact CG1-CG 3.88Å; I100-V298 HydrophobicContact CG2-CG2 4.25Å
101	N	98.7	Very high	98	Very high	5 Å²	5	35 Å²	35	3%	0.027	19%	0.185	C	C	.	.	H	α-helix	trans	-59.5	-41.3	178.2	-72	-20.2	0	0	0	112.6	F71 A97 D98 R104 K105 G106 S110 A111	F71-N101 WeakPolarHBondContact O-CB 3.4Å; F71-N101 PolarHBondContact O-ND2 2.89Å; A97-N101 PolarHBondContact O-N 3.42Å; D98-N101 WeakPolarHBondContact O-CB 3.35Å; D98-N101 PolarHBondContact O-N 2.92Å; N101-R104 CarbonylContact O-C 3.51Å; N101-R104 PolarHBondContact O-N 3.45Å; N101-K105 PolarHBondContact O-N 2.93Å; N101-K105 VanDerWaalsContact O-N 3.1Å; N101-G106 PolarHBondContact O-N 3.43Å; N101-S110 PolarHBondContact ND2-OG 2.83Å; N101-A111 WeakPolarHBondContact OD1-CB 3.15Å; N101-A111 PolarHBondContact OD1-N 2.79Å
102	I	98.6	Very high	97.9	Very high	29 Å²	29	38.3 Å²	38.3	15%	0.149	20%	0.197	C	C	.	.	H	α-helix	trans	-61.9	-51.3	176.6	-67.7	163.1	0	0	0	110.4	W63 F71 D98 R99 I100 R104 K105 G205	W63-I102 HydrophobicContact CD2-CD1 3.44Å; W63-I102 VanDerWaalsContact CD2-CD1 3.44Å; W63-I102 HydrophobicContact CD2-CG1 4.12Å; W63-I102 HydrophobicContact CE3-CD1 3.46Å; W63-I102 VanDerWaalsContact CE3-CD1 3.46Å; W63-I102 HydrophobicContact CE3-CG1 3.58Å; W63-I102 HydrophobicContact CG-CD1 4.03Å; W63-I102 HydrophobicContact CH2-CD1 3.92Å; W63-I102 HydrophobicContact CH2-CG1 4.1Å; W63-I102 HydrophobicContact CH2-CG2 3.61Å; W63-I102 HydrophobicContact CZ2-CD1 3.9Å; W63-I102 HydrophobicContact CZ2-CG2 4.37Å; W63-I102 HydrophobicContact CZ3-CB 4.29Å; W63-I102 HydrophobicContact CZ3-CD1 3.71Å; W63-I102 HydrophobicContact CZ3-CG1 3.58Å; W63-I102 HydrophobicContact CZ3-CG2 3.73Å; F71-I102 HydrophobicContact CB-CG1 3.71Å; F71-I102 HydrophobicContact CD1-CG1 4.09Å; F71-I102 HydrophobicContact CG-CG1 3.96Å; D98-I102 WeakPolarHBondContact O-CD1 3.39Å; D98-I102 WeakPolarHBondContact O-CG1 3.16Å; D98-I102 PolarHBondContact O-N 2.69Å; R99-I102 PolarHBondContact O-N 2.95Å; I100-I102 VanDerWaalsContact C-N 3.31Å; I100-I102 PolarHBondContact O-N 3.44Å; I102-R104 PolarHBondContact O-N 2.91Å; I102-K105 PolarHBondContact O-N 3.44Å; I102-G205 VanDerWaalsContact CD1-CA 3.48Å
103	Q	97.9	Very high	97.9	Very high	74 Å²	74	38.3 Å²	38.3	35%	0.346	20%	0.197	S	C	.	.	H	α-helix	trans	-61.1	-35.8	178.9	-74	-169.9	12.8	0	0	112.3	R99 I100 K105 P296 V298 L303	R99-Q103 WeakPolarHBondContact O-CG 3.18Å; R99-Q103 PolarHBondContact O-N 3.01Å; I100-Q103 PolarHBondContact O-N 2.74Å; Q103-K105 PolarHBondContact O-N 3.18Å; Q103-P296 PolarHBondContact NE2-O 3.13Å; Q103-P296 PolarHBondContact OE1-O 3.34Å; Q103-P296 VanDerWaalsContact OE1-O 3.07Å; Q103-V298 HydrophobicContact CB-CG2 3.96Å; Q103-L303 VanDerWaalsContact O-CD2 3.25Å; Q103-L303 WeakPolarHBondContact O-CD2 3.11Å
104	R	97.6	Very high	97.9	Very high	8 Å²	8	38.2 Å²	38.2	3%	0.03	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	7.1	176.6	-65.8	-176.4	62.4	-119.6	-5.9	114.1	I100 N101 I102 G106 A107 W108 P109 V298 Y302	I100-R104 HydrophobicContact CG2-CG 4.32Å; I100-R104 WeakPolarHBondContact O-CB 3.47Å; I100-R104 VanDerWaalsContact O-CG 3.27Å; I100-R104 WeakPolarHBondContact O-CG 3.15Å; I100-R104 PolarHBondContact O-N 3.39Å; N101-R104 CarbonylContact O-C 3.51Å; N101-R104 PolarHBondContact O-N 3.45Å; I102-R104 PolarHBondContact O-N 2.91Å; R104-G106 PolarHBondContact O-N 3.19Å; R104-G106 VanDerWaalsContact O-N 3.1Å; R104-A107 PolarHBondContact NH1-O 3.01Å; R104-A107 VanDerWaalsContact NH1-O 3.13Å; R104-A107 PolarHBondContact NH2-O 2.82Å; R104-A107 WeakPolarHBondContact O-CB 3.34Å; R104-A107 PolarHBondContact O-N 3.25Å; R104-W108 PolarHBondContact NH2-O 3.16Å; R104-P109 PolarHBondContact NH1-O 2.74Å; R104-V298 HydrophobicContact CG-CG1 3.56Å; R104-V298 HydrophobicContact CG-CG2 4.28Å; R104-Y302 WeakPolarHBondContact CG-O 3.12Å; R104-Y302 PolarHBondContact NE-O 3.48Å
105	K	97.1	Very high	97.9	Very high	164 Å²	164	38 Å²	38	71%	0.713	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	33.5	178.1	-53.1	176.3	-175.6	168.5	0	113.2	N101 I102 Q103 A107	N101-K105 PolarHBondContact O-N 2.93Å; N101-K105 VanDerWaalsContact O-N 3.1Å; I102-K105 PolarHBondContact O-N 3.44Å; Q103-K105 PolarHBondContact O-N 3.18Å; K105-A107 PolarHBondContact O-N 2.97Å
106	G	96.3	Very high	97.9	Very high	41 Å²	41	38 Å²	38	42%	0.423	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	14.2	-179.4	0	0	0	0	0	114.5	N101 R104	N101-G106 PolarHBondContact O-N 3.43Å; R104-G106 PolarHBondContact O-N 3.19Å; R104-G106 VanDerWaalsContact O-N 3.1Å
107	A	96.3	Very high	97.9	Very high	41 Å²	41	38 Å²	38	34%	0.339	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-63.7	142.4	177.7	0	0	0	0	0	112	R104 K105	R104-A107 PolarHBondContact NH1-O 3.01Å; R104-A107 VanDerWaalsContact NH1-O 3.13Å; R104-A107 PolarHBondContact NH2-O 2.82Å; R104-A107 WeakPolarHBondContact O-CB 3.34Å; R104-A107 PolarHBondContact O-N 3.25Å; K105-A107 PolarHBondContact O-N 2.97Å
108	W	95	Very high	97.9	Very high	227 Å²	227	37.9 Å²	37.9	86%	0.86	19%	0.194	S	C	*	.	S	Bend	trans	-62.9	144.3	174.6	179.2	90.9	0	0	0	111.4	R104	R104-W108 PolarHBondContact NH2-O 3.16Å
109	P	95.5	Very high	97.9	Very high	53 Å²	53	38.4 Å²	38.4	34%	0.344	20%	0.196	S	C	.	.	S	Bend	cis	-79.8	152.8	-6.2	32.3	-34.4	0	0	0	112.3	R104 A111	R104-P109 PolarHBondContact NH1-O 2.74Å; P109-A111 PolarHBondContact O-N 3.18Å
110	S	97.4	Very high	97.9	Very high	70 Å²	70	39 Å²	39	49%	0.49	20%	0.199	S	C	.	.	P	Polyproline II helix	trans	-64.8	136.8	169.6	-174.6	0	0	0	0	109.7	N101	N101-S110 PolarHBondContact ND2-OG 2.83Å
111	A	97.9	Very high	97.9	Very high	4 Å²	4	39.8 Å²	39.8	3%	0.033	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-66.7	134.3	179	0	0	0	0	0	111	A97 I100 N101 P109	A97-A111 HydrophobicContact CB-CB 4.13Å; I100-A111 HydrophobicContact CB-CB 3.87Å; I100-A111 HydrophobicContact CD1-CB 4.36Å; I100-A111 HydrophobicContact CG2-CB 3.67Å; N101-A111 WeakPolarHBondContact OD1-CB 3.15Å; N101-A111 PolarHBondContact OD1-N 2.79Å; P109-A111 PolarHBondContact O-N 3.18Å
112	Y	98.1	Very high	97.8	Very high	74 Å²	74	39.7 Å²	39.7	29%	0.29	21%	0.206	S	C	.	.			trans	-147.4	103.8	177.2	-167.4	-136.8	0	0	0	109.3	T74 R76 D146 E147	T74-Y112 HydrophobicContact CG2-CD2 4.02Å; T74-Y112 HydrophobicContact CG2-CE2 3.43Å; T74-Y112 VanDerWaalsContact CG2-CE2 3.43Å; R76-Y112 HydrophobicContact CG-CE2 4Å; R76-Y112 VanDerWaalsContact CZ-OH 3.3Å; R76-Y112 PolarHBondContact NE-OH 3.48Å; Y112-D146 CarbonylContact O-C 3.52Å; Y112-D146 WeakPolarHBondContact O-CA 3.21Å; Y112-E147 HydrophobicContact CD1-CB 3.36Å; Y112-E147 HydrophobicContact CD1-CG 3.67Å; Y112-E147 HydrophobicContact CE1-CB 3.71Å; Y112-E147 HydrophobicContact CE1-CG 3.44Å; Y112-E147 VanDerWaalsContact CE1-CG 3.44Å; Y112-E147 HydrophobicContact CG-CB 4.04Å; Y112-E147 PolarHBondContact O-N 3.03Å
113	L	98.8	Very high	97.7	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.01	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-90.1	147.3	-170	-58	-179	0	0	0	112.1	R76 T93 M96 A97 I100 V115 I144 P145 W183	R76-L113 PolarHBondContact NH1-O 2.89Å; T93-L113 HydrophobicContact CG2-CB 4.5Å; M96-L113 HydrophobicContact CB-CD1 3.89Å; M96-L113 HydrophobicContact CE-CD1 4.18Å; M96-L113 HydrophobicContact CG-CD1 3.73Å; M96-L113 HydrophobicContact SD-CD1 3.69Å; A97-L113 HydrophobicContact CB-CG 4.3Å; I100-L113 HydrophobicContact CD1-CD1 4.38Å; I100-L113 HydrophobicContact CD1-CD2 4.31Å; L113-V115 PolarHBondContact O-N 2.85Å; L113-I144 HydrophobicContact CB-CG2 3.95Å; L113-I144 HydrophobicContact CD1-CG2 4.4Å; L113-P145 WeakPolarHBondContact CA-O 3.3Å; L113-W183 HydrophobicContact CD2-CB 4.09Å; L113-W183 HydrophobicContact CD2-CG 3.81Å
114	S	98.9	Very high	97.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.228	C	C	.	.			trans	-72.1	107.3	178.2	178.1	0	0	0	0	111.6	Q116 H117 V118 P145 D146 E147 N150	S114-Q116 VanDerWaalsContact C-N 3.32Å; S114-H117 VanDerWaalsContact OG-CB 3.28Å; S114-H117 WeakPolarHBondContact OG-CB 3.39Å; S114-H117 PolarHBondContact OG-N 3.28Å; S114-V118 PolarHBondContact O-N 2.87Å; S114-P145 PolarHBondContact N-O 2.8Å; S114-D146 WeakPolarHBondContact CB-O 3.35Å; S114-E147 WeakPolarHBondContact CA-OE2 3.25Å; S114-N150 PolarHBondContact OG-O 2.75Å
115	V	98.9	Very high	97.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-67.5	-37.1	170.3	169.6	0	0	0	0	110.7	A89 T93 L113 H117 V118 I119 Y152	A89-V115 HydrophobicContact CB-CG1 3.87Å; T93-V115 WeakPolarHBondContact OG1-CG2 3.35Å; L113-V115 PolarHBondContact O-N 2.85Å; V115-H117 VanDerWaalsContact C-N 3.33Å; V115-H117 PolarHBondContact O-N 2.9Å; V115-V118 WeakPolarHBondContact O-CB 3.5Å; V115-V118 PolarHBondContact O-N 3.48Å; V115-V118 VanDerWaalsContact O-N 3.13Å; V115-I119 HydrophobicContact CG1-CD1 3.84Å; V115-I119 HydrophobicContact CG1-CG1 4.33Å; V115-I119 WeakPolarHBondContact O-CG1 3.44Å; V115-I119 PolarHBondContact O-N 3.03Å; V115-Y152 HydrophobicContact CB-CD2 4.07Å; V115-Y152 HydrophobicContact CG1-CD2 3.77Å; V115-Y152 HydrophobicContact CG1-CE2 3.78Å
116	Q	98.9	Very high	97.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.8	-38.9	-179	-165	60.5	55.3	0	0	111.8	S114 V118 I119 D120 N150 N151 Q153 K155	S114-Q116 VanDerWaalsContact C-N 3.32Å; Q116-V118 VanDerWaalsContact C-N 3.29Å; Q116-V118 PolarHBondContact O-N 2.04Å; Q116-I119 PolarHBondContact O-N 2.9Å; Q116-D120 PolarHBondContact NE2-OD1 3.02Å; Q116-D120 WeakPolarHBondContact O-CB 3.4Å; Q116-D120 PolarHBondContact O-N 3.05Å; Q116-N150 HydrophobicContact CB-CB 4.33Å; Q116-N150 VanDerWaalsContact CG-OD1 3.27Å; Q116-N150 WeakPolarHBondContact CG-OD1 3.24Å; Q116-N151 WeakPolarHBondContact CB-O 3.09Å; Q116-Q153 HydrophobicContact CG-CB 4.48Å; Q116-Q153 HydrophobicContact CG-CG 4.4Å; Q116-K155 PolarHBondContact NE2-O 3.04Å
117	H	98.9	Very high	97.7	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-57.9	-43.3	172.7	179.2	101.3	0	0	0	111.7	S114 V115 D120 C121 Y138 P145 E164	S114-H117 VanDerWaalsContact OG-CB 3.28Å; S114-H117 WeakPolarHBondContact OG-CB 3.39Å; S114-H117 PolarHBondContact OG-N 3.28Å; V115-H117 VanDerWaalsContact C-N 3.33Å; V115-H117 PolarHBondContact O-N 2.9Å; H117-D120 PolarHBondContact O-N 2.8Å; H117-C121 WeakPolarHBondContact O-CB 3.11Å; H117-C121 PolarHBondContact O-N 3.2Å; H117-Y138 AromaticContact CD2-CE1 3.93Å; H117-Y138 AromaticContact NE2-CE1 3.71Å; H117-Y138 AromaticContact NE2-CZ 3.81Å; H117-Y138 PolarHBondContact NE2-OH 3.02Å; H117-P145 HydrophobicContact CB-CG 3.87Å; H117-P145 WeakPolarHBondContact CD2-CD 3.48Å; H117-P145 VanDerWaalsContact CG-CD 3.41Å; H117-P145 VanDerWaalsContact CG-CG 3.48Å; H117-P145 WeakPolarHBondContact ND1-CG 3.27Å; H117-E164 WeakPolarHBondContact ND1-CA 3.34Å; H117-E164 PolarHBondContact ND1-O 2.82Å
118	V	98.8	Very high	97.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-65.1	-40.1	178	175.1	0	0	0	0	111.6	W88 A89 T93 S114 V115 Q116 G122 V135 I144	W88-V118 HydrophobicContact CH2-CG1 4.08Å; W88-V118 HydrophobicContact CZ3-CG1 3.67Å; A89-V118 HydrophobicContact CB-CB 4.44Å; A89-V118 HydrophobicContact CB-CG1 3.98Å; T93-V118 HydrophobicContact CG2-CG2 3.87Å; S114-V118 PolarHBondContact O-N 2.87Å; V115-V118 WeakPolarHBondContact O-CB 3.5Å; V115-V118 PolarHBondContact O-N 3.48Å; V115-V118 VanDerWaalsContact O-N 3.13Å; Q116-V118 VanDerWaalsContact C-N 3.29Å; Q116-V118 PolarHBondContact O-N 2.04Å; V118-G122 VanDerWaalsContact O-CA 3.25Å; V118-G122 WeakPolarHBondContact O-CA 3.19Å; V118-G122 PolarHBondContact O-N 2.78Å; V118-V135 HydrophobicContact CG1-CB 4.43Å; V118-V135 HydrophobicContact CG1-CG1 3.92Å; V118-V135 HydrophobicContact CG1-CG2 3.8Å; V118-V135 HydrophobicContact CG2-CG1 4.38Å; V118-I144 HydrophobicContact CG2-CD1 3.73Å; V118-I144 HydrophobicContact CG2-CG1 4.02Å; V118-I144 HydrophobicContact CG2-CG2 3.84Å
119	I	98.8	Very high	97.7	Very high	11 Å²	11	29.9 Å²	29.9	6%	0.056	18%	0.175	C	C	.	.	H	α-helix	trans	-62.6	-46.3	174.9	-68.1	167.3	0	0	0	110.6	W88 A89 V115 Q116 Y152	W88-I119 HydrophobicContact CH2-CG1 4.39Å; W88-I119 HydrophobicContact CZ2-CG1 4.16Å; A89-I119 HydrophobicContact CB-CG1 4.49Å; V115-I119 HydrophobicContact CG1-CD1 3.84Å; V115-I119 HydrophobicContact CG1-CG1 4.33Å; V115-I119 WeakPolarHBondContact O-CG1 3.44Å; V115-I119 PolarHBondContact O-N 3.03Å; Q116-I119 PolarHBondContact O-N 2.9Å; I119-Y152 HydrophobicContact CD1-CD2 4.4Å; I119-Y152 HydrophobicContact CD1-CE2 3.74Å
120	D	98.8	Very high	97.8	Very high	14 Å²	14	27.5 Å²	27.5	8%	0.075	16%	0.16	C	C	.	.	H	α-helix	trans	-75.1	-39.1	-173	-62.9	-11.1	0	0	0	111.9	Q116 H117 N150 Q157 C159 N163	Q116-D120 PolarHBondContact NE2-OD1 3.02Å; Q116-D120 WeakPolarHBondContact O-CB 3.4Å; Q116-D120 PolarHBondContact O-N 3.05Å; H117-D120 PolarHBondContact O-N 2.8Å; D120-N150 PolarHBondContact OD2-ND2 2.88Å; D120-Q157 WeakPolarHBondContact OD1-CB 3.2Å; D120-Q157 PolarHBondContact OD2-NE2 2.95Å; D120-C159 VanDerWaalsContact O-CB 3.26Å; D120-C159 WeakPolarHBondContact O-CB 3.47Å; D120-C159 PolarHBondContact O-N 3.03Å; D120-N163 HydrophobicContact CB-CB 4.41Å
121	C	98.6	Very high	97.8	Very high	17 Å²	17	24.2 Å²	24.2	12%	0.115	14%	0.137	C	C	.	.	H	α-helix	trans	-125.7	-8.5	-164.4	-64.6	0	0	0	0	115.3	H117 D123 Y138 C159	H117-C121 WeakPolarHBondContact O-CB 3.11Å; H117-C121 PolarHBondContact O-N 3.2Å; C121-D123 VanDerWaalsContact C-N 3.33Å; C121-D123 PolarHBondContact O-N 2.77Å; C121-Y138 WeakPolarHBondContact O-CE2 3.44Å; C121-C159 HydrophobicContact CB-CB 3.93Å; C121-C159 WeakPolarHBondContact CB-SG 3.35Å; C121-C159 VanDerWaalsContact SG-CA 3.55Å; C121-C159 WeakPolarHBondContact SG-CB 3.17Å; C121-C159 CovalentContact SG-SG 2.05Å; C121-C159 PolarHBondContact SG-SG 2.87Å
122	G	97.5	Very high	97.8	Very high	4 Å²	4	24 Å²	24	4%	0.041	14%	0.135	C	C	.	.	S	Bend	trans	-77	-13.1	-169.9	0	0	0	0	0	115.6	V118 A124	V118-G122 VanDerWaalsContact O-CA 3.25Å; V118-G122 WeakPolarHBondContact O-CA 3.19Å; V118-G122 PolarHBondContact O-N 2.78Å; G122-A124 PolarHBondContact O-N 3.44Å; G122-A124 VanDerWaalsContact O-N 3.1Å
123	D	95.2	Very high	97.8	Very high	171 Å²	171	20.9 Å²	20.9	91%	0.914	12%	0.124	S	C	*	.	S	Bend	trans	46	36.7	-170.9	-162.8	32.6	0	0	0	113	C121	C121-D123 VanDerWaalsContact C-N 3.33Å; C121-D123 PolarHBondContact O-N 2.77Å
124	A	96.4	Very high	97.8	Very high	7 Å²	7	21.5 Å²	21.5	6%	0.058	13%	0.13	C	C	.	.	S	Bend	trans	-121.6	0.6	-172.3	0	0	0	0	0	113.1	W88 G122 G130 D131 V135	W88-A124 HydrophobicContact CE3-CB 4.22Å; W88-A124 HydrophobicContact CH2-CB 4.32Å; W88-A124 HydrophobicContact CZ3-CB 3.57Å; G122-A124 PolarHBondContact O-N 3.44Å; G122-A124 VanDerWaalsContact O-N 3.1Å; A124-G130 WeakPolarHBondContact O-CA 3.27Å; A124-D131 PolarHBondContact O-N 2.87Å; A124-V135 HydrophobicContact CB-CG2 3.97Å
125	G	97.3	Very high	97.7	Very high	30 Å²	30	21.6 Å²	21.6	31%	0.309	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	149.6	-168.5	-178.9	0	0	0	0	0	112.6	G129	G125-G129 WeakPolarHBondContact CA-O 3.42Å
126	S	97.9	Very high	97.7	Very high	35 Å²	35	21.6 Å²	21.6	25%	0.245	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	-170.2	176.3	73.4	0	0	0	0	110.2	W88 H128 G129 D156	W88-S126 PolarHBondContact NE1-O 3.39Å; S126-H128 PolarHBondContact O-N 3.07Å; S126-H128 WeakPolarHBondContact OG-CB 3.32Å; S126-H128 PolarHBondContact OG-N 3.24Å; S126-G129 PolarHBondContact N-O 3.44Å; S126-G129 PolarHBondContact O-N 3.02Å; S126-D156 VanDerWaalsContact CB-OD1 3.25Å; S126-D156 WeakPolarHBondContact CB-OD1 3.33Å
127	C	97.4	Very high	97.7	Very high	11 Å²	11	24.4 Å²	24.4	7%	0.074	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-7.4	167	-75.9	0	0	0	0	113.8	C84 G85 G129 K155 D156	C84-C127 HydrophobicContact CB-CB 3.82Å; C84-C127 WeakPolarHBondContact CB-SG 3.27Å; C84-C127 WeakPolarHBondContact SG-CA 3.42Å; C84-C127 WeakPolarHBondContact SG-CB 3.48Å; C84-C127 CovalentContact SG-SG 2.04Å; C84-C127 PolarHBondContact SG-SG 3.23Å; G85-C127 VanDerWaalsContact CA-O 3.31Å; G85-C127 WeakPolarHBondContact CA-O 3.46Å; G85-C127 PolarHBondContact N-O 3.1Å; C127-G129 VanDerWaalsContact C-N 3.33Å; C127-K155 WeakPolarHBondContact SG-CA 3.35Å; C127-K155 PolarHBondContact SG-N 3.36Å; C127-K155 VanDerWaalsContact SG-N 3.45Å; C127-D156 WeakPolarHBondContact CB-OD1 3.22Å; C127-D156 PolarHBondContact N-OD1 3.03Å
128	H	95.8	Very high	97.6	Very high	118 Å²	118	25.7 Å²	25.7	55%	0.546	15%	0.149	S	C	.	.	B	Isolated β-bridge	trans	-99.7	17.5	175.4	-53.5	84.9	0	0	0	112.1	S126 D156	S126-H128 PolarHBondContact O-N 3.07Å; S126-H128 WeakPolarHBondContact OG-CB 3.32Å; S126-H128 PolarHBondContact OG-N 3.24Å; H128-D156 IonicContact CE1-OD2 3.05Å; H128-D156 PolarHBondContact CE1-OD2 3.32Å; H128-D156 IonicContact ND1-OD2 2.98Å; H128-D156 PolarHBondContact ND1-OD2 2.74Å
129	G	96.7	Very high	97.6	Very high	6 Å²	6	25.7 Å²	25.7	6%	0.062	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	106.9	164.7	177.9	0	0	0	0	0	113.6	C30 G85 G125 S126 C127	C30-G129 VanDerWaalsContact O-CA 3.26Å; C30-G129 WeakPolarHBondContact O-CA 3.46Å; G85-G129 PolarHBondContact O-N 3.2Å; G125-G129 WeakPolarHBondContact CA-O 3.42Å; S126-G129 PolarHBondContact N-O 3.44Å; S126-G129 PolarHBondContact O-N 3.02Å; C127-G129 VanDerWaalsContact C-N 3.33Å
130	G	97.5	Very high	97.6	Very high	3 Å²	3	27.3 Å²	27.3	3%	0.031	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.9	-175.4	-175.4	0	0	0	0	0	112.6	C30 Y31 V32 W88 A124	C30-G130 PolarHBondContact O-N 2.93Å; Y31-G130 WeakPolarHBondContact CD2-O 3.1Å; V32-G130 PolarHBondContact N-O 3.08Å; V32-G130 CarbonylContact O-C 3.34Å; W88-G130 WeakPolarHBondContact CB-O 3.22Å; A124-G130 WeakPolarHBondContact O-CA 3.27Å
131	D	97.4	Very high	97.5	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	17%	0.173	C	C	.	.			trans	-124.7	124.5	-174.3	-164	-46.4	0	0	0	110.4	Y31 R33 T34 A124 S133 G134	Y31-D131 HydrophobicContact CE2-CB 4.44Å; R33-D131 WeakPolarHBondContact CA-OD2 3.31Å; T34-D131 PolarHBondContact N-OD2 2.77Å; A124-D131 PolarHBondContact O-N 2.87Å; D131-S133 PolarHBondContact O-N 3.44Å; D131-S133 VanDerWaalsContact O-N 3.08Å; D131-S133 VanDerWaalsContact OD1-CB 3.22Å; D131-S133 WeakPolarHBondContact OD1-CB 3.43Å; D131-S133 PolarHBondContact OD1-N 2.55Å; D131-S133 PolarHBondContact OD1-OG 2.92Å; D131-G134 PolarHBondContact O-N 3.5Å
132	H	98.1	Very high	97.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-59.9	-21.5	178.9	62.9	179.9	0	0	0	113.5	V135 W136 S208 I237 D290 M292	H132-V135 PolarHBondContact O-N 2.77Å; H132-W136 PolarHBondContact O-N 2.84Å; H132-S208 PolarHBondContact CE1-O 2.78Å; H132-S208 PolarHBondContact ND1-O 2.64Å; H132-S208 PolarHBondContact ND1-OG 2.95Å; H132-I237 HydrophobicContact CB-CG1 4.38Å; H132-I237 HydrophobicContact CB-CG2 4.11Å; H132-D290 PolarHBondContact CE1-O 2.79Å; H132-D290 IonicContact NE2-OD2 3.97Å; H132-M292 VanDerWaalsContact CD2-CG 3.48Å; H132-M292 WeakPolarHBondContact CD2-CG 3.19Å; H132-M292 VanDerWaalsContact NE2-CG 3.28Å; H132-M292 WeakPolarHBondContact NE2-CG 3.08Å
133	S	97.6	Very high	97.6	Very high	8 Å²	8	33.7 Å²	33.7	6%	0.056	19%	0.191	C	C	.	.	H	α-helix	trans	-69.1	-37.9	179.6	62.7	0	0	0	0	112	F40 D131 V135 W136 E137	F40-S133 VanDerWaalsContact CZ-CB 3.45Å; D131-S133 PolarHBondContact O-N 3.44Å; D131-S133 VanDerWaalsContact O-N 3.08Å; D131-S133 VanDerWaalsContact OD1-CB 3.22Å; D131-S133 WeakPolarHBondContact OD1-CB 3.43Å; D131-S133 PolarHBondContact OD1-N 2.55Å; D131-S133 PolarHBondContact OD1-OG 2.92Å; S133-V135 VanDerWaalsContact C-N 3.28Å; S133-V135 PolarHBondContact O-N 3.06Å; S133-W136 PolarHBondContact O-N 2.61Å; S133-E137 PolarHBondContact O-N 2.78Å; S133-E137 VanDerWaalsContact O-N 3.11Å
134	G	97.4	Very high	97.7	Very high	14 Å²	14	25.6 Å²	25.6	14%	0.144	15%	0.147	C	C	.	.	H	α-helix	trans	-62.9	-34.8	174.3	0	0	0	0	0	112.1	D131 W136 E137 Y138	D131-G134 PolarHBondContact O-N 3.5Å; G134-W136 PolarHBondContact O-N 3.49Å; G134-E137 PolarHBondContact O-N 3.06Å; G134-Y138 VanDerWaalsContact O-CB 3.29Å; G134-Y138 WeakPolarHBondContact O-CB 3.19Å; G134-Y138 PolarHBondContact O-N 3.46Å
135	V	98.6	Very high	97.8	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.012	14%	0.144	C	C	.	.	H	α-helix	trans	-65.3	-41.6	178.1	-172.9	0	0	0	0	111.8	W88 S92 T93 V118 A124 H132 S133 Y138 A139 I144	W88-V135 HydrophobicContact CE3-CG2 3.49Å; W88-V135 VanDerWaalsContact CE3-CG2 3.49Å; W88-V135 HydrophobicContact CZ3-CG2 3.58Å; S92-V135 WeakPolarHBondContact OG-CB 3.47Å; S92-V135 VanDerWaalsContact OG-CG1 3.31Å; S92-V135 WeakPolarHBondContact OG-CG1 3.29Å; S92-V135 WeakPolarHBondContact OG-CG2 3.45Å; T93-V135 HydrophobicContact CG2-CG1 4.26Å; V118-V135 HydrophobicContact CG1-CB 4.43Å; V118-V135 HydrophobicContact CG1-CG1 3.92Å; V118-V135 HydrophobicContact CG1-CG2 3.8Å; V118-V135 HydrophobicContact CG2-CG1 4.38Å; A124-V135 HydrophobicContact CB-CG2 3.97Å; H132-V135 PolarHBondContact O-N 2.77Å; S133-V135 VanDerWaalsContact C-N 3.28Å; S133-V135 PolarHBondContact O-N 3.06Å; V135-Y138 PolarHBondContact O-N 3.18Å; V135-A139 WeakPolarHBondContact O-CB 3.43Å; V135-A139 PolarHBondContact O-N 3.49Å; V135-I144 HydrophobicContact CG1-CD1 3.84Å
136	W	98.6	Very high	97.9	Very high	1 Å²	1	26 Å²	26	0%	0.004	14%	0.141	C	C	.	.	H	α-helix	trans	-70	-37.2	177	-64.5	110.6	0	0	0	112.3	A95 M96 H132 S133 G134 A139 N140 V185 Y188 S208 M292	A95-W136 HydrophobicContact CB-CH2 4.29Å; A95-W136 HydrophobicContact CB-CZ2 4.07Å; M96-W136 HydrophobicContact CB-CH2 3.63Å; M96-W136 HydrophobicContact CB-CZ3 3.62Å; M96-W136 HydrophobicContact CG-CH2 4.36Å; M96-W136 HydrophobicContact CG-CZ3 3.87Å; M96-W136 HydrophobicContact SD-CZ3 4.23Å; H132-W136 PolarHBondContact O-N 2.84Å; S133-W136 PolarHBondContact O-N 2.61Å; G134-W136 PolarHBondContact O-N 3.49Å; W136-A139 PolarHBondContact O-N 3.02Å; W136-N140 WeakPolarHBondContact O-CB 3.36Å; W136-N140 PolarHBondContact O-N 3.38Å; W136-V185 HydrophobicContact CE3-CG1 4.13Å; W136-V185 HydrophobicContact CZ3-CG1 4.1Å; W136-Y188 HydrophobicContact CB-CD2 3.81Å; W136-Y188 HydrophobicContact CB-CG 4.28Å; W136-S208 PolarHBondContact NE1-OG 3.25Å; W136-S208 VanDerWaalsContact NE1-OG 3.1Å; W136-M292 HydrophobicContact CG-CB 4.46Å
137	E	97.9	Very high	98	Very high	59 Å²	59	25 Å²	25	28%	0.276	13%	0.133	S	C	.	.	H	α-helix	trans	-63.7	-40.9	171.9	-177	172.8	-153.8	0	0	111.4	K37 S133 G134 N140 S141 Y188	K37-E137 IonicContact NZ-OE1 2.75Å; K37-E137 PolarHBondContact NZ-OE1 3.15Å; K37-E137 IonicContact NZ-OE2 2.82Å; S133-E137 PolarHBondContact O-N 2.78Å; S133-E137 VanDerWaalsContact O-N 3.11Å; G134-E137 PolarHBondContact O-N 3.06Å; E137-N140 PolarHBondContact O-N 3.31Å; E137-S141 PolarHBondContact O-N 2.69Å; E137-S141 PolarHBondContact O-OG 3.13Å; E137-Y188 HydrophobicContact CB-CE2 3.89Å
138	Y	98.3	Very high	98	Very high	28 Å²	28	29.7 Å²	29.7	11%	0.11	16%	0.161	C	C	.	.	H	α-helix	trans	-64.9	-45.8	175.3	-175.4	-102.4	0	0	0	112	H117 C121 G134 V135 N140 S141 H142 G143 I144	H117-Y138 AromaticContact CD2-CE1 3.93Å; H117-Y138 AromaticContact NE2-CE1 3.71Å; H117-Y138 AromaticContact NE2-CZ 3.81Å; H117-Y138 PolarHBondContact NE2-OH 3.02Å; C121-Y138 WeakPolarHBondContact O-CE2 3.44Å; G134-Y138 VanDerWaalsContact O-CB 3.29Å; G134-Y138 WeakPolarHBondContact O-CB 3.19Å; G134-Y138 PolarHBondContact O-N 3.46Å; V135-Y138 PolarHBondContact O-N 3.18Å; Y138-N140 PolarHBondContact O-N 3.15Å; Y138-S141 PolarHBondContact O-N 2.65Å; Y138-S141 PolarHBondContact O-OG 3.5Å; Y138-H142 HydrophobicContact CD2-CB 4.11Å; Y138-H142 AromaticContact CD2-ND1 3.87Å; Y138-H142 HydrophobicContact CE1-CB 4.3Å; Y138-H142 HydrophobicContact CE2-CB 3.72Å; Y138-H142 AromaticContact CE2-CG 3.74Å; Y138-H142 AromaticContact CE2-ND1 3.91Å; Y138-H142 WeakPolarHBondContact O-CA 3.15Å; Y138-H142 PolarHBondContact O-N 2.7Å; Y138-G143 WeakPolarHBondContact CE1-O 3.11Å; Y138-G143 PolarHBondContact O-N 2.7Å; Y138-I144 HydrophobicContact CD1-CG1 4.09Å; Y138-I144 HydrophobicContact CE1-CG1 4.38Å
139	A	98.7	Very high	98.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.3	-32.4	175.8	0	0	0	0	0	112.5	M96 V135 W136 G143 I144 K184 V185	M96-A139 HydrophobicContact CE-CB 4.07Å; M96-A139 HydrophobicContact SD-CB 3.86Å; V135-A139 WeakPolarHBondContact O-CB 3.43Å; V135-A139 PolarHBondContact O-N 3.49Å; W136-A139 PolarHBondContact O-N 3.02Å; A139-G143 WeakPolarHBondContact O-CA 3.47Å; A139-G143 PolarHBondContact O-N 3.2Å; A139-I144 HydrophobicContact CB-CD1 3.9Å; A139-I144 HydrophobicContact CB-CG1 4.13Å; A139-K184 VanDerWaalsContact O-CA 3.27Å; A139-K184 WeakPolarHBondContact O-CA 3.21Å; A139-V185 HydrophobicContact CB-CG1 4.14Å; A139-V185 HydrophobicContact CB-CG2 3.95Å; A139-V185 PolarHBondContact O-N 2.88Å
140	N	98.3	Very high	98.3	Very high	44 Å²	44	24.8 Å²	24.8	24%	0.235	14%	0.138	C	C	.	.	H	α-helix	trans	-71.4	-51.6	176.5	176.6	-100.6	0	0	0	111.7	W136 E137 Y138 V185 G186 Y188	W136-N140 WeakPolarHBondContact O-CB 3.36Å; W136-N140 PolarHBondContact O-N 3.38Å; E137-N140 PolarHBondContact O-N 3.31Å; Y138-N140 PolarHBondContact O-N 3.15Å; N140-V185 WeakPolarHBondContact CA-O 3.31Å; N140-V185 HydrophobicContact CB-CG2 3.82Å; N140-V185 PolarHBondContact ND2-O 3.33Å; N140-G186 PolarHBondContact ND2-O 3.27Å; N140-Y188 HydrophobicContact CB-CD1 3.78Å; N140-Y188 HydrophobicContact CB-CE1 3.65Å
141	S	97.3	Very high	98.3	Very high	57 Å²	57	29.4 Å²	29.4	40%	0.399	16%	0.162	S	C	.	.	H	α-helix	trans	-74.9	-44.4	-174	52	0	0	0	0	112.9	E137 Y138 K184	E137-S141 PolarHBondContact O-N 2.69Å; E137-S141 PolarHBondContact O-OG 3.13Å; Y138-S141 PolarHBondContact O-N 2.65Å; Y138-S141 PolarHBondContact O-OG 3.5Å; S141-K184 PolarHBondContact O-NZ 3.08Å
142	H	98	Very high	98.4	Very high	113 Å²	113	31 Å²	31	52%	0.523	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	-46.2	-172.2	-63.1	80.3	0	0	0	112.5	Y138 K184	Y138-H142 HydrophobicContact CD2-CB 4.11Å; Y138-H142 AromaticContact CD2-ND1 3.87Å; Y138-H142 HydrophobicContact CE1-CB 4.3Å; Y138-H142 HydrophobicContact CE2-CB 3.72Å; Y138-H142 AromaticContact CE2-CG 3.74Å; Y138-H142 AromaticContact CE2-ND1 3.91Å; Y138-H142 WeakPolarHBondContact O-CA 3.15Å; Y138-H142 PolarHBondContact O-N 2.7Å; H142-K184 WeakPolarHBondContact O-CE 3.45Å
143	G	98.4	Very high	98.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.181	C	C	.	.			trans	98.4	171.3	-173	0	0	0	0	0	112.7	Y138 A139 M182 W183	Y138-G143 WeakPolarHBondContact CE1-O 3.11Å; Y138-G143 PolarHBondContact O-N 2.7Å; A139-G143 WeakPolarHBondContact O-CA 3.47Å; A139-G143 PolarHBondContact O-N 3.2Å; G143-M182 VanDerWaalsContact C-CE 3.46Å; G143-M182 WeakPolarHBondContact O-CE 3.26Å; G143-W183 CarbonylContact C-O 3.5Å; G143-W183 WeakPolarHBondContact CA-O 3.35Å
144	I	98.9	Very high	98.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	131.2	-178.2	-57.6	174.4	0	0	0	108.8	T93 M96 L113 V118 V135 Y138 A139 W183	T93-I144 HydrophobicContact CG2-CD1 4.08Å; M96-I144 HydrophobicContact SD-CD1 4.04Å; L113-I144 HydrophobicContact CB-CG2 3.95Å; L113-I144 HydrophobicContact CD1-CG2 4.4Å; V118-I144 HydrophobicContact CG2-CD1 3.73Å; V118-I144 HydrophobicContact CG2-CG1 4.02Å; V118-I144 HydrophobicContact CG2-CG2 3.84Å; V135-I144 HydrophobicContact CG1-CD1 3.84Å; Y138-I144 HydrophobicContact CD1-CG1 4.09Å; Y138-I144 HydrophobicContact CE1-CG1 4.38Å; A139-I144 HydrophobicContact CB-CD1 3.9Å; A139-I144 HydrophobicContact CB-CG1 4.13Å; I144-W183 PolarHBondContact N-O 3.33Å; I144-W183 WeakPolarHBondContact O-CB 3.27Å; I144-W183 PolarHBondContact O-N 3.48Å
145	P	98.8	Very high	98.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	172.5	179.2	33.4	-34.7	0	0	0	112.4	L113 S114 H117 C149 Y180 T181 M182	L113-P145 WeakPolarHBondContact CA-O 3.3Å; S114-P145 PolarHBondContact N-O 2.8Å; H117-P145 HydrophobicContact CB-CG 3.87Å; H117-P145 WeakPolarHBondContact CD2-CD 3.48Å; H117-P145 VanDerWaalsContact CG-CD 3.41Å; H117-P145 VanDerWaalsContact CG-CG 3.48Å; H117-P145 WeakPolarHBondContact ND1-CG 3.27Å; P145-C149 HydrophobicContact CB-CB 3.85Å; P145-C149 HydrophobicContact CG-CB 4.03Å; P145-Y180 HydrophobicContact CB-CD2 3.86Å; P145-Y180 HydrophobicContact CB-CE2 4.03Å; P145-T181 WeakPolarHBondContact CA-O 3.35Å; P145-M182 HydrophobicContact CB-SD 3.82Å; P145-M182 HydrophobicContact CG-SD 4.2Å
146	D	98.7	Very high	98.5	Very high	46 Å²	46	39.4 Å²	39.4	25%	0.246	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-63	151.4	170	-171.9	-92.5	0	0	0	111.7	Y112 S114 T148 C149	Y112-D146 CarbonylContact O-C 3.52Å; Y112-D146 WeakPolarHBondContact O-CA 3.21Å; S114-D146 WeakPolarHBondContact CB-O 3.35Å; D146-T148 PolarHBondContact O-N 3.42Å; D146-T148 VanDerWaalsContact O-N 3.08Å; D146-T148 VanDerWaalsContact OD1-CB 3.31Å; D146-T148 WeakPolarHBondContact OD1-CB 3.44Å; D146-T148 VanDerWaalsContact OD1-CG2 3.28Å; D146-T148 WeakPolarHBondContact OD1-CG2 3.01Å; D146-T148 PolarHBondContact OD1-N 2.89Å; D146-T148 PolarHBondContact OD1-OG1 2.87Å; D146-C149 WeakPolarHBondContact O-CB 3.41Å; D146-C149 PolarHBondContact O-N 3.41Å
147	E	98.9	Very high	98.5	Very high	14 Å²	14	41.7 Å²	41.7	7%	0.065	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-51.2	-33.4	176.6	177.9	74	-174.3	0	0	112.4	R76 Y112 S114 C149 N150 N151 Y152	R76-E147 IonicContact CZ-OE2 3.29Å; R76-E147 VanDerWaalsContact CZ-OE2 3.29Å; R76-E147 IonicContact NH1-OE2 2.9Å; R76-E147 PolarHBondContact NH1-OE2 2.88Å; R76-E147 IonicContact NH2-OE1 2.97Å; R76-E147 PolarHBondContact NH2-OE1 2.65Å; R76-E147 IonicContact NH2-OE2 2.76Å; R76-E147 PolarHBondContact NH2-OE2 3.21Å; Y112-E147 HydrophobicContact CD1-CB 3.36Å; Y112-E147 HydrophobicContact CD1-CG 3.67Å; Y112-E147 HydrophobicContact CE1-CB 3.71Å; Y112-E147 HydrophobicContact CE1-CG 3.44Å; Y112-E147 VanDerWaalsContact CE1-CG 3.44Å; Y112-E147 HydrophobicContact CG-CB 4.04Å; Y112-E147 PolarHBondContact O-N 3.03Å; S114-E147 WeakPolarHBondContact CA-OE2 3.25Å; E147-C149 PolarHBondContact O-N 3.38Å; E147-N150 CarbonylContact O-C 3.5Å; E147-N150 PolarHBondContact O-N 2.86Å; E147-N150 VanDerWaalsContact O-N 3.17Å; E147-N151 PolarHBondContact O-N 3.38Å; E147-N151 PolarHBondContact O-ND2 3.48Å; E147-N151 WeakPolarHBondContact OE1-CA 3.48Å; E147-Y152 PolarHBondContact OE1-N 3.47Å
148	T	98.6	Very high	98.5	Very high	109 Å²	109	43.8 Å²	43.8	67%	0.669	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-65.1	-16.9	179.7	56.3	0	0	0	0	114	D146	D146-T148 PolarHBondContact O-N 3.42Å; D146-T148 VanDerWaalsContact O-N 3.08Å; D146-T148 VanDerWaalsContact OD1-CB 3.31Å; D146-T148 WeakPolarHBondContact OD1-CB 3.44Å; D146-T148 VanDerWaalsContact OD1-CG2 3.28Å; D146-T148 WeakPolarHBondContact OD1-CG2 3.01Å; D146-T148 PolarHBondContact OD1-N 2.89Å; D146-T148 PolarHBondContact OD1-OG1 2.87Å
149	C	98.8	Very high	98.5	Very high	9 Å²	9	45.5 Å²	45.5	6%	0.061	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-71.5	-35.4	173	-89	0	0	0	0	113.2	P145 D146 E147 C165 G166	P145-C149 HydrophobicContact CB-CB 3.85Å; P145-C149 HydrophobicContact CG-CB 4.03Å; D146-C149 WeakPolarHBondContact O-CB 3.41Å; D146-C149 PolarHBondContact O-N 3.41Å; E147-C149 PolarHBondContact O-N 3.38Å; C149-C165 WeakPolarHBondContact CA-SG 3.02Å; C149-C165 HydrophobicContact CB-CB 3.57Å; C149-C165 WeakPolarHBondContact CB-SG 3.08Å; C149-C165 WeakPolarHBondContact O-CA 3.23Å; C149-C165 WeakPolarHBondContact SG-CB 3.28Å; C149-C165 CovalentContact SG-SG 2.04Å; C149-C165 PolarHBondContact SG-SG 2.79Å; C149-G166 PolarHBondContact O-N 3.37Å
150	N	98.8	Very high	98.5	Very high	12 Å²	12	50.6 Å²	50.6	6%	0.064	27%	0.265	C	S	.	.	S	Bend	trans	-158.2	100.4	177.9	-172.2	-5.7	0	0	0	108.1	S114 Q116 D120 E147 Q153 N163	S114-N150 PolarHBondContact OG-O 2.75Å; Q116-N150 HydrophobicContact CB-CB 4.33Å; Q116-N150 VanDerWaalsContact CG-OD1 3.27Å; Q116-N150 WeakPolarHBondContact CG-OD1 3.24Å; D120-N150 PolarHBondContact OD2-ND2 2.88Å; E147-N150 CarbonylContact O-C 3.5Å; E147-N150 PolarHBondContact O-N 2.86Å; E147-N150 VanDerWaalsContact O-N 3.17Å; N150-Q153 PolarHBondContact OD1-NE2 3.25Å; N150-N163 PolarHBondContact ND2-O 3.49Å
151	N	98.9	Very high	98.5	Very high	100 Å²	100	52 Å²	52	54%	0.535	28%	0.276	S	S	.	.			trans	-65.1	151.7	-179.9	-65.5	167.2	0	0	0	110.5	Q116 E147 Q153	Q116-N151 WeakPolarHBondContact CB-O 3.09Å; E147-N151 PolarHBondContact O-N 3.38Å; E147-N151 PolarHBondContact O-ND2 3.48Å; E147-N151 WeakPolarHBondContact OE1-CA 3.48Å; N151-Q153 WeakPolarHBondContact O-CG 3.5Å; N151-Q153 PolarHBondContact O-N 3.22Å
152	Y	98.9	Very high	98.5	Very high	35 Å²	35	52.8 Å²	52.8	14%	0.137	27%	0.273	C	S	.	.			trans	-60.7	128.3	178.9	-172.2	-116	0	0	0	113.5	Q78 I80 C84 S86 H90 V115 I119 E147 A154	Q78-Y152 WeakPolarHBondContact CA-OH 3.5Å; Q78-Y152 PolarHBondContact O-OH 3.38Å; I80-Y152 VanDerWaalsContact O-CE1 3.3Å; I80-Y152 WeakPolarHBondContact O-CE1 3.32Å; C84-Y152 WeakPolarHBondContact CB-OH 3.24Å; S86-Y152 PolarHBondContact OG-OH 3.02Å; H90-Y152 AromaticContact CE1-CE2 3.6Å; H90-Y152 AromaticContact CE1-CZ 3.53Å; V115-Y152 HydrophobicContact CB-CD2 4.07Å; V115-Y152 HydrophobicContact CG1-CD2 3.77Å; V115-Y152 HydrophobicContact CG1-CE2 3.78Å; I119-Y152 HydrophobicContact CD1-CD2 4.4Å; I119-Y152 HydrophobicContact CD1-CE2 3.74Å; E147-Y152 PolarHBondContact OE1-N 3.47Å; Y152-A154 HydrophobicContact CD1-CB 4.4Å; Y152-A154 HydrophobicContact CE1-CB 3.58Å; Y152-A154 HydrophobicContact CE2-CB 4.45Å
153	Q	98.8	Very high	98.6	Very high	57 Å²	57	48.2 Å²	48.2	27%	0.266	25%	0.252	S	S	.	.			trans	-119.9	-6.6	-177.1	-59.9	175.5	57.3	0	0	113	Q116 N150 N151 K155	Q116-Q153 HydrophobicContact CG-CB 4.48Å; Q116-Q153 HydrophobicContact CG-CG 4.4Å; N150-Q153 PolarHBondContact OD1-NE2 3.25Å; N151-Q153 WeakPolarHBondContact O-CG 3.5Å; N151-Q153 PolarHBondContact O-N 3.22Å; Q153-K155 VanDerWaalsContact C-N 3.3Å; Q153-K155 HydrophobicContact CB-CD 4.23Å; Q153-K155 HydrophobicContact CB-CG 4.05Å; Q153-K155 PolarHBondContact O-N 2.94Å
154	A	98.5	Very high	98.6	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.268	C	S	.	.	S	Bend	trans	51.3	44.9	-178.1	0	0	0	0	0	113.6	Q82 C84 Y152	Q82-A154 HydrophobicContact CG-CB 4.06Å; Q82-A154 WeakPolarHBondContact CG-O 3.48Å; Q82-A154 PolarHBondContact NE2-O 3.39Å; Q82-A154 VanDerWaalsContact O-CB 3.32Å; Q82-A154 WeakPolarHBondContact O-CB 3.28Å; C84-A154 HydrophobicContact CB-CB 3.72Å; Y152-A154 HydrophobicContact CD1-CB 4.4Å; Y152-A154 HydrophobicContact CE1-CB 3.58Å; Y152-A154 HydrophobicContact CE2-CB 4.45Å
155	K	98.4	Very high	98.6	Very high	76 Å²	76	51.8 Å²	51.8	33%	0.33	27%	0.27	S	S	.	.	S	Bend	trans	-151.1	159.3	178.1	72.5	-172.4	-175.6	-169.2	0	111	Q116 C127 Q153 Q157	Q116-K155 PolarHBondContact NE2-O 3.04Å; C127-K155 WeakPolarHBondContact SG-CA 3.35Å; C127-K155 PolarHBondContact SG-N 3.36Å; C127-K155 VanDerWaalsContact SG-N 3.45Å; Q153-K155 VanDerWaalsContact C-N 3.3Å; Q153-K155 HydrophobicContact CB-CD 4.23Å; Q153-K155 HydrophobicContact CB-CG 4.05Å; Q153-K155 PolarHBondContact O-N 2.94Å; K155-Q157 HydrophobicContact CD-CG 4.38Å; K155-Q157 HydrophobicContact CG-CG 3.95Å
156	D	98.6	Very high	98.6	Very high	68 Å²	68	52.3 Å²	52.3	36%	0.364	28%	0.275	S	S	.	.			trans	-76.8	138.3	169.7	-63.7	-38.5	0	0	0	110.6	S126 C127 H128	S126-D156 VanDerWaalsContact CB-OD1 3.25Å; S126-D156 WeakPolarHBondContact CB-OD1 3.33Å; C127-D156 WeakPolarHBondContact CB-OD1 3.22Å; C127-D156 PolarHBondContact N-OD1 3.03Å; H128-D156 IonicContact CE1-OD2 3.05Å; H128-D156 PolarHBondContact CE1-OD2 3.32Å; H128-D156 IonicContact ND1-OD2 2.98Å; H128-D156 PolarHBondContact ND1-OD2 2.74Å
157	Q	98.6	Very high	98.5	Very high	48 Å²	48	53.4 Å²	53.4	22%	0.224	28%	0.283	C	S	.	.			trans	-140.9	157.4	171.4	-47.1	-176.9	104.2	0	0	110	D120 K155	D120-Q157 WeakPolarHBondContact OD1-CB 3.2Å; D120-Q157 PolarHBondContact OD2-NE2 2.95Å; K155-Q157 HydrophobicContact CD-CG 4.38Å; K155-Q157 HydrophobicContact CG-CG 3.95Å
158	D	98.1	Very high	98.5	Very high	103 Å²	103	55.9 Å²	55.9	55%	0.551	30%	0.301	S	S	*	.			trans	-67.2	144.2	169.7	-51.3	-46.9	0	0	0	110.6	K160 N163	D158-K160 HydrophobicContact CB-CD 4.37Å; D158-K160 HydrophobicContact CB-CG 4.18Å; D158-K160 PolarHBondContact O-N 3.1Å; D158-K160 VanDerWaalsContact OD2-CE 3.31Å; D158-K160 WeakPolarHBondContact OD2-CE 3.33Å; D158-K160 IonicContact OD2-NZ 2.73Å; D158-K160 PolarHBondContact OD2-NZ 3.37Å; D158-N163 PolarHBondContact O-ND2 2.85Å
159	C	98.3	Very high	98.3	Very high	64 Å²	64	55.5 Å²	55.5	43%	0.432	30%	0.299	S	S	.	.			trans	-68	94.2	166.1	-167.8	0	0	0	0	110.5	D120 C121	D120-C159 VanDerWaalsContact O-CB 3.26Å; D120-C159 WeakPolarHBondContact O-CB 3.47Å; D120-C159 PolarHBondContact O-N 3.03Å; C121-C159 HydrophobicContact CB-CB 3.93Å; C121-C159 WeakPolarHBondContact CB-SG 3.35Å; C121-C159 VanDerWaalsContact SG-CA 3.55Å; C121-C159 WeakPolarHBondContact SG-CB 3.17Å; C121-C159 CovalentContact SG-SG 2.05Å; C121-C159 PolarHBondContact SG-SG 2.87Å
160	K	98.1	Very high	98.1	Very high	108 Å²	108	59.3 Å²	59.3	47%	0.47	32%	0.322	S	S	.	.			trans	-108	154.6	173.1	-70.8	169.9	-177.8	145.8	0	108.8	D158 F162 N163 E164	D158-K160 HydrophobicContact CB-CD 4.37Å; D158-K160 HydrophobicContact CB-CG 4.18Å; D158-K160 PolarHBondContact O-N 3.1Å; D158-K160 VanDerWaalsContact OD2-CE 3.31Å; D158-K160 WeakPolarHBondContact OD2-CE 3.33Å; D158-K160 IonicContact OD2-NZ 2.73Å; D158-K160 PolarHBondContact OD2-NZ 3.37Å; K160-F162 PolarHBondContact O-N 3.36Å; K160-N163 WeakPolarHBondContact O-CA 3.45Å; K160-N163 WeakPolarHBondContact O-CB 3.39Å; K160-N163 PolarHBondContact O-N 2.82Å; K160-E164 PolarHBondContact O-N 2.82Å
161	P	98.1	Very high	97.9	Very high	72 Å²	72	68.7 Å²	68.7	47%	0.468	36%	0.363	S	S	.	.	H	α-helix	trans	-52.8	-31.8	178.7	-30.8	36.6	0	0	0	114.6	C165 I176	P161-C165 PolarHBondContact O-N 3.39Å; P161-I176 HydrophobicContact CB-CD1 3.67Å; P161-I176 HydrophobicContact CB-CG1 4.08Å; P161-I176 HydrophobicContact CB-CG2 4.14Å
162	F	98.5	Very high	97.7	Very high	75 Å²	75	67.3 Å²	67.3	33%	0.329	37%	0.372	S	S	.	.	H	α-helix	trans	-70.9	-33.4	174.8	-175.9	-94.8	0	0	0	113.3	K160 C165 G166 C174 I176	K160-F162 PolarHBondContact O-N 3.36Å; F162-C165 CarbonylContact O-C 3.51Å; F162-C165 VanDerWaalsContact O-C 3.29Å; F162-G166 WeakPolarHBondContact O-CA 3.37Å; F162-G166 PolarHBondContact O-N 3.02Å; F162-G166 VanDerWaalsContact O-N 3.11Å; F162-C174 HydrophobicContact CD2-CB 4.4Å; F162-C174 HydrophobicContact CE2-CB 3.67Å; F162-C174 HydrophobicContact CZ-CB 4.09Å; F162-I176 HydrophobicContact CB-CG1 4.27Å
163	N	98.5	Very high	97.6	Very high	17 Å²	17	68.9 Å²	68.9	9%	0.091	39%	0.385	C	S	.	.	H	α-helix	trans	-79.1	-22.7	176.9	-66	-13.6	0	0	0	111.9	D120 N150 D158 K160	D120-N163 HydrophobicContact CB-CB 4.41Å; N150-N163 PolarHBondContact ND2-O 3.49Å; D158-N163 PolarHBondContact O-ND2 2.85Å; K160-N163 WeakPolarHBondContact O-CA 3.45Å; K160-N163 WeakPolarHBondContact O-CB 3.39Å; K160-N163 PolarHBondContact O-N 2.82Å
164	E	98.4	Very high	97.5	Very high	71 Å²	71	69.3 Å²	69.3	33%	0.332	39%	0.394	S	S	.	.	H	α-helix	trans	-63.9	-53.6	168.7	-69.8	177.5	-132.2	0	0	110.8	H117 K160	H117-E164 WeakPolarHBondContact ND1-CA 3.34Å; H117-E164 PolarHBondContact ND1-O 2.82Å; K160-E164 PolarHBondContact O-N 2.82Å
165	C	98.8	Very high	97.5	Very high	4 Å²	4	73.3 Å²	73.3	3%	0.027	42%	0.415	C	S	.	.	S	Bend	trans	-160.5	122	166.5	-168.8	0	0	0	0	110.9	C149 P161 F162 V177 Y180	C149-C165 WeakPolarHBondContact CA-SG 3.02Å; C149-C165 HydrophobicContact CB-CB 3.57Å; C149-C165 WeakPolarHBondContact CB-SG 3.08Å; C149-C165 WeakPolarHBondContact O-CA 3.23Å; C149-C165 WeakPolarHBondContact SG-CB 3.28Å; C149-C165 CovalentContact SG-SG 2.04Å; C149-C165 PolarHBondContact SG-SG 2.79Å; P161-C165 PolarHBondContact O-N 3.39Å; F162-C165 CarbonylContact O-C 3.51Å; F162-C165 VanDerWaalsContact O-C 3.29Å; C165-V177 HydrophobicContact CB-CB 4.18Å; C165-V177 PolarHBondContact O-N 3.35Å; C165-Y180 HydrophobicContact CB-CD1 3.5Å; C165-Y180 HydrophobicContact CB-CD2 3.93Å; C165-Y180 HydrophobicContact CB-CE1 3.39Å; C165-Y180 HydrophobicContact CB-CE2 3.78Å; C165-Y180 HydrophobicContact CB-CG 3.78Å
166	G	98.4	Very high	97.5	Very high	11 Å²	11	74.1 Å²	74.1	11%	0.113	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	156.2	-172.9	0	0	0	0	0	113.2	C149 F162 N175	C149-G166 PolarHBondContact O-N 3.37Å; F162-G166 WeakPolarHBondContact O-CA 3.37Å; F162-G166 PolarHBondContact O-N 3.02Å; F162-G166 VanDerWaalsContact O-N 3.11Å; G166-N175 WeakPolarHBondContact CA-O 3.26Å
167	T	98.4	Very high	97.4	Very high	69 Å²	69	73.1 Å²	73.1	42%	0.423	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	145.8	172.8	-170.5	0	0	0	0	111.3	T169 C174 N175 V177	T167-T169 HydrophobicContact CG2-CG2 4.42Å; T167-C174 CarbonylContact O-C 3.54Å; T167-C174 WeakPolarHBondContact O-CA 3.4Å; T167-N175 PolarHBondContact N-O 3.29Å; T167-N175 PolarHBondContact O-N 3.41Å; T167-V177 HydrophobicContact CG2-CG2 4.07Å
168	C	97.4	Very high	97.3	Very high	65 Å²	65	80.1 Å²	80.1	44%	0.439	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	108.8	171.6	-54.8	0	0	0	0	109.1	V173 C174	C168-V173 CarbonylContact C-O 3.28Å; C168-V173 VanDerWaalsContact CA-O 3.22Å; C168-V173 WeakPolarHBondContact CA-O 3.37Å; C168-C174 HydrophobicContact CB-CB 4.1Å; C168-C174 WeakPolarHBondContact CB-SG 3.45Å; C168-C174 WeakPolarHBondContact SG-CB 3.34Å; C168-C174 CovalentContact SG-SG 2.05Å; C168-C174 PolarHBondContact SG-SG 2.82Å
169	T	94.6	Very high	97.3	Very high	101 Å²	101	82.4 Å²	82.4	62%	0.62	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	-24.3	-173.7	52.8	0	0	0	0	112.6	T167 V173	T167-T169 HydrophobicContact CG2-CG2 4.42Å; T169-V173 PolarHBondContact N-O 3.33Å; T169-V173 VanDerWaalsContact N-O 3.11Å
170	T	94.4	Very high	97.2	Very high	90 Å²	90	82 Å²	82	55%	0.552	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-154.9	173.8	174.1	-172.7	0	0	0	0	109.9	G172 V173	T170-G172 PolarHBondContact O-N 3.03Å; T170-V173 HydrophobicContact CG2-CB 3.66Å; T170-V173 HydrophobicContact CG2-CG2 3.6Å; T170-V173 PolarHBondContact O-N 3.46Å; T170-V173 VanDerWaalsContact O-N 3.07Å
171	F	95.6	Very high	97.1	Very high	209 Å²	209	79.5 Å²	79.5	92%	0.917	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	121	-178.5	-173.4	-97.8	0	0	0	111.4	V173	F171-V173 VanDerWaalsContact C-N 3.26Å; F171-V173 PolarHBondContact O-N 2.86Å
172	G	94.6	Very high	97.1	Very high	71 Å²	71	78.9 Å²	78.9	73%	0.732	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	1.3	179.4	0	0	0	0	0	115.8	T170	T170-G172 PolarHBondContact O-N 3.03Å
173	V	96.4	Very high	97.1	Very high	67 Å²	67	76.1 Å²	76.1	41%	0.406	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	101.7	179.6	-177.3	0	0	0	0	109.7	C168 T169 T170 F171	C168-V173 CarbonylContact C-O 3.28Å; C168-V173 VanDerWaalsContact CA-O 3.22Å; C168-V173 WeakPolarHBondContact CA-O 3.37Å; T169-V173 PolarHBondContact N-O 3.33Å; T169-V173 VanDerWaalsContact N-O 3.11Å; T170-V173 HydrophobicContact CG2-CB 3.66Å; T170-V173 HydrophobicContact CG2-CG2 3.6Å; T170-V173 PolarHBondContact O-N 3.46Å; T170-V173 VanDerWaalsContact O-N 3.07Å; F171-V173 VanDerWaalsContact C-N 3.26Å; F171-V173 PolarHBondContact O-N 2.86Å
174	C	97.6	Very high	97.1	Very high	67 Å²	67	79.3 Å²	79.3	45%	0.453	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	137.2	-178.7	-58.3	0	0	0	0	110.7	F162 T167 C168	F162-C174 HydrophobicContact CD2-CB 4.4Å; F162-C174 HydrophobicContact CE2-CB 3.67Å; F162-C174 HydrophobicContact CZ-CB 4.09Å; T167-C174 CarbonylContact O-C 3.54Å; T167-C174 WeakPolarHBondContact O-CA 3.4Å; C168-C174 HydrophobicContact CB-CB 4.1Å; C168-C174 WeakPolarHBondContact CB-SG 3.45Å; C168-C174 WeakPolarHBondContact SG-CB 3.34Å; C168-C174 CovalentContact SG-SG 2.05Å; C168-C174 PolarHBondContact SG-SG 2.82Å
175	N	97.4	Very high	97.1	Very high	84 Å²	84	76 Å²	76	45%	0.449	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	144.5	-175.6	-61.8	-72.7	0	0	0	110.4	G166 T167	G166-N175 WeakPolarHBondContact CA-O 3.26Å; T167-N175 PolarHBondContact N-O 3.29Å; T167-N175 PolarHBondContact O-N 3.41Å
176	I	98.1	Very high	97.1	Very high	93 Å²	93	76.6 Å²	76.6	48%	0.477	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	130.1	169.9	-61.2	155.6	0	0	0	108	P161 F162	P161-I176 HydrophobicContact CB-CD1 3.67Å; P161-I176 HydrophobicContact CB-CG1 4.08Å; P161-I176 HydrophobicContact CB-CG2 4.14Å; F162-I176 HydrophobicContact CB-CG1 4.27Å
177	V	98.1	Very high	97.1	Very high	46 Å²	46	76.7 Å²	76.7	28%	0.279	43%	0.426	S	S	.	.			trans	-85	121.3	172.9	-176.6	0	0	0	0	107.4	C165 T167 Y180	C165-V177 HydrophobicContact CB-CB 4.18Å; C165-V177 PolarHBondContact O-N 3.35Å; T167-V177 HydrophobicContact CG2-CG2 4.07Å; V177-Y180 HydrophobicContact CB-CD1 4.32Å; V177-Y180 HydrophobicContact CG1-CD1 4.08Å; V177-Y180 VanDerWaalsContact O-CD1 3.27Å; V177-Y180 WeakPolarHBondContact O-CD1 3.49Å; V177-Y180 WeakPolarHBondContact O-CE1 3.35Å
178	K	96	Very high	97.1	Very high	196 Å²	196	74.1 Å²	74.1	85%	0.852	41%	0.408	S	S	*	.			trans	-90.5	-25.3	-174	-66.1	-173.4	178.4	-177.4	0	114.5
179	N	96.9	Very high	97.1	Very high	151 Å²	151	71.2 Å²	71.2	81%	0.807	39%	0.39	S	S	*	.	S	Bend	trans	-130	109.5	-177.2	-171.4	14	0	0	0	108.6
180	Y	96.8	Very high	97.2	Very high	55 Å²	55	69.8 Å²	69.8	22%	0.216	38%	0.384	C	S	.	.			trans	-147.6	154.6	-177.5	51.1	-86.7	0	0	0	109	P145 C165 V177 M182	P145-Y180 HydrophobicContact CB-CD2 3.86Å; P145-Y180 HydrophobicContact CB-CE2 4.03Å; C165-Y180 HydrophobicContact CB-CD1 3.5Å; C165-Y180 HydrophobicContact CB-CD2 3.93Å; C165-Y180 HydrophobicContact CB-CE1 3.39Å; C165-Y180 HydrophobicContact CB-CE2 3.78Å; C165-Y180 HydrophobicContact CB-CG 3.78Å; V177-Y180 HydrophobicContact CB-CD1 4.32Å; V177-Y180 HydrophobicContact CG1-CD1 4.08Å; V177-Y180 VanDerWaalsContact O-CD1 3.27Å; V177-Y180 WeakPolarHBondContact O-CD1 3.49Å; V177-Y180 WeakPolarHBondContact O-CE1 3.35Å; Y180-M182 HydrophobicContact CD2-CG 4.21Å; Y180-M182 HydrophobicContact CD2-SD 3.89Å; Y180-M182 HydrophobicContact CE2-CG 4.04Å; Y180-M182 HydrophobicContact CE2-SD 3.44Å; Y180-M182 WeakPolarHBondContact CE2-SD 3.48Å; Y180-M182 PolarHBondContact O-N 3.11Å
181	T	96.4	Very high	97.4	Very high	55 Å²	55	65.8 Å²	65.8	34%	0.337	36%	0.359	S	S	.	.			trans	-66.5	130.1	-179.6	-58.7	0	0	0	0	110.1	P145 W183 Y302	P145-T181 WeakPolarHBondContact CA-O 3.35Å; T181-W183 HydrophobicContact CG2-CD2 4.23Å; T181-W183 HydrophobicContact CG2-CG 4.47Å; T181-W183 HydrophobicContact CG2-CZ2 4.18Å; T181-Y302 PolarHBondContact OG1-OH 3.48Å
182	M	97.4	Very high	97.5	Very high	60 Å²	60	58.4 Å²	58.4	30%	0.296	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	110	170.8	-70.7	-64.6	-84.1	0	0	108.7	G143 P145 Y180 K184	G143-M182 VanDerWaalsContact C-CE 3.46Å; G143-M182 WeakPolarHBondContact O-CE 3.26Å; P145-M182 HydrophobicContact CB-SD 3.82Å; P145-M182 HydrophobicContact CG-SD 4.2Å; Y180-M182 HydrophobicContact CD2-CG 4.21Å; Y180-M182 HydrophobicContact CD2-SD 3.89Å; Y180-M182 HydrophobicContact CE2-CG 4.04Å; Y180-M182 HydrophobicContact CE2-SD 3.44Å; Y180-M182 WeakPolarHBondContact CE2-SD 3.48Å; Y180-M182 PolarHBondContact O-N 3.11Å; M182-K184 PolarHBondContact O-N 3.44Å
183	W	98.3	Very high	97.7	Very high	16 Å²	16	56.6 Å²	56.6	6%	0.061	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	120.5	177.4	-63.3	97.3	0	0	0	109.3	M96 I100 L113 G143 I144 T181 V298 Y302	M96-W183 HydrophobicContact CE-CB 3.76Å; M96-W183 VanDerWaalsContact CE-O 3.31Å; M96-W183 WeakPolarHBondContact CE-O 3.21Å; I100-W183 HydrophobicContact CD1-CB 3.96Å; I100-W183 HydrophobicContact CD1-CD2 3.76Å; I100-W183 HydrophobicContact CD1-CE3 3.77Å; I100-W183 HydrophobicContact CD1-CG 3.86Å; I100-W183 HydrophobicContact CG1-CE3 4.1Å; I100-W183 HydrophobicContact CG2-CE3 4Å; I100-W183 HydrophobicContact CG2-CH2 3.88Å; I100-W183 HydrophobicContact CG2-CZ2 4.44Å; I100-W183 HydrophobicContact CG2-CZ3 3.64Å; L113-W183 HydrophobicContact CD2-CB 4.09Å; L113-W183 HydrophobicContact CD2-CG 3.81Å; G143-W183 CarbonylContact C-O 3.5Å; G143-W183 WeakPolarHBondContact CA-O 3.35Å; I144-W183 PolarHBondContact N-O 3.33Å; I144-W183 WeakPolarHBondContact O-CB 3.27Å; I144-W183 PolarHBondContact O-N 3.48Å; T181-W183 HydrophobicContact CG2-CD2 4.23Å; T181-W183 HydrophobicContact CG2-CG 4.47Å; T181-W183 HydrophobicContact CG2-CZ2 4.18Å; W183-V298 HydrophobicContact CZ3-CG2 4.25Å; W183-Y302 AromaticContact CH2-CD1 3.75Å; W183-Y302 HydrophobicContact CH2-CD1 3.75Å; W183-Y302 AromaticContact CH2-CE1 3.98Å; W183-Y302 HydrophobicContact CH2-CE1 3.98Å; W183-Y302 HydrophobicContact CH2-CG 4.1Å; W183-Y302 HydrophobicContact CZ2-CD1 4.35Å; W183-Y302 HydrophobicContact CZ2-CE1 4.16Å
184	K	98.6	Very high	97.8	Very high	84 Å²	84	55.7 Å²	55.7	37%	0.365	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	160.5	179.1	-68.9	-167.1	170.6	-157.3	0	111.8	A139 S141 H142 M182 P296 I297	A139-K184 VanDerWaalsContact O-CA 3.27Å; A139-K184 WeakPolarHBondContact O-CA 3.21Å; S141-K184 PolarHBondContact O-NZ 3.08Å; H142-K184 WeakPolarHBondContact O-CE 3.45Å; M182-K184 PolarHBondContact O-N 3.44Å; K184-P296 WeakPolarHBondContact O-CA 3.38Å; K184-I297 HydrophobicContact CB-CD1 4.22Å; K184-I297 PolarHBondContact O-N 3.03Å
185	V	98.6	Very high	97.9	Very high	1 Å²	1	58 Å²	58	1%	0.006	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	147.3	166.6	-55.9	0	0	0	0	110.9	M96 W136 A139 N140 D295	M96-V185 HydrophobicContact CE-CG1 3.66Å; M96-V185 HydrophobicContact CG-CG1 4.29Å; M96-V185 HydrophobicContact SD-CG1 3.9Å; W136-V185 HydrophobicContact CE3-CG1 4.13Å; W136-V185 HydrophobicContact CZ3-CG1 4.1Å; A139-V185 HydrophobicContact CB-CG1 4.14Å; A139-V185 HydrophobicContact CB-CG2 3.95Å; A139-V185 PolarHBondContact O-N 2.88Å; N140-V185 WeakPolarHBondContact CA-O 3.31Å; N140-V185 HydrophobicContact CB-CG2 3.82Å; N140-V185 PolarHBondContact ND2-O 3.33Å; V185-D295 CarbonylContact C-O 3.59Å; V185-D295 VanDerWaalsContact CA-O 3.25Å; V185-D295 WeakPolarHBondContact CA-O 3.49Å; V185-D295 WeakPolarHBondContact CB-O 3.22Å
186	G	98.4	Very high	97.9	Very high	18 Å²	18	58.7 Å²	58.7	19%	0.186	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	-112	169	0	0	0	0	0	109.7	N140 D295	N140-G186 PolarHBondContact ND2-O 3.27Å; G186-D295 PolarHBondContact N-O 2.94Å
187	D	98.4	Very high	98	Very high	12 Å²	12	54.2 Å²	54.2	6%	0.064	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	138.4	174.3	-78.3	15.2	0	0	0	111.6	L42 R43 T44 G45 G294 D295	L42-D187 CarbonylContact O-C 3.57Å; L42-D187 WeakPolarHBondContact O-CA 3.46Å; L42-D187 WeakPolarHBondContact O-CB 3.31Å; R43-D187 WeakPolarHBondContact CA-OD2 3.42Å; T44-D187 WeakPolarHBondContact CB-OD1 3.27Å; T44-D187 WeakPolarHBondContact CG2-OD1 3.36Å; T44-D187 PolarHBondContact N-OD1 3.42Å; T44-D187 PolarHBondContact N-OD2 2.85Å; T44-D187 VanDerWaalsContact OG1-CG 3.31Å; T44-D187 PolarHBondContact OG1-OD1 2.74Å; T44-D187 PolarHBondContact OG1-OD2 2.87Å; G45-D187 PolarHBondContact N-OD2 2.86Å; D187-G294 CarbonylContact O-C 3.17Å; D187-G294 WeakPolarHBondContact O-CA 3.14Å; D187-D295 HydrophobicContact CB-CB 4.48Å; D187-D295 PolarHBondContact O-N 2.92Å
188	Y	98.6	Very high	98	Very high	15 Å²	15	52.4 Å²	52.4	6%	0.059	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	154	175.1	72.8	-79.6	0	0	0	110	F40 G41 L42 W136 E137 N140 Y293	F40-Y188 HydrophobicContact CD2-CE2 4.37Å; F40-Y188 HydrophobicContact CE2-CD2 4.35Å; F40-Y188 AromaticContact CE2-CE2 3.76Å; F40-Y188 HydrophobicContact CE2-CE2 3.76Å; F40-Y188 HydrophobicContact CZ-CD2 4.12Å; F40-Y188 AromaticContact CZ-CE2 3.97Å; F40-Y188 HydrophobicContact CZ-CE2 3.97Å; G41-Y188 CarbonylContact C-O 3.48Å; G41-Y188 WeakPolarHBondContact CA-O 3.36Å; L42-Y188 HydrophobicContact CB-CD1 3.75Å; L42-Y188 HydrophobicContact CB-CE1 3.63Å; L42-Y188 PolarHBondContact N-O 2.82Å; L42-Y188 PolarHBondContact O-N 3.43Å; L42-Y188 VanDerWaalsContact O-O 3.09Å; W136-Y188 HydrophobicContact CB-CD2 3.81Å; W136-Y188 HydrophobicContact CB-CG 4.28Å; E137-Y188 HydrophobicContact CB-CE2 3.89Å; N140-Y188 HydrophobicContact CB-CD1 3.78Å; N140-Y188 HydrophobicContact CB-CE1 3.65Å; Y188-Y293 VanDerWaalsContact CA-O 3.24Å; Y188-Y293 WeakPolarHBondContact CA-O 3.26Å; Y188-Y293 VanDerWaalsContact CB-O 3.32Å; Y188-Y293 WeakPolarHBondContact CB-O 3.46Å
189	G	97.9	Very high	98.1	Very high	5 Å²	5	43.1 Å²	43.1	5%	0.052	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.3	-170.6	179.5	0	0	0	0	0	113.7	M292 Y293	G189-M292 WeakPolarHBondContact O-CA 3.07Å; G189-Y293 PolarHBondContact N-O 2.9Å; G189-Y293 WeakPolarHBondContact O-CD1 3.25Å; G189-Y293 WeakPolarHBondContact O-CE1 3.31Å; G189-Y293 PolarHBondContact O-N 3.07Å
190	S	97.2	Very high	98.2	Very high	71 Å²	71	35.9 Å²	35.9	50%	0.497	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	146.7	-178.7	58.4	0	0	0	0	112.9	C291	S190-C291 CarbonylContact C-O 3.26Å; S190-C291 VanDerWaalsContact CA-O 3.22Å; S190-C291 WeakPolarHBondContact CA-O 3.09Å
191	V	98.1	Very high	98.3	Very high	6 Å²	6	33.3 Å²	33.3	4%	0.036	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	140.6	168.6	64.8	0	0	0	0	108.6	K196 E200 I207 C291 Y293	V191-K196 HydrophobicContact CG2-CB 3.57Å; V191-E200 HydrophobicContact CG1-CG 4.42Å; V191-E200 HydrophobicContact CG2-CB 4.33Å; V191-I207 HydrophobicContact CG1-CD1 3.92Å; V191-I207 HydrophobicContact CG1-CG2 4.36Å; V191-C291 HydrophobicContact CG1-CB 3.81Å; V191-C291 PolarHBondContact N-O 2.58Å; V191-C291 CarbonylContact O-C 3.38Å; V191-C291 WeakPolarHBondContact O-CA 3.17Å; V191-C291 WeakPolarHBondContact O-CB 3.07Å; V191-C291 PolarHBondContact O-N 2.87Å; V191-C291 VanDerWaalsContact O-N 3.07Å; V191-C291 VanDerWaalsContact O-O 3.11Å; V191-Y293 HydrophobicContact CB-CD1 4.05Å; V191-Y293 HydrophobicContact CB-CE1 4.32Å; V191-Y293 HydrophobicContact CG1-CD1 4.07Å
192	S	98.4	Very high	98.5	Very high	54 Å²	54	34.6 Å²	34.6	38%	0.378	18%	0.183	S	C	.	.			trans	-151.5	159.1	179.6	61.1	0	0	0	0	111	K196 E288 E289	S192-K196 WeakPolarHBondContact O-CB 3.33Å; S192-K196 WeakPolarHBondContact O-CD 3.35Å; S192-E288 WeakPolarHBondContact CA-O 3.27Å; S192-E288 WeakPolarHBondContact CB-O 3.4Å; S192-E289 WeakPolarHBondContact CB-O 3.41Å
193	G	98.7	Very high	98.5	Very high	32 Å²	32	33.8 Å²	33.8	33%	0.33	19%	0.186	S	C	.	.	S	Bend	trans	78.4	141.6	-174.1	0	0	0	0	0	112.6	E195 K196 M197 E288	G193-E195 PolarHBondContact O-N 3.48Å; G193-K196 PolarHBondContact O-N 3.09Å; G193-M197 WeakPolarHBondContact O-CG 3.48Å; G193-M197 PolarHBondContact O-N 3.25Å; G193-E288 PolarHBondContact N-O 3.08Å
194	R	98.7	Very high	98.5	Very high	49 Å²	49	37 Å²	37	19%	0.185	20%	0.198	C	C	.	.	H	α-helix	trans	-43.2	-53.4	-175.8	174.4	179.7	172.2	-71.9	-9.4	114.9	K196 M197 M198 E250 W252 S273 E288	R194-K196 PolarHBondContact O-N 2.82Å; R194-M197 PolarHBondContact O-N 2.77Å; R194-M198 HydrophobicContact CG-CG 4.46Å; R194-M198 HydrophobicContact CG-SD 3.96Å; R194-M198 VanDerWaalsContact O-CG 3.28Å; R194-M198 WeakPolarHBondContact O-CG 3.4Å; R194-M198 PolarHBondContact O-N 3.04Å; R194-E250 IonicContact CZ-OE1 3.86Å; R194-E250 VanDerWaalsContact CZ-OE1 3.28Å; R194-E250 IonicContact CZ-OE2 3.37Å; R194-E250 IonicContact NE-OE1 3.81Å; R194-E250 PolarHBondContact NE-OE1 3.03Å; R194-E250 IonicContact NE-OE2 2.74Å; R194-E250 VanDerWaalsContact NH2-CD 3.26Å; R194-E250 IonicContact NH2-OE1 3.18Å; R194-E250 PolarHBondContact NH2-OE1 2.85Å; R194-E250 IonicContact NH2-OE2 3.76Å; R194-E250 PolarHBondContact NH2-OE2 3.44Å; R194-W252 HydrophobicContact CB-CZ2 4.05Å; R194-W252 HydrophobicContact CG-CH2 4.28Å; R194-W252 HydrophobicContact CG-CZ2 3.88Å; R194-S273 VanDerWaalsContact CB-OG 3.31Å; R194-S273 WeakPolarHBondContact CB-OG 3.12Å; R194-S273 WeakPolarHBondContact CD-OG 3.43Å; R194-E288 WeakPolarHBondContact CB-OE2 3.36Å; R194-E288 PolarHBondContact N-OE2 2.75Å
195	E	98.5	Very high	98.5	Very high	114 Å²	114	33 Å²	33	53%	0.533	18%	0.18	S	C	.	.	H	α-helix	trans	-63.7	-44.9	-173.9	-61.5	-171.7	163.4	0	0	112.7	I54 G193 M197 M198 A199	I54-E195 HydrophobicContact CD1-CB 4.04Å; I54-E195 WeakPolarHBondContact CD1-O 3.29Å; I54-E195 HydrophobicContact CG1-CB 4.01Å; I54-E195 HydrophobicContact CG1-CG 4.49Å; I54-E195 HydrophobicContact CG2-CB 4.2Å; I54-E195 HydrophobicContact CG2-CG 4.03Å; G193-E195 PolarHBondContact O-N 3.48Å; E195-M197 VanDerWaalsContact C-N 3.34Å; E195-M198 PolarHBondContact O-N 2.76Å; E195-A199 PolarHBondContact O-N 3.41Å
196	K	98.8	Very high	98.5	Very high	99 Å²	99	32.9 Å²	32.9	43%	0.43	18%	0.18	S	C	.	.	H	α-helix	trans	-69	-36.8	179.8	-60	-177.1	-179	171.2	0	111.4	H49 V191 S192 G193 R194 E200	H49-K196 HydrophobicContact CB-CB 4.16Å; H49-K196 HydrophobicContact CB-CG 3.96Å; V191-K196 HydrophobicContact CG2-CB 3.57Å; S192-K196 WeakPolarHBondContact O-CB 3.33Å; S192-K196 WeakPolarHBondContact O-CD 3.35Å; G193-K196 PolarHBondContact O-N 3.09Å; R194-K196 PolarHBondContact O-N 2.82Å; K196-E200 WeakPolarHBondContact O-CB 3.49Å; K196-E200 PolarHBondContact O-N 3.17Å
197	M	98.9	Very high	98.6	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.5	-48.3	173.4	-68.6	166.1	62.5	0	0	111.4	G193 R194 E195 A199 E200 I201 I207 V240 W252 E288	G193-M197 WeakPolarHBondContact O-CG 3.48Å; G193-M197 PolarHBondContact O-N 3.25Å; R194-M197 PolarHBondContact O-N 2.77Å; E195-M197 VanDerWaalsContact C-N 3.34Å; M197-A199 VanDerWaalsContact C-N 3.34Å; M197-A199 PolarHBondContact O-N 2.93Å; M197-E200 PolarHBondContact O-N 2.93Å; M197-I201 HydrophobicContact CB-CD1 4.44Å; M197-I201 WeakPolarHBondContact O-CB 3.22Å; M197-I201 WeakPolarHBondContact O-CD1 3.49Å; M197-I201 WeakPolarHBondContact O-CG1 3.43Å; M197-I201 PolarHBondContact O-N 3.47Å; M197-I207 HydrophobicContact CB-CD1 3.98Å; M197-I207 HydrophobicContact CE-CD1 4.28Å; M197-I207 HydrophobicContact CG-CD1 3.82Å; M197-V240 HydrophobicContact CE-CG2 4.46Å; M197-W252 HydrophobicContact CB-CH2 3.84Å; M197-W252 HydrophobicContact CB-CZ2 4.4Å; M197-W252 HydrophobicContact CB-CZ3 4.48Å; M197-W252 HydrophobicContact CE-CD2 4.47Å; M197-W252 HydrophobicContact CE-CH2 4.15Å; M197-W252 HydrophobicContact CE-CZ2 3.92Å; M197-W252 HydrophobicContact SD-CZ2 4.35Å; M197-E288 HydrophobicContact CE-CG 4.12Å; M197-E288 VanDerWaalsContact SD-CA 3.58Å; M197-E288 HydrophobicContact SD-CB 3.8Å; M197-E288 HydrophobicContact SD-CG 3.82Å
198	M	98.9	Very high	98.6	Very high	8 Å²	8	31.5 Å²	31.5	4%	0.039	17%	0.168	C	C	.	.	H	α-helix	trans	-57.6	-47.6	177.6	-69.3	175.5	92.3	0	0	111.2	L57 R194 E195 E200 I201 Y202 W243 W252	L57-M198 HydrophobicContact CD1-CB 3.79Å; R194-M198 HydrophobicContact CG-CG 4.46Å; R194-M198 HydrophobicContact CG-SD 3.96Å; R194-M198 VanDerWaalsContact O-CG 3.28Å; R194-M198 WeakPolarHBondContact O-CG 3.4Å; R194-M198 PolarHBondContact O-N 3.04Å; E195-M198 PolarHBondContact O-N 2.76Å; M198-E200 PolarHBondContact O-N 3.28Å; M198-I201 PolarHBondContact O-N 3.48Å; M198-Y202 VanDerWaalsContact O-CB 3.26Å; M198-Y202 WeakPolarHBondContact O-CB 3.33Å; M198-Y202 PolarHBondContact O-N 2.63Å; M198-W243 HydrophobicContact CB-CE3 4.34Å; M198-W243 HydrophobicContact CB-CH2 3.74Å; M198-W243 HydrophobicContact CB-CZ2 4.29Å; M198-W243 HydrophobicContact CB-CZ3 3.84Å; M198-W243 HydrophobicContact CE-CD2 3.71Å; M198-W243 HydrophobicContact CE-CE3 4.45Å; M198-W243 HydrophobicContact CE-CG 3.91Å; M198-W243 HydrophobicContact CE-CH2 4.29Å; M198-W243 HydrophobicContact CE-CZ2 3.62Å; M198-W243 VanDerWaalsContact CE-NE1 3.26Å; M198-W243 HydrophobicContact CG-CD2 4.2Å; M198-W243 HydrophobicContact CG-CE3 4.06Å; M198-W243 HydrophobicContact CG-CH2 4.19Å; M198-W243 HydrophobicContact CG-CZ2 4.43Å; M198-W243 HydrophobicContact CG-CZ3 4.07Å; M198-W243 WeakPolarHBondContact O-CH2 2.97Å; M198-W243 WeakPolarHBondContact O-CZ3 3.41Å; M198-W252 HydrophobicContact CG-CH2 3.59Å; M198-W252 HydrophobicContact CG-CZ3 3.97Å
199	A	98.8	Very high	98.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61.9	-44.7	179.5	0	0	0	0	0	112.3	P48 H49 I54 L57 E195 M197 A203	P48-A199 HydrophobicContact CB-CB 4.06Å; P48-A199 VanDerWaalsContact CB-O 3.24Å; P48-A199 WeakPolarHBondContact CB-O 3.38Å; H49-A199 HydrophobicContact CB-CB 3.96Å; I54-A199 HydrophobicContact CD1-CB 3.91Å; L57-A199 HydrophobicContact CD1-CB 4.38Å; E195-A199 PolarHBondContact O-N 3.41Å; M197-A199 VanDerWaalsContact C-N 3.34Å; M197-A199 PolarHBondContact O-N 2.93Å; A199-A203 VanDerWaalsContact O-CB 3.31Å; A199-A203 WeakPolarHBondContact O-CB 3.43Å; A199-A203 PolarHBondContact O-N 2.92Å; A199-A203 VanDerWaalsContact O-N 3.14Å
200	E	98.9	Very high	98.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-65.5	-46.8	178.7	-179.3	60.3	-147	0	0	111.7	R47 P48 R99 V191 K196 M197 M198 R204 I207 Y293	R47-E200 IonicContact CZ-OE1 2.74Å; R47-E200 IonicContact CZ-OE2 3.66Å; R47-E200 IonicContact NE-OE2 2.77Å; R47-E200 PolarHBondContact NE-OE2 3.43Å; R47-E200 IonicContact NH2-OE1 2.67Å; R47-E200 PolarHBondContact NH2-OE1 3.42Å; R47-E200 IonicContact NH2-OE2 3.19Å; R47-E200 PolarHBondContact NH2-OE2 2.66Å; P48-E200 VanDerWaalsContact CD-OE2 3.28Å; P48-E200 WeakPolarHBondContact CD-OE2 3.26Å; R99-E200 IonicContact CZ-OE1 3.28Å; R99-E200 IonicContact NH1-OE1 3.06Å; R99-E200 PolarHBondContact NH1-OE1 3.1Å; R99-E200 IonicContact NH2-OE1 2.65Å; R99-E200 PolarHBondContact NH2-OE1 2.63Å; V191-E200 HydrophobicContact CG1-CG 4.42Å; V191-E200 HydrophobicContact CG2-CB 4.33Å; K196-E200 WeakPolarHBondContact O-CB 3.49Å; K196-E200 PolarHBondContact O-N 3.17Å; M197-E200 PolarHBondContact O-N 2.93Å; M198-E200 PolarHBondContact O-N 3.28Å; E200-R204 PolarHBondContact O-N 3.46Å; E200-I207 HydrophobicContact CG-CG2 3.65Å; E200-Y293 HydrophobicContact CG-CD1 4.34Å; E200-Y293 HydrophobicContact CG-CG 4.34Å
201	I	98.9	Very high	98.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62	-48.6	179.7	-68.8	163.4	0	0	0	110.6	W63 M197 M198 G205 I207 V240 W243 W252	W63-I201 PolarHBondContact NE1-O 2.99Å; M197-I201 HydrophobicContact CB-CD1 4.44Å; M197-I201 WeakPolarHBondContact O-CB 3.22Å; M197-I201 WeakPolarHBondContact O-CD1 3.49Å; M197-I201 WeakPolarHBondContact O-CG1 3.43Å; M197-I201 PolarHBondContact O-N 3.47Å; M198-I201 PolarHBondContact O-N 3.48Å; I201-G205 WeakPolarHBondContact CA-O 3.12Å; I201-G205 WeakPolarHBondContact O-CA 3.29Å; I201-G205 PolarHBondContact O-N 3.28Å; I201-I207 HydrophobicContact CD1-CD1 3.85Å; I201-I207 HydrophobicContact CD1-CG1 3.93Å; I201-I207 HydrophobicContact CG1-CD1 3.92Å; I201-I207 HydrophobicContact CG1-CG1 3.82Å; I201-I207 HydrophobicContact CG1-CG2 4.24Å; I201-V240 HydrophobicContact CD1-CB 4.08Å; I201-V240 HydrophobicContact CD1-CG1 3.7Å; I201-W243 HydrophobicContact CB-CZ3 4.17Å; I201-W243 HydrophobicContact CG2-CZ3 4.09Å; I201-W252 HydrophobicContact CD1-CZ3 4.07Å
202	Y	98.8	Very high	98.7	Very high	82 Å²	82	28.4 Å²	28.4	32%	0.322	15%	0.145	S	C	.	.	H	α-helix	trans	-62	-46.8	-178.2	177.9	-106	0	0	0	112.7	L52 L57 P58 W61 W63 M198	L52-Y202 HydrophobicContact CD1-CD1 4.26Å; L57-Y202 HydrophobicContact CD2-CD1 3.51Å; L57-Y202 HydrophobicContact CD2-CE1 4.02Å; L57-Y202 HydrophobicContact CD2-CG 3.9Å; P58-Y202 HydrophobicContact CG-CD2 3.9Å; P58-Y202 HydrophobicContact CG-CE2 3.68Å; W61-Y202 AromaticContact CD2-CD2 3.53Å; W61-Y202 HydrophobicContact CD2-CD2 3.53Å; W61-Y202 AromaticContact CD2-CE2 3.9Å; W61-Y202 HydrophobicContact CD2-CE2 3.9Å; W61-Y202 AromaticContact CE2-CD2 3.65Å; W61-Y202 AromaticContact CE3-CD2 3.77Å; W61-Y202 HydrophobicContact CE3-CD2 3.77Å; W61-Y202 AromaticContact CE3-CE2 3.62Å; W61-Y202 HydrophobicContact CE3-CE2 3.62Å; W61-Y202 AromaticContact CG-CD2 3.99Å; W61-Y202 HydrophobicContact CG-CD2 3.99Å; W61-Y202 HydrophobicContact CH2-CD2 4.17Å; W61-Y202 AromaticContact CH2-CE2 3.76Å; W61-Y202 HydrophobicContact CH2-CE2 3.76Å; W61-Y202 AromaticContact CZ2-CD2 3.97Å; W61-Y202 HydrophobicContact CZ2-CD2 3.97Å; W61-Y202 HydrophobicContact CZ2-CE2 4.04Å; W61-Y202 HydrophobicContact CZ3-CD2 4.08Å; W61-Y202 AromaticContact CZ3-CE2 3.56Å; W61-Y202 HydrophobicContact CZ3-CE2 3.56Å; W63-Y202 WeakPolarHBondContact CZ2-O 3.2Å; M198-Y202 VanDerWaalsContact O-CB 3.26Å; M198-Y202 WeakPolarHBondContact O-CB 3.33Å; M198-Y202 PolarHBondContact O-N 2.63Å
203	A	98.5	Very high	98.6	Very high	44 Å²	44	25.9 Å²	25.9	36%	0.364	13%	0.128	S	C	.	.	H	α-helix	trans	-78	-33.1	-173.6	0	0	0	0	0	113	P48 L52 A199	P48-A203 HydrophobicContact CB-CB 3.7Å; P48-A203 HydrophobicContact CG-CB 3.58Å; L52-A203 HydrophobicContact CD1-CB 4.01Å; A199-A203 VanDerWaalsContact O-CB 3.31Å; A199-A203 WeakPolarHBondContact O-CB 3.43Å; A199-A203 PolarHBondContact O-N 2.92Å; A199-A203 VanDerWaalsContact O-N 3.14Å
204	R	98.4	Very high	98.5	Very high	82 Å²	82	24.5 Å²	24.5	31%	0.309	11%	0.113	S	C	.	.	H	α-helix	trans	-134	-2.7	-162.9	-66.4	-179.5	177.3	-99.5	5.1	115.3	P48 R99 E200 D295	P48-R204 HydrophobicContact CG-CG 4.12Å; R99-R204 WeakPolarHBondContact CG-O 3.48Å; E200-R204 PolarHBondContact O-N 3.46Å; R204-D295 IonicContact CZ-OD2 3.68Å; R204-D295 VanDerWaalsContact NH1-CG 3.29Å; R204-D295 IonicContact NH1-OD1 3.99Å; R204-D295 PolarHBondContact NH1-OD1 3.35Å; R204-D295 IonicContact NH1-OD2 2.66Å; R204-D295 PolarHBondContact NH1-OD2 3.04Å
205	G	98.8	Very high	98.4	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.129	C	C	.	.			trans	101.2	178.1	176	0	0	0	0	0	114.7	R99 I102 I201	R99-G205 PolarHBondContact NH2-O 3.47Å; I102-G205 VanDerWaalsContact CD1-CA 3.48Å; I201-G205 WeakPolarHBondContact CA-O 3.12Å; I201-G205 WeakPolarHBondContact O-CA 3.29Å; I201-G205 PolarHBondContact O-N 3.28Å
206	P	98.9	Very high	98.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.127	C	C	.	.			trans	-53.5	151	-174.1	-28.9	38.2	0	0	0	114.3	W63 A95 D98 R99 V240 A241	W63-P206 HydrophobicContact CB-CG 4.22Å; W63-P206 HydrophobicContact CG-CG 4.22Å; A95-P206 HydrophobicContact CB-CB 4.4Å; D98-P206 HydrophobicContact CB-CB 4.37Å; D98-P206 HydrophobicContact CB-CG 3.72Å; D98-P206 WeakPolarHBondContact OD2-CG 3.19Å; R99-P206 PolarHBondContact NE-O 3.13Å; R99-P206 PolarHBondContact NH2-O 2.98Å; P206-V240 VanDerWaalsContact CA-O 3.27Å; P206-V240 WeakPolarHBondContact CA-O 3.45Å; P206-A241 HydrophobicContact CB-CB 4.01Å; P206-A241 HydrophobicContact CG-CB 3.73Å
207	I	98.9	Very high	98.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	159.3	178.5	57.8	178.4	0	0	0	110.1	V191 M197 E200 I201 S239 V240 C291 M292	V191-I207 HydrophobicContact CG1-CD1 3.92Å; V191-I207 HydrophobicContact CG1-CG2 4.36Å; M197-I207 HydrophobicContact CB-CD1 3.98Å; M197-I207 HydrophobicContact CE-CD1 4.28Å; M197-I207 HydrophobicContact CG-CD1 3.82Å; E200-I207 HydrophobicContact CG-CG2 3.65Å; I201-I207 HydrophobicContact CD1-CD1 3.85Å; I201-I207 HydrophobicContact CD1-CG1 3.93Å; I201-I207 HydrophobicContact CG1-CD1 3.92Å; I201-I207 HydrophobicContact CG1-CG1 3.82Å; I201-I207 HydrophobicContact CG1-CG2 4.24Å; I207-S239 CarbonylContact O-C 3.55Å; I207-S239 WeakPolarHBondContact O-CA 3.33Å; I207-S239 PolarHBondContact O-OG 3.45Å; I207-V240 HydrophobicContact CG1-CB 4.12Å; I207-V240 PolarHBondContact N-O 3.03Å; I207-V240 PolarHBondContact O-N 2.04Å; I207-C291 HydrophobicContact CD1-CB 3.85Å; I207-C291 HydrophobicContact CG1-CB 4.43Å; I207-M292 WeakPolarHBondContact CB-O 3.43Å
208	S	98.9	Very high	98.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	125.8	172.6	61.3	0	0	0	0	110.1	H132 W136 V238 C291 M292	H132-S208 PolarHBondContact CE1-O 2.78Å; H132-S208 PolarHBondContact ND1-O 2.64Å; H132-S208 PolarHBondContact ND1-OG 2.95Å; W136-S208 PolarHBondContact NE1-OG 3.25Å; W136-S208 VanDerWaalsContact NE1-OG 3.1Å; S208-V238 CarbonylContact C-O 3.53Å; S208-V238 WeakPolarHBondContact CA-O 3.44Å; S208-C291 CarbonylContact O-C 3.41Å; S208-C291 WeakPolarHBondContact O-CA 3.48Å; S208-C291 WeakPolarHBondContact O-CB 3.45Å; S208-M292 PolarHBondContact N-O 3.15Å; S208-M292 PolarHBondContact O-N 2.98Å; S208-M292 PolarHBondContact OG-O 3.19Å
209	C	98.9	Very high	98	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	144.6	-175.7	-64.2	0	0	0	0	111.7	I237 V238 V240 L287 D290 C291	C209-I237 WeakPolarHBondContact O-CA 3.44Å; C209-V238 PolarHBondContact N-O 2.98Å; C209-V238 WeakPolarHBondContact O-CG2 3.34Å; C209-V238 PolarHBondContact O-N 3.29Å; C209-V240 HydrophobicContact CB-CG2 3.91Å; C209-V240 VanDerWaalsContact SG-CG2 3.5Å; C209-L287 HydrophobicContact CB-CD1 3.81Å; C209-D290 CarbonylContact C-O 3.45Å; C209-D290 WeakPolarHBondContact CA-O 3.38Å; C209-C291 HydrophobicContact CB-CB 3.99Å; C209-C291 WeakPolarHBondContact CB-SG 3.44Å; C209-C291 WeakPolarHBondContact SG-CB 3.35Å; C209-C291 CovalentContact SG-SG 2.04Å; C209-C291 PolarHBondContact SG-SG 3.14Å
210	G	98.6	Very high	98	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	145.8	166.2	0	0	0	0	0	111.4	H236 L287 D290	G210-H236 CarbonylContact C-O 3.29Å; G210-H236 WeakPolarHBondContact CA-O 3.46Å; G210-L287 WeakPolarHBondContact O-CA 3.32Å; G210-D290 PolarHBondContact N-O 3.05Å
211	I	98.7	Very high	97.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	152.5	173.2	-169.8	165.4	0	0	0	109.2	A213 L217 N235 H236 V238 L268 I270 L285 L287	I211-A213 PolarHBondContact O-N 3.45Å; I211-L217 HydrophobicContact CD1-CD2 4.27Å; I211-N235 PolarHBondContact O-N 3.21Å; I211-N235 PolarHBondContact O-OD1 2.88Å; I211-H236 HydrophobicContact CG2-CB 3.94Å; I211-H236 PolarHBondContact N-O 3.37Å; I211-H236 PolarHBondContact O-N 3.17Å; I211-H236 VanDerWaalsContact O-O 3.11Å; I211-V238 HydrophobicContact CB-CG2 4.19Å; I211-V238 HydrophobicContact CG2-CB 4.46Å; I211-V238 HydrophobicContact CG2-CG1 3.76Å; I211-V238 HydrophobicContact CG2-CG2 3.92Å; I211-L268 HydrophobicContact CD1-CD2 4.19Å; I211-I270 HydrophobicContact CD1-CD1 4.11Å; I211-L285 HydrophobicContact CD1-CB 4.09Å; I211-L285 HydrophobicContact CD1-CD1 4.2Å; I211-L285 HydrophobicContact CG1-CB 3.59Å; I211-L285 HydrophobicContact CG1-CD1 4.31Å; I211-L287 HydrophobicContact CB-CD1 4.11Å; I211-L287 HydrophobicContact CD1-CD1 4.14Å; I211-L287 HydrophobicContact CG1-CD1 4.43Å
212	M	97.8	Very high	97.9	Very high	32 Å²	32	33.5 Å²	33.5	16%	0.158	20%	0.195	C	C	.	.			trans	-84.7	102.2	168.1	179.6	-179.6	-178.7	0	0	110	T214 Q229 A232 S233 L285	M212-T214 HydrophobicContact CE-CG2 4.1Å; M212-T214 HydrophobicContact CG-CG2 3.94Å; M212-T214 HydrophobicContact SD-CG2 4.29Å; M212-Q229 HydrophobicContact SD-CG 4.05Å; M212-A232 HydrophobicContact CB-CB 4.46Å; M212-A232 VanDerWaalsContact SD-CA 3.58Å; M212-A232 HydrophobicContact SD-CB 4Å; M212-S233 VanDerWaalsContact CB-O 3.26Å; M212-S233 WeakPolarHBondContact CB-O 3.36Å; M212-S233 VanDerWaalsContact CG-O 3.23Å; M212-S233 WeakPolarHBondContact CG-O 3.31Å; M212-S233 PolarHBondContact SD-N 3.2Å; M212-L285 HydrophobicContact CB-CB 4.15Å; M212-L285 HydrophobicContact CB-CD2 4.43Å; M212-L285 PolarHBondContact N-O 3.34Å; M212-L285 WeakPolarHBondContact O-CD1 3.47Å
213	A	97.1	Very high	97.9	Very high	2 Å²	2	31 Å²	31	2%	0.017	19%	0.193	C	C	.	.			trans	-68.7	130.4	166.1	0	0	0	0	0	110.7	F24 I211 L217 N235 H236 W258	F24-A213 HydrophobicContact CD2-CB 4.22Å; F24-A213 WeakPolarHBondContact CE2-O 3.23Å; F24-A213 HydrophobicContact CG-CB 4.23Å; I211-A213 PolarHBondContact O-N 3.45Å; A213-L217 HydrophobicContact CB-CD2 4.46Å; A213-N235 WeakPolarHBondContact CA-OD1 2.87Å; A213-N235 WeakPolarHBondContact CB-OD1 3.25Å; A213-N235 PolarHBondContact N-OD1 3.29Å; A213-N235 PolarHBondContact O-ND2 3.08Å; A213-H236 HydrophobicContact CB-CB 3.84Å; A213-W258 HydrophobicContact CB-CH2 4.17Å; A213-W258 HydrophobicContact CB-CZ2 4.29Å
214	T	96.3	Very high	97.9	Very high	3 Å²	3	31 Å²	31	2%	0.018	19%	0.186	C	C	.	.			trans	-127.4	163.8	-178.9	71.5	0	0	0	0	109.7	F24 M212 K216 L217 D218 E227 L285	F24-T214 VanDerWaalsContact CE1-C 3.47Å; M212-T214 HydrophobicContact CE-CG2 4.1Å; M212-T214 HydrophobicContact CG-CG2 3.94Å; M212-T214 HydrophobicContact SD-CG2 4.29Å; T214-K216 PolarHBondContact O-N 3.35Å; T214-K216 PolarHBondContact OG1-N 2.99Å; T214-L217 PolarHBondContact O-N 2.54Å; T214-L217 VanDerWaalsContact O-N 3.11Å; T214-L217 PolarHBondContact OG1-N 3.11Å; T214-D218 PolarHBondContact O-N 3.1Å; T214-E227 WeakPolarHBondContact CB-OE2 3.49Å; T214-E227 WeakPolarHBondContact CG2-OE2 3.45Å; T214-E227 PolarHBondContact OG1-OE1 2.95Å; T214-E227 PolarHBondContact OG1-OE2 3.34Å; T214-L285 HydrophobicContact CG2-CD2 3.83Å
215	P	95.4	Very high	97.9	Very high	80 Å²	80	27.7 Å²	27.7	52%	0.519	17%	0.174	S	C	.	.	H	α-helix	trans	-58.8	-28.9	172	-24.7	36	0	0	0	113.2	F24 D218 A219	F24-P215 HydrophobicContact CE1-CG 4.4Å; F24-P215 HydrophobicContact CZ-CG 4.34Å; P215-D218 WeakPolarHBondContact O-CB 3.19Å; P215-A219 PolarHBondContact O-N 3.19Å
216	K	97.1	Very high	97.9	Very high	112 Å²	112	29.3 Å²	29.3	49%	0.487	19%	0.185	S	C	.	.	H	α-helix	trans	-73.2	-37.1	176.5	-172.3	-171.7	177.4	-168.9	0	111.5	T214 A219 Y220 Y225 S226 E227	T214-K216 PolarHBondContact O-N 3.35Å; T214-K216 PolarHBondContact OG1-N 2.99Å; K216-A219 PolarHBondContact O-N 3.4Å; K216-Y220 PolarHBondContact O-N 2.01Å; K216-Y225 VanDerWaalsContact C-OH 3.25Å; K216-Y225 WeakPolarHBondContact CB-OH 3.15Å; K216-Y225 HydrophobicContact CG-CE2 4.28Å; K216-Y225 WeakPolarHBondContact CG-OH 3.31Å; K216-S226 PolarHBondContact NZ-O 3.42Å; K216-E227 HydrophobicContact CD-CB 4.13Å; K216-E227 HydrophobicContact CD-CG 3.9Å
217	L	97.8	Very high	97.9	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-69.4	-39	174.4	-175.8	66.4	0	0	0	111	I211 A213 T214 A219 Y220 Y225 W262 L268 L285	I211-L217 HydrophobicContact CD1-CD2 4.27Å; A213-L217 HydrophobicContact CB-CD2 4.46Å; T214-L217 PolarHBondContact O-N 2.54Å; T214-L217 VanDerWaalsContact O-N 3.11Å; T214-L217 PolarHBondContact OG1-N 3.11Å; L217-A219 VanDerWaalsContact C-N 3.25Å; L217-A219 PolarHBondContact O-N 3.02Å; L217-Y220 WeakPolarHBondContact O-CB 3.46Å; L217-Y220 PolarHBondContact O-N 3.21Å; L217-Y225 WeakPolarHBondContact CA-OH 3.28Å; L217-Y225 HydrophobicContact CB-CE2 4.32Å; L217-Y225 HydrophobicContact CD1-CD1 4.38Å; L217-Y225 HydrophobicContact CD1-CD2 4.07Å; L217-Y225 HydrophobicContact CD1-CE1 4.23Å; L217-Y225 HydrophobicContact CD1-CE2 3.91Å; L217-Y225 HydrophobicContact CD1-CG 4.3Å; L217-Y225 PolarHBondContact N-OH 2.86Å; L217-W262 HydrophobicContact CD1-CH2 4.44Å; L217-W262 HydrophobicContact CD1-CZ2 4.18Å; L217-W262 HydrophobicContact CG-CZ2 4.21Å; L217-W262 WeakPolarHBondContact O-CZ2 3.42Å; L217-W262 PolarHBondContact O-NE1 3.31Å; L217-L268 HydrophobicContact CD1-CD1 3.94Å; L217-L268 HydrophobicContact CD1-CD2 3.91Å; L217-L285 HydrophobicContact CB-CD1 4.25Å; L217-L285 HydrophobicContact CD1-CD1 4.28Å; L217-L285 HydrophobicContact CD2-CD1 3.96Å; L217-L285 HydrophobicContact CG-CD1 4.38Å
218	D	95.3	Very high	97.8	Very high	20 Å²	20	35.3 Å²	35.3	11%	0.107	21%	0.21	C	C	.	.	H	α-helix	trans	-53.7	-44.5	174	-167.9	77	0	0	0	111.8	F23 F24 T214 P215 Y220 W262	F23-D218 WeakPolarHBondContact CA-OD1 3.42Å; F23-D218 WeakPolarHBondContact CB-OD1 3.48Å; F23-D218 WeakPolarHBondContact CD2-OD1 3.39Å; F23-D218 PolarHBondContact N-OD1 3.41Å; F24-D218 HydrophobicContact CD1-CB 4.27Å; F24-D218 HydrophobicContact CE1-CB 4.37Å; T214-D218 PolarHBondContact O-N 3.1Å; P215-D218 WeakPolarHBondContact O-CB 3.19Å; D218-Y220 PolarHBondContact O-N 3.05Å; D218-W262 PolarHBondContact O-NE1 3.22Å; D218-W262 VanDerWaalsContact O-NE1 3.09Å
219	A	96.9	Very high	97.8	Very high	71 Å²	71	37.6 Å²	37.6	59%	0.587	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	4.1	178.2	0	0	0	0	0	115.1	P215 K216 L217 T221	P215-A219 PolarHBondContact O-N 3.19Å; K216-A219 PolarHBondContact O-N 3.4Å; L217-A219 VanDerWaalsContact C-N 3.25Å; L217-A219 PolarHBondContact O-N 3.02Å; A219-T221 PolarHBondContact O-N 3.21Å
220	Y	98.3	Very high	97.6	Very high	15 Å²	15	42.7 Å²	42.7	6%	0.059	25%	0.248	C	C	.	.			trans	-66.4	130.9	-178.6	174.3	-105.9	0	0	0	112.4	K216 L217 D218 G222 G223 Y225 W262 G263 E264 L268 R269	K216-Y220 PolarHBondContact O-N 2.01Å; L217-Y220 WeakPolarHBondContact O-CB 3.46Å; L217-Y220 PolarHBondContact O-N 3.21Å; D218-Y220 PolarHBondContact O-N 3.05Å; Y220-G222 WeakPolarHBondContact CE2-O 3.09Å; Y220-G223 VanDerWaalsContact CE2-O 3.27Å; Y220-G223 WeakPolarHBondContact CE2-O 3.15Å; Y220-G223 PolarHBondContact OH-N 3.47Å; Y220-G223 PolarHBondContact OH-O 2.71Å; Y220-Y225 AromaticContact CD2-CD2 3.65Å; Y220-Y225 HydrophobicContact CD2-CD2 3.65Å; Y220-Y225 HydrophobicContact CD2-CE2 4.45Å; Y220-Y225 HydrophobicContact CE2-CD2 4.26Å; Y220-Y225 HydrophobicContact CG-CD2 4.2Å; Y220-W262 AromaticContact CD1-CH2 3.93Å; Y220-W262 HydrophobicContact CD1-CH2 3.93Å; Y220-W262 AromaticContact CD1-CZ2 3.92Å; Y220-W262 HydrophobicContact CD1-CZ2 3.92Å; Y220-W262 HydrophobicContact CD1-CZ3 4.41Å; Y220-W262 HydrophobicContact CG-CZ2 4.47Å; Y220-G263 WeakPolarHBondContact O-CA 3.11Å; Y220-G263 PolarHBondContact O-N 3.22Å; Y220-E264 HydrophobicContact CE1-CG 4.25Å; Y220-E264 VanDerWaalsContact OH-CD 3.3Å; Y220-E264 PolarHBondContact OH-OE1 3.01Å; Y220-L268 HydrophobicContact CD1-CD1 3.85Å; Y220-L268 HydrophobicContact CD2-CD1 4.29Å; Y220-L268 HydrophobicContact CE1-CB 4.29Å; Y220-L268 HydrophobicContact CE1-CD1 3.63Å; Y220-L268 HydrophobicContact CE2-CD1 4.05Å; Y220-L268 HydrophobicContact CG-CD1 4.16Å; Y220-R269 PolarHBondContact OH-N 2.91Å
221	T	98.1	Very high	97.3	Very high	122 Å²	122	52.8 Å²	52.8	75%	0.748	29%	0.287	S	S	*	.			trans	-126.8	-5.6	178.8	55.3	0	0	0	0	114	A219	A219-T221 PolarHBondContact O-N 3.21Å
222	G	98	Very high	97.1	Very high	37 Å²	37	54.7 Å²	54.7	38%	0.381	30%	0.303	S	S	.	.	S	Bend	trans	155	167.1	177.4	0	0	0	0	0	114.9	Y220	Y220-G222 WeakPolarHBondContact CE2-O 3.09Å
223	G	98.5	Very high	97	Very high	28 Å²	28	57 Å²	57	29%	0.289	32%	0.323	S	S	.	.	S	Bend	trans	92.2	175	-178.9	0	0	0	0	0	113.7	Y220 Y225 E264	Y220-G223 VanDerWaalsContact CE2-O 3.27Å; Y220-G223 WeakPolarHBondContact CE2-O 3.15Å; Y220-G223 PolarHBondContact OH-N 3.47Å; Y220-G223 PolarHBondContact OH-O 2.71Å; G223-Y225 PolarHBondContact O-N 3.48Å; G223-E264 PolarHBondContact N-OE1 3.48Å
224	I	98.8	Very high	97	Very high	44 Å²	44	58.6 Å²	58.6	23%	0.226	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	107.8	175.2	-59.7	166.6	0	0	0	109.5	E246 V249 Y251 V271	I224-E246 HydrophobicContact CD1-CB 3.79Å; I224-E246 HydrophobicContact CD1-CG 4.29Å; I224-V249 HydrophobicContact CD1-CB 4.09Å; I224-V249 HydrophobicContact CD1-CG1 4.14Å; I224-V249 HydrophobicContact CG2-CG1 4.1Å; I224-Y251 HydrophobicContact CD1-CD1 3.82Å; I224-Y251 HydrophobicContact CD1-CE1 4.42Å; I224-Y251 HydrophobicContact CG1-CD1 3.97Å; I224-Y251 HydrophobicContact CG1-CG 4.31Å; I224-V271 HydrophobicContact CG2-CG1 3.66Å
225	Y	98.9	Very high	97	Very high	13 Å²	13	59.8 Å²	59.8	5%	0.051	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	138.4	179.5	-167.3	-87.5	0	0	0	112	K216 L217 Y220 G223 E227 L268 R269 I270 V271 L285	K216-Y225 VanDerWaalsContact C-OH 3.25Å; K216-Y225 WeakPolarHBondContact CB-OH 3.15Å; K216-Y225 HydrophobicContact CG-CE2 4.28Å; K216-Y225 WeakPolarHBondContact CG-OH 3.31Å; L217-Y225 WeakPolarHBondContact CA-OH 3.28Å; L217-Y225 HydrophobicContact CB-CE2 4.32Å; L217-Y225 HydrophobicContact CD1-CD1 4.38Å; L217-Y225 HydrophobicContact CD1-CD2 4.07Å; L217-Y225 HydrophobicContact CD1-CE1 4.23Å; L217-Y225 HydrophobicContact CD1-CE2 3.91Å; L217-Y225 HydrophobicContact CD1-CG 4.3Å; L217-Y225 PolarHBondContact N-OH 2.86Å; Y220-Y225 AromaticContact CD2-CD2 3.65Å; Y220-Y225 HydrophobicContact CD2-CD2 3.65Å; Y220-Y225 HydrophobicContact CD2-CE2 4.45Å; Y220-Y225 HydrophobicContact CE2-CD2 4.26Å; Y220-Y225 HydrophobicContact CG-CD2 4.2Å; G223-Y225 PolarHBondContact O-N 3.48Å; Y225-E227 HydrophobicContact CE1-CB 3.55Å; Y225-E227 PolarHBondContact OH-OE2 2.63Å; Y225-L268 HydrophobicContact CD2-CD1 4.38Å; Y225-L268 HydrophobicContact CG-CD1 4.07Å; Y225-R269 WeakPolarHBondContact CB-O 3.4Å; Y225-R269 PolarHBondContact N-O 3.01Å; Y225-I270 HydrophobicContact CD1-CD1 3.77Å; Y225-I270 HydrophobicContact CD1-CG1 4.01Å; Y225-I270 HydrophobicContact CE1-CD1 4.49Å; Y225-I270 WeakPolarHBondContact O-CA 3.49Å; Y225-V271 PolarHBondContact O-N 3.02Å; Y225-L285 HydrophobicContact CD1-CD1 4.16Å; Y225-L285 HydrophobicContact CE1-CD1 3.49Å; Y225-L285 VanDerWaalsContact CE1-CD1 3.49Å; Y225-L285 HydrophobicContact CE1-CG 4.15Å
226	S	98.6	Very high	97.1	Very high	34 Å²	34	56.1 Å²	56.1	24%	0.238	31%	0.313	C	S	.	.			trans	-150.4	138.6	165.1	56.9	0	0	0	0	110.3	K216	K216-S226 PolarHBondContact NZ-O 3.42Å
227	E	98.5	Very high	97.2	Very high	25 Å²	25	50.8 Å²	50.8	12%	0.117	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-148.1	116.3	176.8	-178.4	-175.3	175.9	0	0	109.3	T214 K216 Y225 Q229 Y283 L285	T214-E227 WeakPolarHBondContact CB-OE2 3.49Å; T214-E227 WeakPolarHBondContact CG2-OE2 3.45Å; T214-E227 PolarHBondContact OG1-OE1 2.95Å; T214-E227 PolarHBondContact OG1-OE2 3.34Å; K216-E227 HydrophobicContact CD-CB 4.13Å; K216-E227 HydrophobicContact CD-CG 3.9Å; Y225-E227 HydrophobicContact CE1-CB 3.55Å; Y225-E227 PolarHBondContact OH-OE2 2.63Å; E227-Q229 PolarHBondContact O-N 2.95Å; E227-Q229 PolarHBondContact OE1-NE2 3.14Å; E227-Y283 PolarHBondContact N-O 3.45Å; E227-Y283 CarbonylContact O-C 3.14Å; E227-Y283 VanDerWaalsContact O-CA 3.23Å; E227-Y283 WeakPolarHBondContact O-CA 3.5Å; E227-L285 HydrophobicContact CB-CD2 4.17Å; E227-L285 HydrophobicContact CG-CD2 4.45Å
228	Y	98.4	Very high	97.3	Very high	102 Å²	102	50.8 Å²	50.8	40%	0.4	29%	0.29	S	S	.	.			trans	-65.9	129.7	175.8	-177.2	-97.3	0	0	0	110.8	D230 Q282 Y283	Y228-D230 WeakPolarHBondContact CE1-OD1 3.43Å; Y228-D230 PolarHBondContact OH-OD1 3.33Å; Y228-Q282 CarbonylContact C-O 3.52Å; Y228-Q282 VanDerWaalsContact CA-O 3.28Å; Y228-Q282 WeakPolarHBondContact CA-O 3.48Å; Y228-Q282 HydrophobicContact CD2-CB 3.98Å; Y228-Q282 HydrophobicContact CE2-CB 3.88Å; Y228-Q282 HydrophobicContact CE2-CG 4.4Å; Y228-Y283 HydrophobicContact CD2-CD1 4.47Å; Y228-Y283 AromaticContact CD2-CE1 3.87Å; Y228-Y283 HydrophobicContact CD2-CE1 3.87Å; Y228-Y283 AromaticContact CD2-CE2 3.91Å; Y228-Y283 HydrophobicContact CD2-CE2 3.91Å; Y228-Y283 AromaticContact CD2-CZ 3.54Å; Y228-Y283 HydrophobicContact CG-CE1 4.25Å
229	Q	97.8	Very high	97.4	Very high	47 Å²	47	49.9 Å²	49.9	22%	0.22	29%	0.285	C	S	.	.			trans	-134.4	121.7	172.4	-70.5	-67.6	-8.2	0	0	108.7	M212 E227 Y231 A232 Q282 L285	M212-Q229 HydrophobicContact SD-CG 4.05Å; E227-Q229 PolarHBondContact O-N 2.95Å; E227-Q229 PolarHBondContact OE1-NE2 3.14Å; Q229-Y231 VanDerWaalsContact C-N 3.25Å; Q229-Y231 PolarHBondContact O-N 3.11Å; Q229-A232 HydrophobicContact CB-CB 4.24Å; Q229-Q282 PolarHBondContact N-O 2.79Å; Q229-L285 HydrophobicContact CG-CD2 3.94Å
230	D	94.1	Very high	97.5	Very high	107 Å²	107	46.5 Å²	46.5	57%	0.572	26%	0.257	S	S	*	.	S	Bend	trans	-61.1	-40.2	175.2	-76.3	-44.2	0	0	0	110.9	Y228	Y228-D230 WeakPolarHBondContact CE1-OD1 3.43Å; Y228-D230 PolarHBondContact OH-OD1 3.33Å
231	Y	93.5	Very high	97.6	Very high	212 Å²	212	45.8 Å²	45.8	83%	0.831	25%	0.254	S	S	*	.	S	Bend	trans	-138.1	108.3	176.3	-60.6	-81.4	0	0	0	108.9	Q229	Q229-Y231 VanDerWaalsContact C-N 3.25Å; Q229-Y231 PolarHBondContact O-N 3.11Å
232	A	94.9	Very high	97.6	Very high	40 Å²	40	40 Å²	40	33%	0.331	22%	0.219	S	C	.	.			trans	-87.7	125.9	175.9	0	0	0	0	0	110.5	M212 Q229 A286	M212-A232 HydrophobicContact CB-CB 4.46Å; M212-A232 VanDerWaalsContact SD-CA 3.58Å; M212-A232 HydrophobicContact SD-CB 4Å; Q229-A232 HydrophobicContact CB-CB 4.24Å; A232-A286 HydrophobicContact CB-CB 3.66Å
233	S	94.8	Very high	97.7	Very high	82 Å²	82	38.3 Å²	38.3	57%	0.573	20%	0.201	S	C	*	.			trans	-111.5	117.9	175.6	-172.7	0	0	0	0	109.7	M212 N235	M212-S233 VanDerWaalsContact CB-O 3.26Å; M212-S233 WeakPolarHBondContact CB-O 3.36Å; M212-S233 VanDerWaalsContact CG-O 3.23Å; M212-S233 WeakPolarHBondContact CG-O 3.31Å; M212-S233 PolarHBondContact SD-N 3.2Å; S233-N235 PolarHBondContact O-N 2.97Å
234	I	96.7	Very high	97.7	Very high	35 Å²	35	37 Å²	37	18%	0.179	19%	0.187	C	C	.	.			trans	-66.2	124.9	-179.9	-62.2	173.7	0	0	0	109.2	Y31 A286 E289 D290	Y31-I234 HydrophobicContact CD1-CB 4.2Å; Y31-I234 HydrophobicContact CD1-CG2 3.49Å; Y31-I234 VanDerWaalsContact CD1-CG2 3.49Å; Y31-I234 HydrophobicContact CE1-CB 4.25Å; Y31-I234 HydrophobicContact CE1-CG2 3.75Å; Y31-I234 HydrophobicContact CG-CG2 4.1Å; I234-A286 HydrophobicContact CD1-CB 4.47Å; I234-A286 HydrophobicContact CG1-CB 4.04Å; I234-E289 HydrophobicContact CD1-CB 4.35Å; I234-D290 HydrophobicContact CD1-CB 3.77Å
235	N	96.7	Very high	97.7	Very high	28 Å²	28	38 Å²	38	15%	0.15	20%	0.195	C	C	.	.			trans	-136.1	3.1	178.9	65.4	6.2	0	0	0	112.6	P29 C30 Y31 I211 A213 S233	P29-N235 HydrophobicContact CB-CB 3.82Å; C30-N235 PolarHBondContact N-O 2.62Å; Y31-N235 PolarHBondContact N-O 2.91Å; I211-N235 PolarHBondContact O-N 3.21Å; I211-N235 PolarHBondContact O-OD1 2.88Å; A213-N235 WeakPolarHBondContact CA-OD1 2.87Å; A213-N235 WeakPolarHBondContact CB-OD1 3.25Å; A213-N235 PolarHBondContact N-OD1 3.29Å; A213-N235 PolarHBondContact O-ND2 3.08Å; S233-N235 PolarHBondContact O-N 2.97Å
236	H	98.3	Very high	97.6	Very high	2 Å²	2	41 Å²	41	1%	0.009	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	155.9	-177.5	-168	57.6	0	0	0	110.7	C87 G210 I211 A213 N256 W258	C87-H236 WeakPolarHBondContact CB-CE1 3.25Å; C87-H236 VanDerWaalsContact CB-ND1 3.34Å; C87-H236 WeakPolarHBondContact CB-ND1 3.49Å; C87-H236 PolarHBondContact SG-ND1 2.9Å; C87-H236 VanDerWaalsContact SG-ND1 3.35Å; G210-H236 CarbonylContact C-O 3.29Å; G210-H236 WeakPolarHBondContact CA-O 3.46Å; I211-H236 HydrophobicContact CG2-CB 3.94Å; I211-H236 PolarHBondContact N-O 3.37Å; I211-H236 PolarHBondContact O-N 3.17Å; I211-H236 VanDerWaalsContact O-O 3.11Å; A213-H236 HydrophobicContact CB-CB 3.84Å; H236-N256 PolarHBondContact NE2-OD1 3.39Å; H236-W258 AromaticContact CD2-CZ2 3.97Å; H236-W258 AromaticContact CE1-CE2 3.74Å; H236-W258 AromaticContact CE1-CZ2 3.83Å; H236-W258 AromaticContact CE1-NE1 3.21Å; H236-W258 PolarHBondContact CE1-NE1 2.76Å; H236-W258 AromaticContact NE2-CE2 3.63Å; H236-W258 AromaticContact NE2-CZ2 3.63Å; H236-W258 AromaticContact NE2-NE1 3.45Å; H236-W258 PolarHBondContact NE2-NE1 2.81Å
237	I	98.7	Very high	97.5	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	135.2	175.9	-59.9	-56.6	0	0	0	109.7	Y31 C87 W88 H132 C209	Y31-I237 HydrophobicContact CD2-CD1 3.4Å; Y31-I237 HydrophobicContact CD2-CG1 3.73Å; Y31-I237 HydrophobicContact CE2-CD1 3.84Å; Y31-I237 HydrophobicContact CG-CD1 3.87Å; Y31-I237 HydrophobicContact CG-CG1 4.23Å; C87-I237 HydrophobicContact CB-CB 4.33Å; C87-I237 WeakPolarHBondContact CB-O 3.34Å; C87-I237 PolarHBondContact SG-N 2.97Å; C87-I237 VanDerWaalsContact SG-N 3.4Å; W88-I237 HydrophobicContact CB-CG1 4.16Å; H132-I237 HydrophobicContact CB-CG1 4.38Å; H132-I237 HydrophobicContact CB-CG2 4.11Å; C209-I237 WeakPolarHBondContact O-CA 3.44Å
238	V	98.9	Very high	97.5	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.018	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	174.8	176.7	-68.6	0	0	0	0	110.1	S208 C209 I211 V254 R255 L287	S208-V238 CarbonylContact C-O 3.53Å; S208-V238 WeakPolarHBondContact CA-O 3.44Å; C209-V238 PolarHBondContact N-O 2.98Å; C209-V238 WeakPolarHBondContact O-CG2 3.34Å; C209-V238 PolarHBondContact O-N 3.29Å; I211-V238 HydrophobicContact CB-CG2 4.19Å; I211-V238 HydrophobicContact CG2-CB 4.46Å; I211-V238 HydrophobicContact CG2-CG1 3.76Å; I211-V238 HydrophobicContact CG2-CG2 3.92Å; V238-V254 HydrophobicContact CB-CG1 3.56Å; V238-V254 HydrophobicContact CG1-CG1 4.14Å; V238-V254 HydrophobicContact CG2-CG1 3.48Å; V238-V254 VanDerWaalsContact CG2-CG1 3.48Å; V238-R255 WeakPolarHBondContact CB-O 3.31Å; V238-L287 HydrophobicContact CG2-CD1 3.53Å
239	S	98.9	Very high	97.5	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.007	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	131.9	169.1	177.6	0	0	0	0	111.2	I207 V254 R255	I207-S239 CarbonylContact O-C 3.55Å; I207-S239 WeakPolarHBondContact O-CA 3.33Å; I207-S239 PolarHBondContact O-OG 3.45Å; S239-V254 CarbonylContact O-C 3.49Å; S239-V254 WeakPolarHBondContact O-CA 3.2Å; S239-R255 PolarHBondContact N-O 2.92Å; S239-R255 PolarHBondContact O-N 3.27Å
240	V	98.9	Very high	97.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	120.3	176.8	-171.2	0	0	0	0	108.7	M197 I201 P206 I207 C209 W252 V254 L287	M197-V240 HydrophobicContact CE-CG2 4.46Å; I201-V240 HydrophobicContact CD1-CB 4.08Å; I201-V240 HydrophobicContact CD1-CG1 3.7Å; P206-V240 VanDerWaalsContact CA-O 3.27Å; P206-V240 WeakPolarHBondContact CA-O 3.45Å; I207-V240 HydrophobicContact CG1-CB 4.12Å; I207-V240 PolarHBondContact N-O 3.03Å; I207-V240 PolarHBondContact O-N 2.04Å; C209-V240 HydrophobicContact CB-CG2 3.91Å; C209-V240 VanDerWaalsContact SG-CG2 3.5Å; V240-W252 HydrophobicContact CG1-CB 4.17Å; V240-W252 HydrophobicContact CG1-CD2 4.09Å; V240-W252 HydrophobicContact CG1-CE3 3.62Å; V240-W252 HydrophobicContact CG1-CG 4.35Å; V240-W252 HydrophobicContact CG1-CZ3 4.33Å; V240-V254 HydrophobicContact CG2-CG2 4.25Å; V240-L287 HydrophobicContact CG2-CD1 3.91Å; V240-L287 HydrophobicContact CG2-CD2 4.2Å; V240-L287 HydrophobicContact CG2-CG 4.19Å
241	A	98.9	Very high	97.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	4.8	-169.8	0	0	0	0	0	114	W63 P206 V253 W267	W63-A241 PolarHBondContact N-O 2.63Å; P206-A241 HydrophobicContact CB-CB 4.01Å; P206-A241 HydrophobicContact CG-CB 3.73Å; A241-V253 PolarHBondContact N-O 2.87Å; A241-W267 HydrophobicContact CB-CH2 4.16Å; A241-W267 HydrophobicContact CB-CZ3 3.8Å
242	G	98.9	Very high	98	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.8	-172.1	-176.8	0	0	0	0	0	112.9	W61 V253	W61-G242 CarbonylContact O-C 3.59Å; W61-G242 WeakPolarHBondContact O-CA 3.31Å; G242-V253 PolarHBondContact O-N 2.97Å
243	W	98.9	Very high	98.2	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.008	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	161.5	175.3	62	91.8	0	0	0	110.4	L57 P58 K59 W61 M198 I201 Y251 W252	L57-W243 HydrophobicContact CB-CZ2 4.38Å; P58-W243 HydrophobicContact CG-CZ2 4.28Å; P58-W243 WeakPolarHBondContact O-CZ2 3.34Å; P58-W243 PolarHBondContact O-NE1 2.98Å; K59-W243 PolarHBondContact O-NE1 2.93Å; W61-W243 HydrophobicContact CB-CD2 4Å; W61-W243 HydrophobicContact CB-CE3 4.11Å; W61-W243 HydrophobicContact CB-CH2 3.91Å; W61-W243 HydrophobicContact CB-CZ2 3.7Å; W61-W243 HydrophobicContact CB-CZ3 4.06Å; W61-W243 HydrophobicContact CG-CH2 4.35Å; W61-W243 HydrophobicContact CG-CZ3 4.45Å; W61-W243 PolarHBondContact N-O 3.48Å; W61-W243 PolarHBondContact O-N 3.19Å; M198-W243 HydrophobicContact CB-CE3 4.34Å; M198-W243 HydrophobicContact CB-CH2 3.74Å; M198-W243 HydrophobicContact CB-CZ2 4.29Å; M198-W243 HydrophobicContact CB-CZ3 3.84Å; M198-W243 HydrophobicContact CE-CD2 3.71Å; M198-W243 HydrophobicContact CE-CE3 4.45Å; M198-W243 HydrophobicContact CE-CG 3.91Å; M198-W243 HydrophobicContact CE-CH2 4.29Å; M198-W243 HydrophobicContact CE-CZ2 3.62Å; M198-W243 VanDerWaalsContact CE-NE1 3.26Å; M198-W243 HydrophobicContact CG-CD2 4.2Å; M198-W243 HydrophobicContact CG-CE3 4.06Å; M198-W243 HydrophobicContact CG-CH2 4.19Å; M198-W243 HydrophobicContact CG-CZ2 4.43Å; M198-W243 HydrophobicContact CG-CZ3 4.07Å; M198-W243 WeakPolarHBondContact O-CH2 2.97Å; M198-W243 WeakPolarHBondContact O-CZ3 3.41Å; I201-W243 HydrophobicContact CB-CZ3 4.17Å; I201-W243 HydrophobicContact CG2-CZ3 4.09Å; W243-Y251 CarbonylContact C-O 3.45Å; W243-Y251 WeakPolarHBondContact CA-O 3.29Å; W243-Y251 VanDerWaalsContact CB-O 3.28Å; W243-Y251 WeakPolarHBondContact CB-O 3.48Å; W243-W252 HydrophobicContact CB-CE3 4.01Å; W243-W252 HydrophobicContact CB-CZ3 4.21Å; W243-W252 HydrophobicContact CE3-CZ3 4.12Å
244	G	98.8	Very high	98.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	179.8	174.2	0	0	0	0	0	112.2	E250 Y251	G244-E250 CarbonylContact O-C 3.48Å; G244-E250 VanDerWaalsContact O-CA 3.3Å; G244-E250 WeakPolarHBondContact O-CA 3.49Å; G244-E250 WeakPolarHBondContact O-CG 3.48Å; G244-Y251 VanDerWaalsContact C-CE1 3.47Å; G244-Y251 PolarHBondContact N-O 3.48Å; G244-Y251 WeakPolarHBondContact O-CD1 3.43Å; G244-Y251 PolarHBondContact O-N 3.42Å
245	V	98.6	Very high	98.5	Very high	65 Å²	65	24.6 Å²	24.6	39%	0.394	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	126.6	175.1	-178.1	0	0	0	0	107.9	V249 E250	V245-V249 WeakPolarHBondContact CA-O 3.23Å; V245-E250 HydrophobicContact CG2-CB 4.3Å; V245-E250 HydrophobicContact CG2-CG 4.23Å
246	E	98.4	Very high	98.6	Very high	76 Å²	76	23.4 Å²	23.4	36%	0.355	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	127.2	173.1	176.6	177.5	97.4	0	0	107.5	I224 G248 V249 Y251 R269	I224-E246 HydrophobicContact CD1-CB 3.79Å; I224-E246 HydrophobicContact CD1-CG 4.29Å; E246-G248 PolarHBondContact O-N 3.4Å; E246-G248 VanDerWaalsContact O-N 3.1Å; E246-V249 PolarHBondContact N-O 2.82Å; E246-V249 WeakPolarHBondContact O-CB 3.46Å; E246-V249 PolarHBondContact O-N 3.09Å; E246-Y251 HydrophobicContact CB-CD1 4.46Å; E246-Y251 HydrophobicContact CB-CE1 3.9Å; E246-R269 IonicContact OE1-NH1 3.73Å; E246-R269 PolarHBondContact OE1-NH1 3.39Å; E246-R269 IonicContact OE2-CZ 3.13Å; E246-R269 IonicContact OE2-NH1 3.36Å; E246-R269 PolarHBondContact OE2-NH1 3.23Å
247	D	96.6	Very high	98.6	Very high	161 Å²	161	23.7 Å²	23.7	86%	0.861	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	38.1	-178.3	-58.6	-34.1	0	0	0	114.7	V249	D247-V249 PolarHBondContact O-N 3.46Å
248	G	96.8	Very high	98.6	Very high	72 Å²	72	23.8 Å²	23.8	74%	0.742	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.5	1.3	-179.2	0	0	0	0	0	114.8	E246	E246-G248 PolarHBondContact O-N 3.4Å; E246-G248 VanDerWaalsContact O-N 3.1Å
249	V	98.4	Very high	98.6	Very high	42 Å²	42	23.9 Å²	23.9	26%	0.255	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	118.8	175.2	-179.4	0	0	0	0	109.5	I224 V245 E246 D247 V271 Y275	I224-V249 HydrophobicContact CD1-CB 4.09Å; I224-V249 HydrophobicContact CD1-CG1 4.14Å; I224-V249 HydrophobicContact CG2-CG1 4.1Å; V245-V249 WeakPolarHBondContact CA-O 3.23Å; E246-V249 PolarHBondContact N-O 2.82Å; E246-V249 WeakPolarHBondContact O-CB 3.46Å; E246-V249 PolarHBondContact O-N 3.09Å; D247-V249 PolarHBondContact O-N 3.46Å; V249-V271 HydrophobicContact CG1-CG1 3.95Å; V249-Y275 HydrophobicContact CG1-CD2 3.92Å; V249-Y275 HydrophobicContact CG1-CE2 4.19Å; V249-Y275 HydrophobicContact CG2-CE2 4.42Å
250	E	98.8	Very high	98.6	Very high	25 Å²	25	29.6 Å²	29.6	12%	0.117	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	138.3	172.2	-166.5	-173.7	68.5	0	0	111	R194 G244 V245 T272	R194-E250 IonicContact CZ-OE1 3.86Å; R194-E250 VanDerWaalsContact CZ-OE1 3.28Å; R194-E250 IonicContact CZ-OE2 3.37Å; R194-E250 IonicContact NE-OE1 3.81Å; R194-E250 PolarHBondContact NE-OE1 3.03Å; R194-E250 IonicContact NE-OE2 2.74Å; R194-E250 VanDerWaalsContact NH2-CD 3.26Å; R194-E250 IonicContact NH2-OE1 3.18Å; R194-E250 PolarHBondContact NH2-OE1 2.85Å; R194-E250 IonicContact NH2-OE2 3.76Å; R194-E250 PolarHBondContact NH2-OE2 3.44Å; G244-E250 CarbonylContact O-C 3.48Å; G244-E250 VanDerWaalsContact O-CA 3.3Å; G244-E250 WeakPolarHBondContact O-CA 3.49Å; G244-E250 WeakPolarHBondContact O-CG 3.48Å; V245-E250 HydrophobicContact CG2-CB 4.3Å; V245-E250 HydrophobicContact CG2-CG 4.23Å; E250-T272 HydrophobicContact CB-CG2 4.26Å; E250-T272 HydrophobicContact CG-CG2 3.76Å; E250-T272 PolarHBondContact O-N 3.13Å; E250-T272 WeakPolarHBondContact OE1-CB 3.49Å; E250-T272 VanDerWaalsContact OE1-CG2 3.29Å; E250-T272 WeakPolarHBondContact OE1-CG2 3.42Å; E250-T272 PolarHBondContact OE1-OG1 3.36Å
251	Y	98.9	Very high	98.5	Very high	30 Å²	30	35.8 Å²	35.8	12%	0.118	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	153.6	179.6	63.3	-94.7	0	0	0	112.1	I224 W243 G244 E246 V253 R269 I270	I224-Y251 HydrophobicContact CD1-CD1 3.82Å; I224-Y251 HydrophobicContact CD1-CE1 4.42Å; I224-Y251 HydrophobicContact CG1-CD1 3.97Å; I224-Y251 HydrophobicContact CG1-CG 4.31Å; W243-Y251 CarbonylContact C-O 3.45Å; W243-Y251 WeakPolarHBondContact CA-O 3.29Å; W243-Y251 VanDerWaalsContact CB-O 3.28Å; W243-Y251 WeakPolarHBondContact CB-O 3.48Å; G244-Y251 VanDerWaalsContact C-CE1 3.47Å; G244-Y251 PolarHBondContact N-O 3.48Å; G244-Y251 WeakPolarHBondContact O-CD1 3.43Å; G244-Y251 PolarHBondContact O-N 3.42Å; E246-Y251 HydrophobicContact CB-CD1 4.46Å; E246-Y251 HydrophobicContact CB-CE1 3.9Å; Y251-V253 HydrophobicContact CD2-CG2 4.32Å; Y251-V253 HydrophobicContact CE2-CG2 3.83Å; Y251-R269 HydrophobicContact CD2-CB 3.75Å; Y251-R269 HydrophobicContact CD2-CG 3.63Å; Y251-R269 HydrophobicContact CE2-CB 4.25Å; Y251-R269 HydrophobicContact CE2-CG 3.64Å; Y251-R269 HydrophobicContact CG-CB 4.18Å; Y251-R269 HydrophobicContact CG-CG 4.45Å; Y251-I270 CarbonylContact C-O 3.46Å; Y251-I270 WeakPolarHBondContact CA-O 3.4Å; Y251-I270 WeakPolarHBondContact CB-O 3.28Å
252	W	98.9	Very high	98.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	142.5	166.7	-66.2	114.4	0	0	0	111.4	R194 M197 M198 I201 V240 W243 V254 R269 I270 T272 L287 E288	R194-W252 HydrophobicContact CB-CZ2 4.05Å; R194-W252 HydrophobicContact CG-CH2 4.28Å; R194-W252 HydrophobicContact CG-CZ2 3.88Å; M197-W252 HydrophobicContact CB-CH2 3.84Å; M197-W252 HydrophobicContact CB-CZ2 4.4Å; M197-W252 HydrophobicContact CB-CZ3 4.48Å; M197-W252 HydrophobicContact CE-CD2 4.47Å; M197-W252 HydrophobicContact CE-CH2 4.15Å; M197-W252 HydrophobicContact CE-CZ2 3.92Å; M197-W252 HydrophobicContact SD-CZ2 4.35Å; M198-W252 HydrophobicContact CG-CH2 3.59Å; M198-W252 HydrophobicContact CG-CZ3 3.97Å; I201-W252 HydrophobicContact CD1-CZ3 4.07Å; V240-W252 HydrophobicContact CG1-CB 4.17Å; V240-W252 HydrophobicContact CG1-CD2 4.09Å; V240-W252 HydrophobicContact CG1-CE3 3.62Å; V240-W252 HydrophobicContact CG1-CG 4.35Å; V240-W252 HydrophobicContact CG1-CZ3 4.33Å; W243-W252 HydrophobicContact CB-CE3 4.01Å; W243-W252 HydrophobicContact CB-CZ3 4.21Å; W243-W252 HydrophobicContact CE3-CZ3 4.12Å; W252-V254 HydrophobicContact CB-CG2 3.77Å; W252-R269 WeakPolarHBondContact O-CA 3.41Å; W252-I270 HydrophobicContact CB-CG2 4.06Å; W252-I270 PolarHBondContact N-O 2.99Å; W252-I270 PolarHBondContact O-N 2.96Å; W252-T272 HydrophobicContact CD2-CG2 3.99Å; W252-T272 HydrophobicContact CG-CG2 4.02Å; W252-T272 HydrophobicContact CZ2-CG2 4.28Å; W252-L287 HydrophobicContact CB-CD2 3.94Å; W252-L287 HydrophobicContact CG-CD2 3.93Å; W252-E288 HydrophobicContact CZ2-CG 4.32Å; W252-E288 PolarHBondContact NE1-OE1 3.23Å
253	V	98.9	Very high	98.5	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.012	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	112	168.3	176.8	0	0	0	0	108.3	A241 G242 Y251 W267	A241-V253 PolarHBondContact N-O 2.87Å; G242-V253 PolarHBondContact O-N 2.97Å; Y251-V253 HydrophobicContact CD2-CG2 4.32Å; Y251-V253 HydrophobicContact CE2-CG2 3.83Å; V253-W267 HydrophobicContact CG1-CE3 3.88Å; V253-W267 HydrophobicContact CG1-CZ3 4.04Å
254	V	98.9	Very high	98.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	126.2	-168.5	-175.8	0	0	0	0	110.5	V238 S239 V240 W252 W267 L268 I270 L287	V238-V254 HydrophobicContact CB-CG1 3.56Å; V238-V254 HydrophobicContact CG1-CG1 4.14Å; V238-V254 HydrophobicContact CG2-CG1 3.48Å; V238-V254 VanDerWaalsContact CG2-CG1 3.48Å; S239-V254 CarbonylContact O-C 3.49Å; S239-V254 WeakPolarHBondContact O-CA 3.2Å; V240-V254 HydrophobicContact CG2-CG2 4.25Å; W252-V254 HydrophobicContact CB-CG2 3.77Å; V254-W267 VanDerWaalsContact C-CE3 3.44Å; V254-W267 CarbonylContact O-C 3.29Å; V254-W267 VanDerWaalsContact O-CA 3.26Å; V254-W267 WeakPolarHBondContact O-CA 3.41Å; V254-W267 WeakPolarHBondContact O-CB 3.34Å; V254-L268 HydrophobicContact CB-CB 4.08Å; V254-L268 HydrophobicContact CB-CD2 4.31Å; V254-L268 HydrophobicContact CB-CG 4.42Å; V254-L268 HydrophobicContact CG1-CD2 4.39Å; V254-L268 PolarHBondContact N-O 3.4Å; V254-L268 PolarHBondContact O-N 3.4Å; V254-I270 HydrophobicContact CG2-CG2 3.8Å; V254-L287 HydrophobicContact CG2-CD2 3.7Å
255	R	98.9	Very high	98.4	Very high	7 Å²	7	46.1 Å²	46.1	3%	0.026	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	126.1	168.1	174.3	-174.4	-76.7	146.3	-13.3	109.3	S73 S94 D98 V238 S239 W267	S73-R255 VanDerWaalsContact N-NH2 3.19Å; S73-R255 PolarHBondContact O-NH2 3.31Å; S73-R255 PolarHBondContact OG-NH2 3.03Å; S94-R255 VanDerWaalsContact CB-NH1 3.35Å; S94-R255 PolarHBondContact O-NH1 2.77Å; D98-R255 IonicContact OD1-CZ 3.82Å; D98-R255 IonicContact OD1-NH1 3.24Å; D98-R255 PolarHBondContact OD1-NH1 3.41Å; D98-R255 VanDerWaalsContact OD1-NH1 3.13Å; D98-R255 IonicContact OD1-NH2 2.79Å; D98-R255 PolarHBondContact OD1-NH2 2.81Å; D98-R255 VanDerWaalsContact OD1-NH2 3.15Å; D98-R255 IonicContact OD2-CZ 3.55Å; D98-R255 IonicContact OD2-NH1 2.8Å; D98-R255 PolarHBondContact OD2-NH1 3.35Å; D98-R255 IonicContact OD2-NH2 2.9Å; D98-R255 PolarHBondContact OD2-NH2 3.38Å; V238-R255 WeakPolarHBondContact CB-O 3.31Å; S239-R255 PolarHBondContact N-O 2.92Å; S239-R255 PolarHBondContact O-N 3.27Å; R255-W267 HydrophobicContact CB-CD2 4.08Å; R255-W267 HydrophobicContact CB-CE3 3.8Å; R255-W267 HydrophobicContact CB-CH2 3.64Å; R255-W267 HydrophobicContact CB-CZ2 3.91Å; R255-W267 HydrophobicContact CB-CZ3 3.57Å; R255-W267 HydrophobicContact CG-CH2 4.33Å; R255-W267 HydrophobicContact CG-CZ2 4.15Å
256	N	98.8	Very high	98.4	Very high	4 Å²	4	43 Å²	43	2%	0.021	24%	0.242	C	C	.	.			trans	-100.3	172.3	166.5	-158.8	2.9	0	0	0	111	H236 W262 G266	H236-N256 PolarHBondContact NE2-OD1 3.39Å; N256-W262 HydrophobicContact CB-CE3 3.79Å; N256-W262 HydrophobicContact CB-CH2 3.98Å; N256-W262 HydrophobicContact CB-CZ3 3.34Å; N256-W262 WeakPolarHBondContact ND2-CH2 3.45Å; N256-W262 WeakPolarHBondContact ND2-CZ2 3.37Å; N256-W262 WeakPolarHBondContact ND2-CZ3 3.43Å; N256-G266 WeakPolarHBondContact CB-O 3.28Å; N256-G266 PolarHBondContact N-O 2.95Å
257	S	98.6	Very high	98.5	Very high	7 Å²	7	40.1 Å²	40.1	5%	0.049	23%	0.228	C	C	.	.	S	Bend	trans	-119.4	30.5	-176.6	47.9	0	0	0	0	112.8	R76 N77 Q78	R76-S257 CarbonylContact O-C 3.49Å; R76-S257 VanDerWaalsContact O-C 3.29Å; N77-S257 CarbonylContact C-O 3.49Å; N77-S257 WeakPolarHBondContact CA-O 3.34Å; Q78-S257 PolarHBondContact N-O 3.24Å; Q78-S257 PolarHBondContact OE1-OG 2.72Å
258	W	98.5	Very high	98.6	Very high	3 Å²	3	32.5 Å²	32.5	1%	0.011	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-105.7	15.1	-178.6	-58.8	-12.9	0	0	0	113.3	F23 F24 N77 H79 A213 H236 W262	F23-W258 HydrophobicContact CB-CD2 3.89Å; F23-W258 HydrophobicContact CB-CE3 3.91Å; F23-W258 HydrophobicContact CB-CG 4.28Å; F23-W258 HydrophobicContact CB-CZ3 4.39Å; F23-W258 HydrophobicContact CD2-CE3 4.49Å; F23-W258 HydrophobicContact CG-CE3 4.37Å; F24-W258 HydrophobicContact CB-CZ2 4.34Å; N77-W258 PolarHBondContact ND2-O 2.75Å; H79-W258 AromaticContact CE1-CD1 3.03Å; H79-W258 AromaticContact CE1-CE2 3.96Å; H79-W258 AromaticContact CE1-CG 3.61Å; H79-W258 AromaticContact CE1-NE1 3.24Å; H79-W258 PolarHBondContact CE1-NE1 2.91Å; H79-W258 AromaticContact ND1-CD1 3.72Å; H79-W258 AromaticContact NE2-CD1 3.76Å; H79-W258 AromaticContact NE2-NE1 3.76Å; A213-W258 HydrophobicContact CB-CH2 4.17Å; A213-W258 HydrophobicContact CB-CZ2 4.29Å; H236-W258 AromaticContact CD2-CZ2 3.97Å; H236-W258 AromaticContact CE1-CE2 3.74Å; H236-W258 AromaticContact CE1-CZ2 3.83Å; H236-W258 AromaticContact CE1-NE1 3.21Å; H236-W258 PolarHBondContact CE1-NE1 2.76Å; H236-W258 AromaticContact NE2-CE2 3.63Å; H236-W258 AromaticContact NE2-CZ2 3.63Å; H236-W258 AromaticContact NE2-NE1 3.45Å; H236-W258 PolarHBondContact NE2-NE1 2.81Å; W258-W262 HydrophobicContact CB-CB 4.13Å; W258-W262 HydrophobicContact CB-CG 4.18Å; W258-W262 AromaticContact CE3-CD1 3.65Å; W258-W262 AromaticContact CE3-CD2 3.79Å; W258-W262 HydrophobicContact CE3-CD2 3.79Å; W258-W262 AromaticContact CE3-CE2 3.43Å; W258-W262 VanDerWaalsContact CE3-CE2 3.43Å; W258-W262 AromaticContact CE3-CG 3.91Å; W258-W262 HydrophobicContact CE3-CG 3.91Å; W258-W262 AromaticContact CE3-CZ2 3.94Å; W258-W262 HydrophobicContact CE3-CZ2 3.94Å; W258-W262 AromaticContact CE3-NE1 3.36Å; W258-W262 HydrophobicContact CZ3-CD2 4.44Å; W258-W262 AromaticContact CZ3-CE2 3.63Å; W258-W262 AromaticContact CZ3-CZ2 3.78Å; W258-W262 HydrophobicContact CZ3-CZ2 3.78Å; W258-W262 AromaticContact CZ3-NE1 3.52Å
259	G	98.4	Very high	98.7	Very high	5 Å²	5	30.7 Å²	30.7	5%	0.052	16%	0.158	C	C	.	.			trans	85.6	160.4	-179	0	0	0	0	0	114.2	R76 P261 W262 G266	R76-G259 WeakPolarHBondContact O-CA 3.23Å; R76-G259 PolarHBondContact O-N 3.13Å; G259-P261 VanDerWaalsContact C-N 3.33Å; G259-W262 PolarHBondContact O-N 2.93Å; G259-G266 VanDerWaalsContact O-CA 3.29Å; G259-G266 WeakPolarHBondContact O-CA 3.06Å
260	E	98.5	Very high	98.7	Very high	120 Å²	120	28.7 Å²	28.7	56%	0.561	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-35.6	178.7	-168.1	-177.5	-168.5	0	0	114.5	W262 K265 G266	E260-W262 PolarHBondContact O-N 3.39Å; E260-W262 VanDerWaalsContact O-N 3.14Å; E260-K265 HydrophobicContact CG-CB 3.83Å; E260-K265 HydrophobicContact CG-CG 4.37Å; E260-K265 CarbonylContact O-C 3.07Å; E260-K265 VanDerWaalsContact O-C 3.26Å; E260-K265 WeakPolarHBondContact O-CA 3.01Å; E260-G266 PolarHBondContact O-N 3.01Å; E260-G266 VanDerWaalsContact O-N 3.11Å
261	P	98.1	Very high	98.7	Very high	130 Å²	130	27.6 Å²	27.6	84%	0.844	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-18.9	-179.9	-26.3	36.8	0	0	0	115.3	G259	G259-P261 VanDerWaalsContact C-N 3.33Å
262	W	98.5	Very high	98.7	Very high	8 Å²	8	26.2 Å²	26.2	3%	0.03	14%	0.135	C	C	.	.	S	Bend	trans	-85.3	139.5	178.5	177.9	85.9	0	0	0	111.3	L217 D218 Y220 N256 W258 G259 E260 G266 L268	L217-W262 HydrophobicContact CD1-CH2 4.44Å; L217-W262 HydrophobicContact CD1-CZ2 4.18Å; L217-W262 HydrophobicContact CG-CZ2 4.21Å; L217-W262 WeakPolarHBondContact O-CZ2 3.42Å; L217-W262 PolarHBondContact O-NE1 3.31Å; D218-W262 PolarHBondContact O-NE1 3.22Å; D218-W262 VanDerWaalsContact O-NE1 3.09Å; Y220-W262 AromaticContact CD1-CH2 3.93Å; Y220-W262 HydrophobicContact CD1-CH2 3.93Å; Y220-W262 AromaticContact CD1-CZ2 3.92Å; Y220-W262 HydrophobicContact CD1-CZ2 3.92Å; Y220-W262 HydrophobicContact CD1-CZ3 4.41Å; Y220-W262 HydrophobicContact CG-CZ2 4.47Å; N256-W262 HydrophobicContact CB-CE3 3.79Å; N256-W262 HydrophobicContact CB-CH2 3.98Å; N256-W262 HydrophobicContact CB-CZ3 3.34Å; N256-W262 WeakPolarHBondContact ND2-CH2 3.45Å; N256-W262 WeakPolarHBondContact ND2-CZ2 3.37Å; N256-W262 WeakPolarHBondContact ND2-CZ3 3.43Å; W258-W262 HydrophobicContact CB-CB 4.13Å; W258-W262 HydrophobicContact CB-CG 4.18Å; W258-W262 AromaticContact CE3-CD1 3.65Å; W258-W262 AromaticContact CE3-CD2 3.79Å; W258-W262 HydrophobicContact CE3-CD2 3.79Å; W258-W262 AromaticContact CE3-CE2 3.43Å; W258-W262 VanDerWaalsContact CE3-CE2 3.43Å; W258-W262 AromaticContact CE3-CG 3.91Å; W258-W262 HydrophobicContact CE3-CG 3.91Å; W258-W262 AromaticContact CE3-CZ2 3.94Å; W258-W262 HydrophobicContact CE3-CZ2 3.94Å; W258-W262 AromaticContact CE3-NE1 3.36Å; W258-W262 HydrophobicContact CZ3-CD2 4.44Å; W258-W262 AromaticContact CZ3-CE2 3.63Å; W258-W262 AromaticContact CZ3-CZ2 3.78Å; W258-W262 HydrophobicContact CZ3-CZ2 3.78Å; W258-W262 AromaticContact CZ3-NE1 3.52Å; G259-W262 PolarHBondContact O-N 2.93Å; E260-W262 PolarHBondContact O-N 3.39Å; E260-W262 VanDerWaalsContact O-N 3.14Å; W262-G266 WeakPolarHBondContact O-CA 3.36Å; W262-G266 PolarHBondContact O-N 3.37Å; W262-L268 HydrophobicContact CH2-CB 3.94Å; W262-L268 HydrophobicContact CZ3-CB 4.17Å
263	G	98.6	Very high	98.7	Very high	15 Å²	15	27.2 Å²	27.2	16%	0.155	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	-139.8	175.5	0	0	0	0	0	114.2	Y220 K265	Y220-G263 WeakPolarHBondContact O-CA 3.11Å; Y220-G263 PolarHBondContact O-N 3.22Å; G263-K265 PolarHBondContact O-N 3.48Å
264	E	98.7	Very high	98.7	Very high	49 Å²	49	29.5 Å²	29.5	23%	0.229	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-91.9	76.1	-179.2	-58.7	-176.4	153.3	0	0	110	Y220 G223 G266 W267 R269	Y220-E264 HydrophobicContact CE1-CG 4.25Å; Y220-E264 VanDerWaalsContact OH-CD 3.3Å; Y220-E264 PolarHBondContact OH-OE1 3.01Å; G223-E264 PolarHBondContact N-OE1 3.48Å; E264-G266 VanDerWaalsContact C-N 3.33Å; E264-G266 PolarHBondContact O-N 2.94Å; E264-W267 PolarHBondContact N-O 3.11Å; E264-W267 WeakPolarHBondContact O-CB 3.27Å; E264-W267 PolarHBondContact O-N 3.16Å; E264-W267 VanDerWaalsContact O-N 3.15Å; E264-R269 IonicContact OE1-CZ 3.42Å; E264-R269 IonicContact OE1-NE 3.46Å; E264-R269 PolarHBondContact OE1-NE 2.82Å; E264-R269 VanDerWaalsContact OE1-NE 3.16Å; E264-R269 IonicContact OE1-NH2 2.87Å; E264-R269 PolarHBondContact OE1-NH2 3.42Å; E264-R269 WeakPolarHBondContact OE2-CG 3.17Å; E264-R269 IonicContact OE2-CZ 2.74Å; E264-R269 IonicContact OE2-NE 3.96Å; E264-R269 PolarHBondContact OE2-NE 2.99Å; E264-R269 IonicContact OE2-NH2 3.28Å
265	K	98.4	Very high	98.6	Very high	148 Å²	148	32.3 Å²	32.3	64%	0.643	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.1	37.4	-175	-58.5	-175	177.4	-175.6	0	113.5	E260 G263 W267	E260-K265 HydrophobicContact CG-CB 3.83Å; E260-K265 HydrophobicContact CG-CG 4.37Å; E260-K265 CarbonylContact O-C 3.07Å; E260-K265 VanDerWaalsContact O-C 3.26Å; E260-K265 WeakPolarHBondContact O-CA 3.01Å; G263-K265 PolarHBondContact O-N 3.48Å; K265-W267 VanDerWaalsContact C-N 3.34Å; K265-W267 VanDerWaalsContact O-CD1 3.28Å
266	G	98.6	Very high	98.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.1	5.5	-174.7	0	0	0	0	0	114.3	N256 G259 E260 W262 E264	N256-G266 WeakPolarHBondContact CB-O 3.28Å; N256-G266 PolarHBondContact N-O 2.95Å; G259-G266 VanDerWaalsContact O-CA 3.29Å; G259-G266 WeakPolarHBondContact O-CA 3.06Å; E260-G266 PolarHBondContact O-N 3.01Å; E260-G266 VanDerWaalsContact O-N 3.11Å; W262-G266 WeakPolarHBondContact O-CA 3.36Å; W262-G266 PolarHBondContact O-N 3.37Å; E264-G266 VanDerWaalsContact C-N 3.33Å; E264-G266 PolarHBondContact O-N 2.94Å
267	W	98.9	Very high	98.4	Very high	14 Å²	14	41 Å²	41	5%	0.053	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	161.1	179.3	-62.8	71.9	0	0	0	111.6	R64 V72 T75 A241 V253 V254 R255 E264 K265	R64-W267 HydrophobicContact CG-CH2 3.89Å; R64-W267 HydrophobicContact CG-CZ2 4.18Å; R64-W267 HydrophobicContact CG-CZ3 4.19Å; V72-W267 HydrophobicContact CB-CH2 4.28Å; V72-W267 HydrophobicContact CG1-CH2 4.35Å; V72-W267 HydrophobicContact CG2-CH2 3.87Å; V72-W267 HydrophobicContact CG2-CZ2 3.73Å; T75-W267 PolarHBondContact OG1-NE1 3.01Å; A241-W267 HydrophobicContact CB-CH2 4.16Å; A241-W267 HydrophobicContact CB-CZ3 3.8Å; V253-W267 HydrophobicContact CG1-CE3 3.88Å; V253-W267 HydrophobicContact CG1-CZ3 4.04Å; V254-W267 VanDerWaalsContact C-CE3 3.44Å; V254-W267 CarbonylContact O-C 3.29Å; V254-W267 VanDerWaalsContact O-CA 3.26Å; V254-W267 WeakPolarHBondContact O-CA 3.41Å; V254-W267 WeakPolarHBondContact O-CB 3.34Å; R255-W267 HydrophobicContact CB-CD2 4.08Å; R255-W267 HydrophobicContact CB-CE3 3.8Å; R255-W267 HydrophobicContact CB-CH2 3.64Å; R255-W267 HydrophobicContact CB-CZ2 3.91Å; R255-W267 HydrophobicContact CB-CZ3 3.57Å; R255-W267 HydrophobicContact CG-CH2 4.33Å; R255-W267 HydrophobicContact CG-CZ2 4.15Å; E264-W267 PolarHBondContact N-O 3.11Å; E264-W267 WeakPolarHBondContact O-CB 3.27Å; E264-W267 PolarHBondContact O-N 3.16Å; E264-W267 VanDerWaalsContact O-N 3.15Å; K265-W267 VanDerWaalsContact C-N 3.34Å; K265-W267 VanDerWaalsContact O-CD1 3.28Å
268	L	98.9	Very high	98.2	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.01	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	137.5	-178.6	167.3	71.6	0	0	0	109	I211 L217 Y220 Y225 V254 W262 I270	I211-L268 HydrophobicContact CD1-CD2 4.19Å; L217-L268 HydrophobicContact CD1-CD1 3.94Å; L217-L268 HydrophobicContact CD1-CD2 3.91Å; Y220-L268 HydrophobicContact CD1-CD1 3.85Å; Y220-L268 HydrophobicContact CD2-CD1 4.29Å; Y220-L268 HydrophobicContact CE1-CB 4.29Å; Y220-L268 HydrophobicContact CE1-CD1 3.63Å; Y220-L268 HydrophobicContact CE2-CD1 4.05Å; Y220-L268 HydrophobicContact CG-CD1 4.16Å; Y225-L268 HydrophobicContact CD2-CD1 4.38Å; Y225-L268 HydrophobicContact CG-CD1 4.07Å; V254-L268 HydrophobicContact CB-CB 4.08Å; V254-L268 HydrophobicContact CB-CD2 4.31Å; V254-L268 HydrophobicContact CB-CG 4.42Å; V254-L268 HydrophobicContact CG1-CD2 4.39Å; V254-L268 PolarHBondContact N-O 3.4Å; V254-L268 PolarHBondContact O-N 3.4Å; W262-L268 HydrophobicContact CH2-CB 3.94Å; W262-L268 HydrophobicContact CZ3-CB 4.17Å; L268-I270 HydrophobicContact CD1-CB 4.37Å; L268-I270 HydrophobicContact CD2-CB 4.07Å; L268-I270 HydrophobicContact CD2-CD1 4.42Å; L268-I270 HydrophobicContact CD2-CG2 4.03Å; L268-I270 HydrophobicContact CG-CB 4.06Å; L268-I270 HydrophobicContact CG-CG2 4.25Å
269	R	98.9	Very high	98.2	Very high	34 Å²	34	45.1 Å²	45.1	13%	0.128	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	125.1	159.7	-67.6	-177.4	-68.4	150.8	1.6	108.3	Y220 Y225 E246 Y251 W252 E264	Y220-R269 PolarHBondContact OH-N 2.91Å; Y225-R269 WeakPolarHBondContact CB-O 3.4Å; Y225-R269 PolarHBondContact N-O 3.01Å; E246-R269 IonicContact OE1-NH1 3.73Å; E246-R269 PolarHBondContact OE1-NH1 3.39Å; E246-R269 IonicContact OE2-CZ 3.13Å; E246-R269 IonicContact OE2-NH1 3.36Å; E246-R269 PolarHBondContact OE2-NH1 3.23Å; Y251-R269 HydrophobicContact CD2-CB 3.75Å; Y251-R269 HydrophobicContact CD2-CG 3.63Å; Y251-R269 HydrophobicContact CE2-CB 4.25Å; Y251-R269 HydrophobicContact CE2-CG 3.64Å; Y251-R269 HydrophobicContact CG-CB 4.18Å; Y251-R269 HydrophobicContact CG-CG 4.45Å; W252-R269 WeakPolarHBondContact O-CA 3.41Å; E264-R269 IonicContact OE1-CZ 3.42Å; E264-R269 IonicContact OE1-NE 3.46Å; E264-R269 PolarHBondContact OE1-NE 2.82Å; E264-R269 VanDerWaalsContact OE1-NE 3.16Å; E264-R269 IonicContact OE1-NH2 2.87Å; E264-R269 PolarHBondContact OE1-NH2 3.42Å; E264-R269 WeakPolarHBondContact OE2-CG 3.17Å; E264-R269 IonicContact OE2-CZ 2.74Å; E264-R269 IonicContact OE2-NE 3.96Å; E264-R269 PolarHBondContact OE2-NE 2.99Å; E264-R269 IonicContact OE2-NH2 3.28Å
270	I	98.9	Very high	98.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	140.6	-178	-176.1	167.9	0	0	0	110.1	I211 Y225 Y251 W252 V254 L268 N284 L285 L287	I211-I270 HydrophobicContact CD1-CD1 4.11Å; Y225-I270 HydrophobicContact CD1-CD1 3.77Å; Y225-I270 HydrophobicContact CD1-CG1 4.01Å; Y225-I270 HydrophobicContact CE1-CD1 4.49Å; Y225-I270 WeakPolarHBondContact O-CA 3.49Å; Y251-I270 CarbonylContact C-O 3.46Å; Y251-I270 WeakPolarHBondContact CA-O 3.4Å; Y251-I270 WeakPolarHBondContact CB-O 3.28Å; W252-I270 HydrophobicContact CB-CG2 4.06Å; W252-I270 PolarHBondContact N-O 2.99Å; W252-I270 PolarHBondContact O-N 2.96Å; V254-I270 HydrophobicContact CG2-CG2 3.8Å; L268-I270 HydrophobicContact CD1-CB 4.37Å; L268-I270 HydrophobicContact CD2-CB 4.07Å; L268-I270 HydrophobicContact CD2-CD1 4.42Å; L268-I270 HydrophobicContact CD2-CG2 4.03Å; L268-I270 HydrophobicContact CG-CB 4.06Å; L268-I270 HydrophobicContact CG-CG2 4.25Å; I270-N284 HydrophobicContact CD1-CB 4.44Å; I270-N284 HydrophobicContact CG1-CB 4.34Å; I270-L285 HydrophobicContact CD1-CB 4.31Å; I270-L285 HydrophobicContact CD1-CD1 4.02Å; I270-L285 HydrophobicContact CD1-CG 4.16Å; I270-L287 HydrophobicContact CG2-CD2 3.52Å
271	V	98.9	Very high	98.1	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.012	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53	148.1	-178.1	-67.4	0	0	0	0	113	I224 Y225 V249 Y275 N284	I224-V271 HydrophobicContact CG2-CG1 3.66Å; Y225-V271 PolarHBondContact O-N 3.02Å; V249-V271 HydrophobicContact CG1-CG1 3.95Å; V271-Y275 HydrophobicContact CB-CD1 4.12Å; V271-Y275 HydrophobicContact CB-CD2 4.33Å; V271-Y275 HydrophobicContact CB-CG 3.84Å; V271-Y275 HydrophobicContact CG1-CD1 4.02Å; V271-Y275 HydrophobicContact CG1-CD2 3.78Å; V271-Y275 HydrophobicContact CG1-CE1 4.31Å; V271-Y275 HydrophobicContact CG1-CE2 4.1Å; V271-Y275 HydrophobicContact CG1-CG 3.74Å; V271-Y275 HydrophobicContact CG2-CD1 4Å; V271-Y275 HydrophobicContact CG2-CG 4.23Å; V271-N284 HydrophobicContact CG2-CB 4.21Å; V271-N284 WeakPolarHBondContact O-CB 3.27Å
272	T	98.9	Very high	98.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	24%	0.236	C	C	.	.			trans	-88.7	173	170.6	75.6	0	0	0	0	111.3	E250 W252 A274 Y275 G280 E288	E250-T272 HydrophobicContact CB-CG2 4.26Å; E250-T272 HydrophobicContact CG-CG2 3.76Å; E250-T272 PolarHBondContact O-N 3.13Å; E250-T272 WeakPolarHBondContact OE1-CB 3.49Å; E250-T272 VanDerWaalsContact OE1-CG2 3.29Å; E250-T272 WeakPolarHBondContact OE1-CG2 3.42Å; E250-T272 PolarHBondContact OE1-OG1 3.36Å; W252-T272 HydrophobicContact CD2-CG2 3.99Å; W252-T272 HydrophobicContact CG-CG2 4.02Å; W252-T272 HydrophobicContact CZ2-CG2 4.28Å; T272-A274 PolarHBondContact O-N 3.47Å; T272-A274 VanDerWaalsContact O-N 3.12Å; T272-A274 WeakPolarHBondContact OG1-CB 3.5Å; T272-A274 PolarHBondContact OG1-N 3.17Å; T272-Y275 VanDerWaalsContact O-CB 3.25Å; T272-Y275 WeakPolarHBondContact O-CB 3.37Å; T272-Y275 PolarHBondContact O-N 2.78Å; T272-G280 WeakPolarHBondContact O-CA 3.35Å; T272-E288 WeakPolarHBondContact CA-OE1 3.45Å
273	S	98.6	Very high	98.1	Very high	22 Å²	22	40.5 Å²	40.5	15%	0.154	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-21.3	172.9	47.3	0	0	0	0	114.2	R194 Y275 G278 G280 S281 E288	R194-S273 VanDerWaalsContact CB-OG 3.31Å; R194-S273 WeakPolarHBondContact CB-OG 3.12Å; R194-S273 WeakPolarHBondContact CD-OG 3.43Å; S273-Y275 PolarHBondContact O-N 2.99Å; S273-G278 CarbonylContact O-C 3.52Å; S273-G278 VanDerWaalsContact O-CA 3.23Å; S273-G278 WeakPolarHBondContact O-CA 3.48Å; S273-G280 WeakPolarHBondContact O-CA 3.45Å; S273-G280 PolarHBondContact O-N 3.49Å; S273-S281 WeakPolarHBondContact CB-OG 3.34Å; S273-E288 WeakPolarHBondContact CB-OE2 3.41Å; S273-E288 PolarHBondContact N-OE1 3.34Å; S273-E288 PolarHBondContact OG-OE1 3.4Å; S273-E288 PolarHBondContact OG-OE2 2.88Å
274	A	98.1	Very high	98.1	Very high	49 Å²	49	39.8 Å²	39.8	41%	0.405	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-17.9	175.7	0	0	0	0	0	113.5	T272 G278	T272-A274 PolarHBondContact O-N 3.47Å; T272-A274 VanDerWaalsContact O-N 3.12Å; T272-A274 WeakPolarHBondContact OG1-CB 3.5Å; T272-A274 PolarHBondContact OG1-N 3.17Å; A274-G278 PolarHBondContact O-N 3.01Å
275	Y	98.5	Very high	98.1	Very high	59 Å²	59	37.5 Å²	37.5	23%	0.231	22%	0.224	C	C	.	.	H	α-helix	trans	-58.2	147.9	-178.9	-177.6	-116.2	0	0	0	112.8	V249 V271 T272 S273 G277 G278 S279 G280 Y283	V249-Y275 HydrophobicContact CG1-CD2 3.92Å; V249-Y275 HydrophobicContact CG1-CE2 4.19Å; V249-Y275 HydrophobicContact CG2-CE2 4.42Å; V271-Y275 HydrophobicContact CB-CD1 4.12Å; V271-Y275 HydrophobicContact CB-CD2 4.33Å; V271-Y275 HydrophobicContact CB-CG 3.84Å; V271-Y275 HydrophobicContact CG1-CD1 4.02Å; V271-Y275 HydrophobicContact CG1-CD2 3.78Å; V271-Y275 HydrophobicContact CG1-CE1 4.31Å; V271-Y275 HydrophobicContact CG1-CE2 4.1Å; V271-Y275 HydrophobicContact CG1-CG 3.74Å; V271-Y275 HydrophobicContact CG2-CD1 4Å; V271-Y275 HydrophobicContact CG2-CG 4.23Å; T272-Y275 VanDerWaalsContact O-CB 3.25Å; T272-Y275 WeakPolarHBondContact O-CB 3.37Å; T272-Y275 PolarHBondContact O-N 2.78Å; S273-Y275 PolarHBondContact O-N 2.99Å; Y275-G277 VanDerWaalsContact C-N 3.33Å; Y275-G277 PolarHBondContact O-N 2.88Å; Y275-G278 PolarHBondContact O-N 2.04Å; Y275-S279 CarbonylContact O-C 3.16Å; Y275-S279 PolarHBondContact O-N 3.02Å; Y275-G280 PolarHBondContact O-N 2.83Å; Y275-Y283 HydrophobicContact CD1-CD2 4.17Å; Y275-Y283 HydrophobicContact CD1-CG 4.01Å; Y275-Y283 HydrophobicContact CE1-CD1 4.15Å; Y275-Y283 HydrophobicContact CE1-CD2 4.42Å; Y275-Y283 HydrophobicContact CE1-CG 4.03Å
276	K	97.1	Very high	98.1	Very high	109 Å²	109	30.7 Å²	30.7	47%	0.474	20%	0.196	S	C	.	.	H	α-helix	trans	47.1	51.5	-178.8	-74.7	-179.9	176.3	-168.3	0	113.2	G278 S279 Y283	K276-G278 PolarHBondContact O-N 3.45Å; K276-S279 WeakPolarHBondContact CB-OG 3.01Å; K276-S279 PolarHBondContact O-N 3.36Å; K276-S279 PolarHBondContact O-OG 2.85Å; K276-Y283 HydrophobicContact CD-CD2 4.37Å; K276-Y283 HydrophobicContact CD-CE1 4.08Å; K276-Y283 HydrophobicContact CD-CE2 3.74Å; K276-Y283 VanDerWaalsContact NZ-CE1 3.27Å; K276-Y283 VanDerWaalsContact NZ-CZ 3.27Å; K276-Y283 PolarHBondContact NZ-OH 2.76Å
277	G	94.8	Very high	98.2	Very high	86 Å²	86	30.7 Å²	30.7	89%	0.887	20%	0.196	S	C	*	.	H	α-helix	trans	67	32.7	176.2	0	0	0	0	0	114	Y275	Y275-G277 VanDerWaalsContact C-N 3.33Å; Y275-G277 PolarHBondContact O-N 2.88Å
278	G	96.3	Very high	98.1	Very high	53 Å²	53	30.2 Å²	30.2	55%	0.546	19%	0.194	S	C	.	.	H	α-helix	trans	93.8	8	179.4	0	0	0	0	0	115.3	S273 A274 Y275 K276	S273-G278 CarbonylContact O-C 3.52Å; S273-G278 VanDerWaalsContact O-CA 3.23Å; S273-G278 WeakPolarHBondContact O-CA 3.48Å; A274-G278 PolarHBondContact O-N 3.01Å; Y275-G278 PolarHBondContact O-N 2.04Å; K276-G278 PolarHBondContact O-N 3.45Å
279	S	96.9	Very high	98.1	Very high	42 Å²	42	35.4 Å²	35.4	29%	0.294	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	10.5	175.9	59.9	0	0	0	0	113.3	Y275 K276 S281 Q282 Y283	Y275-S279 CarbonylContact O-C 3.16Å; Y275-S279 PolarHBondContact O-N 3.02Å; K276-S279 WeakPolarHBondContact CB-OG 3.01Å; K276-S279 PolarHBondContact O-N 3.36Å; K276-S279 PolarHBondContact O-OG 2.85Å; S279-S281 PolarHBondContact O-N 3.03Å; S279-S281 VanDerWaalsContact O-N 3.14Å; S279-Q282 PolarHBondContact O-N 2.91Å; S279-Y283 WeakPolarHBondContact O-CD2 3.25Å
280	G	98	Very high	98.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-62.8	-21.8	-172.3	0	0	0	0	0	115.2	T272 S273 Y275 Q282 Y283 N284	T272-G280 WeakPolarHBondContact O-CA 3.35Å; S273-G280 WeakPolarHBondContact O-CA 3.45Å; S273-G280 PolarHBondContact O-N 3.49Å; Y275-G280 PolarHBondContact O-N 2.83Å; G280-Q282 PolarHBondContact O-N 2.05Å; G280-Q282 VanDerWaalsContact O-N 3.17Å; G280-Y283 WeakPolarHBondContact O-CA 3.26Å; G280-Y283 PolarHBondContact O-N 3.42Å; G280-N284 PolarHBondContact O-N 2.75Å; G280-N284 VanDerWaalsContact O-N 3.12Å
281	S	97.8	Very high	98.1	Very high	47 Å²	47	34.4 Å²	34.4	33%	0.329	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-60.6	-23.8	176	-56.1	0	0	0	0	113.3	S273 S279 Y283 N284	S273-S281 WeakPolarHBondContact CB-OG 3.34Å; S279-S281 PolarHBondContact O-N 3.03Å; S279-S281 VanDerWaalsContact O-N 3.14Å; S281-Y283 VanDerWaalsContact C-N 3.28Å; S281-N284 WeakPolarHBondContact CA-OD1 3.37Å; S281-N284 PolarHBondContact O-OD1 3.36Å; S281-N284 VanDerWaalsContact O-OD1 3.08Å
282	Q	98.3	Very high	98	Very high	82 Å²	82	34.3 Å²	34.3	38%	0.383	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-80.4	-10.5	173.2	-62.2	-176.7	-57.4	0	0	113.1	Y228 Q229 S279 G280	Y228-Q282 CarbonylContact C-O 3.52Å; Y228-Q282 VanDerWaalsContact CA-O 3.28Å; Y228-Q282 WeakPolarHBondContact CA-O 3.48Å; Y228-Q282 HydrophobicContact CD2-CB 3.98Å; Y228-Q282 HydrophobicContact CE2-CB 3.88Å; Y228-Q282 HydrophobicContact CE2-CG 4.4Å; Q229-Q282 PolarHBondContact N-O 2.79Å; S279-Q282 PolarHBondContact O-N 2.91Å; G280-Q282 PolarHBondContact O-N 2.05Å; G280-Q282 VanDerWaalsContact O-N 3.17Å
283	Y	98.8	Very high	98	Very high	37 Å²	37	34.9 Å²	34.9	15%	0.145	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-9.3	-173.1	-65.7	-92.5	0	0	0	113.7	E227 Y228 Y275 K276 S279 G280 S281	E227-Y283 PolarHBondContact N-O 3.45Å; E227-Y283 CarbonylContact O-C 3.14Å; E227-Y283 VanDerWaalsContact O-CA 3.23Å; E227-Y283 WeakPolarHBondContact O-CA 3.5Å; Y228-Y283 HydrophobicContact CD2-CD1 4.47Å; Y228-Y283 AromaticContact CD2-CE1 3.87Å; Y228-Y283 HydrophobicContact CD2-CE1 3.87Å; Y228-Y283 AromaticContact CD2-CE2 3.91Å; Y228-Y283 HydrophobicContact CD2-CE2 3.91Å; Y228-Y283 AromaticContact CD2-CZ 3.54Å; Y228-Y283 HydrophobicContact CG-CE1 4.25Å; Y275-Y283 HydrophobicContact CD1-CD2 4.17Å; Y275-Y283 HydrophobicContact CD1-CG 4.01Å; Y275-Y283 HydrophobicContact CE1-CD1 4.15Å; Y275-Y283 HydrophobicContact CE1-CD2 4.42Å; Y275-Y283 HydrophobicContact CE1-CG 4.03Å; K276-Y283 HydrophobicContact CD-CD2 4.37Å; K276-Y283 HydrophobicContact CD-CE1 4.08Å; K276-Y283 HydrophobicContact CD-CE2 3.74Å; K276-Y283 VanDerWaalsContact NZ-CE1 3.27Å; K276-Y283 VanDerWaalsContact NZ-CZ 3.27Å; K276-Y283 PolarHBondContact NZ-OH 2.76Å; S279-Y283 WeakPolarHBondContact O-CD2 3.25Å; G280-Y283 WeakPolarHBondContact O-CA 3.26Å; G280-Y283 PolarHBondContact O-N 3.42Å; S281-Y283 VanDerWaalsContact C-N 3.28Å
284	N	98.6	Very high	98	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-106.9	16.8	-171.6	73.5	4	0	0	0	113.6	I270 V271 G280 S281 A286 L287 E288	I270-N284 HydrophobicContact CD1-CB 4.44Å; I270-N284 HydrophobicContact CG1-CB 4.34Å; V271-N284 HydrophobicContact CG2-CB 4.21Å; V271-N284 WeakPolarHBondContact O-CB 3.27Å; G280-N284 PolarHBondContact O-N 2.75Å; G280-N284 VanDerWaalsContact O-N 3.12Å; S281-N284 WeakPolarHBondContact CA-OD1 3.37Å; S281-N284 PolarHBondContact O-OD1 3.36Å; S281-N284 VanDerWaalsContact O-OD1 3.08Å; N284-A286 VanDerWaalsContact C-N 3.27Å; N284-A286 PolarHBondContact O-N 3Å; N284-A286 PolarHBondContact OD1-N 3.11Å; N284-L287 VanDerWaalsContact O-CB 3.24Å; N284-L287 WeakPolarHBondContact O-CB 3.3Å; N284-L287 PolarHBondContact O-N 2.81Å; N284-L287 VanDerWaalsContact O-N 3.1Å; N284-E288 PolarHBondContact ND2-OE1 2.79Å
285	L	98.6	Very high	98	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	36	173.2	-59.1	175.1	0	0	0	113.8	I211 M212 T214 L217 Y225 E227 Q229 I270 L287	I211-L285 HydrophobicContact CD1-CB 4.09Å; I211-L285 HydrophobicContact CD1-CD1 4.2Å; I211-L285 HydrophobicContact CG1-CB 3.59Å; I211-L285 HydrophobicContact CG1-CD1 4.31Å; M212-L285 HydrophobicContact CB-CB 4.15Å; M212-L285 HydrophobicContact CB-CD2 4.43Å; M212-L285 PolarHBondContact N-O 3.34Å; M212-L285 WeakPolarHBondContact O-CD1 3.47Å; T214-L285 HydrophobicContact CG2-CD2 3.83Å; L217-L285 HydrophobicContact CB-CD1 4.25Å; L217-L285 HydrophobicContact CD1-CD1 4.28Å; L217-L285 HydrophobicContact CD2-CD1 3.96Å; L217-L285 HydrophobicContact CG-CD1 4.38Å; Y225-L285 HydrophobicContact CD1-CD1 4.16Å; Y225-L285 HydrophobicContact CE1-CD1 3.49Å; Y225-L285 VanDerWaalsContact CE1-CD1 3.49Å; Y225-L285 HydrophobicContact CE1-CG 4.15Å; E227-L285 HydrophobicContact CB-CD2 4.17Å; E227-L285 HydrophobicContact CG-CD2 4.45Å; Q229-L285 HydrophobicContact CG-CD2 3.94Å; I270-L285 HydrophobicContact CD1-CB 4.31Å; I270-L285 HydrophobicContact CD1-CD1 4.02Å; I270-L285 HydrophobicContact CD1-CG 4.16Å; L285-L287 PolarHBondContact O-N 2.99Å
286	A	98.5	Very high	98	Very high	6 Å²	6	30.1 Å²	30.1	5%	0.05	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	21	-177.5	0	0	0	0	0	115	A232 I234 N284 E288 E289	A232-A286 HydrophobicContact CB-CB 3.66Å; I234-A286 HydrophobicContact CD1-CB 4.47Å; I234-A286 HydrophobicContact CG1-CB 4.04Å; N284-A286 VanDerWaalsContact C-N 3.27Å; N284-A286 PolarHBondContact O-N 3Å; N284-A286 PolarHBondContact OD1-N 3.11Å; A286-E288 PolarHBondContact O-N 2.88Å; A286-E289 HydrophobicContact CB-CB 4.36Å; A286-E289 HydrophobicContact CB-CG 3.78Å; A286-E289 WeakPolarHBondContact O-CB 3.37Å; A286-E289 PolarHBondContact O-N 3.33Å; A286-E289 VanDerWaalsContact O-N 3.07Å
287	L	98.8	Very high	98	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-26.9	-177	-176.3	66.2	0	0	0	113.7	C209 G210 I211 V238 V240 W252 V254 I270 N284 L285	C209-L287 HydrophobicContact CB-CD1 3.81Å; G210-L287 WeakPolarHBondContact O-CA 3.32Å; I211-L287 HydrophobicContact CB-CD1 4.11Å; I211-L287 HydrophobicContact CD1-CD1 4.14Å; I211-L287 HydrophobicContact CG1-CD1 4.43Å; V238-L287 HydrophobicContact CG2-CD1 3.53Å; V240-L287 HydrophobicContact CG2-CD1 3.91Å; V240-L287 HydrophobicContact CG2-CD2 4.2Å; V240-L287 HydrophobicContact CG2-CG 4.19Å; W252-L287 HydrophobicContact CB-CD2 3.94Å; W252-L287 HydrophobicContact CG-CD2 3.93Å; V254-L287 HydrophobicContact CG2-CD2 3.7Å; I270-L287 HydrophobicContact CG2-CD2 3.52Å; N284-L287 VanDerWaalsContact O-CB 3.24Å; N284-L287 WeakPolarHBondContact O-CB 3.3Å; N284-L287 PolarHBondContact O-N 2.81Å; N284-L287 VanDerWaalsContact O-N 3.1Å; L285-L287 PolarHBondContact O-N 2.99Å
288	E	98.8	Very high	98	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.019	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-0.5	-175.4	-60.8	179.9	-162.9	0	0	114	S192 G193 R194 M197 W252 T272 S273 N284 A286	S192-E288 WeakPolarHBondContact CA-O 3.27Å; S192-E288 WeakPolarHBondContact CB-O 3.4Å; G193-E288 PolarHBondContact N-O 3.08Å; R194-E288 WeakPolarHBondContact CB-OE2 3.36Å; R194-E288 PolarHBondContact N-OE2 2.75Å; M197-E288 HydrophobicContact CE-CG 4.12Å; M197-E288 VanDerWaalsContact SD-CA 3.58Å; M197-E288 HydrophobicContact SD-CB 3.8Å; M197-E288 HydrophobicContact SD-CG 3.82Å; W252-E288 HydrophobicContact CZ2-CG 4.32Å; W252-E288 PolarHBondContact NE1-OE1 3.23Å; T272-E288 WeakPolarHBondContact CA-OE1 3.45Å; S273-E288 WeakPolarHBondContact CB-OE2 3.41Å; S273-E288 PolarHBondContact N-OE1 3.34Å; S273-E288 PolarHBondContact OG-OE1 3.4Å; S273-E288 PolarHBondContact OG-OE2 2.88Å; N284-E288 PolarHBondContact ND2-OE1 2.79Å; A286-E288 PolarHBondContact O-N 2.88Å
289	E	98.2	Very high	97.4	Very high	110 Å²	110	26.6 Å²	26.6	51%	0.514	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-36.1	-168.9	-60.6	-57.9	143.9	0	0	113.7	S192 I234 A286	S192-E289 WeakPolarHBondContact CB-O 3.41Å; I234-E289 HydrophobicContact CD1-CB 4.35Å; A286-E289 HydrophobicContact CB-CB 4.36Å; A286-E289 HydrophobicContact CB-CG 3.78Å; A286-E289 WeakPolarHBondContact O-CB 3.37Å; A286-E289 PolarHBondContact O-N 3.33Å; A286-E289 VanDerWaalsContact O-N 3.07Å
290	D	97.9	Very high	96.6	Very high	13 Å²	13	33.1 Å²	33.1	7%	0.07	17%	0.167	C	C	.	.	S	Bend	trans	-140.9	93.2	-175.1	-169.4	35.1	0	0	0	111.7	Y31 R36 H132 C209 G210 I234	Y31-D290 PolarHBondContact OH-OD2 3.05Å; R36-D290 IonicContact CZ-OD1 2.99Å; R36-D290 IonicContact CZ-OD2 3.49Å; R36-D290 IonicContact NH1-OD1 3.32Å; R36-D290 PolarHBondContact NH1-OD1 2.66Å; R36-D290 IonicContact NH2-OD1 3.63Å; R36-D290 PolarHBondContact NH2-OD1 2.73Å; R36-D290 IonicContact NH2-OD2 2.69Å; R36-D290 PolarHBondContact NH2-OD2 3.06Å; H132-D290 PolarHBondContact CE1-O 2.79Å; H132-D290 IonicContact NE2-OD2 3.97Å; C209-D290 CarbonylContact C-O 3.45Å; C209-D290 WeakPolarHBondContact CA-O 3.38Å; G210-D290 PolarHBondContact N-O 3.05Å; I234-D290 HydrophobicContact CD1-CB 3.77Å
291	C	98.8	Very high	95.7	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.007	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	157.8	172.3	-48.9	0	0	0	0	112.6	S190 V191 I207 S208 C209	S190-C291 CarbonylContact C-O 3.26Å; S190-C291 VanDerWaalsContact CA-O 3.22Å; S190-C291 WeakPolarHBondContact CA-O 3.09Å; V191-C291 HydrophobicContact CG1-CB 3.81Å; V191-C291 PolarHBondContact N-O 2.58Å; V191-C291 CarbonylContact O-C 3.38Å; V191-C291 WeakPolarHBondContact O-CA 3.17Å; V191-C291 WeakPolarHBondContact O-CB 3.07Å; V191-C291 PolarHBondContact O-N 2.87Å; V191-C291 VanDerWaalsContact O-N 3.07Å; V191-C291 VanDerWaalsContact O-O 3.11Å; I207-C291 HydrophobicContact CD1-CB 3.85Å; I207-C291 HydrophobicContact CG1-CB 4.43Å; S208-C291 CarbonylContact O-C 3.41Å; S208-C291 WeakPolarHBondContact O-CA 3.48Å; S208-C291 WeakPolarHBondContact O-CB 3.45Å; C209-C291 HydrophobicContact CB-CB 3.99Å; C209-C291 WeakPolarHBondContact CB-SG 3.44Å; C209-C291 WeakPolarHBondContact SG-CB 3.35Å; C209-C291 CovalentContact SG-SG 2.04Å; C209-C291 PolarHBondContact SG-SG 3.14Å
292	M	98.5	Very high	94.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	150.2	178.8	-62.7	-69.1	160.1	0	0	111.2	R36 F40 H132 W136 G189 I207 S208	R36-M292 VanDerWaalsContact NH1-CE 3.25Å; F40-M292 HydrophobicContact CE1-CE 4.05Å; F40-M292 HydrophobicContact CE1-SD 3.61Å; F40-M292 HydrophobicContact CZ-CE 4.4Å; F40-M292 HydrophobicContact CZ-SD 3.78Å; H132-M292 VanDerWaalsContact CD2-CG 3.48Å; H132-M292 WeakPolarHBondContact CD2-CG 3.19Å; H132-M292 VanDerWaalsContact NE2-CG 3.28Å; H132-M292 WeakPolarHBondContact NE2-CG 3.08Å; W136-M292 HydrophobicContact CG-CB 4.46Å; G189-M292 WeakPolarHBondContact O-CA 3.07Å; I207-M292 WeakPolarHBondContact CB-O 3.43Å; S208-M292 PolarHBondContact N-O 3.15Å; S208-M292 PolarHBondContact O-N 2.98Å; S208-M292 PolarHBondContact OG-O 3.19Å
293	Y	98.7	Very high	93.3	Very high	12 Å²	12	44 Å²	44	5%	0.047	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	160.7	172.5	67	-95	0	0	0	110.4	R47 Y188 G189 V191 E200	R47-Y293 VanDerWaalsContact CD-OH 3.31Å; R47-Y293 WeakPolarHBondContact CD-OH 3.38Å; R47-Y293 PolarHBondContact NE-OH 3.3Å; R47-Y293 VanDerWaalsContact NH2-CE2 3.26Å; Y188-Y293 VanDerWaalsContact CA-O 3.24Å; Y188-Y293 WeakPolarHBondContact CA-O 3.26Å; Y188-Y293 VanDerWaalsContact CB-O 3.32Å; Y188-Y293 WeakPolarHBondContact CB-O 3.46Å; G189-Y293 PolarHBondContact N-O 2.9Å; G189-Y293 WeakPolarHBondContact O-CD1 3.25Å; G189-Y293 WeakPolarHBondContact O-CE1 3.31Å; G189-Y293 PolarHBondContact O-N 3.07Å; V191-Y293 HydrophobicContact CB-CD1 4.05Å; V191-Y293 HydrophobicContact CB-CE1 4.32Å; V191-Y293 HydrophobicContact CG1-CD1 4.07Å; E200-Y293 HydrophobicContact CG-CD1 4.34Å; E200-Y293 HydrophobicContact CG-CG 4.34Å
294	G	98.6	Very high	93.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	151.9	162.5	0	0	0	0	0	109.8	R99 D187 P296	R99-G294 WeakPolarHBondContact CD-O 3.33Å; R99-G294 PolarHBondContact NH1-O 2.91Å; D187-G294 CarbonylContact O-C 3.17Å; D187-G294 WeakPolarHBondContact O-CA 3.14Å; G294-P296 WeakPolarHBondContact O-CD 3.16Å
295	D	98.5	Very high	92.8	Very high	20 Å²	20	46.6 Å²	46.6	11%	0.107	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	103	178	-68.7	-13.8	0	0	0	108.7	R47 R99 V185 G186 D187 R204	R47-D295 IonicContact CZ-OD1 2.97Å; R47-D295 IonicContact CZ-OD2 2.7Å; R47-D295 IonicContact NH1-OD1 2.68Å; R47-D295 PolarHBondContact NH1-OD1 3Å; R47-D295 IonicContact NH1-OD2 3.84Å; R47-D295 PolarHBondContact NH1-OD2 3.04Å; R47-D295 IonicContact NH2-OD1 3.15Å; R47-D295 PolarHBondContact NH2-OD1 2.05Å; R47-D295 IonicContact NH2-OD2 2.77Å; R99-D295 IonicContact NH1-OD1 3.31Å; R99-D295 PolarHBondContact NH1-OD1 3.04Å; V185-D295 CarbonylContact C-O 3.59Å; V185-D295 VanDerWaalsContact CA-O 3.25Å; V185-D295 WeakPolarHBondContact CA-O 3.49Å; V185-D295 WeakPolarHBondContact CB-O 3.22Å; G186-D295 PolarHBondContact N-O 2.94Å; D187-D295 HydrophobicContact CB-CB 4.48Å; D187-D295 PolarHBondContact O-N 2.92Å; R204-D295 IonicContact CZ-OD2 3.68Å; R204-D295 VanDerWaalsContact NH1-CG 3.29Å; R204-D295 IonicContact NH1-OD1 3.99Å; R204-D295 PolarHBondContact NH1-OD1 3.35Å; R204-D295 IonicContact NH1-OD2 2.66Å; R204-D295 PolarHBondContact NH1-OD2 3.04Å
296	P	98.2	Very high	92.4	Very high	9 Å²	9	49.2 Å²	49.2	6%	0.058	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	143.7	-179.1	-24	34.4	0	0	0	112.4	M96 R99 I100 Q103 K184 G294 V298	M96-P296 HydrophobicContact CG-CG 4.5Å; R99-P296 HydrophobicContact CB-CG 3.53Å; I100-P296 HydrophobicContact CG1-CB 3.62Å; I100-P296 HydrophobicContact CG1-CG 3.88Å; Q103-P296 PolarHBondContact NE2-O 3.13Å; Q103-P296 PolarHBondContact OE1-O 3.34Å; Q103-P296 VanDerWaalsContact OE1-O 3.07Å; K184-P296 WeakPolarHBondContact O-CA 3.38Å; G294-P296 WeakPolarHBondContact O-CD 3.16Å; P296-V298 HydrophobicContact CB-CG2 4.42Å
297	I	97.5	Very high	92.1	Very high	95 Å²	95	51.7 Å²	51.7	49%	0.487	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	100.8	170.6	-58	171.3	0	0	0	106.8	K184	K184-I297 HydrophobicContact CB-CD1 4.22Å; K184-I297 PolarHBondContact O-N 3.03Å
298	V	92.8	Very high	91.7	Very high	19 Å²	19	54.9 Å²	54.9	12%	0.115	27%	0.274	C	S	.	.			trans	-95.5	118	176.6	177.3	0	0	0	0	109.3	I100 Q103 R104 W183 P296 L303	I100-V298 HydrophobicContact CG2-CG2 4.25Å; Q103-V298 HydrophobicContact CB-CG2 3.96Å; R104-V298 HydrophobicContact CG-CG1 3.56Å; R104-V298 HydrophobicContact CG-CG2 4.28Å; W183-V298 HydrophobicContact CZ3-CG2 4.25Å; P296-V298 HydrophobicContact CB-CG2 4.42Å; V298-L303 HydrophobicContact CB-CD2 4.29Å; V298-L303 HydrophobicContact CG1-CD2 3.73Å; V298-L303 HydrophobicContact CG1-CG 4.08Å
299	P	83.7	Confident	91.2	Very high	61 Å²	61	58.3 Å²	58.3	40%	0.396	29%	0.291	S	S	.	.			trans	-61.8	150.7	176	-17.9	29.6	0	0	0	111.2	D301 Y302	P299-D301 PolarHBondContact O-N 3.35Å; P299-D301 VanDerWaalsContact O-N 3.11Å; P299-Y302 HydrophobicContact CB-CD2 4.03Å; P299-Y302 HydrophobicContact CG-CD2 3.96Å; P299-Y302 HydrophobicContact CG-CE2 4.32Å; P299-Y302 WeakPolarHBondContact O-CB 3.31Å; P299-Y302 PolarHBondContact O-N 3.33Å
300	K	81.7	Confident	90.7	Very high	178 Å²	178	54.6 Å²	54.6	77%	0.774	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-56.6	-31.4	-178	-69.8	-174.9	179.7	179.7	0	113.5	Y302 L303	K300-Y302 PolarHBondContact O-N 3.12Å; K300-Y302 VanDerWaalsContact O-N 3.13Å; K300-L303 PolarHBondContact O-N 3.25Å
301	D	79.6	Confident	90.1	Very high	156 Å²	156	57.8 Å²	57.8	83%	0.834	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-66.9	-10.8	179.2	-55.7	-26	0	0	0	113.2	P299	P299-D301 PolarHBondContact O-N 3.35Å; P299-D301 VanDerWaalsContact O-N 3.11Å
302	Y	72.4	Confident	89.4	Confident	75 Å²	75	62.6 Å²	62.6	29%	0.294	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-106	-3.7	179	-75.1	-90.4	0	0	0	114	R104 T181 W183 P299 K300	R104-Y302 WeakPolarHBondContact CG-O 3.12Å; R104-Y302 PolarHBondContact NE-O 3.48Å; T181-Y302 PolarHBondContact OG1-OH 3.48Å; W183-Y302 AromaticContact CH2-CD1 3.75Å; W183-Y302 HydrophobicContact CH2-CD1 3.75Å; W183-Y302 AromaticContact CH2-CE1 3.98Å; W183-Y302 HydrophobicContact CH2-CE1 3.98Å; W183-Y302 HydrophobicContact CH2-CG 4.1Å; W183-Y302 HydrophobicContact CZ2-CD1 4.35Å; W183-Y302 HydrophobicContact CZ2-CE1 4.16Å; P299-Y302 HydrophobicContact CB-CD2 4.03Å; P299-Y302 HydrophobicContact CG-CD2 3.96Å; P299-Y302 HydrophobicContact CG-CE2 4.32Å; P299-Y302 WeakPolarHBondContact O-CB 3.31Å; P299-Y302 PolarHBondContact O-N 3.33Å; K300-Y302 PolarHBondContact O-N 3.12Å; K300-Y302 VanDerWaalsContact O-N 3.13Å
303	L	72.9	Confident	88.6	Confident	126 Å²	126	68.3 Å²	68.3	66%	0.66	34%	0.343	S	S	*	.			trans	-93.2	0	-179.6	-66	177.2	0	0	0	112.7	Q103 V298 K300	Q103-L303 VanDerWaalsContact O-CD2 3.25Å; Q103-L303 WeakPolarHBondContact O-CD2 3.11Å; V298-L303 HydrophobicContact CB-CD2 4.29Å; V298-L303 HydrophobicContact CG1-CD2 3.73Å; V298-L303 HydrophobicContact CG1-CG 4.08Å; K300-L303 PolarHBondContact O-N 3.25Å

Retrieved 303 of 303 residues in 64.6 ms (Link to these results)

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