A0A087YET1_POEFO Loading...

pancreatic elastase

AlphaFold DB , UniProt , Accession A0A087YET1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 270 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	A	42.7	Very low	44.7	Very low	146 Å²	146	159.8 Å²	159.8	100%	1.207	84%	0.843	S	S	*	*				0	114.9	0	0	0	0	0	0	106.2
2	D	44.9	Very low	44.9	Very low	161 Å²	161	160.3 Å²	160.3	86%	0.861	85%	0.845	S	S	*	*			cis	-144.9	138.5	11.6	-99.3	-47.9	0	0	0	109.2
3	M	39.7	Very low	45.5	Very low	170 Å²	170	154.4 Å²	154.4	84%	0.837	83%	0.833	S	S	*	*			trans	-112.1	104.1	174	177.4	-172.8	78.8	0	0	104.7
4	L	42.5	Very low	45.8	Very low	142 Å²	142	149.3 Å²	149.3	74%	0.743	82%	0.823	S	S	*	*			trans	-158.7	101.2	167.7	-137.4	68.7	0	0	0	115.7
5	R	43.6	Very low	45.9	Very low	211 Å²	211	149.6 Å²	149.6	80%	0.796	82%	0.822	S	S	*	*				61.6	98.4	129.7	-61.9	179	-178.4	-139.1	-3.1	119.3
6	F	44.4	Very low	46.2	Very low	209 Å²	209	148.4 Å²	148.4	92%	0.917	82%	0.82	S	S	*	*			trans	-81.5	121.5	140.3	-92.8	-90.1	0	0	0	109.2	L8	F6-L8 PolarHBondContact O-N 3.35Å
7	L	48.9	Very low	46.4	Very low	141 Å²	141	148.7 Å²	148.7	74%	0.738	82%	0.819	S	S	*	*			trans	-78	104.7	168.8	-85.4	152.6	0	0	0	108.6	F9	L7-F9 HydrophobicContact CD2-CE2 4.4Å
8	L	44.7	Very low	46.5	Very low	153 Å²	153	145.6 Å²	145.6	80%	0.801	82%	0.816	S	S	*	*			trans	-95.7	104	161.7	-85.1	160.5	0	0	0	107.8	F6 T10	F6-L8 PolarHBondContact O-N 3.35Å; L8-T10 PolarHBondContact O-N 2.75Å
9	F	45.3	Very low	46.6	Very low	188 Å²	188	146.7 Å²	146.7	83%	0.825	81%	0.814	S	S	*	*			trans	-72.5	98.3	165.7	-91.9	-90	0	0	0	108.5	L7 S11	L7-F9 HydrophobicContact CD2-CE2 4.4Å; F9-S11 PolarHBondContact O-N 2.97Å
10	T	46.8	Very low	46.4	Very low	123 Å²	123	145.8 Å²	145.8	76%	0.755	82%	0.815	S	S	*	*			trans	-83.9	100.3	163.3	51.7	0	0	0	0	108.2	L8 L12	L8-T10 PolarHBondContact O-N 2.75Å; T10-L12 PolarHBondContact O-N 3.16Å; T10-L12 VanDerWaalsContact O-N 3.16Å
11	S	47.7	Very low	46.2	Very low	114 Å²	114	146.6 Å²	146.6	80%	0.797	81%	0.812	S	S	*	*			trans	-67.7	104.5	167.3	52.9	0	0	0	0	109.1	F9 A13	F9-S11 PolarHBondContact O-N 2.97Å; S11-A13 PolarHBondContact O-N 2.98Å; S11-A13 VanDerWaalsContact O-N 3.15Å
12	L	47.2	Very low	46	Very low	165 Å²	165	144.8 Å²	144.8	86%	0.864	79%	0.788	S	S	*	*			trans	-76.4	95.5	170.1	-146.7	85	0	0	0	107.8	T10 A14	T10-L12 PolarHBondContact O-N 3.16Å; T10-L12 VanDerWaalsContact O-N 3.16Å; L12-A14 PolarHBondContact O-N 3.12Å
13	A	52.5	Low	45.8	Very low	84 Å²	84	148.1 Å²	148.1	69%	0.694	79%	0.789	S	S	*	*			trans	-75.3	101.4	168.8	0	0	0	0	0	108.3	S11 L15	S11-A13 PolarHBondContact O-N 2.98Å; S11-A13 VanDerWaalsContact O-N 3.15Å; A13-L15 PolarHBondContact O-N 3.21Å
14	A	50.5	Low	46	Very low	83 Å²	83	150.7 Å²	150.7	69%	0.686	79%	0.791	S	S	*	*			trans	-71.6	104.5	167.9	0	0	0	0	0	108.4	L12 V16	L12-A14 PolarHBondContact O-N 3.12Å; A14-V16 PolarHBondContact O-N 3.22Å; A14-V16 VanDerWaalsContact O-N 3.07Å
15	L	47.6	Very low	46	Very low	154 Å²	154	151.6 Å²	151.6	81%	0.806	80%	0.795	S	S	*	*			trans	-68.1	100.7	161.4	-95.6	99.3	0	0	0	107.7	A13 L17	A13-L15 PolarHBondContact O-N 3.21Å; L15-L17 PolarHBondContact O-N 2.77Å
16	V	50.5	Low	45.8	Very low	130 Å²	130	150.9 Å²	150.9	79%	0.788	80%	0.798	S	S	*	*			trans	-72.5	104.2	164	-179.7	0	0	0	0	106.5	A14 A18	A14-V16 PolarHBondContact O-N 3.22Å; A14-V16 VanDerWaalsContact O-N 3.07Å; V16-A18 PolarHBondContact O-N 2.87Å; V16-A18 VanDerWaalsContact O-N 3.1Å
17	L	48.6	Very low	46.4	Very low	154 Å²	154	149.4 Å²	149.4	81%	0.806	80%	0.8	S	S	*	*			trans	-66.1	106.1	163.9	-73.1	168.7	0	0	0	106.9	L15 E19	L15-L17 PolarHBondContact O-N 2.77Å; L17-E19 PolarHBondContact O-N 3.07Å; L17-E19 VanDerWaalsContact O-N 3.09Å
18	A	48.1	Very low	45.7	Very low	92 Å²	92	145.6 Å²	145.6	76%	0.76	80%	0.795	S	S	*	*			trans	-66.3	105.9	170.2	0	0	0	0	0	108.2	V16	V16-A18 PolarHBondContact O-N 2.87Å; V16-A18 VanDerWaalsContact O-N 3.1Å
19	E	49.8	Very low	45.5	Very low	167 Å²	167	146.9 Å²	146.9	78%	0.78	80%	0.8	S	S	*	*			trans	-61.9	136.9	165.3	-69.7	177.6	167.2	0	0	109	L17 Q21	L17-E19 PolarHBondContact O-N 3.07Å; L17-E19 VanDerWaalsContact O-N 3.09Å; E19-Q21 PolarHBondContact O-N 3.22Å
20	P	42.4	Very low	45.4	Very low	128 Å²	128	141.3 Å²	141.3	83%	0.831	80%	0.796	S	S	*	*			trans	-70	104.6	176	27.7	-29.3	0	0	0	108.7
21	Q	41.1	Very low	45	Very low	164 Å²	164	141.6 Å²	141.6	77%	0.766	79%	0.789	S	S	*	*			trans	-59.9	135.4	169.2	-70.9	-97.5	-45.2	0	0	109.3	E19 R23	E19-Q21 PolarHBondContact O-N 3.22Å; Q21-R23 PolarHBondContact O-N 2.79Å
22	P	39.9	Very low	44.3	Very low	108 Å²	108	142.5 Å²	142.5	70%	0.701	78%	0.78	S	S	*	*			trans	-63.3	115.1	174.8	24.4	-30.1	0	0	0	108.8	Y24	P22-Y24 PolarHBondContact O-N 3.06Å
23	R	40.7	Very low	44.1	Very low	230 Å²	230	139.6 Å²	139.6	87%	0.868	76%	0.758	S	S	*	*			trans	-64.6	102	170.9	-81.8	-178.5	175.8	166.8	-0.8	108.1	Q21 L25	Q21-R23 PolarHBondContact O-N 2.79Å; R23-L25 PolarHBondContact O-N 2.92Å
24	Y	42.4	Very low	44.2	Very low	225 Å²	225	135.7 Å²	135.7	88%	0.882	73%	0.725	S	S	*	*			trans	-60.2	101.8	155.8	-105	-92.6	0	0	0	107.5	P22 K26	P22-Y24 PolarHBondContact O-N 3.06Å; Y24-K26 PolarHBondContact O-N 3.27Å
25	L	43.9	Very low	44.8	Very low	160 Å²	160	132.3 Å²	132.3	84%	0.838	70%	0.696	S	S	*	*			trans	-69.6	122.4	171.1	-85.8	160.1	0	0	0	108.3	R23	R23-L25 PolarHBondContact O-N 2.92Å
26	K	39.1	Very low	45.5	Very low	197 Å²	197	126.4 Å²	126.4	86%	0.857	67%	0.672	S	S	*	*			trans	-56.8	139	171.9	-79.5	179.8	169	178.9	0	110.2	Y24 G28	Y24-K26 PolarHBondContact O-N 3.27Å; K26-G28 PolarHBondContact O-N 3.45Å; K26-G28 VanDerWaalsContact O-N 3.1Å
27	D	56.4	Low	46.9	Very low	177 Å²	177	120.6 Å²	120.6	95%	0.947	64%	0.639	S	S	*	*			trans	-46.4	112.7	167.3	-80.7	-40.2	0	0	0	111.2
28	G	35.4	Very low	48.9	Very low	62 Å²	62	118.2 Å²	118.2	64%	0.639	62%	0.624	S	S	*	*			trans	-110	133.9	168.6	0	0	0	0	0	109	K26 G30	K26-G28 PolarHBondContact O-N 3.45Å; K26-G28 VanDerWaalsContact O-N 3.1Å; G28-G30 PolarHBondContact O-N 3.36Å
29	I	39.5	Very low	51.2	Low	179 Å²	179	116.9 Å²	116.9	92%	0.918	61%	0.606	S	S	*	*	S	Bend	trans	-52.9	121.1	-173.9	-65.5	157.5	0	0	0	112
30	G	42.5	Very low	53.4	Low	71 Å²	71	109 Å²	109	73%	0.732	57%	0.569	S	S	*	*			trans	62	58.4	148.2	0	0	0	0	0	118.1	G28	G28-G30 PolarHBondContact O-N 3.36Å
31	E	38.3	Very low	55.9	Low	129 Å²	129	108.7 Å²	108.7	60%	0.603	56%	0.561	S	S	*	*			trans	-88.1	110	157.7	-70.9	-176.3	165.4	0	0	108.6	R33	E31-R33 VanDerWaalsContact O-CG 3.23Å; E31-R33 WeakPolarHBondContact O-CG 3.47Å; E31-R33 PolarHBondContact O-N 2.95Å; E31-R33 IonicContact OE2-CZ 3.9Å; E31-R33 IonicContact OE2-NH2 3Å; E31-R33 PolarHBondContact OE2-NH2 2.92Å
32	E	35	Very low	58.5	Low	133 Å²	133	104 Å²	104	62%	0.621	54%	0.544	S	S	*	.			trans	-66.6	129.5	168	-63.7	-177.7	157.8	0	0	107.5	K179	E32-K179 VanDerWaalsContact C-CE 3.48Å; E32-K179 VanDerWaalsContact CB-NZ 3.27Å; E32-K179 WeakPolarHBondContact O-CE 3.49Å; E32-K179 PolarHBondContact O-NZ 2.99Å
33	R	41.8	Very low	60.9	Low	105 Å²	105	101.8 Å²	101.8	40%	0.396	53%	0.527	S	S	.	.			trans	-112.8	165	-169.2	-56.2	-166.7	153.3	110.4	3.8	113	E31 G37 T168 K179	E31-R33 VanDerWaalsContact O-CG 3.23Å; E31-R33 WeakPolarHBondContact O-CG 3.47Å; E31-R33 PolarHBondContact O-N 2.95Å; E31-R33 IonicContact OE2-CZ 3.9Å; E31-R33 IonicContact OE2-NH2 3Å; E31-R33 PolarHBondContact OE2-NH2 2.92Å; R33-G37 WeakPolarHBondContact CA-O 3.34Å; R33-G37 WeakPolarHBondContact CB-O 3.39Å; R33-G37 WeakPolarHBondContact CG-O 3.34Å; R33-T168 WeakPolarHBondContact O-CA 3.3Å; R33-T168 WeakPolarHBondContact O-CB 3.49Å; R33-T168 WeakPolarHBondContact O-CG2 3.25Å; R33-K179 WeakPolarHBondContact O-CD 3.28Å; R33-K179 PolarHBondContact O-NZ 3.39Å; R33-K179 VanDerWaalsContact O-NZ 3.07Å
34	V	54.1	Low	63.6	Low	1 Å²	1	92.9 Å²	92.9	1%	0.006	50%	0.5	C	S	.	.	S	Bend	trans	-88.1	118.1	142.6	148.1	0	0	0	0	101.4	G36 G37 I162 K179 A181 S214	V34-G36 CarbonylContact O-C 3.59Å; V34-G36 PolarHBondContact O-N 3.26Å; V34-G37 WeakPolarHBondContact O-CA 3.33Å; V34-G37 PolarHBondContact O-N 2.73Å; V34-I162 HydrophobicContact CG1-CG2 4.33Å; V34-K179 HydrophobicContact CB-CB 3.96Å; V34-K179 HydrophobicContact CB-CD 4.44Å; V34-K179 HydrophobicContact CG2-CB 3.37Å; V34-K179 HydrophobicContact CG2-CD 4.14Å; V34-K179 HydrophobicContact CG2-CG 4.34Å; V34-A181 HydrophobicContact CG1-CB 4.08Å; V34-S214 VanDerWaalsContact CG1-O 3.28Å; V34-S214 WeakPolarHBondContact CG1-O 3.27Å
35	V	63.3	Low	66.3	Low	12 Å²	12	82.8 Å²	82.8	7%	0.073	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-23.3	99	-156	-163.6	0	0	0	0	113.6	T168 E213 S214 C216 C246 N247	V35-T168 WeakPolarHBondContact CA-O 3.36Å; V35-T168 PolarHBondContact N-O 3.19Å; V35-E213 WeakPolarHBondContact O-CA 3.08Å; V35-S214 PolarHBondContact O-N 3.04Å; V35-S214 VanDerWaalsContact O-N 3.12Å; V35-C216 HydrophobicContact CG2-CB 4.06Å; V35-C246 HydrophobicContact CG2-CB 3.87Å; V35-N247 HydrophobicContact CB-CB 4.36Å; V35-N247 HydrophobicContact CG1-CB 3.62Å; V35-N247 VanDerWaalsContact CG1-CG 3.41Å; V35-N247 WeakPolarHBondContact CG1-ND2 3.12Å
36	G	63.7	Low	68.9	Low	30 Å²	30	76 Å²	76	31%	0.309	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.4	-7.1	-174.6	0	0	0	0	0	119.2	V34	V34-G36 CarbonylContact O-C 3.59Å; V34-G36 PolarHBondContact O-N 3.26Å
37	G	78.9	Confident	71.7	Confident	9 Å²	9	67.9 Å²	67.9	9%	0.093	39%	0.39	C	S	.	.			trans	-103	-179.3	-172.2	0	0	0	0	0	115.4	R33 V34 Q180	R33-G37 WeakPolarHBondContact CA-O 3.34Å; R33-G37 WeakPolarHBondContact CB-O 3.39Å; R33-G37 WeakPolarHBondContact CG-O 3.34Å; V34-G37 WeakPolarHBondContact O-CA 3.33Å; V34-G37 PolarHBondContact O-N 2.73Å; G37-Q180 WeakPolarHBondContact CA-O 3.45Å
38	E	91.3	Very high	73.7	Confident	104 Å²	104	59.8 Å²	59.8	49%	0.486	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	162.7	-172	66.6	-172.6	172.6	0	0	112.1	A40 K179 Q180	E38-A40 PolarHBondContact O-N 2.96Å; E38-K179 CarbonylContact O-C 3.55Å; E38-K179 VanDerWaalsContact O-CA 3.26Å; E38-K179 WeakPolarHBondContact O-CA 3.35Å; E38-K179 WeakPolarHBondContact O-CB 3.44Å; E38-Q180 HydrophobicContact CG-CG 3.73Å; E38-Q180 PolarHBondContact N-O 2.9Å; E38-Q180 PolarHBondContact O-N 2.86Å; E38-Q180 PolarHBondContact OE1-NE2 2.83Å
39	V	95	Very high	76.8	Confident	63 Å²	63	56.9 Å²	56.9	38%	0.382	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	125.7	171.5	177.9	0	0	0	0	108.9	Q177	V39-Q177 HydrophobicContact CG1-CB 4.1Å
40	A	96.5	Very high	79.6	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.008	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-70.7	141.5	177.7	0	0	0	0	0	109.7	E38 H93 L178 Q180	E38-A40 PolarHBondContact O-N 2.96Å; A40-H93 PolarHBondContact O-CE1 2.88Å; A40-L178 HydrophobicContact CB-CD2 4.39Å; A40-L178 HydrophobicContact CB-CG 4.19Å; A40-L178 PolarHBondContact N-O 2.92Å; A40-Q180 HydrophobicContact CB-CB 4.21Å; A40-Q180 HydrophobicContact CB-CG 4.19Å
41	N	96.1	Very high	82.3	Confident	123 Å²	123	45 Å²	45	66%	0.658	24%	0.238	S	C	*	.	P	Polyproline II helix	trans	-59.2	134.2	170.6	-72.2	-43.9	0	0	0	109.4	N43 S44	N41-N43 PolarHBondContact O-N 3.13Å; N41-S44 VanDerWaalsContact O-CB 3.22Å; N41-S44 WeakPolarHBondContact O-CB 3.19Å; N41-S44 PolarHBondContact O-N 3.2Å; N41-S44 PolarHBondContact O-OG 2.89Å
42	P	94.5	Very high	85.1	Confident	64 Å²	64	39.1 Å²	39.1	42%	0.416	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	137	179.8	-28.3	33.8	0	0	0	111.9	S44	P42-S44 PolarHBondContact O-N 3.33Å
43	N	91.7	Very high	88.1	Confident	62 Å²	62	36.4 Å²	36.4	33%	0.332	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	9	-179.2	-27.2	-72.2	0	0	0	115.9	N41 W45 P46 S141	N41-N43 PolarHBondContact O-N 3.13Å; N43-W45 VanDerWaalsContact C-N 3.27Å; N43-W45 PolarHBondContact O-N 2.81Å; N43-P46 WeakPolarHBondContact O-CD 3.36Å; N43-S141 WeakPolarHBondContact OD1-CB 3.16Å
44	S	96.7	Very high	90.8	Very high	44 Å²	44	35.2 Å²	35.2	31%	0.308	19%	0.194	S	C	.	.	S	Bend	trans	-67.4	-26.8	174.8	53.1	0	0	0	0	113.4	N41 P42 P46	N41-S44 VanDerWaalsContact O-CB 3.22Å; N41-S44 WeakPolarHBondContact O-CB 3.19Å; N41-S44 PolarHBondContact O-N 3.2Å; N41-S44 PolarHBondContact O-OG 2.89Å; P42-S44 PolarHBondContact O-N 3.33Å; S44-P46 WeakPolarHBondContact O-CD 3.39Å
45	W	98.4	Very high	92.8	Very high	13 Å²	13	38.1 Å²	38.1	5%	0.049	21%	0.214	C	C	.	.	S	Bend	trans	-123	63.5	179	-52.6	107.8	0	0	0	111.1	N43 W47 Q48 Y161 T163 L178 N225 W232	N43-W45 VanDerWaalsContact C-N 3.27Å; N43-W45 PolarHBondContact O-N 2.81Å; W45-W47 HydrophobicContact CE3-CH2 4.05Å; W45-W47 AromaticContact CE3-CZ2 3.49Å; W45-W47 HydrophobicContact CE3-CZ2 3.49Å; W45-W47 VanDerWaalsContact CE3-CZ2 3.49Å; W45-W47 HydrophobicContact CZ3-CH2 4.36Å; W45-W47 AromaticContact CZ3-CZ2 3.91Å; W45-W47 HydrophobicContact CZ3-CZ2 3.91Å; W45-W47 PolarHBondContact O-N 2.85Å; W45-Q48 HydrophobicContact CB-CB 4.3Å; W45-Q48 WeakPolarHBondContact O-CB 3.24Å; W45-Q48 PolarHBondContact O-N 2.9Å; W45-Y161 HydrophobicContact CH2-CD2 4.44Å; W45-Y161 HydrophobicContact CH2-CG 4.37Å; W45-Y161 HydrophobicContact CZ2-CD2 4.46Å; W45-Y161 HydrophobicContact CZ2-CG 4.07Å; W45-T163 HydrophobicContact CB-CG2 4.35Å; W45-T163 HydrophobicContact CD2-CG2 3.7Å; W45-T163 HydrophobicContact CG-CG2 3.55Å; W45-T163 HydrophobicContact CZ2-CG2 4.34Å; W45-L178 HydrophobicContact CB-CD2 4.45Å; W45-N225 HydrophobicContact CE3-CB 3.97Å; W45-N225 HydrophobicContact CH2-CB 3.93Å; W45-N225 HydrophobicContact CZ3-CB 3.39Å; W45-W232 AromaticContact CH2-CD2 3.82Å; W45-W232 HydrophobicContact CH2-CD2 3.82Å; W45-W232 AromaticContact CH2-CE2 3.82Å; W45-W232 HydrophobicContact CH2-CE3 4.2Å; W45-W232 HydrophobicContact CH2-CG 4.14Å; W45-W232 HydrophobicContact CH2-CZ2 4.23Å; W45-W232 HydrophobicContact CZ3-CB 4.15Å; W45-W232 AromaticContact CZ3-CD1 3.98Å; W45-W232 AromaticContact CZ3-CD2 3.88Å; W45-W232 HydrophobicContact CZ3-CD2 3.88Å; W45-W232 HydrophobicContact CZ3-CE3 4.37Å; W45-W232 AromaticContact CZ3-CG 3.74Å; W45-W232 HydrophobicContact CZ3-CG 3.74Å
46	P	98.5	Very high	94.3	Very high	18 Å²	18	41.5 Å²	41.5	12%	0.117	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-4.4	-165.4	28.5	-35.8	0	0	0	114.9	N43 S44 V142 Q143	N43-P46 WeakPolarHBondContact O-CD 3.36Å; S44-P46 WeakPolarHBondContact O-CD 3.39Å; P46-V142 WeakPolarHBondContact O-CA 3.19Å; P46-Q143 HydrophobicContact CB-CB 3.88Å; P46-Q143 HydrophobicContact CB-CG 3.93Å; P46-Q143 HydrophobicContact CG-CB 3.73Å; P46-Q143 HydrophobicContact CG-CG 3.85Å; P46-Q143 PolarHBondContact O-N 3.49Å
47	W	98.9	Very high	95.8	Very high	25 Å²	25	43.1 Å²	43.1	10%	0.095	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-10.9	172.7	52.7	79.3	0	0	0	113.5	W45 T66 L67 Q143 G145 N225 W232	W45-W47 HydrophobicContact CE3-CH2 4.05Å; W45-W47 AromaticContact CE3-CZ2 3.49Å; W45-W47 HydrophobicContact CE3-CZ2 3.49Å; W45-W47 VanDerWaalsContact CE3-CZ2 3.49Å; W45-W47 HydrophobicContact CZ3-CH2 4.36Å; W45-W47 AromaticContact CZ3-CZ2 3.91Å; W45-W47 HydrophobicContact CZ3-CZ2 3.91Å; W45-W47 PolarHBondContact O-N 2.85Å; W47-T66 HydrophobicContact CB-CG2 4.17Å; W47-T66 HydrophobicContact CG-CG2 4.26Å; W47-T66 CarbonylContact O-C 3.6Å; W47-T66 WeakPolarHBondContact O-CA 3.41Å; W47-L67 PolarHBondContact O-N 2.99Å; W47-Q143 VanDerWaalsContact CA-O 3.27Å; W47-Q143 WeakPolarHBondContact CA-O 3.39Å; W47-Q143 WeakPolarHBondContact CB-O 2.99Å; W47-G145 VanDerWaalsContact CB-N 3.31Å; W47-N225 WeakPolarHBondContact CZ2-OD1 3.35Å; W47-N225 PolarHBondContact NE1-OD1 3.4Å; W47-W232 HydrophobicContact CH2-CB 3.88Å; W47-W232 HydrophobicContact CZ2-CB 4.11Å
48	Q	98.8	Very high	96.6	Very high	8 Å²	8	45.5 Å²	45.5	4%	0.037	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	136.2	174.5	176.6	71.3	58	0	0	109.6	W45 T163 W165 L178	W45-Q48 HydrophobicContact CB-CB 4.3Å; W45-Q48 WeakPolarHBondContact O-CB 3.24Å; W45-Q48 PolarHBondContact O-N 2.9Å; Q48-T163 PolarHBondContact OE1-O 2.84Å; Q48-T163 PolarHBondContact OE1-OG1 3.19Å; Q48-W165 HydrophobicContact CG-CH2 3.59Å; Q48-W165 HydrophobicContact CG-CZ3 3.52Å; Q48-L178 HydrophobicContact CB-CD2 4.5Å; Q48-L178 HydrophobicContact CG-CD1 3.9Å; Q48-L178 HydrophobicContact CG-CD2 4.24Å
49	I	98.8	Very high	96.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	157.5	170.2	68.2	77.9	0	0	0	112.2	L51 G64 G65 L67 V73 V88 V89 L90 W165	I49-L51 HydrophobicContact CD1-CB 3.86Å; I49-G64 WeakPolarHBondContact O-CA 3.39Å; I49-G65 PolarHBondContact N-O 3.04Å; I49-G65 VanDerWaalsContact N-O 3.1Å; I49-G65 PolarHBondContact O-N 3.01Å; I49-L67 HydrophobicContact CG2-CB 4.41Å; I49-V73 HydrophobicContact CD1-CG1 4.05Å; I49-V73 HydrophobicContact CG1-CG1 3.74Å; I49-V73 HydrophobicContact CG1-CG2 4.39Å; I49-V73 HydrophobicContact CG2-CG2 4.48Å; I49-V88 HydrophobicContact CB-CG1 3.73Å; I49-V88 HydrophobicContact CD1-CG1 4.22Å; I49-V88 HydrophobicContact CD1-CG2 4.37Å; I49-V88 HydrophobicContact CG1-CG1 3.98Å; I49-V88 HydrophobicContact CG2-CG1 3.84Å; I49-V89 WeakPolarHBondContact CA-O 3.35Å; I49-V89 WeakPolarHBondContact CB-O 3.42Å; I49-L90 HydrophobicContact CG2-CD2 3.26Å; I49-L90 HydrophobicContact CG2-CG 3.73Å; I49-W165 WeakPolarHBondContact O-CZ3 3.5Å
50	S	98.7	Very high	97	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	112.5	166.1	-177.8	0	0	0	0	108.4	Q52 H61 V89	S50-Q52 PolarHBondContact OG-NE2 2.91Å; S50-H61 PolarHBondContact OG-ND1 2.77Å; S50-V89 PolarHBondContact N-O 2.96Å; S50-V89 PolarHBondContact O-N 2.88Å
51	L	98.8	Very high	97	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	127.2	172.2	178	63.8	0	0	0	108.6	I49 T62 C63 T75 C79 V80 W86 V88 L130	I49-L51 HydrophobicContact CD1-CB 3.86Å; L51-T62 HydrophobicContact CG-CG2 4.4Å; L51-T62 PolarHBondContact O-N 3.26Å; L51-C63 HydrophobicContact CB-CB 4.19Å; L51-C63 WeakPolarHBondContact CB-O 3.22Å; L51-C63 HydrophobicContact CD2-CB 4.13Å; L51-C63 PolarHBondContact N-O 2.88Å; L51-C63 PolarHBondContact O-N 2.78Å; L51-T75 HydrophobicContact CD2-CG2 4.41Å; L51-C79 HydrophobicContact CD2-CB 4.04Å; L51-V80 HydrophobicContact CD2-CG1 3.64Å; L51-W86 HydrophobicContact CD1-CB 4.29Å; L51-W86 HydrophobicContact CD1-CE3 4.19Å; L51-W86 HydrophobicContact CG-CE3 4.27Å; L51-V88 HydrophobicContact CD1-CG2 4.24Å; L51-L130 HydrophobicContact CD1-CD1 3.76Å; L51-L130 HydrophobicContact CD2-CD1 4.37Å
52	Q	98.6	Very high	97.1	Very high	7 Å²	7	42.9 Å²	42.9	3%	0.033	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	142.9	-174.1	-49.5	-171.3	-13.6	0	0	111.6	S50 F59 Y60 W86 R87 V89	S50-Q52 PolarHBondContact OG-NE2 2.91Å; Q52-F59 HydrophobicContact CB-CB 4.19Å; Q52-F59 HydrophobicContact CB-CD1 4.37Å; Q52-Y60 CarbonylContact C-O 3.59Å; Q52-Y60 WeakPolarHBondContact CA-O 3.12Å; Q52-Y60 WeakPolarHBondContact CB-O 3.48Å; Q52-W86 WeakPolarHBondContact O-CA 3.43Å; Q52-R87 HydrophobicContact CB-CG 3.93Å; Q52-R87 PolarHBondContact N-O 2.82Å; Q52-R87 PolarHBondContact O-N 3.07Å; Q52-V89 HydrophobicContact CG-CG2 4.18Å
53	Y	98	Very high	97.3	Very high	75 Å²	75	40 Å²	40	29%	0.294	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	149.3	172.7	68.5	-82.1	0	0	0	111	F59 Y60 T62 T85	Y53-F59 CarbonylContact O-C 3.59Å; Y53-F59 VanDerWaalsContact O-CA 3.3Å; Y53-F59 WeakPolarHBondContact O-CA 3.19Å; Y53-Y60 WeakPolarHBondContact CD1-O 3.38Å; Y53-Y60 HydrophobicContact CE2-CD2 4.28Å; Y53-Y60 PolarHBondContact N-O 2.99Å; Y53-Y60 PolarHBondContact O-N 2.86Å; Y53-T62 HydrophobicContact CD1-CG2 4.06Å; Y53-T85 WeakPolarHBondContact CA-O 3Å
54	Q	97.8	Very high	97.6	Very high	80 Å²	80	37.1 Å²	37.1	37%	0.374	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	132.1	173.5	-164.6	-179.9	-3	0	0	111.1	S58 F59 T85	Q54-S58 CarbonylContact C-O 3.48Å; Q54-S58 WeakPolarHBondContact CA-O 3.4Å; Q54-F59 HydrophobicContact CB-CD1 4.06Å; Q54-F59 HydrophobicContact CB-CE1 3.72Å; Q54-F59 HydrophobicContact CB-CE2 4.5Å; Q54-F59 HydrophobicContact CB-CZ 3.96Å; Q54-F59 HydrophobicContact CG-CE1 4.32Å; Q54-F59 HydrophobicContact CG-CE2 4.22Å; Q54-F59 HydrophobicContact CG-CZ 4.09Å; Q54-T85 HydrophobicContact CB-CG2 4.35Å; Q54-T85 PolarHBondContact N-O 2.96Å
55	S	96.8	Very high	97.7	Very high	63 Å²	63	35 Å²	35	44%	0.441	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	139.5	168.6	-172.3	0	0	0	0	110.3	G57 S58 Y60	S55-G57 PolarHBondContact O-N 3.1Å; S55-S58 PolarHBondContact N-O 2.78Å; S55-S58 PolarHBondContact O-N 2.95Å; S55-Y60 WeakPolarHBondContact O-CE2 3.45Å
56	G	94.4	Very high	97.8	Very high	82 Å²	82	34.4 Å²	34.4	85%	0.845	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	29.9	177.6	0	0	0	0	0	115.2	S58	G56-S58 VanDerWaalsContact C-N 3.27Å; G56-S58 PolarHBondContact O-N 2.96Å
57	G	94.4	Very high	97.8	Very high	65 Å²	65	33.5 Å²	33.5	67%	0.67	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.5	-2.8	-177	0	0	0	0	0	115.5	S55	S55-G57 PolarHBondContact O-N 3.1Å
58	S	96.6	Very high	97.8	Very high	59 Å²	59	33 Å²	33	41%	0.413	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	165.6	177.3	-63.2	0	0	0	0	111.3	Q54 S55 G56	Q54-S58 CarbonylContact C-O 3.48Å; Q54-S58 WeakPolarHBondContact CA-O 3.4Å; S55-S58 PolarHBondContact N-O 2.78Å; S55-S58 PolarHBondContact O-N 2.95Å; G56-S58 VanDerWaalsContact C-N 3.27Å; G56-S58 PolarHBondContact O-N 2.96Å
59	F	97.3	Very high	97.8	Very high	60 Å²	60	37.2 Å²	37.2	26%	0.263	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	138.2	173.8	-77.9	-91	0	0	0	110.4	Q52 Y53 Q54 T85 R87	Q52-F59 HydrophobicContact CB-CB 4.19Å; Q52-F59 HydrophobicContact CB-CD1 4.37Å; Y53-F59 CarbonylContact O-C 3.59Å; Y53-F59 VanDerWaalsContact O-CA 3.3Å; Y53-F59 WeakPolarHBondContact O-CA 3.19Å; Q54-F59 HydrophobicContact CB-CD1 4.06Å; Q54-F59 HydrophobicContact CB-CE1 3.72Å; Q54-F59 HydrophobicContact CB-CE2 4.5Å; Q54-F59 HydrophobicContact CB-CZ 3.96Å; Q54-F59 HydrophobicContact CG-CE1 4.32Å; Q54-F59 HydrophobicContact CG-CE2 4.22Å; Q54-F59 HydrophobicContact CG-CZ 4.09Å; F59-T85 HydrophobicContact CE1-CG2 4.46Å; F59-T85 HydrophobicContact CZ-CG2 4.45Å; F59-R87 VanDerWaalsContact CB-NE 3.27Å; F59-R87 HydrophobicContact CD1-CB 4.16Å; F59-R87 VanDerWaalsContact CD1-CD 3.47Å; F59-R87 HydrophobicContact CD1-CG 3.46Å; F59-R87 VanDerWaalsContact CD1-CG 3.46Å; F59-R87 HydrophobicContact CE1-CB 3.85Å; F59-R87 HydrophobicContact CE1-CG 3.68Å; F59-R87 VanDerWaalsContact CG-CD 3.5Å; F59-R87 HydrophobicContact CG-CG 4Å; F59-R87 VanDerWaalsContact CG-NE 3.3Å; F59-R87 HydrophobicContact CZ-CB 4.44Å; F59-R87 HydrophobicContact CZ-CG 4.41Å
60	Y	96.8	Very high	97.8	Very high	108 Å²	108	42.8 Å²	42.8	42%	0.424	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	133.9	-176.2	-59.5	-84.6	0	0	0	110.7	Q52 Y53 S55 T62	Q52-Y60 CarbonylContact C-O 3.59Å; Q52-Y60 WeakPolarHBondContact CA-O 3.12Å; Q52-Y60 WeakPolarHBondContact CB-O 3.48Å; Y53-Y60 WeakPolarHBondContact CD1-O 3.38Å; Y53-Y60 HydrophobicContact CE2-CD2 4.28Å; Y53-Y60 PolarHBondContact N-O 2.99Å; Y53-Y60 PolarHBondContact O-N 2.86Å; S55-Y60 WeakPolarHBondContact O-CE2 3.45Å; Y60-T62 PolarHBondContact O-N 2.61Å
61	H	97.5	Very high	97.7	Very high	20 Å²	20	43 Å²	43	9%	0.093	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	135.2	170.5	178.9	81.3	0	0	0	111.1	S50 C63 I95 W165 L174 G218	S50-H61 PolarHBondContact OG-ND1 2.77Å; H61-C63 VanDerWaalsContact CE1-C 3.48Å; H61-C63 PolarHBondContact CE1-O 3.31Å; H61-I95 HydrophobicContact CB-CD1 3.98Å; H61-W165 AromaticContact CE1-CE3 3.94Å; H61-L174 HydrophobicContact CB-CD1 4.49Å; H61-G218 PolarHBondContact NE2-O 3.46Å
62	T	97.3	Very high	97.7	Very high	47 Å²	47	44.4 Å²	44.4	29%	0.288	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	-29.4	174.2	-171.8	0	0	0	0	114	L51 Y53 Y60 W86	L51-T62 HydrophobicContact CG-CG2 4.4Å; L51-T62 PolarHBondContact O-N 3.26Å; Y53-T62 HydrophobicContact CD1-CG2 4.06Å; Y60-T62 PolarHBondContact O-N 2.61Å; T62-W86 HydrophobicContact CG2-CZ3 3.89Å
63	C	98.6	Very high	97.8	Very high	4 Å²	4	44.1 Å²	44.1	3%	0.027	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	162.7	-173.5	-80.2	0	0	0	0	110.4	L51 H61 C79 G218 S220	L51-C63 HydrophobicContact CB-CB 4.19Å; L51-C63 WeakPolarHBondContact CB-O 3.22Å; L51-C63 HydrophobicContact CD2-CB 4.13Å; L51-C63 PolarHBondContact N-O 2.88Å; L51-C63 PolarHBondContact O-N 2.78Å; H61-C63 VanDerWaalsContact CE1-C 3.48Å; H61-C63 PolarHBondContact CE1-O 3.31Å; C63-C79 HydrophobicContact CB-CB 3.74Å; C63-C79 WeakPolarHBondContact CB-SG 3.34Å; C63-C79 WeakPolarHBondContact SG-CB 3.17Å; C63-C79 CovalentContact SG-SG 2.03Å; C63-C79 PolarHBondContact SG-SG 3.17Å; C63-G218 WeakPolarHBondContact CA-O 3.4Å; C63-S220 CarbonylContact C-O 3.51Å; C63-S220 WeakPolarHBondContact CA-O 3.32Å; C63-S220 WeakPolarHBondContact CB-O 3.2Å
64	G	98.8	Very high	97.8	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-174.5	163.4	0	0	0	0	0	113.5	I49 T75 S220 G221	I49-G64 WeakPolarHBondContact O-CA 3.39Å; G64-T75 PolarHBondContact O-OG1 3.1Å; G64-S220 PolarHBondContact N-O 2.97Å; G64-G221 CarbonylContact O-C 3.43Å
65	G	98.9	Very high	97.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.3	-179.1	172.5	0	0	0	0	0	110.4	I49 M74 G221	I49-G65 PolarHBondContact N-O 3.04Å; I49-G65 VanDerWaalsContact N-O 3.1Å; I49-G65 PolarHBondContact O-N 3.01Å; G65-M74 CarbonylContact C-O 3.59Å; G65-M74 WeakPolarHBondContact CA-O 3.28Å; G65-G221 VanDerWaalsContact CA-O 3.31Å; G65-G221 WeakPolarHBondContact CA-O 3.08Å
66	T	98.9	Very high	98	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	127.5	176.8	-58.8	0	0	0	0	110	W47 I68 V73 M74 V234	W47-T66 HydrophobicContact CB-CG2 4.17Å; W47-T66 HydrophobicContact CG-CG2 4.26Å; W47-T66 CarbonylContact O-C 3.6Å; W47-T66 WeakPolarHBondContact O-CA 3.41Å; T66-I68 HydrophobicContact CG2-CG2 3.8Å; T66-I68 PolarHBondContact O-N 3.41Å; T66-V73 CarbonylContact O-C 3.53Å; T66-V73 VanDerWaalsContact O-CA 3.26Å; T66-V73 WeakPolarHBondContact O-CA 3.24Å; T66-M74 PolarHBondContact N-O 3.14Å; T66-M74 PolarHBondContact O-N 2.97Å; T66-V234 HydrophobicContact CG2-CB 4.47Å; T66-V234 HydrophobicContact CG2-CG1 4.31Å; T66-V234 HydrophobicContact CG2-CG2 3.94Å
67	L	98.9	Very high	98.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	115.8	166.6	-172.3	72.2	0	0	0	109.4	W47 I49 R69 V73 L90 L132 A136 L138 V142 L144 G145	W47-L67 PolarHBondContact O-N 2.99Å; I49-L67 HydrophobicContact CG2-CB 4.41Å; L67-R69 WeakPolarHBondContact CD1-O 3.36Å; L67-V73 HydrophobicContact CD1-CG2 3.96Å; L67-L90 HydrophobicContact CB-CD2 3.77Å; L67-L90 HydrophobicContact CD1-CD2 4.02Å; L67-L90 HydrophobicContact CD2-CD2 3.75Å; L67-L90 HydrophobicContact CG-CD2 4.03Å; L67-L132 HydrophobicContact CD1-CD1 4.08Å; L67-A136 HydrophobicContact CD1-CB 4.35Å; L67-A136 HydrophobicContact CD2-CB 4.01Å; L67-L138 HydrophobicContact CD2-CD2 4.12Å; L67-V142 HydrophobicContact CD2-CG1 3.92Å; L67-L144 HydrophobicContact CD2-CD2 3.67Å; L67-L144 HydrophobicContact CG-CD2 3.82Å; L67-L144 CarbonylContact O-C 3.54Å; L67-L144 WeakPolarHBondContact O-CA 3.49Å; L67-G145 PolarHBondContact O-N 2.86Å
68	I	98.8	Very high	98.4	Very high	14 Å²	14	29 Å²	29	7%	0.072	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	-23.2	-175.8	59.6	163.6	0	0	0	113.2	T66 W72 M74 L129 L147 M265 M269	T66-I68 HydrophobicContact CG2-CG2 3.8Å; T66-I68 PolarHBondContact O-N 3.41Å; I68-W72 HydrophobicContact CG1-CB 4.03Å; I68-W72 WeakPolarHBondContact CG1-O 3.29Å; I68-W72 PolarHBondContact N-O 2.94Å; I68-M74 HydrophobicContact CD1-CB 4.16Å; I68-M74 HydrophobicContact CG1-CB 4.46Å; I68-M74 HydrophobicContact CG2-CB 3.85Å; I68-M74 HydrophobicContact CG2-CE 4.34Å; I68-L129 HydrophobicContact CD1-CD2 3.64Å; I68-L147 HydrophobicContact CB-CD1 4.3Å; I68-L147 HydrophobicContact CG2-CD1 4.2Å; I68-L147 HydrophobicContact CG2-CD2 3.79Å; I68-L147 HydrophobicContact CG2-CG 4.33Å; I68-M265 HydrophobicContact CD1-SD 4.38Å; I68-M269 HydrophobicContact CD1-CE 3.93Å; I68-M269 HydrophobicContact CD1-SD 3.61Å; I68-M269 HydrophobicContact CG1-SD 4.26Å
69	R	98.6	Very high	98.5	Very high	96 Å²	96	26.6 Å²	26.6	36%	0.362	12%	0.116	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	164.8	163.2	-56.6	-176.4	174.6	-171.9	1.9	107.5	L67 G71 W72 M269 G270	L67-R69 WeakPolarHBondContact CD1-O 3.36Å; R69-G71 PolarHBondContact O-N 2.78Å; R69-W72 HydrophobicContact CB-CB 3.99Å; R69-W72 HydrophobicContact CB-CG 4.36Å; R69-W72 PolarHBondContact N-O 2.93Å; R69-W72 PolarHBondContact O-N 3.4Å; R69-M269 HydrophobicContact CG-SD 4Å; R69-G270 PolarHBondContact NH1-O 2.79Å
70	R	98.6	Very high	98.5	Very high	117 Å²	117	24 Å²	24	44%	0.442	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-37.9	-176.7	-65.1	178.5	66.5	-179.4	-3.6	113.5	D135 A136 L138	R70-D135 HydrophobicContact CB-CB 3.97Å; R70-A136 PolarHBondContact NE-O 2.96Å; R70-A136 PolarHBondContact NH2-O 3.46Å; R70-A136 WeakPolarHBondContact O-CB 3.34Å; R70-A136 PolarHBondContact O-N 3.04Å; R70-L138 HydrophobicContact CG-CD1 4.35Å; R70-L138 HydrophobicContact CG-CD2 4.31Å; R70-L138 HydrophobicContact CG-CG 4.25Å
71	G	98.6	Very high	98.4	Very high	5 Å²	5	21.4 Å²	21.4	5%	0.052	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	11.9	176.6	0	0	0	0	0	115.3	R69 R131 L132 D135	R69-G71 PolarHBondContact O-N 2.78Å; G71-R131 WeakPolarHBondContact O-CA 3.33Å; G71-L132 PolarHBondContact O-N 3.46Å; G71-D135 VanDerWaalsContact CA-OD1 3.25Å; G71-D135 WeakPolarHBondContact CA-OD1 3.41Å; G71-D135 PolarHBondContact N-OD1 3.44Å
72	W	98.9	Very high	98.3	Very high	30 Å²	30	28.8 Å²	28.8	11%	0.114	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	127.9	-171.9	-67.7	93.1	0	0	0	113.4	I68 R69 Y111 L129 L130 R131 I268 M269	I68-W72 HydrophobicContact CG1-CB 4.03Å; I68-W72 WeakPolarHBondContact CG1-O 3.29Å; I68-W72 PolarHBondContact N-O 2.94Å; R69-W72 HydrophobicContact CB-CB 3.99Å; R69-W72 HydrophobicContact CB-CG 4.36Å; R69-W72 PolarHBondContact N-O 2.93Å; R69-W72 PolarHBondContact O-N 3.4Å; W72-Y111 HydrophobicContact CH2-CD2 4.07Å; W72-Y111 AromaticContact CH2-CE2 3.58Å; W72-Y111 HydrophobicContact CH2-CE2 3.58Å; W72-Y111 AromaticContact CZ3-CD2 3.72Å; W72-Y111 HydrophobicContact CZ3-CD2 3.72Å; W72-Y111 AromaticContact CZ3-CE2 3.68Å; W72-Y111 HydrophobicContact CZ3-CE2 3.68Å; W72-L129 HydrophobicContact CE3-CB 4.07Å; W72-L129 HydrophobicContact CE3-CD1 4.47Å; W72-L129 HydrophobicContact CZ3-CB 4.06Å; W72-L129 HydrophobicContact CZ3-CD1 4.49Å; W72-L130 WeakPolarHBondContact CA-O 3.43Å; W72-R131 HydrophobicContact CE3-CB 4.23Å; W72-R131 HydrophobicContact CH2-CB 4.05Å; W72-R131 HydrophobicContact CH2-CG 4.35Å; W72-R131 HydrophobicContact CZ2-CB 4.39Å; W72-R131 HydrophobicContact CZ2-CG 4.2Å; W72-R131 HydrophobicContact CZ3-CB 3.96Å; W72-I268 HydrophobicContact CH2-CG2 3.81Å; W72-I268 HydrophobicContact CZ3-CG2 3.84Å; W72-M269 HydrophobicContact CB-SD 3.95Å; W72-M269 HydrophobicContact CD2-CG 3.69Å; W72-M269 HydrophobicContact CD2-SD 4.17Å; W72-M269 HydrophobicContact CE3-CG 3.97Å; W72-M269 HydrophobicContact CG-CG 3.99Å; W72-M269 HydrophobicContact CG-SD 3.87Å; W72-M269 HydrophobicContact CH2-CG 4.47Å; W72-M269 HydrophobicContact CZ2-CB 4.48Å; W72-M269 HydrophobicContact CZ2-CG 4.25Å; W72-M269 HydrophobicContact CZ3-CG 4.35Å
73	V	98.9	Very high	98.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	138.5	174.1	167.6	0	0	0	0	110.2	I49 T66 L67 V88 L129 L130 L132	I49-V73 HydrophobicContact CD1-CG1 4.05Å; I49-V73 HydrophobicContact CG1-CG1 3.74Å; I49-V73 HydrophobicContact CG1-CG2 4.39Å; I49-V73 HydrophobicContact CG2-CG2 4.48Å; T66-V73 CarbonylContact O-C 3.53Å; T66-V73 VanDerWaalsContact O-CA 3.26Å; T66-V73 WeakPolarHBondContact O-CA 3.24Å; L67-V73 HydrophobicContact CD1-CG2 3.96Å; V73-V88 HydrophobicContact CG2-CG1 4.04Å; V73-V88 HydrophobicContact CG2-CG2 4.28Å; V73-L129 CarbonylContact O-C 3.57Å; V73-L129 WeakPolarHBondContact O-CA 3.36Å; V73-L130 HydrophobicContact CB-CB 4.18Å; V73-L130 HydrophobicContact CB-CD1 4.37Å; V73-L130 HydrophobicContact CB-CG 4.47Å; V73-L130 HydrophobicContact CG1-CD1 4.06Å; V73-L130 HydrophobicContact CG1-CG 4.45Å; V73-L130 PolarHBondContact N-O 2.85Å; V73-L130 PolarHBondContact O-N 3.1Å; V73-L132 HydrophobicContact CG2-CD1 4.25Å; V73-L132 HydrophobicContact CG2-CD2 4.04Å; V73-L132 HydrophobicContact CG2-CG 4.41Å
74	M	98.9	Very high	98	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	134.7	167.6	179.4	177.3	64.1	0	0	109.7	G65 T66 I68 I127 L129 L147 V234 V237 V258 M265	G65-M74 CarbonylContact C-O 3.59Å; G65-M74 WeakPolarHBondContact CA-O 3.28Å; T66-M74 PolarHBondContact N-O 3.14Å; T66-M74 PolarHBondContact O-N 2.97Å; I68-M74 HydrophobicContact CD1-CB 4.16Å; I68-M74 HydrophobicContact CG1-CB 4.46Å; I68-M74 HydrophobicContact CG2-CB 3.85Å; I68-M74 HydrophobicContact CG2-CE 4.34Å; M74-I127 HydrophobicContact CG-CD1 4.2Å; M74-I127 HydrophobicContact CG-CG1 4.26Å; M74-I127 HydrophobicContact SD-CD1 4.01Å; M74-L129 HydrophobicContact CB-CD2 4.06Å; M74-L129 HydrophobicContact CG-CD2 4.42Å; M74-L147 HydrophobicContact CE-CD2 4.01Å; M74-V234 HydrophobicContact CE-CG1 3.76Å; M74-V237 HydrophobicContact CE-CG2 3.7Å; M74-V237 HydrophobicContact CG-CG2 3.77Å; M74-V237 HydrophobicContact SD-CG2 3.65Å; M74-V258 HydrophobicContact CE-CG1 4.21Å; M74-V258 HydrophobicContact CE-CG2 3.71Å; M74-V258 HydrophobicContact SD-CG1 4.02Å; M74-V258 HydrophobicContact SD-CG2 3.92Å; M74-M265 HydrophobicContact CG-SD 4.26Å; M74-M265 HydrophobicContact SD-CE 4.19Å; M74-M265 HydrophobicContact SD-SD 3.64Å; M74-M265 VanDerWaalsContact SD-SD 3.64Å
75	T	98.9	Very high	98	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	-177.5	175.2	-169	0	0	0	0	110.2	L51 G64 V80 I127 A128 L130 G221	L51-T75 HydrophobicContact CD2-CG2 4.41Å; G64-T75 PolarHBondContact O-OG1 3.1Å; T75-V80 HydrophobicContact CG2-CG1 4.41Å; T75-I127 WeakPolarHBondContact O-CA 3.44Å; T75-A128 HydrophobicContact CG2-CB 4.29Å; T75-A128 PolarHBondContact N-O 2.59Å; T75-A128 PolarHBondContact O-N 3.34Å; T75-L130 HydrophobicContact CG2-CD1 3.94Å; T75-L130 HydrophobicContact CG2-CD2 4.03Å; T75-L130 HydrophobicContact CG2-CG 3.94Å; T75-G221 WeakPolarHBondContact OG1-CA 3.43Å
76	A	98.9	Very high	98	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.2	C	C	.	.			trans	-80.4	147.7	175.7	0	0	0	0	0	110.8	C79 G221 V237	A76-C79 WeakPolarHBondContact O-CB 3.36Å; A76-C79 PolarHBondContact O-N 3.4Å; A76-G221 VanDerWaalsContact N-CA 3.34Å; A76-V237 HydrophobicContact CB-CG1 3.97Å
77	A	98.9	Very high	97.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-65.8	-40.8	178.6	0	0	0	0	0	111.6	C79 V80 D81 I112 W116 D126	A77-C79 PolarHBondContact O-N 3.03Å; A77-C79 VanDerWaalsContact O-N 3.11Å; A77-V80 CarbonylContact O-C 3.56Å; A77-V80 PolarHBondContact O-N 3.22Å; A77-D81 PolarHBondContact O-N 3.47Å; A77-I112 HydrophobicContact CB-CG2 3.86Å; A77-W116 HydrophobicContact CB-CB 4.07Å; A77-W116 HydrophobicContact CB-CD2 3.52Å; A77-W116 HydrophobicContact CB-CE3 4.1Å; A77-W116 HydrophobicContact CB-CG 3.49Å; A77-W116 VanDerWaalsContact CB-CG 3.49Å; A77-D126 WeakPolarHBondContact CA-OD1 3.46Å; A77-D126 PolarHBondContact N-OD1 3.17Å
78	H	98.5	Very high	97.9	Very high	49 Å²	49	44.2 Å²	44.2	23%	0.227	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-63.4	-17.7	179.5	76.8	-100.6	0	0	0	113.8	V80 W116 D126 S220 S239	H78-V80 VanDerWaalsContact C-N 3.28Å; H78-W116 HydrophobicContact CB-CH2 3.8Å; H78-W116 HydrophobicContact CB-CZ2 3.44Å; H78-W116 VanDerWaalsContact CB-CZ2 3.44Å; H78-D126 IonicContact CE1-OD2 3.44Å; H78-D126 PolarHBondContact CE1-OD2 3.1Å; H78-D126 IonicContact CG-OD1 3.83Å; H78-D126 IonicContact CG-OD2 3.87Å; H78-D126 PolarHBondContact N-OD1 3.39Å; H78-D126 VanDerWaalsContact ND1-CG 3.32Å; H78-D126 IonicContact ND1-OD1 3.17Å; H78-D126 PolarHBondContact ND1-OD1 3.15Å; H78-D126 VanDerWaalsContact ND1-OD1 3.17Å; H78-D126 IonicContact ND1-OD2 2.73Å; H78-D126 PolarHBondContact ND1-OD2 3.34Å; H78-S220 PolarHBondContact CE1-OG 3.3Å; H78-S220 WeakPolarHBondContact NE2-CB 3.2Å; H78-S220 PolarHBondContact NE2-OG 2.81Å; H78-S239 PolarHBondContact CE1-O 3.29Å
79	C	98.6	Very high	97.9	Very high	8 Å²	8	43.5 Å²	43.5	5%	0.054	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-72.4	-24.1	175.2	-70.6	0	0	0	0	112.6	L51 C63 A76 A77 W86	L51-C79 HydrophobicContact CD2-CB 4.04Å; C63-C79 HydrophobicContact CB-CB 3.74Å; C63-C79 WeakPolarHBondContact CB-SG 3.34Å; C63-C79 WeakPolarHBondContact SG-CB 3.17Å; C63-C79 CovalentContact SG-SG 2.03Å; C63-C79 PolarHBondContact SG-SG 3.17Å; A76-C79 WeakPolarHBondContact O-CB 3.36Å; A76-C79 PolarHBondContact O-N 3.4Å; A77-C79 PolarHBondContact O-N 3.03Å; A77-C79 VanDerWaalsContact O-N 3.11Å; C79-W86 WeakPolarHBondContact O-CH2 3.48Å
80	V	98.5	Very high	97.9	Very high	6 Å²	6	39 Å²	39	4%	0.036	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.7	11.6	-168.3	-63.9	0	0	0	0	113.4	L51 T75 A77 H78 R82 W86 V110 I112 A128 L130	L51-V80 HydrophobicContact CD2-CG1 3.64Å; T75-V80 HydrophobicContact CG2-CG1 4.41Å; A77-V80 CarbonylContact O-C 3.56Å; A77-V80 PolarHBondContact O-N 3.22Å; H78-V80 VanDerWaalsContact C-N 3.28Å; V80-R82 PolarHBondContact O-N 3.34Å; V80-W86 HydrophobicContact CB-CZ2 4.3Å; V80-W86 HydrophobicContact CG1-CD2 4.33Å; V80-W86 HydrophobicContact CG1-CZ2 4.23Å; V80-V110 HydrophobicContact CB-CG1 3.87Å; V80-V110 HydrophobicContact CG2-CG1 3.52Å; V80-I112 HydrophobicContact CG2-CD1 4.38Å; V80-I112 HydrophobicContact CG2-CG1 4.14Å; V80-A128 HydrophobicContact CG2-CB 3.67Å; V80-L130 HydrophobicContact CG1-CD2 4.02Å; V80-L130 HydrophobicContact CG2-CD2 4.39Å
81	D	95	Very high	97.9	Very high	52 Å²	52	33.8 Å²	33.8	28%	0.278	17%	0.172	S	C	.	.	S	Bend	trans	-74.5	-1.3	177.1	70.1	1.7	0	0	0	113.7	A77 I112 W116 T118	A77-D81 PolarHBondContact O-N 3.47Å; D81-I112 HydrophobicContact CB-CD1 4.21Å; D81-W116 PolarHBondContact OD2-NE1 3.36Å; D81-T118 VanDerWaalsContact OD2-CB 3.3Å; D81-T118 WeakPolarHBondContact OD2-CB 3.38Å; D81-T118 PolarHBondContact OD2-OG1 3.14Å
82	R	94.9	Very high	97.8	Very high	176 Å²	176	34.2 Å²	34.2	66%	0.664	17%	0.174	S	C	*	.	S	Bend	trans	-102	142.5	169.4	-58.7	-180	-173.7	-178	0.2	110.5	V80 M84 W86	V80-R82 PolarHBondContact O-N 3.34Å; R82-M84 HydrophobicContact CB-CE 4.35Å; R82-M84 HydrophobicContact CB-CG 4.32Å; R82-M84 PolarHBondContact O-N 3.04Å; R82-W86 WeakPolarHBondContact O-CZ2 3.21Å
83	S	93.6	Very high	97.7	Very high	128 Å²	128	33.3 Å²	33.3	90%	0.895	17%	0.171	S	C	*	.			trans	-75.3	105	172.2	-175.9	0	0	0	0	110.3
84	M	95.9	Very high	97.6	Very high	86 Å²	86	34.3 Å²	34.3	42%	0.424	18%	0.176	S	C	.	.			trans	-137.5	166.5	176.6	-59.3	-72.8	-178.4	0	0	110.1	R82 W86	R82-M84 HydrophobicContact CB-CE 4.35Å; R82-M84 HydrophobicContact CB-CG 4.32Å; R82-M84 PolarHBondContact O-N 3.04Å; M84-W86 HydrophobicContact CB-CD2 4.13Å; M84-W86 HydrophobicContact CB-CE3 4.49Å; M84-W86 HydrophobicContact CB-CH2 4.01Å; M84-W86 HydrophobicContact CB-CZ2 3.6Å; M84-W86 HydrophobicContact CB-CZ3 4.44Å; M84-W86 HydrophobicContact CG-CH2 3.95Å; M84-W86 HydrophobicContact CG-CZ2 3.77Å; M84-W86 VanDerWaalsContact O-CD1 3.28Å; M84-W86 PolarHBondContact O-NE1 3.46Å
85	T	97.8	Very high	97.3	Very high	79 Å²	79	35.4 Å²	35.4	49%	0.485	18%	0.182	S	C	.	.			trans	-82.1	119.4	163.5	-55.6	0	0	0	0	109	Y53 Q54 F59	Y53-T85 WeakPolarHBondContact CA-O 3Å; Q54-T85 HydrophobicContact CB-CG2 4.35Å; Q54-T85 PolarHBondContact N-O 2.96Å; F59-T85 HydrophobicContact CE1-CG2 4.46Å; F59-T85 HydrophobicContact CZ-CG2 4.45Å
86	W	98.4	Very high	97	Very high	24 Å²	24	42.5 Å²	42.5	9%	0.091	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	143.4	-176.8	-54.9	108.5	0	0	0	111.8	L51 Q52 T62 C79 V80 R82 M84 V107	L51-W86 HydrophobicContact CD1-CB 4.29Å; L51-W86 HydrophobicContact CD1-CE3 4.19Å; L51-W86 HydrophobicContact CG-CE3 4.27Å; Q52-W86 WeakPolarHBondContact O-CA 3.43Å; T62-W86 HydrophobicContact CG2-CZ3 3.89Å; C79-W86 WeakPolarHBondContact O-CH2 3.48Å; V80-W86 HydrophobicContact CB-CZ2 4.3Å; V80-W86 HydrophobicContact CG1-CD2 4.33Å; V80-W86 HydrophobicContact CG1-CZ2 4.23Å; R82-W86 WeakPolarHBondContact O-CZ2 3.21Å; M84-W86 HydrophobicContact CB-CD2 4.13Å; M84-W86 HydrophobicContact CB-CE3 4.49Å; M84-W86 HydrophobicContact CB-CH2 4.01Å; M84-W86 HydrophobicContact CB-CZ2 3.6Å; M84-W86 HydrophobicContact CB-CZ3 4.44Å; M84-W86 HydrophobicContact CG-CH2 3.95Å; M84-W86 HydrophobicContact CG-CZ2 3.77Å; M84-W86 VanDerWaalsContact O-CD1 3.28Å; M84-W86 PolarHBondContact O-NE1 3.46Å; W86-V107 HydrophobicContact CB-CB 3.86Å; W86-V107 HydrophobicContact CB-CG2 3.71Å; W86-V107 PolarHBondContact O-N 3.38Å; W86-V107 VanDerWaalsContact O-N 3.11Å
87	R	98.6	Very high	96.7	Very high	58 Å²	58	47.2 Å²	47.2	22%	0.219	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	155.5	161.8	78	177.7	-175.5	179.8	2	110.8	Q52 F59 L105	Q52-R87 HydrophobicContact CB-CG 3.93Å; Q52-R87 PolarHBondContact N-O 2.82Å; Q52-R87 PolarHBondContact O-N 3.07Å; F59-R87 VanDerWaalsContact CB-NE 3.27Å; F59-R87 HydrophobicContact CD1-CB 4.16Å; F59-R87 VanDerWaalsContact CD1-CD 3.47Å; F59-R87 HydrophobicContact CD1-CG 3.46Å; F59-R87 VanDerWaalsContact CD1-CG 3.46Å; F59-R87 HydrophobicContact CE1-CB 3.85Å; F59-R87 HydrophobicContact CE1-CG 3.68Å; F59-R87 VanDerWaalsContact CG-CD 3.5Å; F59-R87 HydrophobicContact CG-CG 4Å; F59-R87 VanDerWaalsContact CG-NE 3.3Å; F59-R87 HydrophobicContact CZ-CB 4.44Å; F59-R87 HydrophobicContact CZ-CG 4.41Å; R87-L105 CarbonylContact C-O 3.56Å; R87-L105 WeakPolarHBondContact CA-O 3.42Å
88	V	98.8	Very high	96.5	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	135.2	173.3	168.6	0	0	0	0	108	I49 L51 V73 L90 L105 V107 L130 L132	I49-V88 HydrophobicContact CB-CG1 3.73Å; I49-V88 HydrophobicContact CD1-CG1 4.22Å; I49-V88 HydrophobicContact CD1-CG2 4.37Å; I49-V88 HydrophobicContact CG1-CG1 3.98Å; I49-V88 HydrophobicContact CG2-CG1 3.84Å; L51-V88 HydrophobicContact CD1-CG2 4.24Å; V73-V88 HydrophobicContact CG2-CG1 4.04Å; V73-V88 HydrophobicContact CG2-CG2 4.28Å; V88-L90 HydrophobicContact CG1-CD1 4.22Å; V88-L90 HydrophobicContact CG1-CG 4.05Å; V88-L105 PolarHBondContact N-O 2.74Å; V88-L105 PolarHBondContact O-N 3.17Å; V88-V107 HydrophobicContact CG2-CG2 3.97Å; V88-L130 HydrophobicContact CG2-CD1 4.16Å; V88-L132 HydrophobicContact CB-CD2 3.93Å; V88-L132 HydrophobicContact CG1-CD2 4.36Å; V88-L132 HydrophobicContact CG2-CD2 3.75Å
89	V	98.6	Very high	96.2	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	123.5	169.2	-162.6	0	0	0	0	108.9	I49 S50 Q52 D92 E102 Q103 Y104	I49-V89 WeakPolarHBondContact CA-O 3.35Å; I49-V89 WeakPolarHBondContact CB-O 3.42Å; S50-V89 PolarHBondContact N-O 2.96Å; S50-V89 PolarHBondContact O-N 2.88Å; Q52-V89 HydrophobicContact CG-CG2 4.18Å; V89-D92 HydrophobicContact CG1-CB 3.94Å; V89-E102 HydrophobicContact CG1-CB 3.97Å; V89-E102 HydrophobicContact CG1-CG 4.17Å; V89-Q103 WeakPolarHBondContact CA-O 3.26Å; V89-Y104 HydrophobicContact CB-CD1 4.31Å; V89-Y104 HydrophobicContact CB-CE1 4.4Å; V89-Y104 HydrophobicContact CG1-CD1 3.77Å; V89-Y104 HydrophobicContact CG1-CE1 3.59Å; V89-Y104 HydrophobicContact CG1-CG 4.49Å; V89-Y104 HydrophobicContact CG2-CD1 3.61Å; V89-Y104 HydrophobicContact CG2-CE1 3.86Å
90	L	98.6	Very high	96.1	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	152.2	178.2	-69.9	140.8	0	0	0	110	I49 L67 V88 D92 E102 Q103 L105 A136 V142	I49-L90 HydrophobicContact CG2-CD2 3.26Å; I49-L90 HydrophobicContact CG2-CG 3.73Å; L67-L90 HydrophobicContact CB-CD2 3.77Å; L67-L90 HydrophobicContact CD1-CD2 4.02Å; L67-L90 HydrophobicContact CD2-CD2 3.75Å; L67-L90 HydrophobicContact CG-CD2 4.03Å; V88-L90 HydrophobicContact CG1-CD1 4.22Å; V88-L90 HydrophobicContact CG1-CG 4.05Å; L90-D92 PolarHBondContact O-N 3.4Å; L90-E102 CarbonylContact O-C 3.57Å; L90-E102 VanDerWaalsContact O-CA 3.24Å; L90-E102 WeakPolarHBondContact O-CA 3.39Å; L90-Q103 HydrophobicContact CB-CB 4.28Å; L90-Q103 HydrophobicContact CD1-CB 4.47Å; L90-Q103 PolarHBondContact N-O 2.8Å; L90-Q103 VanDerWaalsContact N-O 3.1Å; L90-Q103 PolarHBondContact O-N 2.82Å; L90-L105 HydrophobicContact CD1-CD1 3.56Å; L90-L105 HydrophobicContact CD1-CG 4.28Å; L90-A136 HydrophobicContact CD1-CB 3.79Å; L90-V142 HydrophobicContact CB-CG1 4.19Å; L90-V142 HydrophobicContact CB-CG2 3.92Å; L90-V142 HydrophobicContact CD2-CG1 3.95Å
91	G	97.8	Very high	95.9	Very high	8 Å²	8	60.8 Å²	60.8	8%	0.082	32%	0.317	C	S	.	.	S	Bend	trans	70.7	13.7	176.7	0	0	0	0	0	114.3	S141	G91-S141 WeakPolarHBondContact CA-O 3.38Å
92	D	96.8	Very high	96	Very high	14 Å²	14	59.4 Å²	59.4	8%	0.075	31%	0.309	C	S	.	.			trans	-84.7	136.3	179.1	-164	-16.2	0	0	0	109.5	V89 L90 D94 I95 E102 W165	V89-D92 HydrophobicContact CG1-CB 3.94Å; L90-D92 PolarHBondContact O-N 3.4Å; D92-D94 PolarHBondContact OD1-N 3.29Å; D92-I95 PolarHBondContact OD1-N 2.83Å; D92-E102 HydrophobicContact CB-CG 4.15Å; D92-W165 HydrophobicContact CB-CZ2 4.4Å; D92-W165 WeakPolarHBondContact O-CZ2 3.32Å
93	H	96.7	Very high	96.2	Very high	12 Å²	12	52.7 Å²	52.7	6%	0.056	29%	0.285	C	S	.	.	S	Bend	trans	-119	-41.9	169.6	173.9	69.6	0	0	0	111.1	A40 E99 W165 Q177 L178	A40-H93 PolarHBondContact O-CE1 2.88Å; H93-E99 WeakPolarHBondContact CA-OE2 3.09Å; H93-E99 VanDerWaalsContact CB-OE2 3.24Å; H93-E99 WeakPolarHBondContact CB-OE2 3.34Å; H93-E99 IonicContact CD2-OE1 3.79Å; H93-E99 PolarHBondContact N-OE2 2.81Å; H93-W165 PolarHBondContact O-NE1 2.94Å; H93-Q177 CarbonylContact O-C 3.55Å; H93-Q177 VanDerWaalsContact O-CA 3.3Å; H93-Q177 WeakPolarHBondContact O-CA 3.39Å; H93-L178 PolarHBondContact O-N 3.05Å
94	D	95.9	Very high	96.4	Very high	20 Å²	20	51.1 Å²	51.1	11%	0.107	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-111.6	105.5	171.6	-174.5	-22.8	0	0	0	112.3	D92 Y96 N97 E99 A176 Q177	D92-D94 PolarHBondContact OD1-N 3.29Å; D94-Y96 PolarHBondContact O-N 2.93Å; D94-Y96 PolarHBondContact OD1-N 3.14Å; D94-N97 HydrophobicContact CB-CB 4.19Å; D94-N97 VanDerWaalsContact CG-ND2 3.35Å; D94-N97 PolarHBondContact O-N 2.83Å; D94-N97 PolarHBondContact OD2-ND2 2.91Å; D94-E99 PolarHBondContact N-OE2 3.49Å; D94-A176 WeakPolarHBondContact CA-O 3.49Å; D94-Q177 HydrophobicContact CB-CG 4.35Å
95	I	93.1	Very high	96.6	Very high	24 Å²	24	47.9 Å²	47.9	12%	0.123	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-7.1	-172.7	58.1	166.3	0	0	0	114.8	H61 D92 W165 A176	H61-I95 HydrophobicContact CB-CD1 3.98Å; D92-I95 PolarHBondContact OD1-N 2.83Å; I95-W165 HydrophobicContact CD1-CB 4.13Å; I95-W165 HydrophobicContact CD1-CG 4.31Å; I95-W165 HydrophobicContact CG1-CG 4.47Å; I95-W165 HydrophobicContact CG2-CD2 3.76Å; I95-W165 HydrophobicContact CG2-CE3 4.46Å; I95-W165 HydrophobicContact CG2-CG 3.82Å; I95-W165 HydrophobicContact CG2-CZ2 4.12Å; I95-A176 WeakPolarHBondContact CG1-O 3.35Å; I95-A176 PolarHBondContact N-O 3.49Å
96	Y	92.4	Very high	96.6	Very high	149 Å²	149	45.6 Å²	45.6	58%	0.584	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.7	-6.1	176.4	-59.1	-53	0	0	0	113.5	D94 A176	D94-Y96 PolarHBondContact O-N 2.93Å; D94-Y96 PolarHBondContact OD1-N 3.14Å; Y96-A176 HydrophobicContact CD2-CB 3.58Å; Y96-A176 HydrophobicContact CE2-CB 3.96Å
97	N	93.6	Very high	96.6	Very high	99 Å²	99	45.6 Å²	45.6	53%	0.529	24%	0.239	S	C	.	.	S	Bend	trans	-122.5	154.7	179.7	-70.5	-52.7	0	0	0	110.5	D94	D94-N97 HydrophobicContact CB-CB 4.19Å; D94-N97 VanDerWaalsContact CG-ND2 3.35Å; D94-N97 PolarHBondContact O-N 2.83Å; D94-N97 PolarHBondContact OD2-ND2 2.91Å
98	N	93.5	Very high	96.6	Very high	114 Å²	114	46 Å²	46	61%	0.61	25%	0.251	S	S	*	.			trans	-105.2	114.2	171.8	-177.5	-37	0	0	0	108.1	G100 E102	N98-G100 WeakPolarHBondContact OD1-CA 3.22Å; N98-G100 PolarHBondContact OD1-N 2.82Å; N98-E102 PolarHBondContact OD1-OE2 2.79Å
99	E	93.7	Very high	96.6	Very high	76 Å²	76	50.1 Å²	50.1	36%	0.355	27%	0.27	S	S	.	.			trans	-96.4	0.1	-175.2	-57.3	174.6	95.2	0	0	112.2	H93 D94 E102	H93-E99 WeakPolarHBondContact CA-OE2 3.09Å; H93-E99 VanDerWaalsContact CB-OE2 3.24Å; H93-E99 WeakPolarHBondContact CB-OE2 3.34Å; H93-E99 IonicContact CD2-OE1 3.79Å; H93-E99 PolarHBondContact N-OE2 2.81Å; D94-E99 PolarHBondContact N-OE2 3.49Å; E99-E102 WeakPolarHBondContact CB-OE1 3.26Å; E99-E102 PolarHBondContact N-OE1 3.11Å; E99-E102 PolarHBondContact N-OE2 3.18Å
100	G	95.1	Very high	96.6	Very high	67 Å²	67	52.3 Å²	52.3	69%	0.691	28%	0.284	S	S	*	.	S	Bend	trans	81.9	10.9	176.3	0	0	0	0	0	114.7	N98 E102	N98-G100 WeakPolarHBondContact OD1-CA 3.22Å; N98-G100 PolarHBondContact OD1-N 2.82Å; G100-E102 PolarHBondContact N-OE2 3.35Å
101	K	94.8	Very high	96.6	Very high	91 Å²	91	54.8 Å²	54.8	40%	0.396	29%	0.293	S	S	.	.			trans	-115.1	-10.2	-178.4	-64.6	177.4	-173.3	169.5	0	113
102	E	98.1	Very high	96.6	Very high	22 Å²	22	57.2 Å²	57.2	10%	0.103	30%	0.304	C	S	.	.			trans	-72.6	137.2	-169.8	-62.5	82.3	170.7	0	0	111.3	V89 L90 D92 N98 E99 G100 Y104	V89-E102 HydrophobicContact CG1-CB 3.97Å; V89-E102 HydrophobicContact CG1-CG 4.17Å; L90-E102 CarbonylContact O-C 3.57Å; L90-E102 VanDerWaalsContact O-CA 3.24Å; L90-E102 WeakPolarHBondContact O-CA 3.39Å; D92-E102 HydrophobicContact CB-CG 4.15Å; N98-E102 PolarHBondContact OD1-OE2 2.79Å; E99-E102 WeakPolarHBondContact CB-OE1 3.26Å; E99-E102 PolarHBondContact N-OE1 3.11Å; E99-E102 PolarHBondContact N-OE2 3.18Å; G100-E102 PolarHBondContact N-OE2 3.35Å; E102-Y104 HydrophobicContact CB-CD2 4.37Å; E102-Y104 HydrophobicContact CB-CE1 4.49Å; E102-Y104 HydrophobicContact CB-CE2 3.65Å
103	Q	98.4	Very high	96.7	Very high	36 Å²	36	57.3 Å²	57.3	17%	0.168	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	113.8	167.7	-63.3	173	49.5	0	0	109	V89 L90 L105 V137	V89-Q103 WeakPolarHBondContact CA-O 3.26Å; L90-Q103 HydrophobicContact CB-CB 4.28Å; L90-Q103 HydrophobicContact CD1-CB 4.47Å; L90-Q103 PolarHBondContact N-O 2.8Å; L90-Q103 VanDerWaalsContact N-O 3.1Å; L90-Q103 PolarHBondContact O-N 2.82Å; Q103-L105 HydrophobicContact CB-CD2 4.43Å; Q103-L105 HydrophobicContact CB-CG 4.3Å; Q103-V137 PolarHBondContact NE2-O 3.19Å
104	Y	98.4	Very high	96.8	Very high	95 Å²	95	61.6 Å²	61.6	37%	0.373	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	104.1	177.5	-56.7	-86.7	0	0	0	109.6	V89 E102	V89-Y104 HydrophobicContact CB-CD1 4.31Å; V89-Y104 HydrophobicContact CB-CE1 4.4Å; V89-Y104 HydrophobicContact CG1-CD1 3.77Å; V89-Y104 HydrophobicContact CG1-CE1 3.59Å; V89-Y104 HydrophobicContact CG1-CG 4.49Å; V89-Y104 HydrophobicContact CG2-CD1 3.61Å; V89-Y104 HydrophobicContact CG2-CE1 3.86Å; E102-Y104 HydrophobicContact CB-CD2 4.37Å; E102-Y104 HydrophobicContact CB-CE1 4.49Å; E102-Y104 HydrophobicContact CB-CE2 3.65Å
105	L	98.7	Very high	96.9	Very high	17 Å²	17	65.1 Å²	65.1	9%	0.089	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	128.1	-173.7	-54.6	-176.1	0	0	0	110.3	R87 V88 L90 Q103 L132 A136	R87-L105 CarbonylContact C-O 3.56Å; R87-L105 WeakPolarHBondContact CA-O 3.42Å; V88-L105 PolarHBondContact N-O 2.74Å; V88-L105 PolarHBondContact O-N 3.17Å; L90-L105 HydrophobicContact CD1-CD1 3.56Å; L90-L105 HydrophobicContact CD1-CG 4.28Å; Q103-L105 HydrophobicContact CB-CD2 4.43Å; Q103-L105 HydrophobicContact CB-CG 4.3Å; L105-L132 HydrophobicContact CD1-CD1 3.82Å; L105-A136 HydrophobicContact CD1-CB 3.98Å
106	G	98.7	Very high	97.2	Very high	31 Å²	31	65.5 Å²	65.5	32%	0.32	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	155.5	173.5	0	0	0	0	0	111.9	L132 S133	G106-L132 CarbonylContact O-C 3.48Å; G106-L132 WeakPolarHBondContact O-CA 3.31Å; G106-S133 PolarHBondContact O-N 3.15Å; G106-S133 PolarHBondContact O-OG 3.1Å
107	V	98.8	Very high	97.5	Very high	24 Å²	24	61.9 Å²	61.9	15%	0.145	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	119	169.4	179.7	0	0	0	0	108.8	W86 V88 Q109 V110 L130	W86-V107 HydrophobicContact CB-CB 3.86Å; W86-V107 HydrophobicContact CB-CG2 3.71Å; W86-V107 PolarHBondContact O-N 3.38Å; W86-V107 VanDerWaalsContact O-N 3.11Å; V88-V107 HydrophobicContact CG2-CG2 3.97Å; V107-Q109 WeakPolarHBondContact CG1-O 3.45Å; V107-V110 HydrophobicContact CG1-CG2 3.98Å; V107-L130 HydrophobicContact CG1-CB 3.94Å; V107-L130 HydrophobicContact CG1-CD2 4.42Å; V107-L130 HydrophobicContact CG2-CB 4.35Å; V107-L130 HydrophobicContact CG2-CD1 4.2Å
108	S	98.2	Very high	97.6	Very high	66 Å²	66	60.9 Å²	60.9	46%	0.462	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-32.3	179.1	63.4	0	0	0	0	112.8	R131	S108-R131 PolarHBondContact N-O 3.45Å; S108-R131 PolarHBondContact OG-O 2.89Å
109	Q	98.3	Very high	97.8	Very high	87 Å²	87	62.5 Å²	62.5	41%	0.407	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	142.8	-178.3	-165.4	168.1	-11.8	0	0	111.5	V107 Y111 R131	V107-Q109 WeakPolarHBondContact CG1-O 3.45Å; Q109-Y111 HydrophobicContact CB-CE2 3.81Å; Q109-Y111 HydrophobicContact CG-CD2 4.18Å; Q109-Y111 HydrophobicContact CG-CE1 4.49Å; Q109-Y111 HydrophobicContact CG-CE2 3.57Å; Q109-Y111 PolarHBondContact NE2-OH 2.88Å; Q109-Y111 PolarHBondContact OE1-OH 2.87Å; Q109-R131 HydrophobicContact CB-CB 4.19Å; Q109-R131 PolarHBondContact N-O 2.92Å; Q109-R131 PolarHBondContact O-N 2.87Å
110	V	98.7	Very high	98	Very high	47 Å²	47	62.6 Å²	62.6	29%	0.285	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	129.2	176.7	-177.3	0	0	0	0	108.8	V80 V107 I112 L130	V80-V110 HydrophobicContact CB-CG1 3.87Å; V80-V110 HydrophobicContact CG2-CG1 3.52Å; V107-V110 HydrophobicContact CG1-CG2 3.98Å; V110-I112 HydrophobicContact CG1-CD1 4.49Å; V110-I112 HydrophobicContact CG1-CG1 3.96Å; V110-L130 HydrophobicContact CB-CD2 4.4Å; V110-L130 HydrophobicContact CG1-CD2 3.97Å; V110-L130 HydrophobicContact CG2-CD2 4.04Å
111	Y	98.8	Very high	98.1	Very high	52 Å²	52	61.6 Å²	61.6	20%	0.204	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	94	177.4	-62.6	-97.2	0	0	0	109.2	W72 Q109 A128 L129 R131 I268	W72-Y111 HydrophobicContact CH2-CD2 4.07Å; W72-Y111 AromaticContact CH2-CE2 3.58Å; W72-Y111 HydrophobicContact CH2-CE2 3.58Å; W72-Y111 AromaticContact CZ3-CD2 3.72Å; W72-Y111 HydrophobicContact CZ3-CD2 3.72Å; W72-Y111 AromaticContact CZ3-CE2 3.68Å; W72-Y111 HydrophobicContact CZ3-CE2 3.68Å; Q109-Y111 HydrophobicContact CB-CE2 3.81Å; Q109-Y111 HydrophobicContact CG-CD2 4.18Å; Q109-Y111 HydrophobicContact CG-CE1 4.49Å; Q109-Y111 HydrophobicContact CG-CE2 3.57Å; Q109-Y111 PolarHBondContact NE2-OH 2.88Å; Q109-Y111 PolarHBondContact OE1-OH 2.87Å; Y111-A128 CarbonylContact O-C 3.55Å; Y111-A128 WeakPolarHBondContact O-CA 3.3Å; Y111-L129 PolarHBondContact N-O 2.93Å; Y111-L129 PolarHBondContact O-N 2.83Å; Y111-R131 HydrophobicContact CE2-CB 4.13Å; Y111-I268 HydrophobicContact CD1-CD1 4.14Å; Y111-I268 HydrophobicContact CD1-CG2 3.62Å; Y111-I268 HydrophobicContact CD2-CG2 4.04Å; Y111-I268 HydrophobicContact CE1-CG2 3.97Å; Y111-I268 HydrophobicContact CE2-CG2 4.39Å; Y111-I268 HydrophobicContact CG-CG2 3.64Å
112	I	98.8	Very high	98.2	Very high	58 Å²	58	58.6 Å²	58.6	30%	0.297	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	139.7	174.9	-63.9	174.8	0	0	0	109	A77 V80 D81 V110 W116 A128	A77-I112 HydrophobicContact CB-CG2 3.86Å; V80-I112 HydrophobicContact CG2-CD1 4.38Å; V80-I112 HydrophobicContact CG2-CG1 4.14Å; D81-I112 HydrophobicContact CB-CD1 4.21Å; V110-I112 HydrophobicContact CG1-CD1 4.49Å; V110-I112 HydrophobicContact CG1-CG1 3.96Å; I112-W116 HydrophobicContact CG2-CB 3.62Å; I112-W116 HydrophobicContact CG2-CG 3.9Å; I112-A128 HydrophobicContact CG1-CB 4.22Å
113	H	98.8	Very high	98.2	Very high	17 Å²	17	58.7 Å²	58.7	8%	0.079	33%	0.331	C	S	.	.			trans	-57.2	129.8	173.7	-170.7	-73.3	0	0	0	110.3	N115 W116 Y125 I127 Y261 W264	H113-N115 PolarHBondContact ND1-N 2.81Å; H113-N115 PolarHBondContact O-N 2.85Å; H113-W116 WeakPolarHBondContact O-CB 3.34Å; H113-W116 PolarHBondContact O-N 3.2Å; H113-Y125 AromaticContact CE1-CD1 3.21Å; H113-Y125 WeakPolarHBondContact CE1-CD1 3.22Å; H113-Y125 AromaticContact CE1-CE1 3.72Å; H113-Y125 AromaticContact ND1-CD1 3.37Å; H113-Y125 WeakPolarHBondContact ND1-CD1 3.43Å; H113-Y125 AromaticContact ND1-CG 3.86Å; H113-Y125 AromaticContact NE2-CD1 3.83Å; H113-I127 HydrophobicContact CB-CG2 3.79Å; H113-I127 WeakPolarHBondContact CB-O 3.39Å; H113-I127 PolarHBondContact N-O 2.91Å; H113-I127 VanDerWaalsContact N-O 3.08Å; H113-Y261 AromaticContact CD2-CD1 3.64Å; H113-Y261 AromaticContact CD2-CE1 3.68Å; H113-Y261 AromaticContact NE2-CD1 3.89Å; H113-Y261 AromaticContact NE2-CE1 3.74Å; H113-W264 HydrophobicContact CB-CH2 4.35Å; H113-W264 HydrophobicContact CB-CZ2 3.96Å; H113-W264 AromaticContact CD2-CD1 3.76Å; H113-W264 AromaticContact CD2-CD2 3.55Å; H113-W264 AromaticContact CD2-CE2 3.66Å; H113-W264 AromaticContact CD2-CG 3.64Å; H113-W264 AromaticContact CD2-NE1 3.76Å; H113-W264 AromaticContact NE2-CD1 4Å; H113-W264 AromaticContact NE2-CG 4Å
114	P	98.4	Very high	98.2	Very high	102 Å²	102	57.1 Å²	57.1	66%	0.662	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-23.7	-169	23.3	-35.4	0	0	0	114.6
115	N	98.6	Very high	98.2	Very high	94 Å²	94	56.6 Å²	56.6	50%	0.503	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	2.5	176.6	-61.8	-12.5	0	0	0	113.9	H113 N117 Y125	H113-N115 PolarHBondContact ND1-N 2.81Å; H113-N115 PolarHBondContact O-N 2.85Å; N115-N117 PolarHBondContact O-N 2.9Å; N115-Y125 HydrophobicContact CB-CD1 3.67Å; N115-Y125 HydrophobicContact CB-CD2 3.64Å; N115-Y125 HydrophobicContact CB-CE1 3.86Å; N115-Y125 HydrophobicContact CB-CE2 3.85Å; N115-Y125 HydrophobicContact CB-CG 3.54Å
116	W	98.7	Very high	98.2	Very high	31 Å²	31	55.8 Å²	55.8	12%	0.117	32%	0.318	C	S	.	.			trans	-61	135	173.4	172.2	-117.8	0	0	0	110.3	A77 H78 D81 I112 H113 V121 D126	A77-W116 HydrophobicContact CB-CB 4.07Å; A77-W116 HydrophobicContact CB-CD2 3.52Å; A77-W116 HydrophobicContact CB-CE3 4.1Å; A77-W116 HydrophobicContact CB-CG 3.49Å; A77-W116 VanDerWaalsContact CB-CG 3.49Å; H78-W116 HydrophobicContact CB-CH2 3.8Å; H78-W116 HydrophobicContact CB-CZ2 3.44Å; H78-W116 VanDerWaalsContact CB-CZ2 3.44Å; D81-W116 PolarHBondContact OD2-NE1 3.36Å; I112-W116 HydrophobicContact CG2-CB 3.62Å; I112-W116 HydrophobicContact CG2-CG 3.9Å; H113-W116 WeakPolarHBondContact O-CB 3.34Å; H113-W116 PolarHBondContact O-N 3.2Å; W116-V121 HydrophobicContact CH2-CB 4.26Å; W116-V121 HydrophobicContact CH2-CG1 4.19Å; W116-V121 HydrophobicContact CH2-CG2 3.84Å; W116-V121 HydrophobicContact CZ3-CG1 4.38Å; W116-D126 HydrophobicContact CE3-CB 3.9Å; W116-D126 HydrophobicContact CH2-CB 4.09Å; W116-D126 HydrophobicContact CZ3-CB 3.42Å; W116-D126 VanDerWaalsContact CZ3-CB 3.42Å
117	N	98.1	Very high	98.2	Very high	74 Å²	74	54.3 Å²	54.3	40%	0.396	30%	0.303	S	S	.	.			trans	-132.3	110	173.5	-179.4	-6.5	0	0	0	109	N115 N119 N120	N115-N117 PolarHBondContact O-N 2.9Å; N117-N119 PolarHBondContact O-N 3.05Å; N117-N119 VanDerWaalsContact O-N 3.09Å; N117-N119 WeakPolarHBondContact OD1-CB 3.28Å; N117-N119 PolarHBondContact OD1-N 3.46Å; N117-N120 HydrophobicContact CB-CB 4.31Å; N117-N120 CarbonylContact O-C 3.56Å; N117-N120 VanDerWaalsContact O-C 3.31Å; N117-N120 PolarHBondContact O-N 2.89Å
118	T	97.1	Very high	98.2	Very high	77 Å²	77	53.2 Å²	53.2	47%	0.472	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-27.1	-179.8	-163.9	0	0	0	0	113.1	D81 N120	D81-T118 VanDerWaalsContact OD2-CB 3.3Å; D81-T118 WeakPolarHBondContact OD2-CB 3.38Å; D81-T118 PolarHBondContact OD2-OG1 3.14Å; T118-N120 VanDerWaalsContact C-N 3.32Å
119	N	96.9	Very high	98.3	Very high	148 Å²	148	50 Å²	50	79%	0.791	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-0.3	177.7	-59.7	-51.6	0	0	0	113.3	N117	N117-N119 PolarHBondContact O-N 3.05Å; N117-N119 VanDerWaalsContact O-N 3.09Å; N117-N119 WeakPolarHBondContact OD1-CB 3.28Å; N117-N119 PolarHBondContact OD1-N 3.46Å
120	N	97.1	Very high	98.3	Very high	78 Å²	78	45.9 Å²	45.9	42%	0.417	25%	0.254	S	S	.	.			trans	-149.1	68.3	-177.3	-174.7	19.5	0	0	0	112.4	N117 T118 A122 G123	N117-N120 HydrophobicContact CB-CB 4.31Å; N117-N120 CarbonylContact O-C 3.56Å; N117-N120 VanDerWaalsContact O-C 3.31Å; N117-N120 PolarHBondContact O-N 2.89Å; T118-N120 VanDerWaalsContact C-N 3.32Å; N120-A122 PolarHBondContact O-N 2.78Å; N120-G123 WeakPolarHBondContact O-CA 3.07Å; N120-G123 PolarHBondContact O-N 2.68Å; N120-G123 PolarHBondContact OD1-N 3.4Å; N120-G123 VanDerWaalsContact OD1-N 3.17Å
121	V	97.3	Very high	98.3	Very high	46 Å²	46	49.5 Å²	49.5	28%	0.279	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-55.7	-35.8	175	-172	0	0	0	0	112	W116 G123 G124 F240	W116-V121 HydrophobicContact CH2-CB 4.26Å; W116-V121 HydrophobicContact CH2-CG1 4.19Å; W116-V121 HydrophobicContact CH2-CG2 3.84Å; W116-V121 HydrophobicContact CZ3-CG1 4.38Å; V121-G123 PolarHBondContact O-N 3Å; V121-G123 VanDerWaalsContact O-N 3.13Å; V121-G124 PolarHBondContact O-N 3.02Å; V121-F240 HydrophobicContact CG1-CB 4.32Å; V121-F240 HydrophobicContact CG1-CD1 3.63Å; V121-F240 HydrophobicContact CG1-CE1 4.33Å; V121-F240 HydrophobicContact CG1-CG 4.29Å
122	A	97.5	Very high	98.3	Very high	29 Å²	29	47.3 Å²	47.3	24%	0.24	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-65	-14.7	176.9	0	0	0	0	0	113.9	N120 G124 T200 K202	N120-A122 PolarHBondContact O-N 2.78Å; A122-G124 PolarHBondContact O-N 3.04Å; A122-T200 HydrophobicContact CB-CG2 3.85Å; A122-K202 WeakPolarHBondContact O-CE 3.49Å; A122-K202 PolarHBondContact O-NZ 2.84Å
123	G	97.6	Very high	98.3	Very high	24 Å²	24	48 Å²	48	25%	0.247	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-70.9	-14	170.3	0	0	0	0	0	113.6	N120 V121 Y125	N120-G123 WeakPolarHBondContact O-CA 3.07Å; N120-G123 PolarHBondContact O-N 2.68Å; N120-G123 PolarHBondContact OD1-N 3.4Å; N120-G123 VanDerWaalsContact OD1-N 3.17Å; V121-G123 PolarHBondContact O-N 3Å; V121-G123 VanDerWaalsContact O-N 3.13Å; G123-Y125 WeakPolarHBondContact O-CD2 3.5Å
124	G	98.4	Very high	98.3	Very high	2 Å²	2	51.1 Å²	51.1	2%	0.021	29%	0.285	C	S	.	.			trans	80.3	-153.4	-176.4	0	0	0	0	0	112.4	V121 A122 D126 M205	V121-G124 PolarHBondContact O-N 3.02Å; A122-G124 PolarHBondContact O-N 3.04Å; G124-D126 PolarHBondContact O-N 3.4Å; G124-M205 VanDerWaalsContact CA-CE 3.47Å
125	Y	98.8	Very high	98.3	Very high	85 Å²	85	50.9 Å²	50.9	33%	0.333	28%	0.278	S	S	.	.			trans	60.6	20.6	-176.5	-50.2	-78.3	0	0	0	114.2	H113 N115 G123 I127 Y261	H113-Y125 AromaticContact CE1-CD1 3.21Å; H113-Y125 WeakPolarHBondContact CE1-CD1 3.22Å; H113-Y125 AromaticContact CE1-CE1 3.72Å; H113-Y125 AromaticContact ND1-CD1 3.37Å; H113-Y125 WeakPolarHBondContact ND1-CD1 3.43Å; H113-Y125 AromaticContact ND1-CG 3.86Å; H113-Y125 AromaticContact NE2-CD1 3.83Å; N115-Y125 HydrophobicContact CB-CD1 3.67Å; N115-Y125 HydrophobicContact CB-CD2 3.64Å; N115-Y125 HydrophobicContact CB-CE1 3.86Å; N115-Y125 HydrophobicContact CB-CE2 3.85Å; N115-Y125 HydrophobicContact CB-CG 3.54Å; G123-Y125 WeakPolarHBondContact O-CD2 3.5Å; Y125-I127 PolarHBondContact O-N 3.28Å; Y125-Y261 WeakPolarHBondContact CA-OH 3.44Å; Y125-Y261 AromaticContact CD1-CE1 3.81Å; Y125-Y261 HydrophobicContact CD1-CE1 3.81Å; Y125-Y261 WeakPolarHBondContact CD1-OH 3.42Å; Y125-Y261 HydrophobicContact CE1-CE1 4.42Å; Y125-Y261 PolarHBondContact N-OH 2.9Å
126	D	98.9	Very high	98.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.254	C	S	.	.			trans	-79.6	70	178.2	-167.6	11.9	0	0	0	110.5	A77 H78 W116 G124 S239 T256	A77-D126 WeakPolarHBondContact CA-OD1 3.46Å; A77-D126 PolarHBondContact N-OD1 3.17Å; H78-D126 IonicContact CE1-OD2 3.44Å; H78-D126 PolarHBondContact CE1-OD2 3.1Å; H78-D126 IonicContact CG-OD1 3.83Å; H78-D126 IonicContact CG-OD2 3.87Å; H78-D126 PolarHBondContact N-OD1 3.39Å; H78-D126 VanDerWaalsContact ND1-CG 3.32Å; H78-D126 IonicContact ND1-OD1 3.17Å; H78-D126 PolarHBondContact ND1-OD1 3.15Å; H78-D126 VanDerWaalsContact ND1-OD1 3.17Å; H78-D126 IonicContact ND1-OD2 2.73Å; H78-D126 PolarHBondContact ND1-OD2 3.34Å; W116-D126 HydrophobicContact CE3-CB 3.9Å; W116-D126 HydrophobicContact CH2-CB 4.09Å; W116-D126 HydrophobicContact CZ3-CB 3.42Å; W116-D126 VanDerWaalsContact CZ3-CB 3.42Å; G124-D126 PolarHBondContact O-N 3.4Å; D126-S239 WeakPolarHBondContact CB-OG 3.43Å; D126-S239 WeakPolarHBondContact OD2-CA 3.31Å; D126-S239 VanDerWaalsContact OD2-CB 3.31Å; D126-S239 WeakPolarHBondContact OD2-CB 3.29Å; D126-S239 PolarHBondContact OD2-OG 2.83Å; D126-T256 WeakPolarHBondContact O-CB 3.49Å; D126-T256 PolarHBondContact O-OG1 2.9Å
127	I	98.9	Very high	98.3	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.275	C	S	.	.			trans	-148.4	139.4	180	-166.7	171.6	0	0	0	110.4	M74 T75 H113 Y125 T256 Y261 W264 M265	M74-I127 HydrophobicContact CG-CD1 4.2Å; M74-I127 HydrophobicContact CG-CG1 4.26Å; M74-I127 HydrophobicContact SD-CD1 4.01Å; T75-I127 WeakPolarHBondContact O-CA 3.44Å; H113-I127 HydrophobicContact CB-CG2 3.79Å; H113-I127 WeakPolarHBondContact CB-O 3.39Å; H113-I127 PolarHBondContact N-O 2.91Å; H113-I127 VanDerWaalsContact N-O 3.08Å; Y125-I127 PolarHBondContact O-N 3.28Å; I127-T256 HydrophobicContact CB-CG2 4.14Å; I127-Y261 HydrophobicContact CD1-CD2 4.37Å; I127-Y261 HydrophobicContact CD1-CG 4.12Å; I127-Y261 HydrophobicContact CG2-CD1 3.79Å; I127-Y261 HydrophobicContact CG2-CD2 4.48Å; I127-Y261 HydrophobicContact CG2-CE1 4.03Å; I127-Y261 HydrophobicContact CG2-CG 4.04Å; I127-W264 HydrophobicContact CB-CZ3 4.39Å; I127-W264 HydrophobicContact CD1-CZ3 4.03Å; I127-W264 HydrophobicContact CG1-CZ3 3.92Å; I127-W264 HydrophobicContact CG2-CE3 4.18Å; I127-W264 HydrophobicContact CG2-CH2 4.15Å; I127-W264 HydrophobicContact CG2-CZ3 3.74Å; I127-M265 HydrophobicContact CD1-SD 4.06Å
128	A	98.9	Very high	98.3	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	152.9	174.6	0	0	0	0	0	110.9	T75 V80 Y111 I112	T75-A128 HydrophobicContact CG2-CB 4.29Å; T75-A128 PolarHBondContact N-O 2.59Å; T75-A128 PolarHBondContact O-N 3.34Å; V80-A128 HydrophobicContact CG2-CB 3.67Å; Y111-A128 CarbonylContact O-C 3.55Å; Y111-A128 WeakPolarHBondContact O-CA 3.3Å; I112-A128 HydrophobicContact CG1-CB 4.22Å
129	L	98.9	Very high	98.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	137.6	169	-65.3	-177.2	0	0	0	110.3	I68 W72 V73 M74 Y111 W264 M265 I268 M269	I68-L129 HydrophobicContact CD1-CD2 3.64Å; W72-L129 HydrophobicContact CE3-CB 4.07Å; W72-L129 HydrophobicContact CE3-CD1 4.47Å; W72-L129 HydrophobicContact CZ3-CB 4.06Å; W72-L129 HydrophobicContact CZ3-CD1 4.49Å; V73-L129 CarbonylContact O-C 3.57Å; V73-L129 WeakPolarHBondContact O-CA 3.36Å; M74-L129 HydrophobicContact CB-CD2 4.06Å; M74-L129 HydrophobicContact CG-CD2 4.42Å; Y111-L129 PolarHBondContact N-O 2.93Å; Y111-L129 PolarHBondContact O-N 2.83Å; L129-W264 HydrophobicContact CD1-CH2 4.46Å; L129-W264 HydrophobicContact CD1-CZ3 4.4Å; L129-W264 HydrophobicContact CG-CH2 3.89Å; L129-W264 HydrophobicContact CG-CZ3 3.97Å; L129-M265 HydrophobicContact CD1-CB 4.01Å; L129-M265 HydrophobicContact CD1-CG 4.04Å; L129-M265 HydrophobicContact CD2-CG 4.09Å; L129-M265 HydrophobicContact CD2-SD 3.95Å; L129-M265 HydrophobicContact CG-CG 4.28Å; L129-I268 HydrophobicContact CD1-CB 3.93Å; L129-I268 HydrophobicContact CD1-CG2 3.9Å; L129-M269 HydrophobicContact CD1-CG 3.97Å; L129-M269 HydrophobicContact CD1-SD 4.49Å
130	L	98.9	Very high	98.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	124.4	175.5	-44.1	179.8	0	0	0	108.3	L51 W72 V73 T75 V80 V88 V107 V110	L51-L130 HydrophobicContact CD1-CD1 3.76Å; L51-L130 HydrophobicContact CD2-CD1 4.37Å; W72-L130 WeakPolarHBondContact CA-O 3.43Å; V73-L130 HydrophobicContact CB-CB 4.18Å; V73-L130 HydrophobicContact CB-CD1 4.37Å; V73-L130 HydrophobicContact CB-CG 4.47Å; V73-L130 HydrophobicContact CG1-CD1 4.06Å; V73-L130 HydrophobicContact CG1-CG 4.45Å; V73-L130 PolarHBondContact N-O 2.85Å; V73-L130 PolarHBondContact O-N 3.1Å; T75-L130 HydrophobicContact CG2-CD1 3.94Å; T75-L130 HydrophobicContact CG2-CD2 4.03Å; T75-L130 HydrophobicContact CG2-CG 3.94Å; V80-L130 HydrophobicContact CG1-CD2 4.02Å; V80-L130 HydrophobicContact CG2-CD2 4.39Å; V88-L130 HydrophobicContact CG2-CD1 4.16Å; V107-L130 HydrophobicContact CG1-CB 3.94Å; V107-L130 HydrophobicContact CG1-CD2 4.42Å; V107-L130 HydrophobicContact CG2-CB 4.35Å; V107-L130 HydrophobicContact CG2-CD1 4.2Å; V110-L130 HydrophobicContact CB-CD2 4.4Å; V110-L130 HydrophobicContact CG1-CD2 3.97Å; V110-L130 HydrophobicContact CG2-CD2 4.04Å
131	R	98.8	Very high	98.3	Very high	122 Å²	122	44.1 Å²	44.1	46%	0.46	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	117.2	169.1	-172.7	-179.9	-177.7	179.1	2.6	108.9	G71 W72 S108 Q109 Y111	G71-R131 WeakPolarHBondContact O-CA 3.33Å; W72-R131 HydrophobicContact CE3-CB 4.23Å; W72-R131 HydrophobicContact CH2-CB 4.05Å; W72-R131 HydrophobicContact CH2-CG 4.35Å; W72-R131 HydrophobicContact CZ2-CB 4.39Å; W72-R131 HydrophobicContact CZ2-CG 4.2Å; W72-R131 HydrophobicContact CZ3-CB 3.96Å; S108-R131 PolarHBondContact N-O 3.45Å; S108-R131 PolarHBondContact OG-O 2.89Å; Q109-R131 HydrophobicContact CB-CB 4.19Å; Q109-R131 PolarHBondContact N-O 2.92Å; Q109-R131 PolarHBondContact O-N 2.87Å; Y111-R131 HydrophobicContact CE2-CB 4.13Å
132	L	98.8	Very high	98.4	Very high	7 Å²	7	41.9 Å²	41.9	4%	0.037	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	148.4	178.1	-54.3	-178	0	0	0	110.4	L67 G71 V73 V88 L105 G106 T134	L67-L132 HydrophobicContact CD1-CD1 4.08Å; G71-L132 PolarHBondContact O-N 3.46Å; V73-L132 HydrophobicContact CG2-CD1 4.25Å; V73-L132 HydrophobicContact CG2-CD2 4.04Å; V73-L132 HydrophobicContact CG2-CG 4.41Å; V88-L132 HydrophobicContact CB-CD2 3.93Å; V88-L132 HydrophobicContact CG1-CD2 4.36Å; V88-L132 HydrophobicContact CG2-CD2 3.75Å; L105-L132 HydrophobicContact CD1-CD1 3.82Å; G106-L132 CarbonylContact O-C 3.48Å; G106-L132 WeakPolarHBondContact O-CA 3.31Å; L132-T134 WeakPolarHBondContact CB-O 3.46Å; L132-T134 PolarHBondContact O-N 2.87Å
133	S	98.4	Very high	98.5	Very high	71 Å²	71	44.1 Å²	44.1	50%	0.497	24%	0.24	S	C	.	.	S	Bend	trans	-67.3	-26.5	178	-59.3	0	0	0	0	112.6	G106	G106-S133 PolarHBondContact O-N 3.15Å; G106-S133 PolarHBondContact O-OG 3.1Å
134	T	98.4	Very high	98.5	Very high	84 Å²	84	46 Å²	46	52%	0.515	25%	0.245	S	C	.	.	S	Bend	trans	-142.2	153.8	173.5	55.2	0	0	0	0	109.5	L132	L132-T134 WeakPolarHBondContact CB-O 3.46Å; L132-T134 PolarHBondContact O-N 2.87Å
135	D	98.6	Very high	98.5	Very high	97 Å²	97	46.2 Å²	46.2	52%	0.519	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-67.3	138.3	176	-81.6	-6.5	0	0	0	112	R70 G71	R70-D135 HydrophobicContact CB-CB 3.97Å; G71-D135 VanDerWaalsContact CA-OD1 3.25Å; G71-D135 WeakPolarHBondContact CA-OD1 3.41Å; G71-D135 PolarHBondContact N-OD1 3.44Å
136	A	98.7	Very high	98.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-63.4	145.9	167.9	0	0	0	0	0	111.6	L67 R70 L90 L105 V142	L67-A136 HydrophobicContact CD1-CB 4.35Å; L67-A136 HydrophobicContact CD2-CB 4.01Å; R70-A136 PolarHBondContact NE-O 2.96Å; R70-A136 PolarHBondContact NH2-O 3.46Å; R70-A136 WeakPolarHBondContact O-CB 3.34Å; R70-A136 PolarHBondContact O-N 3.04Å; L90-A136 HydrophobicContact CD1-CB 3.79Å; L105-A136 HydrophobicContact CD1-CB 3.98Å; A136-V142 HydrophobicContact CB-CG1 4.36Å
137	V	98.7	Very high	98.5	Very high	91 Å²	91	47.1 Å²	47.1	55%	0.552	26%	0.259	S	S	*	.	P	Polyproline II helix	trans	-92.4	116.9	170.5	-177.8	0	0	0	0	108.1	Q103	Q103-V137 PolarHBondContact NE2-O 3.19Å
138	L	98.8	Very high	98.5	Very high	68 Å²	68	47.2 Å²	47.2	36%	0.356	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-73.1	142.7	-179.6	-56.4	-176.9	0	0	0	111	L67 R70 V142 L144	L67-L138 HydrophobicContact CD2-CD2 4.12Å; R70-L138 HydrophobicContact CG-CD1 4.35Å; R70-L138 HydrophobicContact CG-CD2 4.31Å; R70-L138 HydrophobicContact CG-CG 4.25Å; L138-V142 CarbonylContact C-O 3.54Å; L138-V142 VanDerWaalsContact CA-O 3.3Å; L138-V142 WeakPolarHBondContact CA-O 3.42Å; L138-V142 HydrophobicContact CD2-CG1 4.34Å; L138-L144 HydrophobicContact CD1-CG 4.31Å; L138-L144 HydrophobicContact CD2-CD2 3.96Å; L138-L144 HydrophobicContact CD2-CG 4.26Å
139	S	98.1	Very high	98.5	Very high	42 Å²	42	51.6 Å²	51.6	29%	0.294	29%	0.288	S	S	.	.	B	Isolated β-bridge	trans	-156.8	-177.8	-177.4	75.4	0	0	0	0	110.1	S141 V142 Q143	S139-S141 PolarHBondContact O-N 2.8Å; S139-S141 PolarHBondContact OG-N 3.18Å; S139-S141 VanDerWaalsContact OG-N 3.12Å; S139-S141 PolarHBondContact OG-OG 3.19Å; S139-V142 PolarHBondContact N-O 2.84Å; S139-V142 CarbonylContact O-C 3.42Å; S139-V142 PolarHBondContact O-N 2.97Å; S139-V142 PolarHBondContact OG-N 2.03Å; S139-V142 VanDerWaalsContact OG-N 3.16Å; S139-Q143 PolarHBondContact O-NE2 2.92Å
140	N	96.6	Very high	98.4	Very high	147 Å²	147	55.5 Å²	55.5	79%	0.786	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-21.8	173.6	-66.3	-15	0	0	0	113.3
141	S	97.4	Very high	98.4	Very high	11 Å²	11	57.7 Å²	57.7	8%	0.077	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-11.7	176.5	58.6	0	0	0	0	113.6	N43 G91 S139	N43-S141 WeakPolarHBondContact OD1-CB 3.16Å; G91-S141 WeakPolarHBondContact CA-O 3.38Å; S139-S141 PolarHBondContact O-N 2.8Å; S139-S141 PolarHBondContact OG-N 3.18Å; S139-S141 VanDerWaalsContact OG-N 3.12Å; S139-S141 PolarHBondContact OG-OG 3.19Å
142	V	98.7	Very high	98.4	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-134.1	107.2	-176.9	-178.5	0	0	0	0	110.2	P46 L67 L90 A136 L138 S139	P46-V142 WeakPolarHBondContact O-CA 3.19Å; L67-V142 HydrophobicContact CD2-CG1 3.92Å; L90-V142 HydrophobicContact CB-CG1 4.19Å; L90-V142 HydrophobicContact CB-CG2 3.92Å; L90-V142 HydrophobicContact CD2-CG1 3.95Å; A136-V142 HydrophobicContact CB-CG1 4.36Å; L138-V142 CarbonylContact C-O 3.54Å; L138-V142 VanDerWaalsContact CA-O 3.3Å; L138-V142 WeakPolarHBondContact CA-O 3.42Å; L138-V142 HydrophobicContact CD2-CG1 4.34Å; S139-V142 PolarHBondContact N-O 2.84Å; S139-V142 CarbonylContact O-C 3.42Å; S139-V142 PolarHBondContact O-N 2.97Å; S139-V142 PolarHBondContact OG-N 2.03Å; S139-V142 VanDerWaalsContact OG-N 3.16Å
143	Q	98.8	Very high	98.4	Very high	76 Å²	76	59.1 Å²	59.1	36%	0.355	36%	0.356	S	S	.	.			trans	-133.7	165.2	-179.9	-68	-69.8	-32.7	0	0	110.9	P46 W47 S139	P46-Q143 HydrophobicContact CB-CB 3.88Å; P46-Q143 HydrophobicContact CB-CG 3.93Å; P46-Q143 HydrophobicContact CG-CB 3.73Å; P46-Q143 HydrophobicContact CG-CG 3.85Å; P46-Q143 PolarHBondContact O-N 3.49Å; W47-Q143 VanDerWaalsContact CA-O 3.27Å; W47-Q143 WeakPolarHBondContact CA-O 3.39Å; W47-Q143 WeakPolarHBondContact CB-O 2.99Å; S139-Q143 PolarHBondContact O-NE2 2.92Å
144	L	98.8	Very high	98.4	Very high	64 Å²	64	56.6 Å²	56.6	34%	0.335	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-81.6	134.2	174.2	-54	-176.3	0	0	0	110.1	L67 L138	L67-L144 HydrophobicContact CD2-CD2 3.67Å; L67-L144 HydrophobicContact CG-CD2 3.82Å; L67-L144 CarbonylContact O-C 3.54Å; L67-L144 WeakPolarHBondContact O-CA 3.49Å; L138-L144 HydrophobicContact CD1-CG 4.31Å; L138-L144 HydrophobicContact CD2-CD2 3.96Å; L138-L144 HydrophobicContact CD2-CG 4.26Å
145	G	98.7	Very high	98.4	Very high	6 Å²	6	56 Å²	56	6%	0.062	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-70.5	132	171	0	0	0	0	0	110.1	W47 L67	W47-G145 VanDerWaalsContact CB-N 3.31Å; L67-G145 PolarHBondContact O-N 2.86Å
146	V	98.6	Very high	98.4	Very high	55 Å²	55	54.8 Å²	54.8	33%	0.333	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-79.2	127.5	177.3	179	0	0	0	0	109.1	V233 V234	V146-V233 HydrophobicContact CG1-CG1 4.46Å; V146-V233 HydrophobicContact CG1-CG2 4.14Å; V146-V233 WeakPolarHBondContact O-CG1 3.39Å; V146-V234 PolarHBondContact O-N 3.38Å
147	L	98.7	Very high	98.3	Very high	48 Å²	48	59.3 Å²	59.3	25%	0.251	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-96.6	146.3	-179.8	-56.9	-174	0	0	0	111	I68 M74 V234 V258 I262 M265	I68-L147 HydrophobicContact CB-CD1 4.3Å; I68-L147 HydrophobicContact CG2-CD1 4.2Å; I68-L147 HydrophobicContact CG2-CD2 3.79Å; I68-L147 HydrophobicContact CG2-CG 4.33Å; M74-L147 HydrophobicContact CE-CD2 4.01Å; L147-V234 HydrophobicContact CD2-CB 4.41Å; L147-V258 HydrophobicContact CD2-CG1 4.03Å; L147-I262 HydrophobicContact CB-CD1 4.07Å; L147-I262 HydrophobicContact CD1-CD1 4.39Å; L147-M265 HydrophobicContact CD1-CE 3.96Å
148	P	98.5	Very high	98.3	Very high	3 Å²	3	56.4 Å²	56.4	2%	0.019	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-70.3	154.1	178	29.5	-36.6	0	0	0	111.7	Q152 V233 V234 V258 I262	P148-Q152 HydrophobicContact CB-CB 4.41Å; P148-Q152 VanDerWaalsContact CB-OE1 3.23Å; P148-V233 HydrophobicContact CB-CG1 3.97Å; P148-V233 HydrophobicContact CG-CG1 4.47Å; P148-V234 WeakPolarHBondContact CD-O 3.07Å; P148-V258 HydrophobicContact CG-CB 4.13Å; P148-V258 HydrophobicContact CG-CG1 4.04Å; P148-I262 VanDerWaalsContact O-CD1 3.28Å; P148-I262 WeakPolarHBondContact O-CD1 3.09Å
149	P	98.1	Very high	98.3	Very high	91 Å²	91	55.5 Å²	55.5	59%	0.591	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-52.5	146.1	165	-26.6	35	0	0	0	112.3	G151 Q152 S259	P149-G151 PolarHBondContact O-N 2.95Å; P149-Q152 VanDerWaalsContact CD-OE1 3.31Å; P149-Q152 WeakPolarHBondContact O-CB 3.41Å; P149-Q152 PolarHBondContact O-N 3.42Å; P149-Q152 VanDerWaalsContact O-N 3.14Å; P149-S259 VanDerWaalsContact O-CB 3.29Å; P149-S259 WeakPolarHBondContact O-CB 3.43Å
150	S	98.5	Very high	98.3	Very high	83 Å²	83	53.5 Å²	53.5	58%	0.58	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	131.8	177.3	-169.5	0	0	0	0	110.9	Q152	S150-Q152 VanDerWaalsContact C-N 3.28Å; S150-Q152 PolarHBondContact O-N 3.12Å
151	G	98.3	Very high	98.4	Very high	45 Å²	45	49.2 Å²	49.2	46%	0.464	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	-4.8	178.7	0	0	0	0	0	116.2	P149 V153 S259	P149-G151 PolarHBondContact O-N 2.95Å; G151-V153 PolarHBondContact O-N 2.93Å; G151-S259 PolarHBondContact N-O 2.98Å
152	Q	98.5	Very high	98.5	Very high	54 Å²	54	48.7 Å²	48.7	25%	0.252	29%	0.291	S	S	.	.			trans	-59.7	130.4	-179.6	-169.5	-175.3	21.2	0	0	112	P148 P149 S150 H235 S259	P148-Q152 HydrophobicContact CB-CB 4.41Å; P148-Q152 VanDerWaalsContact CB-OE1 3.23Å; P149-Q152 VanDerWaalsContact CD-OE1 3.31Å; P149-Q152 WeakPolarHBondContact O-CB 3.41Å; P149-Q152 PolarHBondContact O-N 3.42Å; P149-Q152 VanDerWaalsContact O-N 3.14Å; S150-Q152 VanDerWaalsContact C-N 3.28Å; S150-Q152 PolarHBondContact O-N 3.12Å; Q152-H235 PolarHBondContact OE1-CE1 2.98Å; Q152-H235 PolarHBondContact OE1-NE2 3.47Å; Q152-S259 WeakPolarHBondContact O-CB 3.27Å; Q152-S259 PolarHBondContact O-OG 3.13Å
153	V	98.4	Very high	98.4	Very high	105 Å²	105	48.7 Å²	48.7	64%	0.636	29%	0.291	S	S	*	.			trans	-116.1	132.8	174.1	-179.6	0	0	0	0	108.4	G151	G151-V153 PolarHBondContact O-N 2.93Å
154	L	98.4	Very high	98.4	Very high	19 Å²	19	45.1 Å²	45.1	10%	0.099	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-82.7	146.9	177.6	-66.4	177.2	0	0	0	110.8	N158 V185 C226 V228 H235	L154-N158 HydrophobicContact CB-CB 4.15Å; L154-V185 HydrophobicContact CB-CG1 4.37Å; L154-V185 HydrophobicContact CB-CG2 4.14Å; L154-V185 HydrophobicContact CD1-CG2 3.83Å; L154-C226 HydrophobicContact CD1-CB 3.6Å; L154-C226 WeakPolarHBondContact CD1-SG 3.16Å; L154-V228 HydrophobicContact CD2-CG2 3.94Å; L154-H235 HydrophobicContact CD1-CB 3.91Å; L154-H235 VanDerWaalsContact CD2-CE1 3.46Å; L154-H235 WeakPolarHBondContact CD2-CE1 2.97Å
155	A	98.1	Very high	98.3	Very high	70 Å²	70	42.1 Å²	42.1	58%	0.579	26%	0.259	S	S	*	.	P	Polyproline II helix	trans	-69.2	155.9	172	0	0	0	0	0	111.2	N158	A155-N158 VanDerWaalsContact O-CB 3.28Å; A155-N158 WeakPolarHBondContact O-CB 3.26Å; A155-N158 PolarHBondContact O-N 3.5Å
156	H	98.3	Very high	97.7	Very high	73 Å²	73	41.9 Å²	41.9	34%	0.338	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	144	168.6	-171.8	40.1	0	0	0	110.8	N158 V185 D187	H156-N158 PolarHBondContact O-N 3.23Å; H156-V185 PolarHBondContact ND1-O 2.78Å; H156-D187 HydrophobicContact CB-CB 3.91Å
157	N	98.2	Very high	97.2	Very high	94 Å²	94	43.7 Å²	43.7	50%	0.503	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	14.5	-176.4	-60.8	-36.9	0	0	0	115.3	V185	N157-V185 PolarHBondContact N-O 3.1Å
158	N	98.6	Very high	96.2	Very high	31 Å²	31	42.7 Å²	42.7	17%	0.166	25%	0.252	C	S	.	.			trans	-57.9	130.9	169.3	-176.4	-81.5	0	0	0	109.4	L154 A155 H156 C160 P184 V185 S227	L154-N158 HydrophobicContact CB-CB 4.15Å; A155-N158 VanDerWaalsContact O-CB 3.28Å; A155-N158 WeakPolarHBondContact O-CB 3.26Å; A155-N158 PolarHBondContact O-N 3.5Å; H156-N158 PolarHBondContact O-N 3.23Å; N158-C160 PolarHBondContact O-N 3.06Å; N158-P184 WeakPolarHBondContact O-CA 3Å; N158-V185 HydrophobicContact CB-CB 4.21Å; N158-V185 HydrophobicContact CB-CG2 3.97Å; N158-V185 PolarHBondContact O-N 3.44Å; N158-S227 PolarHBondContact ND2-O 2.97Å
159	P	98.3	Very high	95	Very high	49 Å²	49	48.2 Å²	48.2	32%	0.318	28%	0.278	S	S	.	.			trans	-74.9	123.1	-173.1	28.5	-34.1	0	0	0	111	Y182 S227	P159-Y182 HydrophobicContact CB-CE2 3.74Å; P159-S227 PolarHBondContact O-N 3.06Å
160	C	98.5	Very high	94	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	161.6	176.1	-47.2	0	0	0	0	112	N158 Y182 L183 V185 L224 N225 C226	N158-C160 PolarHBondContact O-N 3.06Å; C160-Y182 WeakPolarHBondContact O-CD2 3.23Å; C160-L183 WeakPolarHBondContact CB-O 2.86Å; C160-L183 CarbonylContact O-C 3.47Å; C160-L183 PolarHBondContact O-N 3.18Å; C160-V185 WeakPolarHBondContact SG-CG2 3.34Å; C160-L224 HydrophobicContact CB-CD1 3.61Å; C160-L224 HydrophobicContact CB-CD2 4.46Å; C160-L224 HydrophobicContact CB-CG 3.91Å; C160-N225 CarbonylContact C-O 3.59Å; C160-N225 WeakPolarHBondContact CA-O 3.42Å; C160-N225 VanDerWaalsContact CB-O 3.32Å; C160-N225 WeakPolarHBondContact CB-O 3.36Å; C160-C226 HydrophobicContact CB-CB 3.99Å; C160-C226 WeakPolarHBondContact CB-SG 3.49Å; C160-C226 VanDerWaalsContact SG-CA 3.52Å; C160-C226 WeakPolarHBondContact SG-CB 3.37Å; C160-C226 CovalentContact SG-SG 2.03Å; C160-C226 PolarHBondContact SG-SG 3.33Å
161	Y	98.5	Very high	93	Very high	57 Å²	57	46.1 Å²	46.1	22%	0.224	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	131.2	170.5	-78.5	-97	0	0	0	110.2	W45 Q180 A181 Y182 N225 W232	W45-Y161 HydrophobicContact CH2-CD2 4.44Å; W45-Y161 HydrophobicContact CH2-CG 4.37Å; W45-Y161 HydrophobicContact CZ2-CD2 4.46Å; W45-Y161 HydrophobicContact CZ2-CG 4.07Å; Y161-Q180 HydrophobicContact CD1-CB 4.05Å; Y161-Q180 HydrophobicContact CD1-CG 4.19Å; Y161-Q180 HydrophobicContact CE1-CG 4.41Å; Y161-A181 VanDerWaalsContact CA-O 3.27Å; Y161-A181 WeakPolarHBondContact CA-O 3.43Å; Y161-Y182 HydrophobicContact CD2-CD2 4.39Å; Y161-Y182 AromaticContact CE2-CD2 3.87Å; Y161-Y182 HydrophobicContact CE2-CD2 3.87Å; Y161-N225 PolarHBondContact N-O 2.89Å; Y161-N225 PolarHBondContact O-N 3.12Å; Y161-N225 PolarHBondContact O-ND2 3.48Å; Y161-W232 AromaticContact CD2-CH2 3.6Å; Y161-W232 HydrophobicContact CD2-CH2 3.6Å; Y161-W232 HydrophobicContact CD2-CZ2 4.23Å; Y161-W232 HydrophobicContact CD2-CZ3 4.09Å; Y161-W232 AromaticContact CE2-CH2 3.88Å; Y161-W232 HydrophobicContact CE2-CH2 3.88Å; Y161-W232 HydrophobicContact CE2-CZ2 4.37Å
162	I	98.1	Very high	92.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	146.8	159.6	-169.3	176.1	0	0	0	108.8	V34 Q180 A181 L183 G215 D219 T238 T253 F255	V34-I162 HydrophobicContact CG1-CG2 4.33Å; I162-Q180 VanDerWaalsContact O-CA 3.26Å; I162-Q180 WeakPolarHBondContact O-CA 3.22Å; I162-A181 HydrophobicContact CG2-CB 3.91Å; I162-A181 PolarHBondContact N-O 3.47Å; I162-A181 PolarHBondContact O-N 2.97Å; I162-L183 HydrophobicContact CB-CD1 3.77Å; I162-L183 HydrophobicContact CB-CG 4.48Å; I162-L183 HydrophobicContact CG2-CD1 3.45Å; I162-L183 VanDerWaalsContact CG2-CD1 3.45Å; I162-L183 HydrophobicContact CG2-CG 3.93Å; I162-G215 VanDerWaalsContact CD1-CA 3.43Å; I162-D219 HydrophobicContact CD1-CB 4.12Å; I162-T238 HydrophobicContact CD1-CG2 4.26Å; I162-T253 HydrophobicContact CD1-CG2 4.47Å; I162-F255 HydrophobicContact CB-CZ 4.41Å; I162-F255 HydrophobicContact CD1-CE1 3.9Å; I162-F255 HydrophobicContact CD1-CZ 3.94Å; I162-F255 HydrophobicContact CG1-CE1 4.12Å; I162-F255 HydrophobicContact CG1-CZ 4.31Å
163	T	98.3	Very high	91.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	144.5	174.1	55.3	0	0	0	0	111.4	W45 Q48 K179 Q180 P223 N225	W45-T163 HydrophobicContact CB-CG2 4.35Å; W45-T163 HydrophobicContact CD2-CG2 3.7Å; W45-T163 HydrophobicContact CG-CG2 3.55Å; W45-T163 HydrophobicContact CZ2-CG2 4.34Å; Q48-T163 PolarHBondContact OE1-O 2.84Å; Q48-T163 PolarHBondContact OE1-OG1 3.19Å; T163-K179 VanDerWaalsContact CA-O 3.22Å; T163-K179 WeakPolarHBondContact CA-O 3.27Å; T163-Q180 HydrophobicContact CG2-CB 3.95Å; T163-P223 WeakPolarHBondContact OG1-CG 3.31Å; T163-N225 PolarHBondContact OG1-ND2 3.46Å
164	G	97.4	Very high	91	Very high	1 Å²	1	44 Å²	44	1%	0.01	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.4	-179.6	177.3	0	0	0	0	0	114.4	K179 D219	G164-K179 PolarHBondContact N-O 3.01Å; G164-K179 VanDerWaalsContact N-O 3.12Å; G164-K179 PolarHBondContact O-N 2.95Å; G164-D219 VanDerWaalsContact CA-OD1 3.27Å; G164-D219 WeakPolarHBondContact CA-OD1 3.47Å
165	W	96.5	Very high	90.6	Very high	1 Å²	1	43.1 Å²	43.1	0%	0.004	25%	0.254	C	S	.	.	S	Bend	trans	-109.3	13.9	177.6	-63.6	-90.7	0	0	0	112	Q48 I49 H61 D92 H93 I95 L174 S175 A176 Q177 L178 D219	Q48-W165 HydrophobicContact CG-CH2 3.59Å; Q48-W165 HydrophobicContact CG-CZ3 3.52Å; I49-W165 WeakPolarHBondContact O-CZ3 3.5Å; H61-W165 AromaticContact CE1-CE3 3.94Å; D92-W165 HydrophobicContact CB-CZ2 4.4Å; D92-W165 WeakPolarHBondContact O-CZ2 3.32Å; H93-W165 PolarHBondContact O-NE1 2.94Å; I95-W165 HydrophobicContact CD1-CB 4.13Å; I95-W165 HydrophobicContact CD1-CG 4.31Å; I95-W165 HydrophobicContact CG1-CG 4.47Å; I95-W165 HydrophobicContact CG2-CD2 3.76Å; I95-W165 HydrophobicContact CG2-CE3 4.46Å; I95-W165 HydrophobicContact CG2-CG 3.82Å; I95-W165 HydrophobicContact CG2-CZ2 4.12Å; W165-L174 WeakPolarHBondContact O-CB 3.33Å; W165-L174 WeakPolarHBondContact O-CD2 3.39Å; W165-S175 PolarHBondContact O-N 3.23Å; W165-A176 PolarHBondContact NE1-O 2.93Å; W165-Q177 VanDerWaalsContact CD1-C 3.46Å; W165-L178 HydrophobicContact CD2-CD1 3.93Å; W165-L178 HydrophobicContact CE3-CD1 4.04Å; W165-L178 HydrophobicContact CH2-CD1 3.94Å; W165-L178 HydrophobicContact CZ2-CB 3.81Å; W165-L178 HydrophobicContact CZ2-CD1 3.8Å; W165-L178 HydrophobicContact CZ2-CD2 4.42Å; W165-L178 HydrophobicContact CZ2-CG 4.21Å; W165-L178 HydrophobicContact CZ3-CD1 4.04Å; W165-L178 VanDerWaalsContact NE1-CA 3.35Å; W165-L178 VanDerWaalsContact NE1-N 3.11Å; W165-D219 PolarHBondContact N-OD1 3.07Å
166	G	87.2	Confident	90.3	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.237	C	C	.	.			trans	-60	174.1	179.3	0	0	0	0	0	113	T168 Q217 D219	G166-T168 PolarHBondContact O-N 2.83Å; G166-Q217 CarbonylContact C-O 3.41Å; G166-Q217 WeakPolarHBondContact CA-O 3.1Å; G166-D219 VanDerWaalsContact CA-OD1 3.22Å; G166-D219 WeakPolarHBondContact CA-OD1 3.21Å; G166-D219 PolarHBondContact N-OD1 2.88Å
167	R	86.7	Confident	90.2	Very high	93 Å²	93	41.3 Å²	41.3	35%	0.351	24%	0.238	S	C	.	.	B	Isolated β-bridge	trans	-59.9	140.1	-173.9	-69	179.1	-179.8	-162.2	-5.5	111.9	Q169 G172 S173 L174 C216 Q217	R167-Q169 VanDerWaalsContact C-N 3.31Å; R167-Q169 PolarHBondContact O-N 3.32Å; R167-G172 WeakPolarHBondContact CD-O 3.37Å; R167-G172 WeakPolarHBondContact CG-O 3.32Å; R167-G172 PolarHBondContact NE-O 3.06Å; R167-S173 VanDerWaalsContact CA-O 3.31Å; R167-S173 WeakPolarHBondContact CA-O 3.3Å; R167-L174 HydrophobicContact CG-CD2 4.41Å; R167-C216 HydrophobicContact CB-CB 4.24Å; R167-C216 WeakPolarHBondContact O-CB 3.31Å; R167-Q217 WeakPolarHBondContact CG-O 3.29Å; R167-Q217 PolarHBondContact N-O 3.23Å
168	T	79.5	Confident	90.1	Very high	27 Å²	27	37.2 Å²	37.2	17%	0.166	22%	0.216	C	C	.	.	S	Bend	trans	-81.4	-15	-175.2	68.3	0	0	0	0	113.9	R33 V35 G166 S173	R33-T168 WeakPolarHBondContact O-CA 3.3Å; R33-T168 WeakPolarHBondContact O-CB 3.49Å; R33-T168 WeakPolarHBondContact O-CG2 3.25Å; V35-T168 WeakPolarHBondContact CA-O 3.36Å; V35-T168 PolarHBondContact N-O 3.19Å; G166-T168 PolarHBondContact O-N 2.83Å; T168-S173 PolarHBondContact N-O 3.12Å
169	Q	72.3	Confident	90	Very high	119 Å²	119	35.9 Å²	35.9	56%	0.556	21%	0.209	S	C	*	.	S	Bend	trans	-157.2	158.7	177.1	59.9	-175	49.1	0	0	109.3	R167 G171 G172	R167-Q169 VanDerWaalsContact C-N 3.31Å; R167-Q169 PolarHBondContact O-N 3.32Å; Q169-G171 PolarHBondContact O-N 3.04Å; Q169-G172 PolarHBondContact O-N 2.79Å
170	T	76.7	Confident	90	Very high	72 Å²	72	34.5 Å²	34.5	44%	0.442	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	122.7	173.9	-58.8	0	0	0	0	110.2	G172 G245 C246	T170-G172 PolarHBondContact O-N 3.44Å; T170-G245 WeakPolarHBondContact OG1-CA 3.43Å; T170-C246 PolarHBondContact OG1-N 3.44Å; T170-C246 VanDerWaalsContact OG1-N 3.1Å
171	G	77.3	Confident	89.8	Confident	59 Å²	59	34.7 Å²	34.7	61%	0.608	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.9	3.3	-177.8	0	0	0	0	0	115.7	Q169	Q169-G171 PolarHBondContact O-N 3.04Å
172	G	81.5	Confident	89.7	Confident	14 Å²	14	36.8 Å²	36.8	14%	0.144	21%	0.208	C	C	.	.			trans	-81.7	-169.3	179.8	0	0	0	0	0	115	R167 Q169 T170	R167-G172 WeakPolarHBondContact CD-O 3.37Å; R167-G172 WeakPolarHBondContact CG-O 3.32Å; R167-G172 PolarHBondContact NE-O 3.06Å; Q169-G172 PolarHBondContact O-N 2.79Å; T170-G172 PolarHBondContact O-N 3.44Å
173	S	85.7	Confident	89.7	Confident	93 Å²	93	36.8 Å²	36.8	65%	0.65	21%	0.208	S	C	*	.	P	Polyproline II helix	trans	-88.5	160.1	175.9	-60.1	0	0	0	0	111.9	R167 T168	R167-S173 VanDerWaalsContact CA-O 3.31Å; R167-S173 WeakPolarHBondContact CA-O 3.3Å; T168-S173 PolarHBondContact N-O 3.12Å
174	L	87	Confident	89.7	Confident	51 Å²	51	37.8 Å²	37.8	27%	0.267	21%	0.214	S	C	.	.	B	Isolated β-bridge	trans	-61.5	155.5	168.1	-65.7	174.3	0	0	0	110.6	H61 W165 R167	H61-L174 HydrophobicContact CB-CD1 4.49Å; W165-L174 WeakPolarHBondContact O-CB 3.33Å; W165-L174 WeakPolarHBondContact O-CD2 3.39Å; R167-L174 HydrophobicContact CG-CD2 4.41Å
175	S	90.6	Very high	89.8	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.007	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-81.1	136.5	170.4	-170	0	0	0	0	110.2	W165 Q177 K179	W165-S175 PolarHBondContact O-N 3.23Å; S175-Q177 WeakPolarHBondContact CB-O 3.39Å; S175-Q177 PolarHBondContact OG-O 2.84Å; S175-K179 WeakPolarHBondContact OG-CD 3.38Å; S175-K179 WeakPolarHBondContact OG-CE 3.47Å; S175-K179 PolarHBondContact OG-NZ 3.07Å
176	A	92	Very high	89.9	Confident	26 Å²	26	38.1 Å²	38.1	22%	0.215	22%	0.216	C	C	.	.	S	Bend	trans	-68.1	-52.8	169.7	0	0	0	0	0	110.7	D94 I95 Y96 W165	D94-A176 WeakPolarHBondContact CA-O 3.49Å; I95-A176 WeakPolarHBondContact CG1-O 3.35Å; I95-A176 PolarHBondContact N-O 3.49Å; Y96-A176 HydrophobicContact CD2-CB 3.58Å; Y96-A176 HydrophobicContact CE2-CB 3.96Å; W165-A176 PolarHBondContact NE1-O 2.93Å
177	Q	95.6	Very high	90.4	Very high	80 Å²	80	40.3 Å²	40.3	37%	0.374	23%	0.228	S	C	.	.	B	Isolated β-bridge	trans	-87.4	148.8	-179.6	-63.8	179.7	-45.6	0	0	112	V39 H93 D94 W165 S175 K179	V39-Q177 HydrophobicContact CG1-CB 4.1Å; H93-Q177 CarbonylContact O-C 3.55Å; H93-Q177 VanDerWaalsContact O-CA 3.3Å; H93-Q177 WeakPolarHBondContact O-CA 3.39Å; D94-Q177 HydrophobicContact CB-CG 4.35Å; W165-Q177 VanDerWaalsContact CD1-C 3.46Å; S175-Q177 WeakPolarHBondContact CB-O 3.39Å; S175-Q177 PolarHBondContact OG-O 2.84Å; Q177-K179 PolarHBondContact O-N 2.63Å
178	L	96.8	Very high	91	Very high	8 Å²	8	41 Å²	41	4%	0.042	23%	0.232	C	C	.	.			trans	-63.2	132.8	175.6	-179.9	63.5	0	0	0	109.4	A40 W45 Q48 H93 W165	A40-L178 HydrophobicContact CB-CD2 4.39Å; A40-L178 HydrophobicContact CB-CG 4.19Å; A40-L178 PolarHBondContact N-O 2.92Å; W45-L178 HydrophobicContact CB-CD2 4.45Å; Q48-L178 HydrophobicContact CB-CD2 4.5Å; Q48-L178 HydrophobicContact CG-CD1 3.9Å; Q48-L178 HydrophobicContact CG-CD2 4.24Å; H93-L178 PolarHBondContact O-N 3.05Å; W165-L178 HydrophobicContact CD2-CD1 3.93Å; W165-L178 HydrophobicContact CE3-CD1 4.04Å; W165-L178 HydrophobicContact CH2-CD1 3.94Å; W165-L178 HydrophobicContact CZ2-CB 3.81Å; W165-L178 HydrophobicContact CZ2-CD1 3.8Å; W165-L178 HydrophobicContact CZ2-CD2 4.42Å; W165-L178 HydrophobicContact CZ2-CG 4.21Å; W165-L178 HydrophobicContact CZ3-CD1 4.04Å; W165-L178 VanDerWaalsContact NE1-CA 3.35Å; W165-L178 VanDerWaalsContact NE1-N 3.11Å
179	K	95.7	Very high	91.9	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.009	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	161.7	179.4	-71.7	-172.7	-178.2	148.5	0	112.4	E32 R33 V34 E38 T163 G164 S175 Q177	E32-K179 VanDerWaalsContact C-CE 3.48Å; E32-K179 VanDerWaalsContact CB-NZ 3.27Å; E32-K179 WeakPolarHBondContact O-CE 3.49Å; E32-K179 PolarHBondContact O-NZ 2.99Å; R33-K179 WeakPolarHBondContact O-CD 3.28Å; R33-K179 PolarHBondContact O-NZ 3.39Å; R33-K179 VanDerWaalsContact O-NZ 3.07Å; V34-K179 HydrophobicContact CB-CB 3.96Å; V34-K179 HydrophobicContact CB-CD 4.44Å; V34-K179 HydrophobicContact CG2-CB 3.37Å; V34-K179 HydrophobicContact CG2-CD 4.14Å; V34-K179 HydrophobicContact CG2-CG 4.34Å; E38-K179 CarbonylContact O-C 3.55Å; E38-K179 VanDerWaalsContact O-CA 3.26Å; E38-K179 WeakPolarHBondContact O-CA 3.35Å; E38-K179 WeakPolarHBondContact O-CB 3.44Å; T163-K179 VanDerWaalsContact CA-O 3.22Å; T163-K179 WeakPolarHBondContact CA-O 3.27Å; G164-K179 PolarHBondContact N-O 3.01Å; G164-K179 VanDerWaalsContact N-O 3.12Å; G164-K179 PolarHBondContact O-N 2.95Å; S175-K179 WeakPolarHBondContact OG-CD 3.38Å; S175-K179 WeakPolarHBondContact OG-CE 3.47Å; S175-K179 PolarHBondContact OG-NZ 3.07Å; Q177-K179 PolarHBondContact O-N 2.63Å
180	Q	97.3	Very high	93.1	Very high	21 Å²	21	42 Å²	42	10%	0.098	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	147	174.6	68.2	-176.9	33.5	0	0	110.5	G37 E38 A40 Y161 I162 T163	G37-Q180 WeakPolarHBondContact CA-O 3.45Å; E38-Q180 HydrophobicContact CG-CG 3.73Å; E38-Q180 PolarHBondContact N-O 2.9Å; E38-Q180 PolarHBondContact O-N 2.86Å; E38-Q180 PolarHBondContact OE1-NE2 2.83Å; A40-Q180 HydrophobicContact CB-CB 4.21Å; A40-Q180 HydrophobicContact CB-CG 4.19Å; Y161-Q180 HydrophobicContact CD1-CB 4.05Å; Y161-Q180 HydrophobicContact CD1-CG 4.19Å; Y161-Q180 HydrophobicContact CE1-CG 4.41Å; I162-Q180 VanDerWaalsContact O-CA 3.26Å; I162-Q180 WeakPolarHBondContact O-CA 3.22Å; T163-Q180 HydrophobicContact CG2-CB 3.95Å
181	A	96.1	Very high	94.1	Very high	3 Å²	3	38.5 Å²	38.5	3%	0.025	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	135.6	171.7	0	0	0	0	0	110.3	V34 Y161 I162 L183 E213	V34-A181 HydrophobicContact CG1-CB 4.08Å; Y161-A181 VanDerWaalsContact CA-O 3.27Å; Y161-A181 WeakPolarHBondContact CA-O 3.43Å; I162-A181 HydrophobicContact CG2-CB 3.91Å; I162-A181 PolarHBondContact N-O 3.47Å; I162-A181 PolarHBondContact O-N 2.97Å; A181-L183 PolarHBondContact O-N 3.2Å; A181-E213 HydrophobicContact CB-CB 4.24Å
182	Y	96.4	Very high	95.1	Very high	102 Å²	102	37.2 Å²	37.2	40%	0.4	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	116.4	176.1	176.6	-108.8	0	0	0	109.8	P159 C160 Y161 P184	P159-Y182 HydrophobicContact CB-CE2 3.74Å; C160-Y182 WeakPolarHBondContact O-CD2 3.23Å; Y161-Y182 HydrophobicContact CD2-CD2 4.39Å; Y161-Y182 AromaticContact CE2-CD2 3.87Å; Y161-Y182 HydrophobicContact CE2-CD2 3.87Å; Y182-P184 HydrophobicContact CE1-CB 4.22Å; Y182-P184 HydrophobicContact CE1-CG 3.96Å
183	L	97.8	Very high	95.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.209	C	C	.	.			trans	-128.1	97.6	178.7	-60.2	-173.6	0	0	0	109.1	C160 I162 A181 A208 E213 F255	C160-L183 WeakPolarHBondContact CB-O 2.86Å; C160-L183 CarbonylContact O-C 3.47Å; C160-L183 PolarHBondContact O-N 3.18Å; I162-L183 HydrophobicContact CB-CD1 3.77Å; I162-L183 HydrophobicContact CB-CG 4.48Å; I162-L183 HydrophobicContact CG2-CD1 3.45Å; I162-L183 VanDerWaalsContact CG2-CD1 3.45Å; I162-L183 HydrophobicContact CG2-CG 3.93Å; A181-L183 PolarHBondContact O-N 3.2Å; L183-A208 HydrophobicContact CB-CB 3.7Å; L183-E213 HydrophobicContact CD2-CB 3.61Å; L183-E213 VanDerWaalsContact CD2-O 3.29Å; L183-E213 WeakPolarHBondContact CD2-O 3.23Å; L183-F255 HydrophobicContact CD1-CZ 4.24Å
184	P	97.9	Very high	96.4	Very high	20 Å²	20	45.2 Å²	45.2	13%	0.13	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-67.1	147.4	175	27.3	-32	0	0	0	110.8	N158 Y182 V186 A208 G209	N158-P184 WeakPolarHBondContact O-CA 3Å; Y182-P184 HydrophobicContact CE1-CB 4.22Å; Y182-P184 HydrophobicContact CE1-CG 3.96Å; P184-V186 PolarHBondContact O-N 3.07Å; P184-A208 CarbonylContact O-C 3.31Å; P184-A208 VanDerWaalsContact O-CA 3.29Å; P184-A208 WeakPolarHBondContact O-CA 3.02Å; P184-G209 PolarHBondContact O-N 3.11Å
185	V	98.7	Very high	96.7	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.024	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	132.7	179.2	173.2	0	0	0	0	111.6	L154 H156 N157 N158 C160 V206 C207	L154-V185 HydrophobicContact CB-CG1 4.37Å; L154-V185 HydrophobicContact CB-CG2 4.14Å; L154-V185 HydrophobicContact CD1-CG2 3.83Å; H156-V185 PolarHBondContact ND1-O 2.78Å; N157-V185 PolarHBondContact N-O 3.1Å; N158-V185 HydrophobicContact CB-CB 4.21Å; N158-V185 HydrophobicContact CB-CG2 3.97Å; N158-V185 PolarHBondContact O-N 3.44Å; C160-V185 WeakPolarHBondContact SG-CG2 3.34Å; V185-V206 HydrophobicContact CG1-CG1 4.34Å; V185-V206 HydrophobicContact CG2-CG1 4.38Å; V185-C207 WeakPolarHBondContact CA-O 3.47Å
186	V	98.6	Very high	97	Very high	6 Å²	6	46.2 Å²	46.2	4%	0.036	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	118.1	163.8	-175.3	0	0	0	0	107.3	P184 T190 C191 W196 C207 G209 P252	P184-V186 PolarHBondContact O-N 3.07Å; V186-T190 HydrophobicContact CG1-CG2 3.75Å; V186-C191 HydrophobicContact CB-CB 4.49Å; V186-C191 HydrophobicContact CG1-CB 3.93Å; V186-W196 HydrophobicContact CB-CZ3 4.39Å; V186-W196 HydrophobicContact CG1-CE3 4.08Å; V186-W196 HydrophobicContact CG1-CH2 4.06Å; V186-W196 HydrophobicContact CG1-CZ3 3.71Å; V186-W196 HydrophobicContact CG2-CH2 4.27Å; V186-W196 HydrophobicContact CG2-CZ3 3.93Å; V186-C207 HydrophobicContact CB-CB 3.91Å; V186-C207 PolarHBondContact N-O 3.17Å; V186-G209 VanDerWaalsContact CG2-O 3.29Å; V186-G209 WeakPolarHBondContact CG2-O 3.49Å; V186-P252 HydrophobicContact CB-CG 4.47Å; V186-P252 HydrophobicContact CG2-CB 4.22Å; V186-P252 HydrophobicContact CG2-CG 4.33Å
187	D	98.4	Very high	97.3	Very high	46 Å²	46	46.5 Å²	46.5	25%	0.246	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-65.1	164.4	-176.8	70.2	26.4	0	0	0	112.4	H156 N189 T190 C191	H156-D187 HydrophobicContact CB-CB 3.91Å; D187-N189 VanDerWaalsContact C-N 3.31Å; D187-N189 PolarHBondContact O-N 3.1Å; D187-N189 PolarHBondContact OD1-N 3.38Å; D187-T190 PolarHBondContact O-N 2.84Å; D187-T190 WeakPolarHBondContact OD1-CB 2.84Å; D187-T190 PolarHBondContact OD1-N 2.89Å; D187-T190 PolarHBondContact OD1-OG1 3.24Å; D187-C191 WeakPolarHBondContact O-CB 2.78Å; D187-C191 PolarHBondContact O-N 3.09Å
188	Y	98.5	Very high	97.4	Very high	108 Å²	108	43.7 Å²	43.7	42%	0.424	22%	0.221	S	C	.	.	H	α-helix	trans	-59.8	-40.9	-175.9	175.7	-104.8	0	0	0	112.6	T190 C191 S192 V201 K202	Y188-T190 PolarHBondContact O-N 2.97Å; Y188-C191 PolarHBondContact O-N 3Å; Y188-S192 VanDerWaalsContact O-CB 3.25Å; Y188-S192 WeakPolarHBondContact O-CB 2.98Å; Y188-S192 PolarHBondContact O-N 3.16Å; Y188-S192 PolarHBondContact O-OG 3.2Å; Y188-V201 HydrophobicContact CD2-CG1 3.84Å; Y188-V201 HydrophobicContact CE2-CG1 3.92Å; Y188-K202 VanDerWaalsContact CE2-C 3.49Å
189	N	98.3	Very high	97.4	Very high	124 Å²	124	48.5 Å²	48.5	66%	0.663	26%	0.255	S	S	*	.	H	α-helix	trans	-64.6	-42.3	-177.2	-68.4	-20.5	0	0	0	111.4	D187 S193	D187-N189 VanDerWaalsContact C-N 3.31Å; D187-N189 PolarHBondContact O-N 3.1Å; D187-N189 PolarHBondContact OD1-N 3.38Å; N189-S193 PolarHBondContact O-N 2.9Å
190	T	98.3	Very high	97.6	Very high	41 Å²	41	50.7 Å²	50.7	25%	0.252	27%	0.269	S	S	.	.	H	α-helix	trans	-70.8	-48.4	175.9	-53	0	0	0	0	110.3	V186 D187 Y188 S192 S193 W196	V186-T190 HydrophobicContact CG1-CG2 3.75Å; D187-T190 PolarHBondContact O-N 2.84Å; D187-T190 WeakPolarHBondContact OD1-CB 2.84Å; D187-T190 PolarHBondContact OD1-N 2.89Å; D187-T190 PolarHBondContact OD1-OG1 3.24Å; Y188-T190 PolarHBondContact O-N 2.97Å; T190-S192 VanDerWaalsContact C-N 3.29Å; T190-S192 PolarHBondContact O-N 3.2Å; T190-S193 WeakPolarHBondContact O-CB 3.3Å; T190-S193 PolarHBondContact O-N 3.06Å; T190-S193 PolarHBondContact O-OG 2.86Å; T190-S193 VanDerWaalsContact O-OG 3.07Å; T190-W196 HydrophobicContact CG2-CD2 4.3Å; T190-W196 HydrophobicContact CG2-CH2 4.34Å; T190-W196 HydrophobicContact CG2-CZ2 3.77Å; T190-W196 WeakPolarHBondContact O-CB 3.28Å; T190-W196 VanDerWaalsContact O-CG 3.3Å
191	C	98.3	Very high	97.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-65.8	-32.1	-175.2	-165.1	0	0	0	0	112.8	V186 D187 Y188 W196 W197 V201 C207	V186-C191 HydrophobicContact CB-CB 4.49Å; V186-C191 HydrophobicContact CG1-CB 3.93Å; D187-C191 WeakPolarHBondContact O-CB 2.78Å; D187-C191 PolarHBondContact O-N 3.09Å; Y188-C191 PolarHBondContact O-N 3Å; C191-W196 VanDerWaalsContact O-CB 3.26Å; C191-W196 WeakPolarHBondContact O-CB 3.49Å; C191-W197 WeakPolarHBondContact O-CA 3.37Å; C191-W197 WeakPolarHBondContact O-CB 3.39Å; C191-W197 PolarHBondContact O-N 2.75Å; C191-W197 VanDerWaalsContact SG-CD1 3.53Å; C191-V201 HydrophobicContact CB-CG1 4.37Å; C191-C207 HydrophobicContact CB-CB 3.71Å; C191-C207 WeakPolarHBondContact CB-SG 3.43Å; C191-C207 WeakPolarHBondContact SG-CB 3.15Å; C191-C207 CovalentContact SG-SG 2.02Å; C191-C207 PolarHBondContact SG-SG 2.97Å
192	S	98.5	Very high	97.7	Very high	31 Å²	31	52.9 Å²	52.9	22%	0.217	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	2.1	175.5	65.4	0	0	0	0	114.2	Y188 T190 G198	Y188-S192 VanDerWaalsContact O-CB 3.25Å; Y188-S192 WeakPolarHBondContact O-CB 2.98Å; Y188-S192 PolarHBondContact O-N 3.16Å; Y188-S192 PolarHBondContact O-OG 3.2Å; T190-S192 VanDerWaalsContact C-N 3.29Å; T190-S192 PolarHBondContact O-N 3.2Å; S192-G198 WeakPolarHBondContact CA-O 3.21Å; S192-G198 WeakPolarHBondContact CB-O 3.2Å; S192-G198 CarbonylContact O-C 3.55Å; S192-G198 VanDerWaalsContact O-CA 3.25Å; S192-G198 WeakPolarHBondContact O-CA 3.41Å
193	S	98.3	Very high	97.8	Very high	45 Å²	45	51.9 Å²	51.9	32%	0.315	29%	0.285	S	S	.	.	S	Bend	trans	-72.3	164	178.3	87.5	0	0	0	0	111.8	N189 T190 W196 G198	N189-S193 PolarHBondContact O-N 2.9Å; T190-S193 WeakPolarHBondContact O-CB 3.3Å; T190-S193 PolarHBondContact O-N 3.06Å; T190-S193 PolarHBondContact O-OG 2.86Å; T190-S193 VanDerWaalsContact O-OG 3.07Å; S193-W196 PolarHBondContact O-N 3.08Å; S193-G198 PolarHBondContact O-N 3.03Å
194	Y	95.1	Very high	97.8	Very high	231 Å²	231	53 Å²	53	91%	0.906	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	141.9	169	-176.2	-99.7	0	0	0	110.7	W196	Y194-W196 PolarHBondContact O-N 3.44Å
195	G	92.9	Very high	97.9	Very high	36 Å²	36	52.6 Å²	52.6	37%	0.371	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	-27.6	-174.3	0	0	0	0	0	114.7	K251	G195-K251 PolarHBondContact O-NZ 3.26Å
196	W	97.8	Very high	97.9	Very high	36 Å²	36	53.1 Å²	53.1	14%	0.136	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-131.4	175.4	-67.6	77.2	0	0	0	111.2	V186 T190 C191 S193 Y194 Q250 K251 P252	V186-W196 HydrophobicContact CB-CZ3 4.39Å; V186-W196 HydrophobicContact CG1-CE3 4.08Å; V186-W196 HydrophobicContact CG1-CH2 4.06Å; V186-W196 HydrophobicContact CG1-CZ3 3.71Å; V186-W196 HydrophobicContact CG2-CH2 4.27Å; V186-W196 HydrophobicContact CG2-CZ3 3.93Å; T190-W196 HydrophobicContact CG2-CD2 4.3Å; T190-W196 HydrophobicContact CG2-CH2 4.34Å; T190-W196 HydrophobicContact CG2-CZ2 3.77Å; T190-W196 WeakPolarHBondContact O-CB 3.28Å; T190-W196 VanDerWaalsContact O-CG 3.3Å; C191-W196 VanDerWaalsContact O-CB 3.26Å; C191-W196 WeakPolarHBondContact O-CB 3.49Å; S193-W196 PolarHBondContact O-N 3.08Å; Y194-W196 PolarHBondContact O-N 3.44Å; W196-Q250 WeakPolarHBondContact CA-O 3.49Å; W196-Q250 HydrophobicContact CD2-CB 4.03Å; W196-Q250 HydrophobicContact CD2-CG 4.26Å; W196-Q250 HydrophobicContact CE3-CB 4.18Å; W196-Q250 HydrophobicContact CG-CB 4.41Å; W196-Q250 HydrophobicContact CH2-CG 4.39Å; W196-Q250 HydrophobicContact CZ2-CG 4.06Å; W196-K251 WeakPolarHBondContact O-CE 3.21Å; W196-K251 PolarHBondContact O-NZ 3.1Å; W196-P252 HydrophobicContact CE3-CG 3.95Å; W196-P252 HydrophobicContact CZ3-CG 3.96Å
197	W	98.1	Very high	97.9	Very high	32 Å²	32	53 Å²	53	12%	0.121	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-13.4	178.4	-77.7	112.3	0	0	0	113.6	C191 S199 T200 V201 F240 K251 P252 V254	C191-W197 WeakPolarHBondContact O-CA 3.37Å; C191-W197 WeakPolarHBondContact O-CB 3.39Å; C191-W197 PolarHBondContact O-N 2.75Å; C191-W197 VanDerWaalsContact SG-CD1 3.53Å; W197-S199 PolarHBondContact O-N 2.92Å; W197-T200 HydrophobicContact CE3-CG2 4.09Å; W197-T200 HydrophobicContact CZ3-CG2 4.49Å; W197-T200 WeakPolarHBondContact O-CB 3.33Å; W197-T200 PolarHBondContact O-N 2.84Å; W197-T200 PolarHBondContact O-OG1 2.84Å; W197-T200 VanDerWaalsContact O-OG1 3.09Å; W197-V201 HydrophobicContact CB-CB 4.02Å; W197-V201 HydrophobicContact CB-CG2 3.64Å; W197-V201 HydrophobicContact CG-CG2 3.89Å; W197-F240 HydrophobicContact CD2-CE2 4.38Å; W197-F240 HydrophobicContact CE3-CE2 4.27Å; W197-F240 AromaticContact CH2-CD2 4Å; W197-F240 HydrophobicContact CH2-CD2 4Å; W197-F240 AromaticContact CH2-CE2 3.87Å; W197-F240 HydrophobicContact CH2-CE2 3.87Å; W197-F240 HydrophobicContact CZ2-CD2 4.26Å; W197-F240 HydrophobicContact CZ2-CE2 4.04Å; W197-F240 HydrophobicContact CZ3-CD2 4.48Å; W197-F240 HydrophobicContact CZ3-CE2 4.02Å; W197-K251 HydrophobicContact CD2-CD 3.76Å; W197-K251 HydrophobicContact CE3-CD 3.84Å; W197-K251 HydrophobicContact CG-CD 4.39Å; W197-K251 HydrophobicContact CH2-CB 4.41Å; W197-K251 HydrophobicContact CH2-CD 4.15Å; W197-K251 HydrophobicContact CZ2-CB 3.78Å; W197-K251 HydrophobicContact CZ2-CD 4.03Å; W197-K251 HydrophobicContact CZ2-CG 4.44Å; W197-K251 HydrophobicContact CZ3-CD 4.03Å; W197-P252 PolarHBondContact NE1-O 3.17Å; W197-V254 HydrophobicContact CD2-CG2 4.38Å; W197-V254 HydrophobicContact CG-CG2 4.4Å; W197-V254 HydrophobicContact CZ2-CG2 4.24Å
198	G	98.1	Very high	97.9	Very high	21 Å²	21	50.8 Å²	50.8	22%	0.216	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	57.6	-138.3	-179.8	0	0	0	0	0	112	S192 S193 T200	S192-G198 WeakPolarHBondContact CA-O 3.21Å; S192-G198 WeakPolarHBondContact CB-O 3.2Å; S192-G198 CarbonylContact O-C 3.55Å; S192-G198 VanDerWaalsContact O-CA 3.25Å; S192-G198 WeakPolarHBondContact O-CA 3.41Å; S193-G198 PolarHBondContact O-N 3.03Å; G198-T200 PolarHBondContact O-N 2.89Å; G198-T200 VanDerWaalsContact O-N 3.17Å
199	S	97.3	Very high	97.8	Very high	110 Å²	110	45.8 Å²	45.8	77%	0.769	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-69.4	-8.6	179.4	59.4	0	0	0	0	114.6	W197 K202	W197-S199 PolarHBondContact O-N 2.92Å; S199-K202 PolarHBondContact O-NZ 2.8Å
200	T	97.9	Very high	97.4	Very high	48 Å²	48	40 Å²	40	29%	0.294	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-62.3	-45.1	178	-55.5	0	0	0	0	110.9	A122 W197 G198 K202 F240	A122-T200 HydrophobicContact CB-CG2 3.85Å; W197-T200 HydrophobicContact CE3-CG2 4.09Å; W197-T200 HydrophobicContact CZ3-CG2 4.49Å; W197-T200 WeakPolarHBondContact O-CB 3.33Å; W197-T200 PolarHBondContact O-N 2.84Å; W197-T200 PolarHBondContact O-OG1 2.84Å; W197-T200 VanDerWaalsContact O-OG1 3.09Å; G198-T200 PolarHBondContact O-N 2.89Å; G198-T200 VanDerWaalsContact O-N 3.17Å; T200-K202 PolarHBondContact O-NZ 3.22Å; T200-F240 HydrophobicContact CG2-CE2 4.17Å; T200-F240 HydrophobicContact CG2-CZ 4.06Å
201	V	98.3	Very high	96.7	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.012	24%	0.242	C	C	.	.			trans	-77.4	140.3	-179.6	149.4	0	0	0	0	111.4	Y188 C191 W197 M205 V254	Y188-V201 HydrophobicContact CD2-CG1 3.84Å; Y188-V201 HydrophobicContact CE2-CG1 3.92Å; C191-V201 HydrophobicContact CB-CG1 4.37Å; W197-V201 HydrophobicContact CB-CB 4.02Å; W197-V201 HydrophobicContact CB-CG2 3.64Å; W197-V201 HydrophobicContact CG-CG2 3.89Å; V201-M205 HydrophobicContact CG2-SD 4.34Å; V201-V254 HydrophobicContact CG2-CG1 4.09Å; V201-V254 HydrophobicContact CG2-CG2 3.86Å
202	K	98.4	Very high	96.1	Very high	68 Å²	68	46.8 Å²	46.8	30%	0.296	26%	0.263	S	S	.	.			trans	-115.9	161.1	179.3	-56.7	-60.6	-179.4	-68.4	0	110.7	A122 Y188 S199 T200 S204 M205	A122-K202 WeakPolarHBondContact O-CE 3.49Å; A122-K202 PolarHBondContact O-NZ 2.84Å; Y188-K202 VanDerWaalsContact CE2-C 3.49Å; S199-K202 PolarHBondContact O-NZ 2.8Å; T200-K202 PolarHBondContact O-NZ 3.22Å; K202-S204 PolarHBondContact O-N 2.94Å; K202-S204 VanDerWaalsContact O-N 3.17Å; K202-M205 HydrophobicContact CB-CE 4.27Å; K202-M205 HydrophobicContact CB-CG 4.4Å; K202-M205 HydrophobicContact CB-SD 4.14Å; K202-M205 HydrophobicContact CG-CE 4.08Å; K202-M205 HydrophobicContact CG-SD 4.37Å; K202-M205 PolarHBondContact N-SD 2.81Å; K202-M205 VanDerWaalsContact N-SD 3.38Å; K202-M205 WeakPolarHBondContact O-CB 3.48Å; K202-M205 PolarHBondContact O-N 2.86Å
203	S	98.1	Very high	95.7	Very high	80 Å²	80	48 Å²	48	56%	0.559	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-12.8	175.2	59.1	0	0	0	0	113.6	R257	S203-R257 VanDerWaalsContact O-CZ 3.3Å; S203-R257 PolarHBondContact O-NE 3.13Å; S203-R257 PolarHBondContact O-NH2 3.17Å
204	S	98.6	Very high	95.2	Very high	23 Å²	23	46 Å²	46	16%	0.161	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	6.7	169.6	55.5	0	0	0	0	113.6	K202 R257	K202-S204 PolarHBondContact O-N 2.94Å; K202-S204 VanDerWaalsContact O-N 3.17Å; S204-R257 WeakPolarHBondContact O-CB 3.35Å; S204-R257 PolarHBondContact O-N 2.73Å
205	M	98.9	Very high	94.8	Very high	13 Å²	13	35 Å²	35	6%	0.064	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	161.4	-180	-59.6	167.5	179.1	0	0	111.4	G124 V201 K202 F240 V254 F255	G124-M205 VanDerWaalsContact CA-CE 3.47Å; V201-M205 HydrophobicContact CG2-SD 4.34Å; K202-M205 HydrophobicContact CB-CE 4.27Å; K202-M205 HydrophobicContact CB-CG 4.4Å; K202-M205 HydrophobicContact CB-SD 4.14Å; K202-M205 HydrophobicContact CG-CE 4.08Å; K202-M205 HydrophobicContact CG-SD 4.37Å; K202-M205 PolarHBondContact N-SD 2.81Å; K202-M205 VanDerWaalsContact N-SD 3.38Å; K202-M205 WeakPolarHBondContact O-CB 3.48Å; K202-M205 PolarHBondContact O-N 2.86Å; M205-F240 HydrophobicContact CE-CE1 4.16Å; M205-F240 HydrophobicContact SD-CE1 4.15Å; M205-F240 HydrophobicContact SD-CZ 4.35Å; M205-V254 HydrophobicContact CB-CG1 3.86Å; M205-V254 HydrophobicContact CG-CG1 4.08Å; M205-V254 HydrophobicContact SD-CG1 3.78Å; M205-F255 CarbonylContact C-O 3.59Å; M205-F255 WeakPolarHBondContact CA-O 3.47Å; M205-F255 WeakPolarHBondContact CB-O 3.45Å
206	V	98.8	Very high	94.7	Very high	15 Å²	15	33.5 Å²	33.5	9%	0.091	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	140.1	167.8	-178.2	0	0	0	0	107.8	V185 L224 F255 R257	V185-V206 HydrophobicContact CG1-CG1 4.34Å; V185-V206 HydrophobicContact CG2-CG1 4.38Å; V206-L224 HydrophobicContact CG1-CD2 3.91Å; V206-F255 HydrophobicContact CB-CB 4.44Å; V206-F255 PolarHBondContact N-O 2.88Å; V206-F255 PolarHBondContact O-N 3.48Å; V206-R257 HydrophobicContact CG2-CB 3.69Å; V206-R257 HydrophobicContact CG2-CG 3.6Å
207	C	98.8	Very high	94.2	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.014	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	141.7	170.9	-57.3	0	0	0	0	109.4	V185 V186 C191 P252 T253	V185-C207 WeakPolarHBondContact CA-O 3.47Å; V186-C207 HydrophobicContact CB-CB 3.91Å; V186-C207 PolarHBondContact N-O 3.17Å; C191-C207 HydrophobicContact CB-CB 3.71Å; C191-C207 WeakPolarHBondContact CB-SG 3.43Å; C191-C207 WeakPolarHBondContact SG-CB 3.15Å; C191-C207 CovalentContact SG-SG 2.02Å; C191-C207 PolarHBondContact SG-SG 2.97Å; C207-P252 HydrophobicContact CB-CB 4.13Å; C207-P252 HydrophobicContact CB-CG 3.77Å; C207-T253 WeakPolarHBondContact CA-O 3.46Å
208	A	98.5	Very high	93.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	144.3	173.5	0	0	0	0	0	112	L183 P184 L224 P252 T253 F255	L183-A208 HydrophobicContact CB-CB 3.7Å; P184-A208 CarbonylContact O-C 3.31Å; P184-A208 VanDerWaalsContact O-CA 3.29Å; P184-A208 WeakPolarHBondContact O-CA 3.02Å; A208-L224 HydrophobicContact CB-CD1 3.99Å; A208-L224 HydrophobicContact CB-CD2 4Å; A208-P252 VanDerWaalsContact O-CB 3.23Å; A208-P252 WeakPolarHBondContact O-CB 3.38Å; A208-T253 PolarHBondContact N-O 2.81Å; A208-T253 PolarHBondContact O-N 3.01Å; A208-T253 VanDerWaalsContact O-N 3.09Å; A208-F255 HydrophobicContact CB-CD2 4.47Å; A208-F255 HydrophobicContact CB-CE2 3.82Å
209	G	96.8	Very high	93.6	Very high	3 Å²	3	33.6 Å²	33.6	3%	0.031	19%	0.193	C	C	.	.			trans	79.8	-132.4	-176.6	0	0	0	0	0	113.1	P184 V186	P184-G209 PolarHBondContact O-N 3.11Å; V186-G209 VanDerWaalsContact CG2-O 3.29Å; V186-G209 WeakPolarHBondContact CG2-O 3.49Å
210	G	89.3	Confident	93.6	Very high	4 Å²	4	29.4 Å²	29.4	4%	0.041	16%	0.163	C	C	.	.			trans	101.3	16.7	-177.1	0	0	0	0	0	114.6	Q250	G210-Q250 PolarHBondContact O-N 3.33Å
211	Y	85	Confident	93.7	Very high	117 Å²	117	27.1 Å²	27.1	46%	0.459	15%	0.149	S	C	.	.	S	Bend	trans	-122	-129.3	177.1	-58.3	-75.3	0	0	0	110.1	Y249	Y211-Y249 HydrophobicContact CD1-CD2 4.2Å; Y211-Y249 AromaticContact CD1-CE2 3.79Å; Y211-Y249 HydrophobicContact CD1-CE2 3.79Å; Y211-Y249 AromaticContact CE1-CE2 3.92Å; Y211-Y249 HydrophobicContact CE1-CE2 3.92Å
212	S	85.6	Confident	93.7	Very high	65 Å²	65	27 Å²	27	46%	0.455	15%	0.149	S	C	.	.	S	Bend	trans	-73.8	-32.4	179.7	33.1	0	0	0	0	113.1	N247	S212-N247 WeakPolarHBondContact O-CB 3.1Å
213	E	89.1	Confident	93.7	Very high	57 Å²	57	23.8 Å²	23.8	27%	0.266	14%	0.135	S	C	.	.			trans	-93.9	139.1	-177.3	-58.2	68.4	-144.2	0	0	112.4	V35 A181 L183	V35-E213 WeakPolarHBondContact O-CA 3.08Å; A181-E213 HydrophobicContact CB-CB 4.24Å; L183-E213 HydrophobicContact CD2-CB 3.61Å; L183-E213 VanDerWaalsContact CD2-O 3.29Å; L183-E213 WeakPolarHBondContact CD2-O 3.23Å
214	S	88.8	Confident	93.7	Very high	4 Å²	4	20 Å²	20	3%	0.028	11%	0.108	C	C	.	.			trans	-159.5	155.6	177.9	64.3	0	0	0	0	112.5	V34 V35 C246 N247	V34-S214 VanDerWaalsContact CG1-O 3.28Å; V34-S214 WeakPolarHBondContact CG1-O 3.27Å; V35-S214 PolarHBondContact O-N 3.04Å; V35-S214 VanDerWaalsContact O-N 3.12Å; S214-C246 WeakPolarHBondContact CB-O 3.43Å; S214-C246 PolarHBondContact OG-O 2.73Å; S214-N247 WeakPolarHBondContact OG-CA 3.41Å; S214-N247 PolarHBondContact OG-N 3.37Å
215	G	86.4	Confident	93.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.1	C	C	.	.			trans	-66.3	163.8	157.3	0	0	0	0	0	112.2	I162 V241 C246 T253	I162-G215 VanDerWaalsContact CD1-CA 3.43Å; G215-V241 WeakPolarHBondContact O-CG1 3.45Å; G215-C246 WeakPolarHBondContact O-CB 3.29Å; G215-T253 PolarHBondContact N-OG1 3.23Å
216	C	90.6	Very high	93.7	Very high	4 Å²	4	18.2 Å²	18.2	3%	0.027	10%	0.097	C	C	.	.			trans	-147.2	-178.1	179.3	-153.4	0	0	0	0	111.8	V35 R167 G218 D219 C246	V35-C216 HydrophobicContact CG2-CB 4.06Å; R167-C216 HydrophobicContact CB-CB 4.24Å; R167-C216 WeakPolarHBondContact O-CB 3.31Å; C216-G218 PolarHBondContact O-N 3.17Å; C216-D219 PolarHBondContact N-OD2 2.03Å; C216-D219 WeakPolarHBondContact O-CB 3.38Å; C216-D219 PolarHBondContact O-N 2.78Å; C216-C246 WeakPolarHBondContact CA-SG 3.27Å; C216-C246 HydrophobicContact CB-CB 3.7Å; C216-C246 WeakPolarHBondContact CB-SG 3.41Å; C216-C246 WeakPolarHBondContact SG-CB 3.47Å; C216-C246 CovalentContact SG-SG 2.04Å; C216-C246 PolarHBondContact SG-SG 3.41Å
217	Q	87.4	Confident	93.7	Very high	80 Å²	80	19.2 Å²	19.2	37%	0.374	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	131.2	-178.9	-65.7	75.7	23.6	0	0	110.6	G166 R167 C246	G166-Q217 CarbonylContact C-O 3.41Å; G166-Q217 WeakPolarHBondContact CA-O 3.1Å; R167-Q217 WeakPolarHBondContact CG-O 3.29Å; R167-Q217 PolarHBondContact N-O 3.23Å; Q217-C246 PolarHBondContact OE1-SG 2.69Å
218	G	87.1	Confident	93.6	Very high	10 Å²	10	20.3 Å²	20.3	10%	0.103	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.9	-23.5	-171.4	0	0	0	0	0	113.8	H61 C63 C216 S220	H61-G218 PolarHBondContact NE2-O 3.46Å; C63-G218 WeakPolarHBondContact CA-O 3.4Å; C216-G218 PolarHBondContact O-N 3.17Å; G218-S220 VanDerWaalsContact C-N 3.29Å
219	D	95.9	Very high	93.4	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	16%	0.155	C	C	.	.			trans	-80.8	-13.7	172.3	-60.3	-45.2	0	0	0	112.9	I162 G164 W165 G166 C216 G221 G222 T238	I162-D219 HydrophobicContact CD1-CB 4.12Å; G164-D219 VanDerWaalsContact CA-OD1 3.27Å; G164-D219 WeakPolarHBondContact CA-OD1 3.47Å; W165-D219 PolarHBondContact N-OD1 3.07Å; G166-D219 VanDerWaalsContact CA-OD1 3.22Å; G166-D219 WeakPolarHBondContact CA-OD1 3.21Å; G166-D219 PolarHBondContact N-OD1 2.88Å; C216-D219 PolarHBondContact N-OD2 2.03Å; C216-D219 WeakPolarHBondContact O-CB 3.38Å; C216-D219 PolarHBondContact O-N 2.78Å; D219-G221 PolarHBondContact O-N 2.92Å; D219-G222 WeakPolarHBondContact O-CA 3.37Å; D219-G222 PolarHBondContact O-N 3Å; D219-T238 HydrophobicContact CB-CG2 4.31Å; D219-T238 WeakPolarHBondContact O-CB 3.37Å; D219-T238 PolarHBondContact O-OG1 3.09Å
220	S	97.9	Very high	93.2	Very high	21 Å²	21	32 Å²	32	15%	0.147	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.7	137.4	174.6	-76.6	0	0	0	0	112.3	C63 G64 H78 G218 G222	C63-S220 CarbonylContact C-O 3.51Å; C63-S220 WeakPolarHBondContact CA-O 3.32Å; C63-S220 WeakPolarHBondContact CB-O 3.2Å; G64-S220 PolarHBondContact N-O 2.97Å; H78-S220 PolarHBondContact CE1-OG 3.3Å; H78-S220 WeakPolarHBondContact NE2-CB 3.2Å; H78-S220 PolarHBondContact NE2-OG 2.81Å; G218-S220 VanDerWaalsContact C-N 3.29Å; S220-G222 PolarHBondContact O-N 3.3Å; S220-G222 VanDerWaalsContact O-N 3.13Å
221	G	98.8	Very high	93.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	-17.8	-175.7	0	0	0	0	0	115.3	G64 G65 T75 A76 D219 T238	G64-G221 CarbonylContact O-C 3.43Å; G65-G221 VanDerWaalsContact CA-O 3.31Å; G65-G221 WeakPolarHBondContact CA-O 3.08Å; T75-G221 WeakPolarHBondContact OG1-CA 3.43Å; A76-G221 VanDerWaalsContact N-CA 3.34Å; D219-G221 PolarHBondContact O-N 2.92Å; G221-T238 PolarHBondContact N-O 2.76Å
222	G	98.7	Very high	94.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.206	C	C	.	.			trans	-67	167	176.9	0	0	0	0	0	113.9	D219 S220 V237 T238	D219-G222 WeakPolarHBondContact O-CA 3.37Å; D219-G222 PolarHBondContact O-N 3Å; S220-G222 PolarHBondContact O-N 3.3Å; S220-G222 VanDerWaalsContact O-N 3.13Å; G222-V237 CarbonylContact O-C 3.49Å; G222-V237 WeakPolarHBondContact O-CA 3.44Å; G222-T238 PolarHBondContact O-N 3.42Å; G222-T238 PolarHBondContact O-OG1 2.82Å; G222-T238 VanDerWaalsContact O-OG1 3.12Å
223	P	98.8	Very high	94.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	145.6	-175.9	31.8	-32.4	0	0	0	113.3	T163 V234 G236	T163-P223 WeakPolarHBondContact OG1-CG 3.31Å; P223-V234 HydrophobicContact CB-CG1 3.62Å; P223-V234 HydrophobicContact CB-CG2 4.16Å; P223-G236 WeakPolarHBondContact CA-O 3.5Å
224	L	98.9	Very high	95.3	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	110.6	151.4	-177.8	68.8	0	0	0	108.6	C160 V206 A208 H235 G236 F255	C160-L224 HydrophobicContact CB-CD1 3.61Å; C160-L224 HydrophobicContact CB-CD2 4.46Å; C160-L224 HydrophobicContact CB-CG 3.91Å; V206-L224 HydrophobicContact CG1-CD2 3.91Å; A208-L224 HydrophobicContact CB-CD1 3.99Å; A208-L224 HydrophobicContact CB-CD2 4Å; L224-H235 PolarHBondContact O-N 3.31Å; L224-G236 PolarHBondContact N-O 3.18Å; L224-G236 PolarHBondContact O-N 2.97Å; L224-F255 HydrophobicContact CB-CD1 3.65Å; L224-F255 HydrophobicContact CB-CE1 3.71Å; L224-F255 HydrophobicContact CB-CG 4.11Å; L224-F255 HydrophobicContact CB-CZ 4.19Å; L224-F255 HydrophobicContact CD1-CE1 4.18Å; L224-F255 HydrophobicContact CD1-CE2 4.11Å; L224-F255 HydrophobicContact CD1-CZ 3.82Å; L224-F255 HydrophobicContact CD2-CD1 4.48Å; L224-F255 HydrophobicContact CD2-CD2 3.9Å; L224-F255 HydrophobicContact CD2-CE2 4.07Å; L224-F255 HydrophobicContact CD2-CG 4.14Å; L224-F255 HydrophobicContact CD2-CZ 4.43Å; L224-F255 HydrophobicContact CG-CE1 4.38Å; L224-F255 HydrophobicContact CG-CE2 4.48Å; L224-F255 HydrophobicContact CG-CZ 4.37Å
225	N	98.8	Very high	95.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	110.9	-176.8	-50	-75.1	0	0	0	109.5	W45 W47 C160 Y161 T163 W232	W45-N225 HydrophobicContact CE3-CB 3.97Å; W45-N225 HydrophobicContact CH2-CB 3.93Å; W45-N225 HydrophobicContact CZ3-CB 3.39Å; W47-N225 WeakPolarHBondContact CZ2-OD1 3.35Å; W47-N225 PolarHBondContact NE1-OD1 3.4Å; C160-N225 CarbonylContact C-O 3.59Å; C160-N225 WeakPolarHBondContact CA-O 3.42Å; C160-N225 VanDerWaalsContact CB-O 3.32Å; C160-N225 WeakPolarHBondContact CB-O 3.36Å; Y161-N225 PolarHBondContact N-O 2.89Å; Y161-N225 PolarHBondContact O-N 3.12Å; Y161-N225 PolarHBondContact O-ND2 3.48Å; T163-N225 PolarHBondContact OG1-ND2 3.46Å; N225-W232 HydrophobicContact CB-CE3 4.3Å; N225-W232 WeakPolarHBondContact O-CZ3 3.19Å
226	C	98.8	Very high	96.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	142.9	-175.9	-64.3	0	0	0	0	111.9	L154 C160 W232 V233 H235	L154-C226 HydrophobicContact CD1-CB 3.6Å; L154-C226 WeakPolarHBondContact CD1-SG 3.16Å; C160-C226 HydrophobicContact CB-CB 3.99Å; C160-C226 WeakPolarHBondContact CB-SG 3.49Å; C160-C226 VanDerWaalsContact SG-CA 3.52Å; C160-C226 WeakPolarHBondContact SG-CB 3.37Å; C160-C226 CovalentContact SG-SG 2.03Å; C160-C226 PolarHBondContact SG-SG 3.33Å; C226-W232 VanDerWaalsContact C-CE3 3.47Å; C226-V233 PolarHBondContact N-O 3.49Å; C226-V233 PolarHBondContact O-N 3.47Å; C226-H235 HydrophobicContact CB-CB 4.22Å
227	S	98.1	Very high	96.7	Very high	35 Å²	35	29.7 Å²	29.7	25%	0.245	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	119.3	178.8	-163.2	0	0	0	0	110.4	N158 P159 Q231	N158-S227 PolarHBondContact ND2-O 2.97Å; P159-S227 PolarHBondContact O-N 3.06Å; S227-Q231 WeakPolarHBondContact CA-O 3.2Å
228	V	97.2	Very high	97.3	Very high	26 Å²	26	26 Å²	26	16%	0.158	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	117	175.6	-178.2	0	0	0	0	107.8	L154 G230 Q231 V233	L154-V228 HydrophobicContact CD2-CG2 3.94Å; V228-G230 PolarHBondContact O-N 3.4Å; V228-Q231 PolarHBondContact N-O 3.17Å; V228-Q231 PolarHBondContact O-N 3Å; V228-V233 HydrophobicContact CB-CG2 4.27Å
229	N	94.4	Very high	97.8	Very high	170 Å²	170	25.9 Å²	25.9	91%	0.909	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	37.7	179.3	-57.3	-30.8	0	0	0	114.1	Q231	N229-Q231 VanDerWaalsContact C-N 3.33Å
230	G	91.8	Very high	97.9	Very high	77 Å²	77	27.4 Å²	27.4	79%	0.794	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.6	6.6	179.7	0	0	0	0	0	115	V228	V228-G230 PolarHBondContact O-N 3.4Å
231	Q	96.3	Very high	97.8	Very high	106 Å²	106	27.7 Å²	27.7	50%	0.495	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	143.4	178.1	-175	172.6	10.4	0	0	111.4	S227 V228 N229	S227-Q231 WeakPolarHBondContact CA-O 3.2Å; V228-Q231 PolarHBondContact N-O 3.17Å; V228-Q231 PolarHBondContact O-N 3Å; N229-Q231 VanDerWaalsContact C-N 3.33Å
232	W	98.4	Very high	97.6	Very high	86 Å²	86	28.1 Å²	28.1	33%	0.326	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	126.2	170.7	-65.7	117	0	0	0	111	W45 W47 Y161 N225 C226	W45-W232 AromaticContact CH2-CD2 3.82Å; W45-W232 HydrophobicContact CH2-CD2 3.82Å; W45-W232 AromaticContact CH2-CE2 3.82Å; W45-W232 HydrophobicContact CH2-CE3 4.2Å; W45-W232 HydrophobicContact CH2-CG 4.14Å; W45-W232 HydrophobicContact CH2-CZ2 4.23Å; W45-W232 HydrophobicContact CZ3-CB 4.15Å; W45-W232 AromaticContact CZ3-CD1 3.98Å; W45-W232 AromaticContact CZ3-CD2 3.88Å; W45-W232 HydrophobicContact CZ3-CD2 3.88Å; W45-W232 HydrophobicContact CZ3-CE3 4.37Å; W45-W232 AromaticContact CZ3-CG 3.74Å; W45-W232 HydrophobicContact CZ3-CG 3.74Å; W47-W232 HydrophobicContact CH2-CB 3.88Å; W47-W232 HydrophobicContact CZ2-CB 4.11Å; Y161-W232 AromaticContact CD2-CH2 3.6Å; Y161-W232 HydrophobicContact CD2-CH2 3.6Å; Y161-W232 HydrophobicContact CD2-CZ2 4.23Å; Y161-W232 HydrophobicContact CD2-CZ3 4.09Å; Y161-W232 AromaticContact CE2-CH2 3.88Å; Y161-W232 HydrophobicContact CE2-CH2 3.88Å; Y161-W232 HydrophobicContact CE2-CZ2 4.37Å; N225-W232 HydrophobicContact CB-CE3 4.3Å; N225-W232 WeakPolarHBondContact O-CZ3 3.19Å; C226-W232 VanDerWaalsContact C-CE3 3.47Å
233	V	98.8	Very high	97.3	Very high	11 Å²	11	34.2 Å²	34.2	7%	0.067	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	136.7	-179	-178.5	0	0	0	0	109	V146 P148 C226 V228 H235	V146-V233 HydrophobicContact CG1-CG1 4.46Å; V146-V233 HydrophobicContact CG1-CG2 4.14Å; V146-V233 WeakPolarHBondContact O-CG1 3.39Å; P148-V233 HydrophobicContact CB-CG1 3.97Å; P148-V233 HydrophobicContact CG-CG1 4.47Å; C226-V233 PolarHBondContact N-O 3.49Å; C226-V233 PolarHBondContact O-N 3.47Å; V228-V233 HydrophobicContact CB-CG2 4.27Å; V233-H235 PolarHBondContact O-CD2 3.38Å; V233-H235 PolarHBondContact O-N 3.35Å; V233-H235 VanDerWaalsContact O-N 3.14Å
234	V	98.9	Very high	96.9	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	94.2	-178.8	-176.9	0	0	0	0	109.7	T66 M74 V146 L147 P148 P223	T66-V234 HydrophobicContact CG2-CB 4.47Å; T66-V234 HydrophobicContact CG2-CG1 4.31Å; T66-V234 HydrophobicContact CG2-CG2 3.94Å; M74-V234 HydrophobicContact CE-CG1 3.76Å; V146-V234 PolarHBondContact O-N 3.38Å; L147-V234 HydrophobicContact CD2-CB 4.41Å; P148-V234 WeakPolarHBondContact CD-O 3.07Å; P223-V234 HydrophobicContact CB-CG1 3.62Å; P223-V234 HydrophobicContact CB-CG2 4.16Å
235	H	98.9	Very high	96.5	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-19.1	-175.4	-90.6	-97.1	0	0	0	114.3	Q152 L154 L224 C226 V233 V258	Q152-H235 PolarHBondContact OE1-CE1 2.98Å; Q152-H235 PolarHBondContact OE1-NE2 3.47Å; L154-H235 HydrophobicContact CD1-CB 3.91Å; L154-H235 VanDerWaalsContact CD2-CE1 3.46Å; L154-H235 WeakPolarHBondContact CD2-CE1 2.97Å; L224-H235 PolarHBondContact O-N 3.31Å; C226-H235 HydrophobicContact CB-CB 4.22Å; V233-H235 PolarHBondContact O-CD2 3.38Å; V233-H235 PolarHBondContact O-N 3.35Å; V233-H235 VanDerWaalsContact O-N 3.14Å; H235-V258 PolarHBondContact O-N 2.92Å
236	G	98.9	Very high	95.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	149.5	-176.5	0	0	0	0	0	112.8	P223 L224 T256	P223-G236 WeakPolarHBondContact CA-O 3.5Å; L224-G236 PolarHBondContact N-O 3.18Å; L224-G236 PolarHBondContact O-N 2.97Å; G236-T256 WeakPolarHBondContact CA-O 3.26Å
237	V	98.9	Very high	95.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	119.1	163.8	174.7	0	0	0	0	107.1	M74 A76 G222 S239 F255 T256 V258	M74-V237 HydrophobicContact CE-CG2 3.7Å; M74-V237 HydrophobicContact CG-CG2 3.77Å; M74-V237 HydrophobicContact SD-CG2 3.65Å; A76-V237 HydrophobicContact CB-CG1 3.97Å; G222-V237 CarbonylContact O-C 3.49Å; G222-V237 WeakPolarHBondContact O-CA 3.44Å; V237-S239 PolarHBondContact O-N 2.8Å; V237-F255 CarbonylContact O-C 3.51Å; V237-F255 WeakPolarHBondContact O-CA 3.49Å; V237-F255 WeakPolarHBondContact O-CB 3.3Å; V237-T256 PolarHBondContact N-O 3.17Å; V237-T256 PolarHBondContact O-N 2.64Å; V237-V258 HydrophobicContact CG2-CG2 3.9Å
238	T	98.8	Very high	95.2	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.018	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	123.3	-176.3	-52.4	0	0	0	0	110.4	I162 D219 G221 G222 T253 F255	I162-T238 HydrophobicContact CD1-CG2 4.26Å; D219-T238 HydrophobicContact CB-CG2 4.31Å; D219-T238 WeakPolarHBondContact O-CB 3.37Å; D219-T238 PolarHBondContact O-OG1 3.09Å; G221-T238 PolarHBondContact N-O 2.76Å; G222-T238 PolarHBondContact O-N 3.42Å; G222-T238 PolarHBondContact O-OG1 2.82Å; G222-T238 VanDerWaalsContact O-OG1 3.12Å; T238-T253 HydrophobicContact CG2-CG2 4.12Å; T238-F255 VanDerWaalsContact CA-CD1 3.44Å; T238-F255 HydrophobicContact CG2-CE1 4.28Å; T238-F255 VanDerWaalsContact OG1-CE1 3.31Å; T238-F255 WeakPolarHBondContact OG1-CE1 3.37Å
239	S	98.6	Very high	95	Very high	7 Å²	7	50 Å²	50	5%	0.049	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	-63.7	-175.1	-179.3	0	0	0	0	111.2	H78 D126 V237 V254	H78-S239 PolarHBondContact CE1-O 3.29Å; D126-S239 WeakPolarHBondContact CB-OG 3.43Å; D126-S239 WeakPolarHBondContact OD2-CA 3.31Å; D126-S239 VanDerWaalsContact OD2-CB 3.31Å; D126-S239 WeakPolarHBondContact OD2-CB 3.29Å; D126-S239 PolarHBondContact OD2-OG 2.83Å; V237-S239 PolarHBondContact O-N 2.8Å; S239-V254 WeakPolarHBondContact CB-O 3.47Å; S239-V254 PolarHBondContact N-O 3.36Å
240	F	97.6	Very high	95.1	Very high	33 Å²	33	44.8 Å²	44.8	15%	0.145	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	164	-176.8	65.2	-92.1	0	0	0	114	V121 W197 T200 M205 V254	V121-F240 HydrophobicContact CG1-CB 4.32Å; V121-F240 HydrophobicContact CG1-CD1 3.63Å; V121-F240 HydrophobicContact CG1-CE1 4.33Å; V121-F240 HydrophobicContact CG1-CG 4.29Å; W197-F240 HydrophobicContact CD2-CE2 4.38Å; W197-F240 HydrophobicContact CE3-CE2 4.27Å; W197-F240 AromaticContact CH2-CD2 4Å; W197-F240 HydrophobicContact CH2-CD2 4Å; W197-F240 AromaticContact CH2-CE2 3.87Å; W197-F240 HydrophobicContact CH2-CE2 3.87Å; W197-F240 HydrophobicContact CZ2-CD2 4.26Å; W197-F240 HydrophobicContact CZ2-CE2 4.04Å; W197-F240 HydrophobicContact CZ3-CD2 4.48Å; W197-F240 HydrophobicContact CZ3-CE2 4.02Å; T200-F240 HydrophobicContact CG2-CE2 4.17Å; T200-F240 HydrophobicContact CG2-CZ 4.06Å; M205-F240 HydrophobicContact CE-CE1 4.16Å; M205-F240 HydrophobicContact SD-CE1 4.15Å; M205-F240 HydrophobicContact SD-CZ 4.35Å; F240-V254 HydrophobicContact CD1-CB 4.07Å; F240-V254 HydrophobicContact CD1-CG1 4.22Å; F240-V254 HydrophobicContact CD2-CB 4.06Å; F240-V254 HydrophobicContact CD2-CG2 4.15Å; F240-V254 HydrophobicContact CE1-CB 3.71Å; F240-V254 HydrophobicContact CE1-CG1 3.49Å; F240-V254 VanDerWaalsContact CE1-CG1 3.49Å; F240-V254 HydrophobicContact CE1-CG2 4.34Å; F240-V254 HydrophobicContact CE2-CB 3.69Å; F240-V254 HydrophobicContact CE2-CG1 4.2Å; F240-V254 HydrophobicContact CE2-CG2 3.5Å; F240-V254 VanDerWaalsContact CE2-CG2 3.5Å; F240-V254 HydrophobicContact CG-CB 4.24Å; F240-V254 HydrophobicContact CZ-CB 3.51Å; F240-V254 HydrophobicContact CZ-CG1 3.48Å; F240-V254 VanDerWaalsContact CZ-CG1 3.48Å; F240-V254 HydrophobicContact CZ-CG2 3.62Å; F240-V254 PolarHBondContact N-O 3.41Å; F240-V254 VanDerWaalsContact N-O 3.14Å; F240-V254 PolarHBondContact O-N 3.36Å
241	V	96.2	Very high	95.3	Very high	27 Å²	27	43.2 Å²	43.2	16%	0.164	22%	0.22	C	C	.	.			trans	-130.5	175.1	174.2	-64.3	0	0	0	0	109.7	G215 T253	G215-V241 WeakPolarHBondContact O-CG1 3.45Å; V241-T253 HydrophobicContact CG1-CG2 3.94Å
242	S	94.8	Very high	95.4	Very high	8 Å²	8	38.2 Å²	38.2	6%	0.056	20%	0.197	C	C	.	.			trans	-64	140.1	177.3	176.9	0	0	0	0	112.3	L244 G245 T248	S242-L244 PolarHBondContact O-N 2.02Å; S242-L244 WeakPolarHBondContact OG-CB 3.43Å; S242-L244 PolarHBondContact OG-N 2.57Å; S242-L244 VanDerWaalsContact OG-N 3.11Å; S242-G245 WeakPolarHBondContact CB-O 3.2Å; S242-G245 CarbonylContact O-C 3.42Å; S242-G245 PolarHBondContact O-N 3.14Å; S242-G245 VanDerWaalsContact O-N 3.16Å; S242-T248 PolarHBondContact OG-OG1 2.95Å
243	S	92.4	Very high	95.4	Very high	128 Å²	128	34.2 Å²	34.2	90%	0.895	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-18.1	170.6	55	0	0	0	0	113	G245	S243-G245 VanDerWaalsContact C-N 3.28Å
244	L	90.1	Very high	95.4	Very high	143 Å²	143	33.7 Å²	33.7	75%	0.749	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-16.6	174.5	-58.3	175.4	0	0	0	112.8	S242 T248	S242-L244 PolarHBondContact O-N 2.02Å; S242-L244 WeakPolarHBondContact OG-CB 3.43Å; S242-L244 PolarHBondContact OG-N 2.57Å; S242-L244 VanDerWaalsContact OG-N 3.11Å; L244-T248 HydrophobicContact CB-CG2 4.39Å; L244-T248 HydrophobicContact CD1-CG2 4.34Å
245	G	89	Confident	95.4	Very high	6 Å²	6	33.7 Å²	33.7	6%	0.062	18%	0.179	C	C	.	.			trans	144.2	158.3	-177.3	0	0	0	0	0	112.3	T170 S242 S243 T248	T170-G245 WeakPolarHBondContact OG1-CA 3.43Å; S242-G245 WeakPolarHBondContact CB-O 3.2Å; S242-G245 CarbonylContact O-C 3.42Å; S242-G245 PolarHBondContact O-N 3.14Å; S242-G245 VanDerWaalsContact O-N 3.16Å; S243-G245 VanDerWaalsContact C-N 3.28Å; G245-T248 PolarHBondContact N-OG1 2.83Å; G245-T248 PolarHBondContact O-OG1 2.95Å
246	C	87.8	Confident	95.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-48.6	-173.9	-66.7	0	0	0	0	112.6	V35 T170 S214 G215 C216 Q217 T248	V35-C246 HydrophobicContact CG2-CB 3.87Å; T170-C246 PolarHBondContact OG1-N 3.44Å; T170-C246 VanDerWaalsContact OG1-N 3.1Å; S214-C246 WeakPolarHBondContact CB-O 3.43Å; S214-C246 PolarHBondContact OG-O 2.73Å; G215-C246 WeakPolarHBondContact O-CB 3.29Å; C216-C246 WeakPolarHBondContact CA-SG 3.27Å; C216-C246 HydrophobicContact CB-CB 3.7Å; C216-C246 WeakPolarHBondContact CB-SG 3.41Å; C216-C246 WeakPolarHBondContact SG-CB 3.47Å; C216-C246 CovalentContact SG-SG 2.04Å; C216-C246 PolarHBondContact SG-SG 3.41Å; Q217-C246 PolarHBondContact OE1-SG 2.69Å; C246-T248 PolarHBondContact O-N 3.16Å
247	N	88.4	Confident	95.4	Very high	71 Å²	71	35.3 Å²	35.3	38%	0.38	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	45.2	-178.5	63.8	-30.9	0	0	0	113.2	V35 S212 S214 Y249	V35-N247 HydrophobicContact CB-CB 4.36Å; V35-N247 HydrophobicContact CG1-CB 3.62Å; V35-N247 VanDerWaalsContact CG1-CG 3.41Å; V35-N247 WeakPolarHBondContact CG1-ND2 3.12Å; S212-N247 WeakPolarHBondContact O-CB 3.1Å; S214-N247 WeakPolarHBondContact OG-CA 3.41Å; S214-N247 PolarHBondContact OG-N 3.37Å; N247-Y249 PolarHBondContact O-N 3.34Å
248	T	92.5	Very high	95.4	Very high	29 Å²	29	35.3 Å²	35.3	18%	0.178	19%	0.185	C	C	.	.			trans	-73	125.1	177.3	-60.2	0	0	0	0	110.2	S242 L244 G245 C246 Q250 K251	S242-T248 PolarHBondContact OG-OG1 2.95Å; L244-T248 HydrophobicContact CB-CG2 4.39Å; L244-T248 HydrophobicContact CD1-CG2 4.34Å; G245-T248 PolarHBondContact N-OG1 2.83Å; G245-T248 PolarHBondContact O-OG1 2.95Å; C246-T248 PolarHBondContact O-N 3.16Å; T248-Q250 PolarHBondContact O-N 3.21Å; T248-K251 HydrophobicContact CG2-CB 4.01Å; T248-K251 HydrophobicContact CG2-CG 3.69Å; T248-K251 WeakPolarHBondContact O-CB 3.25Å; T248-K251 PolarHBondContact O-N 3.2Å
249	Y	94.1	Very high	95.4	Very high	144 Å²	144	35.2 Å²	35.2	57%	0.565	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	135.1	177.7	-176.5	-108.8	0	0	0	112	Y211 N247 K251	Y211-Y249 HydrophobicContact CD1-CD2 4.2Å; Y211-Y249 AromaticContact CD1-CE2 3.79Å; Y211-Y249 HydrophobicContact CD1-CE2 3.79Å; Y211-Y249 AromaticContact CE1-CE2 3.92Å; Y211-Y249 HydrophobicContact CE1-CE2 3.92Å; N247-Y249 PolarHBondContact O-N 3.34Å; Y249-K251 PolarHBondContact O-N 2.04Å; Y249-K251 VanDerWaalsContact O-N 3.11Å
250	Q	95.5	Very high	95.4	Very high	61 Å²	61	36.9 Å²	36.9	29%	0.285	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	19.4	-175.4	-66.2	173.9	-19.2	0	0	114.6	W196 G210 T248 P252	W196-Q250 WeakPolarHBondContact CA-O 3.49Å; W196-Q250 HydrophobicContact CD2-CB 4.03Å; W196-Q250 HydrophobicContact CD2-CG 4.26Å; W196-Q250 HydrophobicContact CE3-CB 4.18Å; W196-Q250 HydrophobicContact CG-CB 4.41Å; W196-Q250 HydrophobicContact CH2-CG 4.39Å; W196-Q250 HydrophobicContact CZ2-CG 4.06Å; G210-Q250 PolarHBondContact O-N 3.33Å; T248-Q250 PolarHBondContact O-N 3.21Å; Q250-P252 WeakPolarHBondContact O-CD 3.37Å
251	K	97.6	Very high	95.5	Very high	44 Å²	44	35.9 Å²	35.9	19%	0.191	19%	0.194	C	C	.	.			trans	-121.4	69.8	167.2	-61.9	-68.7	172.5	-74	0	108.5	G195 W196 W197 T248 Y249	G195-K251 PolarHBondContact O-NZ 3.26Å; W196-K251 WeakPolarHBondContact O-CE 3.21Å; W196-K251 PolarHBondContact O-NZ 3.1Å; W197-K251 HydrophobicContact CD2-CD 3.76Å; W197-K251 HydrophobicContact CE3-CD 3.84Å; W197-K251 HydrophobicContact CG-CD 4.39Å; W197-K251 HydrophobicContact CH2-CB 4.41Å; W197-K251 HydrophobicContact CH2-CD 4.15Å; W197-K251 HydrophobicContact CZ2-CB 3.78Å; W197-K251 HydrophobicContact CZ2-CD 4.03Å; W197-K251 HydrophobicContact CZ2-CG 4.44Å; W197-K251 HydrophobicContact CZ3-CD 4.03Å; T248-K251 HydrophobicContact CG2-CB 4.01Å; T248-K251 HydrophobicContact CG2-CG 3.69Å; T248-K251 WeakPolarHBondContact O-CB 3.25Å; T248-K251 PolarHBondContact O-N 3.2Å; Y249-K251 PolarHBondContact O-N 2.04Å; Y249-K251 VanDerWaalsContact O-N 3.11Å
252	P	97.9	Very high	95.6	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.006	19%	0.192	C	C	.	.			trans	-54.2	151.9	178	24.6	-35.2	0	0	0	110.7	V186 W196 W197 C207 A208 Q250 V254	V186-P252 HydrophobicContact CB-CG 4.47Å; V186-P252 HydrophobicContact CG2-CB 4.22Å; V186-P252 HydrophobicContact CG2-CG 4.33Å; W196-P252 HydrophobicContact CE3-CG 3.95Å; W196-P252 HydrophobicContact CZ3-CG 3.96Å; W197-P252 PolarHBondContact NE1-O 3.17Å; C207-P252 HydrophobicContact CB-CB 4.13Å; C207-P252 HydrophobicContact CB-CG 3.77Å; A208-P252 VanDerWaalsContact O-CB 3.23Å; A208-P252 WeakPolarHBondContact O-CB 3.38Å; Q250-P252 WeakPolarHBondContact O-CD 3.37Å; P252-V254 PolarHBondContact O-N 2.93Å
253	T	98.4	Very high	95.8	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	134.3	170.7	-55.5	0	0	0	0	108.7	I162 C207 A208 G215 T238 V241 F255	I162-T253 HydrophobicContact CD1-CG2 4.47Å; C207-T253 WeakPolarHBondContact CA-O 3.46Å; A208-T253 PolarHBondContact N-O 2.81Å; A208-T253 PolarHBondContact O-N 3.01Å; A208-T253 VanDerWaalsContact O-N 3.09Å; G215-T253 PolarHBondContact N-OG1 3.23Å; T238-T253 HydrophobicContact CG2-CG2 4.12Å; V241-T253 HydrophobicContact CG1-CG2 3.94Å; T253-F255 HydrophobicContact CG2-CD2 4.36Å; T253-F255 HydrophobicContact CG2-CE1 4.09Å; T253-F255 HydrophobicContact CG2-CE2 3.62Å; T253-F255 HydrophobicContact CG2-CZ 3.46Å; T253-F255 VanDerWaalsContact CG2-CZ 3.46Å; T253-F255 WeakPolarHBondContact O-CD2 3.46Å; T253-F255 VanDerWaalsContact O-CE2 3.27Å; T253-F255 WeakPolarHBondContact O-CE2 3.48Å
254	V	98.7	Very high	96.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	133.1	-179.3	-175.8	0	0	0	0	109.6	W197 V201 M205 S239 F240 P252	W197-V254 HydrophobicContact CD2-CG2 4.38Å; W197-V254 HydrophobicContact CG-CG2 4.4Å; W197-V254 HydrophobicContact CZ2-CG2 4.24Å; V201-V254 HydrophobicContact CG2-CG1 4.09Å; V201-V254 HydrophobicContact CG2-CG2 3.86Å; M205-V254 HydrophobicContact CB-CG1 3.86Å; M205-V254 HydrophobicContact CG-CG1 4.08Å; M205-V254 HydrophobicContact SD-CG1 3.78Å; S239-V254 WeakPolarHBondContact CB-O 3.47Å; S239-V254 PolarHBondContact N-O 3.36Å; F240-V254 HydrophobicContact CD1-CB 4.07Å; F240-V254 HydrophobicContact CD1-CG1 4.22Å; F240-V254 HydrophobicContact CD2-CB 4.06Å; F240-V254 HydrophobicContact CD2-CG2 4.15Å; F240-V254 HydrophobicContact CE1-CB 3.71Å; F240-V254 HydrophobicContact CE1-CG1 3.49Å; F240-V254 VanDerWaalsContact CE1-CG1 3.49Å; F240-V254 HydrophobicContact CE1-CG2 4.34Å; F240-V254 HydrophobicContact CE2-CB 3.69Å; F240-V254 HydrophobicContact CE2-CG1 4.2Å; F240-V254 HydrophobicContact CE2-CG2 3.5Å; F240-V254 VanDerWaalsContact CE2-CG2 3.5Å; F240-V254 HydrophobicContact CG-CB 4.24Å; F240-V254 HydrophobicContact CZ-CB 3.51Å; F240-V254 HydrophobicContact CZ-CG1 3.48Å; F240-V254 VanDerWaalsContact CZ-CG1 3.48Å; F240-V254 HydrophobicContact CZ-CG2 3.62Å; F240-V254 PolarHBondContact N-O 3.41Å; F240-V254 VanDerWaalsContact N-O 3.14Å; F240-V254 PolarHBondContact O-N 3.36Å; P252-V254 PolarHBondContact O-N 2.93Å
255	F	98.9	Very high	96.5	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	146	-177.9	-54.3	-100.1	0	0	0	109.5	I162 L183 M205 V206 A208 L224 V237 T238 T253 R257	I162-F255 HydrophobicContact CB-CZ 4.41Å; I162-F255 HydrophobicContact CD1-CE1 3.9Å; I162-F255 HydrophobicContact CD1-CZ 3.94Å; I162-F255 HydrophobicContact CG1-CE1 4.12Å; I162-F255 HydrophobicContact CG1-CZ 4.31Å; L183-F255 HydrophobicContact CD1-CZ 4.24Å; M205-F255 CarbonylContact C-O 3.59Å; M205-F255 WeakPolarHBondContact CA-O 3.47Å; M205-F255 WeakPolarHBondContact CB-O 3.45Å; V206-F255 HydrophobicContact CB-CB 4.44Å; V206-F255 PolarHBondContact N-O 2.88Å; V206-F255 PolarHBondContact O-N 3.48Å; A208-F255 HydrophobicContact CB-CD2 4.47Å; A208-F255 HydrophobicContact CB-CE2 3.82Å; L224-F255 HydrophobicContact CB-CD1 3.65Å; L224-F255 HydrophobicContact CB-CE1 3.71Å; L224-F255 HydrophobicContact CB-CG 4.11Å; L224-F255 HydrophobicContact CB-CZ 4.19Å; L224-F255 HydrophobicContact CD1-CE1 4.18Å; L224-F255 HydrophobicContact CD1-CE2 4.11Å; L224-F255 HydrophobicContact CD1-CZ 3.82Å; L224-F255 HydrophobicContact CD2-CD1 4.48Å; L224-F255 HydrophobicContact CD2-CD2 3.9Å; L224-F255 HydrophobicContact CD2-CE2 4.07Å; L224-F255 HydrophobicContact CD2-CG 4.14Å; L224-F255 HydrophobicContact CD2-CZ 4.43Å; L224-F255 HydrophobicContact CG-CE1 4.38Å; L224-F255 HydrophobicContact CG-CE2 4.48Å; L224-F255 HydrophobicContact CG-CZ 4.37Å; V237-F255 CarbonylContact O-C 3.51Å; V237-F255 WeakPolarHBondContact O-CA 3.49Å; V237-F255 WeakPolarHBondContact O-CB 3.3Å; T238-F255 VanDerWaalsContact CA-CD1 3.44Å; T238-F255 HydrophobicContact CG2-CE1 4.28Å; T238-F255 VanDerWaalsContact OG1-CE1 3.31Å; T238-F255 WeakPolarHBondContact OG1-CE1 3.37Å; T253-F255 HydrophobicContact CG2-CD2 4.36Å; T253-F255 HydrophobicContact CG2-CE1 4.09Å; T253-F255 HydrophobicContact CG2-CE2 3.62Å; T253-F255 HydrophobicContact CG2-CZ 3.46Å; T253-F255 VanDerWaalsContact CG2-CZ 3.46Å; T253-F255 WeakPolarHBondContact O-CD2 3.46Å; T253-F255 VanDerWaalsContact O-CE2 3.27Å; T253-F255 WeakPolarHBondContact O-CE2 3.48Å; F255-R257 PolarHBondContact O-N 2.92Å
256	T	98.9	Very high	96.9	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.012	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	128.2	163.5	-60.3	0	0	0	0	108.9	D126 I127 G236 V237 V258 Y261	D126-T256 WeakPolarHBondContact O-CB 3.49Å; D126-T256 PolarHBondContact O-OG1 2.9Å; I127-T256 HydrophobicContact CB-CG2 4.14Å; G236-T256 WeakPolarHBondContact CA-O 3.26Å; V237-T256 PolarHBondContact N-O 3.17Å; V237-T256 PolarHBondContact O-N 2.64Å; T256-V258 PolarHBondContact O-N 3.22Å; T256-Y261 HydrophobicContact CG2-CD2 3.64Å; T256-Y261 HydrophobicContact CG2-CE2 3.23Å
257	R	98.9	Very high	97.4	Very high	34 Å²	34	35.6 Å²	35.6	13%	0.128	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	104.1	-177.9	-175.3	167.5	58.6	80	-4	110.6	S203 S204 V206 F255 S259 A260 Y261	S203-R257 VanDerWaalsContact O-CZ 3.3Å; S203-R257 PolarHBondContact O-NE 3.13Å; S203-R257 PolarHBondContact O-NH2 3.17Å; S204-R257 WeakPolarHBondContact O-CB 3.35Å; S204-R257 PolarHBondContact O-N 2.73Å; V206-R257 HydrophobicContact CG2-CB 3.69Å; V206-R257 HydrophobicContact CG2-CG 3.6Å; F255-R257 PolarHBondContact O-N 2.92Å; R257-S259 WeakPolarHBondContact CG-OG 3.19Å; R257-S259 PolarHBondContact NH1-OG 3.09Å; R257-S259 PolarHBondContact O-N 2.86Å; R257-S259 VanDerWaalsContact O-N 3.15Å; R257-A260 HydrophobicContact CB-CB 4.48Å; R257-A260 VanDerWaalsContact O-CB 3.28Å; R257-A260 WeakPolarHBondContact O-CB 3.38Å; R257-A260 PolarHBondContact O-N 3.07Å; R257-Y261 VanDerWaalsContact O-CD2 3.3Å; R257-Y261 WeakPolarHBondContact O-CD2 3.43Å
258	V	98.9	Very high	97.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-53.4	-41.3	-174.9	175.4	0	0	0	0	112.6	M74 L147 P148 H235 V237 T256 A260 Y261 I262 M265	M74-V258 HydrophobicContact CE-CG1 4.21Å; M74-V258 HydrophobicContact CE-CG2 3.71Å; M74-V258 HydrophobicContact SD-CG1 4.02Å; M74-V258 HydrophobicContact SD-CG2 3.92Å; L147-V258 HydrophobicContact CD2-CG1 4.03Å; P148-V258 HydrophobicContact CG-CB 4.13Å; P148-V258 HydrophobicContact CG-CG1 4.04Å; H235-V258 PolarHBondContact O-N 2.92Å; V237-V258 HydrophobicContact CG2-CG2 3.9Å; T256-V258 PolarHBondContact O-N 3.22Å; V258-A260 PolarHBondContact O-N 3.06Å; V258-A260 VanDerWaalsContact O-N 3.1Å; V258-Y261 PolarHBondContact O-N 3.31Å; V258-I262 HydrophobicContact CG1-CD1 4.21Å; V258-I262 PolarHBondContact O-N 3.11Å; V258-M265 HydrophobicContact CG1-CE 3.88Å
259	S	98.9	Very high	98	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-61.6	-20	179.9	63.2	0	0	0	0	114	P149 G151 Q152 R257 Y261	P149-S259 VanDerWaalsContact O-CB 3.29Å; P149-S259 WeakPolarHBondContact O-CB 3.43Å; G151-S259 PolarHBondContact N-O 2.98Å; Q152-S259 WeakPolarHBondContact O-CB 3.27Å; Q152-S259 PolarHBondContact O-OG 3.13Å; R257-S259 WeakPolarHBondContact CG-OG 3.19Å; R257-S259 PolarHBondContact NH1-OG 3.09Å; R257-S259 PolarHBondContact O-N 2.86Å; R257-S259 VanDerWaalsContact O-N 3.15Å; S259-Y261 VanDerWaalsContact C-N 3.28Å
260	A	98.8	Very high	97.2	Very high	43 Å²	43	32.7 Å²	32.7	36%	0.355	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-76.2	-16.7	174.4	0	0	0	0	0	113.1	R257 V258	R257-A260 HydrophobicContact CB-CB 4.48Å; R257-A260 VanDerWaalsContact O-CB 3.28Å; R257-A260 WeakPolarHBondContact O-CB 3.38Å; R257-A260 PolarHBondContact O-N 3.07Å; V258-A260 PolarHBondContact O-N 3.06Å; V258-A260 VanDerWaalsContact O-N 3.1Å
261	Y	98.8	Very high	97.3	Very high	11 Å²	11	31.3 Å²	31.3	4%	0.043	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.9	3.7	-169.4	-65.9	-81.7	0	0	0	113.7	H113 Y125 I127 T256 R257 V258 S259 S263 W264 M265	H113-Y261 AromaticContact CD2-CD1 3.64Å; H113-Y261 AromaticContact CD2-CE1 3.68Å; H113-Y261 AromaticContact NE2-CD1 3.89Å; H113-Y261 AromaticContact NE2-CE1 3.74Å; Y125-Y261 WeakPolarHBondContact CA-OH 3.44Å; Y125-Y261 AromaticContact CD1-CE1 3.81Å; Y125-Y261 HydrophobicContact CD1-CE1 3.81Å; Y125-Y261 WeakPolarHBondContact CD1-OH 3.42Å; Y125-Y261 HydrophobicContact CE1-CE1 4.42Å; Y125-Y261 PolarHBondContact N-OH 2.9Å; I127-Y261 HydrophobicContact CD1-CD2 4.37Å; I127-Y261 HydrophobicContact CD1-CG 4.12Å; I127-Y261 HydrophobicContact CG2-CD1 3.79Å; I127-Y261 HydrophobicContact CG2-CD2 4.48Å; I127-Y261 HydrophobicContact CG2-CE1 4.03Å; I127-Y261 HydrophobicContact CG2-CG 4.04Å; T256-Y261 HydrophobicContact CG2-CD2 3.64Å; T256-Y261 HydrophobicContact CG2-CE2 3.23Å; R257-Y261 VanDerWaalsContact O-CD2 3.3Å; R257-Y261 WeakPolarHBondContact O-CD2 3.43Å; V258-Y261 PolarHBondContact O-N 3.31Å; S259-Y261 VanDerWaalsContact C-N 3.28Å; Y261-S263 VanDerWaalsContact C-N 3.3Å; Y261-S263 PolarHBondContact O-N 3.49Å; Y261-W264 PolarHBondContact O-N 2.79Å; Y261-W264 VanDerWaalsContact O-N 3.1Å; Y261-M265 WeakPolarHBondContact O-CG 3.49Å; Y261-M265 PolarHBondContact O-N 3.3Å
262	I	98.8	Very high	97.3	Very high	22 Å²	22	30.6 Å²	30.6	11%	0.113	22%	0.215	C	C	.	.	H	α-helix	trans	-53.4	-46.4	-179.7	-61	-63.4	0	0	0	111.8	L147 P148 V258 W264 M265 N266	L147-I262 HydrophobicContact CB-CD1 4.07Å; L147-I262 HydrophobicContact CD1-CD1 4.39Å; P148-I262 VanDerWaalsContact O-CD1 3.28Å; P148-I262 WeakPolarHBondContact O-CD1 3.09Å; V258-I262 HydrophobicContact CG1-CD1 4.21Å; V258-I262 PolarHBondContact O-N 3.11Å; I262-W264 PolarHBondContact O-N 2.97Å; I262-M265 HydrophobicContact CD1-CE 3.76Å; I262-M265 PolarHBondContact O-N 3.44Å; I262-N266 WeakPolarHBondContact O-CB 3.25Å; I262-N266 VanDerWaalsContact O-CG 3.31Å; I262-N266 PolarHBondContact O-N 3.4Å; I262-N266 PolarHBondContact O-ND2 3.43Å
263	S	98.4	Very high	97.3	Very high	95 Å²	95	32.2 Å²	32.2	66%	0.664	23%	0.227	S	C	*	.	H	α-helix	trans	-63.5	-41.2	179.5	-170.7	0	0	0	0	112.5	Y261 G267	Y261-S263 VanDerWaalsContact C-N 3.3Å; Y261-S263 PolarHBondContact O-N 3.49Å; S263-G267 PolarHBondContact O-N 3.49Å; S263-G267 VanDerWaalsContact O-N 3.1Å
264	W	98.7	Very high	97.2	Very high	45 Å²	45	34.1 Å²	34.1	17%	0.17	24%	0.24	C	C	.	.	H	α-helix	trans	-65.5	-48	177.5	166.7	78.3	0	0	0	110.7	H113 I127 L129 Y261 I262 N266 G267 I268	H113-W264 HydrophobicContact CB-CH2 4.35Å; H113-W264 HydrophobicContact CB-CZ2 3.96Å; H113-W264 AromaticContact CD2-CD1 3.76Å; H113-W264 AromaticContact CD2-CD2 3.55Å; H113-W264 AromaticContact CD2-CE2 3.66Å; H113-W264 AromaticContact CD2-CG 3.64Å; H113-W264 AromaticContact CD2-NE1 3.76Å; H113-W264 AromaticContact NE2-CD1 4Å; H113-W264 AromaticContact NE2-CG 4Å; I127-W264 HydrophobicContact CB-CZ3 4.39Å; I127-W264 HydrophobicContact CD1-CZ3 4.03Å; I127-W264 HydrophobicContact CG1-CZ3 3.92Å; I127-W264 HydrophobicContact CG2-CE3 4.18Å; I127-W264 HydrophobicContact CG2-CH2 4.15Å; I127-W264 HydrophobicContact CG2-CZ3 3.74Å; L129-W264 HydrophobicContact CD1-CH2 4.46Å; L129-W264 HydrophobicContact CD1-CZ3 4.4Å; L129-W264 HydrophobicContact CG-CH2 3.89Å; L129-W264 HydrophobicContact CG-CZ3 3.97Å; Y261-W264 PolarHBondContact O-N 2.79Å; Y261-W264 VanDerWaalsContact O-N 3.1Å; I262-W264 PolarHBondContact O-N 2.97Å; W264-N266 VanDerWaalsContact C-N 3.34Å; W264-N266 PolarHBondContact O-N 3.11Å; W264-G267 PolarHBondContact O-N 3.19Å; W264-G267 VanDerWaalsContact O-N 3.14Å; W264-I268 HydrophobicContact CZ2-CG1 4.37Å; W264-I268 PolarHBondContact O-N 3.2Å
265	M	98.6	Very high	97.1	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-60	-44.1	179.8	-70.1	-167.9	-68.8	0	0	112	I68 M74 I127 L129 L147 V258 Y261 I262 G267 I268 M269	I68-M265 HydrophobicContact CD1-SD 4.38Å; M74-M265 HydrophobicContact CG-SD 4.26Å; M74-M265 HydrophobicContact SD-CE 4.19Å; M74-M265 HydrophobicContact SD-SD 3.64Å; M74-M265 VanDerWaalsContact SD-SD 3.64Å; I127-M265 HydrophobicContact CD1-SD 4.06Å; L129-M265 HydrophobicContact CD1-CB 4.01Å; L129-M265 HydrophobicContact CD1-CG 4.04Å; L129-M265 HydrophobicContact CD2-CG 4.09Å; L129-M265 HydrophobicContact CD2-SD 3.95Å; L129-M265 HydrophobicContact CG-CG 4.28Å; L147-M265 HydrophobicContact CD1-CE 3.96Å; V258-M265 HydrophobicContact CG1-CE 3.88Å; Y261-M265 WeakPolarHBondContact O-CG 3.49Å; Y261-M265 PolarHBondContact O-N 3.3Å; I262-M265 HydrophobicContact CD1-CE 3.76Å; I262-M265 PolarHBondContact O-N 3.44Å; M265-G267 VanDerWaalsContact C-N 3.33Å; M265-G267 PolarHBondContact O-N 3.46Å; M265-I268 PolarHBondContact O-N 3.09Å; M265-M269 HydrophobicContact CB-CE 4.09Å; M265-M269 WeakPolarHBondContact O-CG 3.15Å; M265-M269 PolarHBondContact O-N 3.32Å
266	N	97.9	Very high	97	Very high	78 Å²	78	38.6 Å²	38.6	42%	0.417	27%	0.271	S	S	.	.	H	α-helix	trans	-63.1	-39.7	176.6	-72.9	-18	0	0	0	112.1	I262 W264 I268 M269 G270	I262-N266 WeakPolarHBondContact O-CB 3.25Å; I262-N266 VanDerWaalsContact O-CG 3.31Å; I262-N266 PolarHBondContact O-N 3.4Å; I262-N266 PolarHBondContact O-ND2 3.43Å; W264-N266 VanDerWaalsContact C-N 3.34Å; W264-N266 PolarHBondContact O-N 3.11Å; N266-I268 PolarHBondContact O-N 3.3Å; N266-M269 PolarHBondContact O-N 3.16Å; N266-G270 PolarHBondContact O-N 2.77Å; N266-G270 VanDerWaalsContact O-N 3.13Å
267	G	98	Very high	96.8	Very high	66 Å²	66	41.2 Å²	41.2	68%	0.68	29%	0.29	S	S	*	.	H	α-helix	trans	-62.7	-26.9	176.4	0	0	0	0	0	114	S263 W264 M265	S263-G267 PolarHBondContact O-N 3.49Å; S263-G267 VanDerWaalsContact O-N 3.1Å; W264-G267 PolarHBondContact O-N 3.19Å; W264-G267 VanDerWaalsContact O-N 3.14Å; M265-G267 VanDerWaalsContact C-N 3.33Å; M265-G267 PolarHBondContact O-N 3.46Å
268	I	97.9	Very high	96.7	Very high	53 Å²	53	41.8 Å²	41.8	27%	0.272	30%	0.302	S	S	.	.	H	α-helix	trans	-82.9	-41.5	174.8	-62.8	-59.8	0	0	0	111.9	W72 Y111 L129 W264 M265 N266	W72-I268 HydrophobicContact CH2-CG2 3.81Å; W72-I268 HydrophobicContact CZ3-CG2 3.84Å; Y111-I268 HydrophobicContact CD1-CD1 4.14Å; Y111-I268 HydrophobicContact CD1-CG2 3.62Å; Y111-I268 HydrophobicContact CD2-CG2 4.04Å; Y111-I268 HydrophobicContact CE1-CG2 3.97Å; Y111-I268 HydrophobicContact CE2-CG2 4.39Å; Y111-I268 HydrophobicContact CG-CG2 3.64Å; L129-I268 HydrophobicContact CD1-CB 3.93Å; L129-I268 HydrophobicContact CD1-CG2 3.9Å; W264-I268 HydrophobicContact CZ2-CG1 4.37Å; W264-I268 PolarHBondContact O-N 3.2Å; M265-I268 PolarHBondContact O-N 3.09Å; N266-I268 PolarHBondContact O-N 3.3Å
269	M	95.1	Very high	96.5	Very high	22 Å²	22	45.3 Å²	45.3	11%	0.108	33%	0.328	C	S	.	.	H	α-helix	trans	-79.2	-20.5	-172.3	-68.8	-172.4	-69.4	0	0	114.6	I68 R69 W72 L129 M265 N266	I68-M269 HydrophobicContact CD1-CE 3.93Å; I68-M269 HydrophobicContact CD1-SD 3.61Å; I68-M269 HydrophobicContact CG1-SD 4.26Å; R69-M269 HydrophobicContact CG-SD 4Å; W72-M269 HydrophobicContact CB-SD 3.95Å; W72-M269 HydrophobicContact CD2-CG 3.69Å; W72-M269 HydrophobicContact CD2-SD 4.17Å; W72-M269 HydrophobicContact CE3-CG 3.97Å; W72-M269 HydrophobicContact CG-CG 3.99Å; W72-M269 HydrophobicContact CG-SD 3.87Å; W72-M269 HydrophobicContact CH2-CG 4.47Å; W72-M269 HydrophobicContact CZ2-CB 4.48Å; W72-M269 HydrophobicContact CZ2-CG 4.25Å; W72-M269 HydrophobicContact CZ3-CG 4.35Å; L129-M269 HydrophobicContact CD1-CG 3.97Å; L129-M269 HydrophobicContact CD1-SD 4.49Å; M265-M269 HydrophobicContact CB-CE 4.09Å; M265-M269 WeakPolarHBondContact O-CG 3.15Å; M265-M269 PolarHBondContact O-N 3.32Å; N266-M269 PolarHBondContact O-N 3.16Å
270	G	78.3	Confident	96.3	Very high	107 Å²	107	49.4 Å²	49.4	100%	1.103	36%	0.357	S	S	*	.			trans	76.3	0	-172.9	0	0	0	0	0	113.5	R69 N266	R69-G270 PolarHBondContact NH1-O 2.79Å; N266-G270 PolarHBondContact O-N 2.77Å; N266-G270 VanDerWaalsContact O-N 3.13Å

Retrieved 270 of 270 residues in 1236.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).