A0A3B3U4I1_9TELE Loading...

Peptidyl-prolyl cis-trans isomerase

PPIase that catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides and may therefore assist protein folding. PPIases accelerate the folding of proteins. It catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides.

AlphaFold DB , UniProt , Accession A0A3B3U4I1, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 216 aa.

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(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	M	50.1	Low	48.9	Very low	243 Å²	243	183.5 Å²	183.5	100%	1.197	84%	0.837	S	S	*	*				0	58.3	0	-164.8	158.7	107	0	0	110.4
2	V	49.3	Very low	48.4	Very low	142 Å²	142	182.1 Å²	182.1	86%	0.861	83%	0.828	S	S	*	*			trans	-152	68.2	-178.7	-171.3	0	0	0	0	108.5
3	R	51.9	Low	48.4	Very low	253 Å²	253	175.2 Å²	175.2	96%	0.955	81%	0.807	S	S	*	*	S	Bend	trans	-146.6	12	174.3	-90	-161.7	178.6	174.8	-0.9	115.2
4	F	47.7	Very low	48.4	Very low	183 Å²	183	166.5 Å²	166.5	80%	0.803	78%	0.781	S	S	*	*	S	Bend	trans	-111.8	-7.9	-177.8	-145.2	-97.7	0	0	0	114.7
5	C	49.7	Very low	48.4	Very low	118 Å²	118	161.1 Å²	161.1	80%	0.797	76%	0.764	S	S	*	*	S	Bend	trans	-102.8	-5.1	-168.7	-141.9	0	0	0	0	116.1
6	E	47.7	Very low	48.2	Very low	173 Å²	173	157.3 Å²	157.3	81%	0.808	75%	0.754	S	S	*	*	S	Bend	trans	-97.2	-13.4	-178.4	-82.6	-172.1	139.6	0	0	114.9
7	R	50.2	Low	48.1	Very low	228 Å²	228	153.5 Å²	153.5	86%	0.86	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	-18.1	-173.7	-117.3	178	173.1	-165.8	-2.9	114.6
8	R	49.3	Very low	48.1	Very low	203 Å²	203	150.8 Å²	150.8	77%	0.766	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-22.8	178.3	-77.9	-169.3	173.9	-169.4	-1	114.1
9	M	48.8	Very low	48.1	Very low	140 Å²	140	147.8 Å²	147.8	69%	0.69	72%	0.723	S	S	*	*	H	α-helix	trans	-77.2	-31.3	-178	-158.2	116.2	69.5	0	0	113	V13	M9-V13 WeakPolarHBondContact O-CG2 3.17Å
10	K	46.3	Very low	47.8	Very low	173 Å²	173	143.1 Å²	143.1	75%	0.752	72%	0.715	S	S	*	*	H	α-helix	trans	-74	-24.6	178.6	-68	-177	178	177.7	0	113.5
11	F	46.5	Very low	47.8	Very low	163 Å²	163	140.1 Å²	140.1	72%	0.715	71%	0.708	S	S	*	*	H	α-helix	trans	-79.7	-34.1	178.2	-120.9	-91.3	0	0	0	112.4
12	F	43.8	Very low	47.5	Very low	166 Å²	166	134.5 Å²	134.5	73%	0.728	68%	0.682	S	S	*	*	H	α-helix	trans	-74.7	-30.4	179.8	-102.6	-88.4	0	0	0	113.7	T16	F12-T16 PolarHBondContact O-OG1 2.92Å; F12-T16 VanDerWaalsContact O-OG1 3.08Å
13	V	48.6	Very low	47.4	Very low	92 Å²	92	134.6 Å²	134.6	56%	0.558	68%	0.676	S	S	*	*	H	α-helix	trans	-74.9	-28.5	177.2	177.6	0	0	0	0	112	M9 T16 V17	M9-V13 WeakPolarHBondContact O-CG2 3.17Å; V13-T16 PolarHBondContact O-OG1 3.42Å; V13-V17 WeakPolarHBondContact O-CG2 3.16Å
14	A	47.4	Very low	47.1	Very low	54 Å²	54	131.5 Å²	131.5	45%	0.446	67%	0.67	S	S	.	*	H	α-helix	trans	-74.5	-29.4	178.5	0	0	0	0	0	113.3	I18	A14-I18 WeakPolarHBondContact O-CG1 3.47Å
15	V	48.2	Very low	47.1	Very low	86 Å²	86	130.2 Å²	130.2	52%	0.521	67%	0.671	S	S	.	*	H	α-helix	trans	-82.4	-31.9	-177.2	177.3	0	0	0	0	112.1	I18 V19	V15-I18 PolarHBondContact O-N 3.4Å; V15-V19 PolarHBondContact O-N 3.45Å
16	T	45.4	Very low	46.9	Very low	100 Å²	100	127.5 Å²	127.5	61%	0.613	66%	0.663	S	S	*	*	H	α-helix	trans	-73.1	-25.3	175.7	35.9	0	0	0	0	113.6	F12 V13 G20	F12-T16 PolarHBondContact O-OG1 2.92Å; F12-T16 VanDerWaalsContact O-OG1 3.08Å; V13-T16 PolarHBondContact O-OG1 3.42Å; T16-G20 PolarHBondContact O-N 3.3Å
17	V	46.5	Very low	47	Very low	92 Å²	92	127.9 Å²	127.9	56%	0.558	66%	0.662	S	S	*	*	H	α-helix	trans	-74.1	-33.5	174	176.3	0	0	0	0	111.6	V13 G20 S21	V13-V17 WeakPolarHBondContact O-CG2 3.16Å; V17-G20 PolarHBondContact O-N 2.72Å; V17-S21 PolarHBondContact O-N 2.94Å; V17-S21 PolarHBondContact O-OG 3.42Å; V17-S21 VanDerWaalsContact O-OG 3.05Å
18	I	48.4	Very low	46.9	Very low	106 Å²	106	122.8 Å²	122.8	54%	0.544	66%	0.659	S	S	.	*	H	α-helix	trans	-75.4	-30.9	-178.7	-65.1	170.6	0	0	0	112.2	A14 V15 L22	A14-I18 WeakPolarHBondContact O-CG1 3.47Å; V15-I18 PolarHBondContact O-N 3.4Å; I18-L22 HydrophobicContact CG2-CD1 4.36Å
19	V	47.5	Very low	46.9	Very low	93 Å²	93	120.6 Å²	120.6	56%	0.564	66%	0.662	S	S	*	*	H	α-helix	trans	-77.1	-26.8	176.6	-178.3	0	0	0	0	112.1	V15	V15-V19 PolarHBondContact O-N 3.45Å
20	G	43.3	Very low	46.9	Very low	54 Å²	54	117 Å²	117	56%	0.557	66%	0.661	S	S	*	*	H	α-helix	trans	-74.2	-22.6	174.9	0	0	0	0	0	114.4	T16 V17	T16-G20 PolarHBondContact O-N 3.3Å; V17-G20 PolarHBondContact O-N 2.72Å
21	S	47.9	Very low	46.8	Very low	81 Å²	81	111.5 Å²	111.5	57%	0.566	64%	0.644	S	S	*	*	H	α-helix	trans	-90.5	-11.4	-177.9	-51.9	0	0	0	0	114.5	V17	V17-S21 PolarHBondContact O-N 2.94Å; V17-S21 PolarHBondContact O-OG 3.42Å; V17-S21 VanDerWaalsContact O-OG 3.05Å
22	L	43.8	Very low	46.9	Very low	125 Å²	125	108 Å²	108	65%	0.654	64%	0.64	S	S	*	*	S	Bend	trans	-97	-7.7	-176.6	-83.7	160.3	0	0	0	114.6	I18	I18-L22 HydrophobicContact CG2-CD1 4.36Å
23	L	45.7	Very low	47	Very low	143 Å²	143	102.7 Å²	102.7	75%	0.749	63%	0.627	S	S	*	*	S	Bend	trans	-95.9	7.3	178.1	-83.1	163.7	0	0	0	114.7
24	F	46.3	Very low	47	Very low	188 Å²	188	103.3 Å²	103.3	83%	0.825	63%	0.627	S	S	*	*	S	Bend	trans	-112.2	14.3	179.8	-108.2	-82.7	0	0	0	115
25	L	47.3	Very low	47	Very low	156 Å²	156	106.8 Å²	106.8	82%	0.817	63%	0.634	S	S	*	*	S	Bend	trans	-109.3	16.7	179.7	-72.7	171.9	0	0	0	114.4
26	G	47	Very low	47	Very low	61 Å²	61	111.6 Å²	111.6	63%	0.629	65%	0.648	S	S	*	*			trans	-114.7	-5.1	-169.6	0	0	0	0	0	117.5
27	F	49.7	Very low	47.5	Very low	181 Å²	181	114.7 Å²	114.7	79%	0.794	65%	0.653	S	S	*	*	S	Bend	trans	-98.8	117	176.1	-71.4	-75	0	0	0	109.4	N29	F27-N29 PolarHBondContact O-N 3.32Å
28	P	48.1	Very low	48.9	Very low	121 Å²	121	115.6 Å²	115.6	79%	0.786	65%	0.649	S	S	*	*			trans	-59.9	108.7	164.4	24.8	-28.6	0	0	0	106	G30	P28-G30 PolarHBondContact O-N 3.37Å
29	N	47.5	Very low	50.9	Low	158 Å²	158	111 Å²	111	85%	0.845	63%	0.628	S	S	*	*			trans	-59.5	84.5	159.1	-97	-13.9	0	0	0	106	F27 S31	F27-N29 PolarHBondContact O-N 3.32Å; N29-S31 PolarHBondContact O-N 2.73Å
30	G	49.1	Very low	53.3	Low	64 Å²	64	106.9 Å²	106.9	66%	0.66	60%	0.604	S	S	*	*			trans	-58.9	94.9	158.5	0	0	0	0	0	105.4	P28 S32	P28-G30 PolarHBondContact O-N 3.37Å; G30-S32 PolarHBondContact O-N 2.9Å; G30-S32 VanDerWaalsContact O-N 3.09Å
31	S	45	Very low	55.9	Low	58 Å²	58	109.8 Å²	109.8	41%	0.406	60%	0.601	S	S	.	*			trans	-53.3	119.6	179.1	175.2	0	0	0	0	108.1	N29 A33 D34	N29-S31 PolarHBondContact O-N 2.73Å; S31-A33 PolarHBondContact O-N 2.71Å; S31-A33 VanDerWaalsContact OG-CB 3.31Å; S31-A33 WeakPolarHBondContact OG-CB 3.5Å; S31-A33 PolarHBondContact OG-N 3.49Å; S31-D34 PolarHBondContact O-N 2.81Å
32	S	48.7	Very low	58.3	Low	89 Å²	89	105.9 Å²	105.9	62%	0.622	57%	0.574	S	S	*	*	H	α-helix	trans	-57.8	-11.7	173.1	-52.8	0	0	0	0	112.5	G30 K36	G30-S32 PolarHBondContact O-N 2.9Å; G30-S32 VanDerWaalsContact O-N 3.09Å; S32-K36 WeakPolarHBondContact O-CG 3.3Å; S32-K36 PolarHBondContact O-N 2.73Å
33	A	45	Very low	60.9	Low	55 Å²	55	101.4 Å²	101.4	46%	0.455	55%	0.552	S	S	.	*	H	α-helix	trans	-72.2	-32.3	171	0	0	0	0	0	113	S31 K36 K37	S31-A33 PolarHBondContact O-N 2.71Å; S31-A33 VanDerWaalsContact OG-CB 3.31Å; S31-A33 WeakPolarHBondContact OG-CB 3.5Å; S31-A33 PolarHBondContact OG-N 3.49Å; A33-K36 PolarHBondContact O-N 3.25Å; A33-K37 PolarHBondContact O-N 2.69Å
34	D	49.3	Very low	63.4	Low	104 Å²	104	95 Å²	95	56%	0.556	52%	0.519	S	S	*	.	H	α-helix	trans	-77	-26.5	175.5	-81.4	-28.8	0	0	0	112.3	S31	S31-D34 PolarHBondContact O-N 2.81Å
35	E	47.7	Very low	65.9	Low	128 Å²	128	88 Å²	88	60%	0.598	49%	0.489	S	S	*	.	H	α-helix	trans	-68.2	-36.8	169.7	-72.9	-118.6	116.5	0	0	112.5	K37 K38	E35-K37 VanDerWaalsContact C-N 3.25Å; E35-K37 PolarHBondContact O-N 2.79Å; E35-K38 PolarHBondContact O-N 2.83Å; E35-K38 IonicContact OE1-NZ 2.69Å; E35-K38 PolarHBondContact OE1-NZ 3.33Å
36	K	47.8	Very low	68.4	Low	186 Å²	186	80.6 Å²	80.6	81%	0.809	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-14.4	178.6	-75.8	179.9	179.2	-179.7	0	114.1	S32 A33	S32-K36 WeakPolarHBondContact O-CG 3.3Å; S32-K36 PolarHBondContact O-N 2.73Å; A33-K36 PolarHBondContact O-N 3.25Å
37	K	55.3	Low	70.8	Confident	166 Å²	166	79.6 Å²	79.6	72%	0.722	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-5.9	174.9	-72.4	-175	178.8	178	0	114.4	A33 E35 G39	A33-K37 PolarHBondContact O-N 2.69Å; E35-K37 VanDerWaalsContact C-N 3.25Å; E35-K37 PolarHBondContact O-N 2.79Å; K37-G39 PolarHBondContact O-N 2.97Å
38	K	75.6	Confident	73.2	Confident	110 Å²	110	71 Å²	71	48%	0.478	39%	0.39	S	S	.	.			trans	-72	116	-179.6	-66.5	174.2	-170.2	170.2	0	109.2	E35 A212	E35-K38 PolarHBondContact O-N 2.83Å; E35-K38 IonicContact OE1-NZ 2.69Å; E35-K38 PolarHBondContact OE1-NZ 3.33Å; K38-A212 HydrophobicContact CB-CB 4.05Å; K38-A212 HydrophobicContact CG-CB 4.45Å
39	G	91.9	Very high	75.6	Confident	10 Å²	10	66.8 Å²	66.8	10%	0.103	36%	0.36	C	S	.	.			trans	-75.1	-164.6	172	0	0	0	0	0	112.3	K37 V213	K37-G39 PolarHBondContact O-N 2.97Å; G39-V213 CarbonylContact C-O 3.37Å; G39-V213 WeakPolarHBondContact CA-O 3.36Å; G39-V213 PolarHBondContact N-O 2.86Å
40	P	97.1	Very high	78	Confident	7 Å²	7	59.3 Å²	59.3	5%	0.045	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-61.3	149.4	-177.6	28	-34.6	0	0	0	111.4	F65 L130 W137 A212 V213	P40-F65 HydrophobicContact CB-CB 4.11Å; P40-F65 HydrophobicContact CB-CD1 3.62Å; P40-F65 HydrophobicContact CB-CD2 3.96Å; P40-F65 HydrophobicContact CB-CE1 3.95Å; P40-F65 HydrophobicContact CB-CE2 4.27Å; P40-F65 HydrophobicContact CB-CG 3.62Å; P40-F65 HydrophobicContact CB-CZ 4.26Å; P40-F65 HydrophobicContact CG-CD1 3.78Å; P40-F65 HydrophobicContact CG-CD2 3.91Å; P40-F65 HydrophobicContact CG-CE1 3.56Å; P40-F65 HydrophobicContact CG-CE2 3.69Å; P40-F65 HydrophobicContact CG-CG 3.95Å; P40-F65 HydrophobicContact CG-CZ 3.5Å; P40-L130 HydrophobicContact CB-CD1 3.95Å; P40-L130 HydrophobicContact CB-CD2 3.95Å; P40-L130 HydrophobicContact CG-CD1 4.05Å; P40-L130 HydrophobicContact CG-CD2 3.85Å; P40-W137 HydrophobicContact CG-CH2 4.08Å; P40-W137 HydrophobicContact CG-CZ3 4.23Å; P40-A212 WeakPolarHBondContact O-CA 3.4Å; P40-V213 HydrophobicContact CG-CG2 4.08Å; P40-V213 PolarHBondContact O-N 3.34Å; P40-V213 VanDerWaalsContact O-N 3.12Å
41	K	97.9	Very high	80.4	Confident	114 Å²	114	59.6 Å²	59.6	50%	0.496	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	124.4	176.3	-68.2	-175.2	179.5	-179.4	0	110	T43 P210 F211 A212	K41-T43 PolarHBondContact O-N 2.82Å; K41-P210 HydrophobicContact CB-CB 4.42Å; K41-F211 CarbonylContact C-O 3.57Å; K41-F211 VanDerWaalsContact CA-O 3.26Å; K41-F211 WeakPolarHBondContact CA-O 3.5Å; K41-A212 HydrophobicContact CG-CB 4.46Å
42	V	98.4	Very high	83	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	122	166.1	177.1	0	0	0	0	107.9	A44 K45 V64 F65 L173 V207 P210 F211 V213	V42-A44 VanDerWaalsContact CG1-O 3.31Å; V42-A44 WeakPolarHBondContact CG1-O 3.3Å; V42-K45 HydrophobicContact CG1-CG 4.41Å; V42-V64 WeakPolarHBondContact CA-O 3.46Å; V42-F65 HydrophobicContact CG2-CD1 4.32Å; V42-F65 HydrophobicContact CG2-CE1 3.97Å; V42-L173 HydrophobicContact CG1-CD1 4.38Å; V42-V207 HydrophobicContact CG1-CG2 4.38Å; V42-P210 WeakPolarHBondContact O-CA 3.38Å; V42-P210 WeakPolarHBondContact O-CB 3.33Å; V42-F211 HydrophobicContact CB-CD1 4.39Å; V42-F211 HydrophobicContact CB-CD2 4.36Å; V42-F211 HydrophobicContact CB-CE1 3.96Å; V42-F211 HydrophobicContact CB-CE2 3.93Å; V42-F211 HydrophobicContact CB-CZ 3.72Å; V42-F211 HydrophobicContact CG1-CE1 3.92Å; V42-F211 HydrophobicContact CG1-CE2 4.44Å; V42-F211 HydrophobicContact CG1-CZ 3.75Å; V42-F211 HydrophobicContact CG2-CD2 4.46Å; V42-F211 HydrophobicContact CG2-CE2 3.86Å; V42-F211 HydrophobicContact CG2-CZ 4Å; V42-F211 PolarHBondContact N-O 2.89Å; V42-F211 PolarHBondContact O-N 3.46Å; V42-V213 HydrophobicContact CG2-CG1 3.78Å; V42-V213 HydrophobicContact CG2-CG2 4.48Å
43	T	98.4	Very high	85.3	Confident	31 Å²	31	54.7 Å²	54.7	19%	0.19	27%	0.269	C	S	.	.			trans	-112.2	-19.3	-178.3	55	0	0	0	0	113.8	K41 V64 G66 K67 P210	K41-T43 PolarHBondContact O-N 2.82Å; T43-V64 PolarHBondContact N-O 2.88Å; T43-V64 PolarHBondContact OG1-O 3.36Å; T43-G66 WeakPolarHBondContact OG1-CA 3.41Å; T43-G66 PolarHBondContact OG1-N 2.88Å; T43-K67 HydrophobicContact CG2-CB 4.43Å; T43-K67 HydrophobicContact CG2-CD 4.43Å; T43-K67 HydrophobicContact CG2-CG 3.75Å; T43-P210 HydrophobicContact CG2-CB 4.4Å; T43-P210 HydrophobicContact CG2-CG 4.48Å
44	A	98.4	Very high	87.8	Confident	8 Å²	8	59.6 Å²	59.6	7%	0.066	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	167.5	172.8	0	0	0	0	0	107.8	V42 V64	V42-A44 VanDerWaalsContact CG1-O 3.31Å; V42-A44 WeakPolarHBondContact CG1-O 3.3Å; A44-V64 HydrophobicContact CB-CG2 3.75Å; A44-V64 VanDerWaalsContact O-CG2 3.25Å; A44-V64 WeakPolarHBondContact O-CG2 3.41Å; A44-V64 PolarHBondContact O-N 3.41Å
45	K	98.9	Very high	90.1	Very high	42 Å²	42	59.6 Å²	59.6	18%	0.183	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	149.6	171.4	-74.2	175.6	178.6	-162.4	0	109.6	V42 V61 I62 L173 E174 K204 I205 V207	V42-K45 HydrophobicContact CG1-CG 4.41Å; K45-V61 HydrophobicContact CB-CG1 4.19Å; K45-V61 HydrophobicContact CD-CG1 3.81Å; K45-V61 HydrophobicContact CG-CG1 4.18Å; K45-I62 CarbonylContact C-O 3.56Å; K45-I62 VanDerWaalsContact CA-O 3.22Å; K45-I62 WeakPolarHBondContact CA-O 3.3Å; K45-L173 HydrophobicContact CD-CD1 4.32Å; K45-L173 HydrophobicContact CG-CD1 4.15Å; K45-E174 IonicContact NZ-OE1 3.55Å; K45-E174 PolarHBondContact NZ-OE1 2.83Å; K45-K204 WeakPolarHBondContact O-CA 3.43Å; K45-I205 HydrophobicContact CB-CB 3.81Å; K45-I205 HydrophobicContact CB-CG2 4.24Å; K45-I205 HydrophobicContact CD-CG2 4.27Å; K45-I205 PolarHBondContact N-O 3.32Å; K45-I205 PolarHBondContact O-N 3.46Å; K45-V207 HydrophobicContact CB-CG2 4.38Å; K45-V207 HydrophobicContact CD-CG2 4.18Å; K45-V207 HydrophobicContact CG-CG2 3.77Å
46	V	98.9	Very high	92.5	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	137.9	168	168.9	0	0	0	0	107.8	F48 I62 F76 V77 A80 G203	V46-F48 HydrophobicContact CG1-CD1 4.12Å; V46-F48 HydrophobicContact CG1-CE1 3.63Å; V46-F48 HydrophobicContact CG1-CZ 4.04Å; V46-I62 PolarHBondContact N-O 3.19Å; V46-I62 PolarHBondContact O-N 3.15Å; V46-F76 HydrophobicContact CB-CD1 4.4Å; V46-F76 HydrophobicContact CB-CE1 3.82Å; V46-F76 HydrophobicContact CG1-CE1 3.78Å; V46-F76 HydrophobicContact CG1-CZ 4.41Å; V46-F76 HydrophobicContact CG2-CD1 3.92Å; V46-F76 HydrophobicContact CG2-CE1 3.86Å; V46-V77 HydrophobicContact CG2-CG2 3.91Å; V46-A80 HydrophobicContact CB-CB 4.48Å; V46-A80 HydrophobicContact CG1-CB 3.53Å; V46-A80 HydrophobicContact CG2-CB 4.1Å; V46-G203 CarbonylContact C-O 3.53Å; V46-G203 VanDerWaalsContact CA-O 3.29Å; V46-G203 WeakPolarHBondContact CA-O 3.3Å
47	Y	98.9	Very high	94.9	Very high	40 Å²	40	50 Å²	50	16%	0.157	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	147.5	171.4	75	-88.7	0	0	0	111.2	V60 D201 C202 G203 I205	Y47-V60 CarbonylContact C-O 3.59Å; Y47-V60 VanDerWaalsContact CA-O 3.27Å; Y47-V60 WeakPolarHBondContact CA-O 3.49Å; Y47-D201 HydrophobicContact CE2-CB 4.48Å; Y47-D201 WeakPolarHBondContact CE2-OD2 3.3Å; Y47-D201 PolarHBondContact OH-OD2 2.67Å; Y47-C202 WeakPolarHBondContact O-CA 3.32Å; Y47-C202 WeakPolarHBondContact O-CB 3.17Å; Y47-G203 WeakPolarHBondContact CD1-O 3.22Å; Y47-G203 PolarHBondContact N-O 3.33Å; Y47-G203 PolarHBondContact O-N 3.42Å; Y47-I205 HydrophobicContact CD1-CD1 3.96Å; Y47-I205 HydrophobicContact CD1-CG1 3.94Å; Y47-I205 HydrophobicContact CG-CD1 4.33Å
48	F	98.9	Very high	97	Very high	1 Å²	1	43.8 Å²	43.8	0%	0.004	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	121.5	167.8	-63.5	-31.3	0	0	0	109.6	V46 I50 R59 V60 I62 F76 A80 Y88 F152 I199 C202	V46-F48 HydrophobicContact CG1-CD1 4.12Å; V46-F48 HydrophobicContact CG1-CE1 3.63Å; V46-F48 HydrophobicContact CG1-CZ 4.04Å; F48-I50 HydrophobicContact CB-CD1 3.7Å; F48-I50 HydrophobicContact CB-CG1 4.46Å; F48-R59 CarbonylContact O-C 3.52Å; F48-R59 VanDerWaalsContact O-CA 3.3Å; F48-R59 WeakPolarHBondContact O-CA 3.45Å; F48-V60 PolarHBondContact N-O 3.43Å; F48-V60 PolarHBondContact O-N 2.78Å; F48-I62 HydrophobicContact CD2-CD1 3.79Å; F48-I62 HydrophobicContact CE2-CD1 3.63Å; F48-I62 HydrophobicContact CZ-CD1 4.45Å; F48-F76 HydrophobicContact CE1-CZ 4.46Å; F48-F76 HydrophobicContact CE2-CE2 4.47Å; F48-F76 AromaticContact CE2-CZ 3.8Å; F48-F76 HydrophobicContact CE2-CZ 3.8Å; F48-F76 HydrophobicContact CZ-CE1 4.19Å; F48-F76 HydrophobicContact CZ-CE2 4Å; F48-F76 AromaticContact CZ-CZ 3.41Å; F48-F76 HydrophobicContact CZ-CZ 3.41Å; F48-F76 VanDerWaalsContact CZ-CZ 3.41Å; F48-A80 HydrophobicContact CE1-CB 4.42Å; F48-Y88 HydrophobicContact CE1-CD2 4.11Å; F48-Y88 HydrophobicContact CZ-CD2 4.02Å; F48-F152 HydrophobicContact CD2-CZ 4.44Å; F48-F152 HydrophobicContact CE2-CE1 4.26Å; F48-F152 AromaticContact CE2-CE2 3.93Å; F48-F152 HydrophobicContact CE2-CE2 3.93Å; F48-F152 AromaticContact CE2-CZ 3.48Å; F48-F152 HydrophobicContact CE2-CZ 3.48Å; F48-F152 VanDerWaalsContact CE2-CZ 3.48Å; F48-F152 HydrophobicContact CZ-CE1 4.24Å; F48-F152 AromaticContact CZ-CZ 3.91Å; F48-F152 HydrophobicContact CZ-CZ 3.91Å; F48-I199 HydrophobicContact CB-CG2 4.13Å; F48-I199 HydrophobicContact CD1-CD1 4.34Å; F48-I199 HydrophobicContact CD1-CG2 3.72Å; F48-I199 HydrophobicContact CD2-CD1 4.28Å; F48-I199 HydrophobicContact CE1-CD1 4.31Å; F48-I199 HydrophobicContact CE1-CG2 4.37Å; F48-I199 HydrophobicContact CE2-CD1 4.23Å; F48-I199 HydrophobicContact CG-CD1 4.33Å; F48-I199 HydrophobicContact CG-CG1 4.5Å; F48-I199 HydrophobicContact CG-CG2 4.07Å; F48-I199 HydrophobicContact CZ-CD1 4.24Å; F48-C202 HydrophobicContact CD1-CB 3.46Å; F48-C202 VanDerWaalsContact CD1-CB 3.46Å; F48-C202 HydrophobicContact CE1-CB 3.81Å
49	D	98.9	Very high	98.1	Very high	32 Å²	32	43.9 Å²	43.9	17%	0.171	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	120.2	166.6	-67.4	-35.7	0	0	0	108.7	R59 I199 H200 D201	D49-R59 WeakPolarHBondContact OD1-CB 3.5Å; D49-R59 WeakPolarHBondContact OD1-CG 3.3Å; D49-R59 IonicContact OD1-CZ 2.73Å; D49-R59 IonicContact OD1-NE 3.29Å; D49-R59 PolarHBondContact OD1-NE 3.41Å; D49-R59 IonicContact OD1-NH2 3.62Å; D49-R59 PolarHBondContact OD1-NH2 3.37Å; D49-R59 IonicContact OD2-CZ 2.72Å; D49-R59 IonicContact OD2-NE 2.96Å; D49-R59 IonicContact OD2-NH2 2.71Å; D49-R59 PolarHBondContact OD2-NH2 3.09Å; D49-I199 CarbonylContact O-C 3.57Å; D49-H200 PolarHBondContact O-N 3.1Å; D49-D201 HydrophobicContact CB-CB 4.15Å; D49-D201 PolarHBondContact N-O 3.24Å; D49-D201 PolarHBondContact O-N 3.39Å
50	I	98.9	Very high	98.4	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	139.5	-168.6	-54.4	-57.2	0	0	0	110.9	F48 V57 G58 V60 F93 V178 I182 V197 T198 I199	F48-I50 HydrophobicContact CB-CD1 3.7Å; F48-I50 HydrophobicContact CB-CG1 4.46Å; I50-V57 HydrophobicContact CB-CG2 3.71Å; I50-V57 HydrophobicContact CG2-CG2 3.54Å; I50-V57 VanDerWaalsContact O-CG2 3.32Å; I50-V57 WeakPolarHBondContact O-CG2 3.34Å; I50-V57 PolarHBondContact O-N 3.07Å; I50-G58 PolarHBondContact N-O 2.82Å; I50-V60 HydrophobicContact CG1-CG2 4.17Å; I50-F93 HydrophobicContact CD1-CE2 3.84Å; I50-V178 HydrophobicContact CB-CG1 4.03Å; I50-V178 HydrophobicContact CG1-CG1 4.03Å; I50-I182 HydrophobicContact CG1-CD1 4.29Å; I50-I182 HydrophobicContact CG2-CD1 3.9Å; I50-I182 HydrophobicContact CG2-CG1 4.16Å; I50-V197 HydrophobicContact CG2-CG1 3.78Å; I50-T198 WeakPolarHBondContact CA-O 3.12Å; I50-I199 HydrophobicContact CD1-CG1 4.08Å
51	R	98.8	Very high	98.5	Very high	70 Å²	70	43.5 Å²	43.5	26%	0.264	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	147.2	164.7	-74.4	-178.5	173.7	-178.8	-7.1	112.2	E55 D56 V197 T198 H200	R51-E55 CarbonylContact C-O 3.53Å; R51-E55 WeakPolarHBondContact CA-O 3.38Å; R51-D56 WeakPolarHBondContact CG-OD1 3.34Å; R51-D56 IonicContact CZ-OD1 3.52Å; R51-D56 IonicContact CZ-OD2 3.62Å; R51-D56 IonicContact NE-OD1 2.65Å; R51-D56 PolarHBondContact NE-OD1 2.86Å; R51-D56 IonicContact NE-OD2 2.98Å; R51-D56 PolarHBondContact NE-OD2 2.81Å; R51-D56 IonicContact NH2-OD1 3.42Å; R51-D56 PolarHBondContact NH2-OD1 3.26Å; R51-D56 IonicContact NH2-OD2 2.92Å; R51-D56 PolarHBondContact NH2-OD2 3.45Å; R51-V197 CarbonylContact O-C 3.52Å; R51-V197 VanDerWaalsContact O-CA 3.3Å; R51-V197 WeakPolarHBondContact O-CA 3.38Å; R51-T198 PolarHBondContact N-O 3.25Å; R51-T198 PolarHBondContact O-N 2.94Å; R51-H200 HydrophobicContact CG-CB 3.98Å; R51-H200 PolarHBondContact NH1-CD2 3.47Å; R51-H200 PolarHBondContact NH1-NE2 3.29Å
52	I	98.7	Very high	98.6	Very high	17 Å²	17	38.1 Å²	38.1	9%	0.087	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	106.6	167.7	-56.7	-177.1	0	0	0	108.2	D54 E55 V57 K181 K195 V197	I52-D54 PolarHBondContact O-N 3.41Å; I52-E55 PolarHBondContact N-O 2.86Å; I52-E55 PolarHBondContact O-N 3.02Å; I52-V57 HydrophobicContact CB-CG1 4.05Å; I52-V57 HydrophobicContact CD1-CG1 3.96Å; I52-V57 HydrophobicContact CD1-CG2 4.24Å; I52-V57 HydrophobicContact CG1-CB 4.47Å; I52-V57 HydrophobicContact CG1-CG1 3.75Å; I52-V57 HydrophobicContact CG1-CG2 3.95Å; I52-K181 HydrophobicContact CD1-CG 4.08Å; I52-K195 HydrophobicContact CG2-CB 4.05Å; I52-K195 HydrophobicContact CG2-CD 4.46Å; I52-V197 HydrophobicContact CG1-CG1 4.33Å; I52-V197 HydrophobicContact CG1-CG2 4.16Å; I52-V197 HydrophobicContact CG2-CG2 4.4Å
53	G	98.1	Very high	98.6	Very high	26 Å²	26	38.1 Å²	38.1	27%	0.268	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	-125	-160.5	0	0	0	0	0	109.6	D196	G53-D196 PolarHBondContact N-O 3.29Å
54	D	96.8	Very high	98.6	Very high	159 Å²	159	36.6 Å²	36.6	85%	0.85	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-0.3	179.8	-54.6	-50.5	0	0	0	113.8	I52	I52-D54 PolarHBondContact O-N 3.41Å
55	E	98.2	Very high	98.6	Very high	104 Å²	104	36.2 Å²	36.2	49%	0.486	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	123.3	-177.8	-173.3	-168.8	143.5	0	0	111	R51 I52 V57 K181	R51-E55 CarbonylContact C-O 3.53Å; R51-E55 WeakPolarHBondContact CA-O 3.38Å; I52-E55 PolarHBondContact N-O 2.86Å; I52-E55 PolarHBondContact O-N 3.02Å; E55-V57 HydrophobicContact CG-CG1 4.25Å; E55-V57 PolarHBondContact O-N 3.1Å; E55-K181 IonicContact OE1-NZ 3.59Å; E55-K181 PolarHBondContact OE1-NZ 3.39Å
56	D	98.5	Very high	98.6	Very high	94 Å²	94	34.9 Å²	34.9	50%	0.503	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	118.7	167	-73.9	-56.6	0	0	0	110.1	R51	R51-D56 WeakPolarHBondContact CG-OD1 3.34Å; R51-D56 IonicContact CZ-OD1 3.52Å; R51-D56 IonicContact CZ-OD2 3.62Å; R51-D56 IonicContact NE-OD1 2.65Å; R51-D56 PolarHBondContact NE-OD1 2.86Å; R51-D56 IonicContact NE-OD2 2.98Å; R51-D56 PolarHBondContact NE-OD2 2.81Å; R51-D56 IonicContact NH2-OD1 3.42Å; R51-D56 PolarHBondContact NH2-OD1 3.26Å; R51-D56 IonicContact NH2-OD2 2.92Å; R51-D56 PolarHBondContact NH2-OD2 3.45Å
57	V	98.1	Very high	98.5	Very high	19 Å²	19	42.8 Å²	42.8	12%	0.115	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	-7	-173.5	-58.9	0	0	0	0	114.6	I50 I52 E55 V178 K181	I50-V57 HydrophobicContact CB-CG2 3.71Å; I50-V57 HydrophobicContact CG2-CG2 3.54Å; I50-V57 VanDerWaalsContact O-CG2 3.32Å; I50-V57 WeakPolarHBondContact O-CG2 3.34Å; I50-V57 PolarHBondContact O-N 3.07Å; I52-V57 HydrophobicContact CB-CG1 4.05Å; I52-V57 HydrophobicContact CD1-CG1 3.96Å; I52-V57 HydrophobicContact CD1-CG2 4.24Å; I52-V57 HydrophobicContact CG1-CB 4.47Å; I52-V57 HydrophobicContact CG1-CG1 3.75Å; I52-V57 HydrophobicContact CG1-CG2 3.95Å; E55-V57 HydrophobicContact CG-CG1 4.25Å; E55-V57 PolarHBondContact O-N 3.1Å; V57-V178 HydrophobicContact CG2-CG1 3.93Å; V57-K181 HydrophobicContact CB-CD 4.05Å; V57-K181 HydrophobicContact CG1-CD 4.14Å; V57-K181 VanDerWaalsContact CG1-NZ 3.33Å
58	G	98.6	Very high	98.5	Very high	35 Å²	35	42.1 Å²	42.1	36%	0.361	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	127.3	-174	172.2	0	0	0	0	0	114	I50	I50-G58 PolarHBondContact N-O 2.82Å
59	R	98.8	Very high	98.5	Very high	112 Å²	112	42.1 Å²	42.1	42%	0.423	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	136.2	-175.9	-179.5	170.2	-74.7	-169.3	-5.4	111.3	F48 D49 V61 G175	F48-R59 CarbonylContact O-C 3.52Å; F48-R59 VanDerWaalsContact O-CA 3.3Å; F48-R59 WeakPolarHBondContact O-CA 3.45Å; D49-R59 WeakPolarHBondContact OD1-CB 3.5Å; D49-R59 WeakPolarHBondContact OD1-CG 3.3Å; D49-R59 IonicContact OD1-CZ 2.73Å; D49-R59 IonicContact OD1-NE 3.29Å; D49-R59 PolarHBondContact OD1-NE 3.41Å; D49-R59 IonicContact OD1-NH2 3.62Å; D49-R59 PolarHBondContact OD1-NH2 3.37Å; D49-R59 IonicContact OD2-CZ 2.72Å; D49-R59 IonicContact OD2-NE 2.96Å; D49-R59 IonicContact OD2-NH2 2.71Å; D49-R59 PolarHBondContact OD2-NH2 3.09Å; R59-V61 HydrophobicContact CG-CG2 4.12Å; R59-G175 WeakPolarHBondContact O-CA 3.37Å
60	V	98.9	Very high	98.5	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.018	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	126.4	167.3	-174.9	0	0	0	0	108.5	Y47 F48 I50 I62 V172 V178 V179	Y47-V60 CarbonylContact C-O 3.59Å; Y47-V60 VanDerWaalsContact CA-O 3.27Å; Y47-V60 WeakPolarHBondContact CA-O 3.49Å; F48-V60 PolarHBondContact N-O 3.43Å; F48-V60 PolarHBondContact O-N 2.78Å; I50-V60 HydrophobicContact CG1-CG2 4.17Å; V60-I62 HydrophobicContact CG1-CD1 4.41Å; V60-I62 HydrophobicContact CG1-CG1 3.91Å; V60-V172 HydrophobicContact CG1-CG1 3.81Å; V60-V172 HydrophobicContact CG1-CG2 3.98Å; V60-V178 HydrophobicContact CG2-CB 3.93Å; V60-V178 HydrophobicContact CG2-CG1 3.93Å; V60-V179 HydrophobicContact CG1-CG2 4.07Å; V60-V179 HydrophobicContact CG2-CG2 4Å
61	V	98.9	Very high	98.5	Very high	6 Å²	6	49.6 Å²	49.6	4%	0.036	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	123.9	173.4	-178.8	0	0	0	0	109	K45 R59 L173 E174	K45-V61 HydrophobicContact CB-CG1 4.19Å; K45-V61 HydrophobicContact CD-CG1 3.81Å; K45-V61 HydrophobicContact CG-CG1 4.18Å; R59-V61 HydrophobicContact CG-CG2 4.12Å; V61-L173 PolarHBondContact O-N 2.87Å; V61-E174 HydrophobicContact CB-CB 3.91Å; V61-E174 HydrophobicContact CB-CG 4.29Å; V61-E174 HydrophobicContact CG2-CB 4.11Å; V61-E174 PolarHBondContact N-O 3.11Å; V61-E174 PolarHBondContact O-N 3.04Å
62	I	98.9	Very high	98.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	122.8	-174.2	-49.4	165.9	0	0	0	109.3	K45 V46 F48 V60 F76 L138 I154 V172	K45-I62 CarbonylContact C-O 3.56Å; K45-I62 VanDerWaalsContact CA-O 3.22Å; K45-I62 WeakPolarHBondContact CA-O 3.3Å; V46-I62 PolarHBondContact N-O 3.19Å; V46-I62 PolarHBondContact O-N 3.15Å; F48-I62 HydrophobicContact CD2-CD1 3.79Å; F48-I62 HydrophobicContact CE2-CD1 3.63Å; F48-I62 HydrophobicContact CZ-CD1 4.45Å; V60-I62 HydrophobicContact CG1-CD1 4.41Å; V60-I62 HydrophobicContact CG1-CG1 3.91Å; I62-F76 HydrophobicContact CD1-CZ 4.19Å; I62-L138 HydrophobicContact CD1-CD2 4.39Å; I62-L138 HydrophobicContact CG2-CB 4.19Å; I62-L138 HydrophobicContact CG2-CD2 3.65Å; I62-L138 HydrophobicContact CG2-CG 4.48Å; I62-I154 HydrophobicContact CD1-CD1 4.23Å; I62-V172 HydrophobicContact CG1-CG2 4.31Å
63	G	98.8	Very high	98.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	132.1	169.4	0	0	0	0	0	110.4	G170 K171	G63-G170 CarbonylContact O-C 3.47Å; G63-G170 WeakPolarHBondContact O-CA 3.32Å; G63-K171 PolarHBondContact N-O 2.95Å; G63-K171 PolarHBondContact O-N 3.24Å
64	V	98.8	Very high	98.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	145.1	-178.2	-68.1	0	0	0	0	112.2	V42 T43 A44 G66 V73 F76 V77	V42-V64 WeakPolarHBondContact CA-O 3.46Å; T43-V64 PolarHBondContact N-O 2.88Å; T43-V64 PolarHBondContact OG1-O 3.36Å; A44-V64 HydrophobicContact CB-CG2 3.75Å; A44-V64 VanDerWaalsContact O-CG2 3.25Å; A44-V64 WeakPolarHBondContact O-CG2 3.41Å; A44-V64 PolarHBondContact O-N 3.41Å; V64-G66 PolarHBondContact O-N 3.26Å; V64-V73 HydrophobicContact CB-CB 4.49Å; V64-V73 HydrophobicContact CB-CG1 3.83Å; V64-V73 HydrophobicContact CB-CG2 3.93Å; V64-V73 HydrophobicContact CG2-CG1 3.58Å; V64-F76 HydrophobicContact CG1-CD1 4.07Å; V64-F76 HydrophobicContact CG1-CE1 4.34Å; V64-V77 HydrophobicContact CG2-CG2 4.14Å
65	F	98.7	Very high	98.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.211	C	C	.	.			trans	-99.9	60.9	-165.9	-51.1	-42.9	0	0	0	113.8	P40 V42 K67 T68 V69 L130 W137 F169 G170 K171 V213	P40-F65 HydrophobicContact CB-CB 4.11Å; P40-F65 HydrophobicContact CB-CD1 3.62Å; P40-F65 HydrophobicContact CB-CD2 3.96Å; P40-F65 HydrophobicContact CB-CE1 3.95Å; P40-F65 HydrophobicContact CB-CE2 4.27Å; P40-F65 HydrophobicContact CB-CG 3.62Å; P40-F65 HydrophobicContact CB-CZ 4.26Å; P40-F65 HydrophobicContact CG-CD1 3.78Å; P40-F65 HydrophobicContact CG-CD2 3.91Å; P40-F65 HydrophobicContact CG-CE1 3.56Å; P40-F65 HydrophobicContact CG-CE2 3.69Å; P40-F65 HydrophobicContact CG-CG 3.95Å; P40-F65 HydrophobicContact CG-CZ 3.5Å; V42-F65 HydrophobicContact CG2-CD1 4.32Å; V42-F65 HydrophobicContact CG2-CE1 3.97Å; F65-K67 PolarHBondContact O-N 2.96Å; F65-K67 VanDerWaalsContact O-N 3.08Å; F65-T68 PolarHBondContact O-N 2.82Å; F65-V69 HydrophobicContact CB-CG2 4.41Å; F65-V69 PolarHBondContact O-N 2.96Å; F65-L130 HydrophobicContact CB-CD1 4.35Å; F65-L130 HydrophobicContact CD2-CD1 3.27Å; F65-L130 HydrophobicContact CE2-CD1 3.79Å; F65-L130 HydrophobicContact CG-CD1 4.08Å; F65-W137 HydrophobicContact CE2-CE3 4.02Å; F65-W137 HydrophobicContact CE2-CH2 4.43Å; F65-W137 AromaticContact CE2-CZ3 3.55Å; F65-W137 HydrophobicContact CE2-CZ3 3.55Å; F65-W137 HydrophobicContact CZ-CE3 4.41Å; F65-W137 HydrophobicContact CZ-CH2 4.36Å; F65-W137 AromaticContact CZ-CZ3 3.87Å; F65-W137 HydrophobicContact CZ-CZ3 3.87Å; F65-F169 WeakPolarHBondContact CD2-O 3.48Å; F65-F169 PolarHBondContact N-O 2.91Å; F65-G170 WeakPolarHBondContact CE2-O 3.19Å; F65-G170 VanDerWaalsContact CZ-C 3.45Å; F65-K171 HydrophobicContact CZ-CB 3.81Å; F65-V213 HydrophobicContact CE1-CG2 3.75Å; F65-V213 HydrophobicContact CZ-CG2 4.01Å
66	G	98.3	Very high	98.6	Very high	14 Å²	14	36.2 Å²	36.2	14%	0.144	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-12.3	-170.7	0	0	0	0	0	115.7	T43 V64 P70	T43-G66 WeakPolarHBondContact OG1-CA 3.41Å; T43-G66 PolarHBondContact OG1-N 2.88Å; V64-G66 PolarHBondContact O-N 3.26Å; G66-P70 WeakPolarHBondContact O-CA 3.33Å; G66-P70 WeakPolarHBondContact O-CB 3.49Å
67	K	97.6	Very high	98.7	Very high	165 Å²	165	32.6 Å²	32.6	72%	0.717	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-19.7	167.9	-65.7	-48.4	-178.6	-176.2	0	113.4	T43 F65	T43-K67 HydrophobicContact CG2-CB 4.43Å; T43-K67 HydrophobicContact CG2-CD 4.43Å; T43-K67 HydrophobicContact CG2-CG 3.75Å; F65-K67 PolarHBondContact O-N 2.96Å; F65-K67 VanDerWaalsContact O-N 3.08Å
68	T	98.1	Very high	98.7	Very high	27 Å²	27	31.9 Å²	31.9	17%	0.166	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-41.7	-177	-55.4	0	0	0	0	111.5	F65 N127 K129 L130	F65-T68 PolarHBondContact O-N 2.82Å; T68-N127 PolarHBondContact O-ND2 3.44Å; T68-K129 HydrophobicContact CG2-CB 4.19Å; T68-K129 HydrophobicContact CG2-CD 4.27Å; T68-L130 HydrophobicContact CG2-CD1 3.9Å; T68-L130 HydrophobicContact CG2-CG 3.95Å
69	V	98.6	Very high	98.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.148	C	C	.	.			trans	-139.9	65.1	-176.9	-78.8	0	0	0	0	110.1	F65 K71 T72 V73 E126 N127 V167 F169	F65-V69 HydrophobicContact CB-CG2 4.41Å; F65-V69 PolarHBondContact O-N 2.96Å; V69-K71 PolarHBondContact O-N 2.95Å; V69-T72 PolarHBondContact O-N 3.24Å; V69-V73 HydrophobicContact CG2-CG2 4.14Å; V69-V73 WeakPolarHBondContact O-CB 3.41Å; V69-V73 VanDerWaalsContact O-CG2 3.3Å; V69-V73 WeakPolarHBondContact O-CG2 3.22Å; V69-V73 PolarHBondContact O-N 2.87Å; V69-E126 VanDerWaalsContact C-CD 3.48Å; V69-E126 VanDerWaalsContact CA-CD 3.47Å; V69-E126 WeakPolarHBondContact CA-OE2 3.49Å; V69-E126 VanDerWaalsContact CB-OE2 3.3Å; V69-E126 WeakPolarHBondContact CB-OE2 3.32Å; V69-E126 HydrophobicContact CG1-CB 4.35Å; V69-E126 HydrophobicContact CG1-CG 4.31Å; V69-N127 WeakPolarHBondContact CG1-ND2 3.33Å; V69-V167 HydrophobicContact CG1-CG1 3.93Å; V69-F169 HydrophobicContact CG2-CB 3.51Å
70	P	98.7	Very high	98.7	Very high	56 Å²	56	25 Å²	25	36%	0.364	13%	0.129	S	C	.	.	H	α-helix	trans	-54.5	-44.7	-175.5	18.9	-31.8	0	0	0	113.9	G66 T72 V73 D74 E126	G66-P70 WeakPolarHBondContact O-CA 3.33Å; G66-P70 WeakPolarHBondContact O-CB 3.49Å; P70-T72 PolarHBondContact O-N 2.88Å; P70-V73 PolarHBondContact O-N 3.29Å; P70-D74 WeakPolarHBondContact O-CB 3.17Å; P70-D74 PolarHBondContact O-N 2.79Å; P70-E126 WeakPolarHBondContact CD-OE1 3.29Å; P70-E126 VanDerWaalsContact CG-OE1 3.3Å; P70-E126 WeakPolarHBondContact CG-OE1 3.4Å; P70-E126 VanDerWaalsContact N-OE1 3.14Å
71	K	98.8	Very high	98.7	Very high	134 Å²	134	27.7 Å²	27.7	58%	0.583	15%	0.145	S	C	*	.	H	α-helix	trans	-66.9	-41.8	-177.1	-63.8	-177.9	177.8	-178.4	0	111.8	V69 V73 D74 N75 Y119 E126	V69-K71 PolarHBondContact O-N 2.95Å; K71-V73 VanDerWaalsContact C-N 3.3Å; K71-V73 PolarHBondContact O-N 3.43Å; K71-D74 PolarHBondContact O-N 3.4Å; K71-N75 WeakPolarHBondContact O-CB 3.27Å; K71-N75 PolarHBondContact O-N 3.48Å; K71-Y119 HydrophobicContact CB-CE2 4.3Å; K71-Y119 WeakPolarHBondContact O-CE2 3.39Å; K71-Y119 PolarHBondContact O-OH 3.17Å; K71-E126 PolarHBondContact N-OE1 2.87Å; K71-E126 PolarHBondContact N-OE2 2.79Å
72	T	98.9	Very high	98.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.1	-41.1	178.4	-49.4	0	0	0	0	110.6	V69 P70 F76 F123 E126 M140 V167 F169	V69-T72 PolarHBondContact O-N 3.24Å; P70-T72 PolarHBondContact O-N 2.88Å; T72-F76 PolarHBondContact O-N 2.92Å; T72-F76 VanDerWaalsContact O-N 3.09Å; T72-F123 HydrophobicContact CG2-CZ 4.34Å; T72-E126 WeakPolarHBondContact CB-OE2 3.21Å; T72-E126 PolarHBondContact N-OE2 2.85Å; T72-E126 PolarHBondContact OG1-OE2 2.82Å; T72-M140 HydrophobicContact CG2-CG 3.63Å; T72-M140 HydrophobicContact CG2-SD 3.88Å; T72-V167 HydrophobicContact CG2-CG1 4.17Å; T72-F169 HydrophobicContact CG2-CB 3.73Å; T72-F169 HydrophobicContact CG2-CD1 3.73Å; T72-F169 HydrophobicContact CG2-CD2 4.21Å; T72-F169 HydrophobicContact CG2-CE1 4.35Å; T72-F169 HydrophobicContact CG2-CG 3.64Å
73	V	98.9	Very high	98.7	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.024	19%	0.185	C	C	.	.	H	α-helix	trans	-68.8	-45.5	178	169.1	0	0	0	0	111.9	V64 V69 P70 K71 N75 F76 V77 F169	V64-V73 HydrophobicContact CB-CB 4.49Å; V64-V73 HydrophobicContact CB-CG1 3.83Å; V64-V73 HydrophobicContact CB-CG2 3.93Å; V64-V73 HydrophobicContact CG2-CG1 3.58Å; V69-V73 HydrophobicContact CG2-CG2 4.14Å; V69-V73 WeakPolarHBondContact O-CB 3.41Å; V69-V73 VanDerWaalsContact O-CG2 3.3Å; V69-V73 WeakPolarHBondContact O-CG2 3.22Å; V69-V73 PolarHBondContact O-N 2.87Å; P70-V73 PolarHBondContact O-N 3.29Å; K71-V73 VanDerWaalsContact C-N 3.3Å; K71-V73 PolarHBondContact O-N 3.43Å; V73-N75 VanDerWaalsContact C-N 3.28Å; V73-N75 PolarHBondContact O-N 3.29Å; V73-F76 PolarHBondContact O-N 3.4Å; V73-V77 HydrophobicContact CG1-CG2 4.09Å; V73-V77 WeakPolarHBondContact O-CB 3.49Å; V73-V77 VanDerWaalsContact O-CG2 3.3Å; V73-V77 WeakPolarHBondContact O-CG2 3.49Å; V73-V77 PolarHBondContact O-N 3.2Å; V73-F169 HydrophobicContact CG2-CB 4.42Å; V73-F169 HydrophobicContact CG2-CD2 4.47Å
74	D	98.8	Very high	98.6	Very high	92 Å²	92	39.7 Å²	39.7	49%	0.492	21%	0.207	S	C	.	.	H	α-helix	trans	-59.5	-41.9	177.8	-71.7	-10.7	0	0	0	110.9	P70 K71 A78	P70-D74 WeakPolarHBondContact O-CB 3.17Å; P70-D74 PolarHBondContact O-N 2.79Å; K71-D74 PolarHBondContact O-N 3.4Å; D74-A78 VanDerWaalsContact O-CB 3.23Å; D74-A78 WeakPolarHBondContact O-CB 3.17Å; D74-A78 PolarHBondContact O-N 2.71Å
75	N	98.9	Very high	98.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-57.8	-54.5	172.5	175.2	64	0	0	0	112.1	K71 V73 V77 A78 L79 S117 I118 Y119 G149	K71-N75 WeakPolarHBondContact O-CB 3.27Å; K71-N75 PolarHBondContact O-N 3.48Å; V73-N75 VanDerWaalsContact C-N 3.28Å; V73-N75 PolarHBondContact O-N 3.29Å; N75-V77 PolarHBondContact O-N 2.65Å; N75-A78 PolarHBondContact O-N 3.4Å; N75-L79 WeakPolarHBondContact O-CB 3.46Å; N75-L79 VanDerWaalsContact O-CG 3.24Å; N75-L79 WeakPolarHBondContact O-CG 3.47Å; N75-L79 PolarHBondContact O-N 3.45Å; N75-S117 WeakPolarHBondContact OD1-CA 3.39Å; N75-S117 VanDerWaalsContact OD1-CB 3.24Å; N75-S117 WeakPolarHBondContact OD1-CB 3.43Å; N75-I118 HydrophobicContact CB-CD1 4.48Å; N75-I118 HydrophobicContact CB-CG1 4.18Å; N75-I118 PolarHBondContact OD1-N 3.48Å; N75-Y119 HydrophobicContact CB-CE2 3.88Å; N75-G149 PolarHBondContact ND2-O 3.05Å; N75-G149 VanDerWaalsContact ND2-O 3.1Å
76	F	98.9	Very high	98.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.4	-40.8	-176.7	-175.6	-100.5	0	0	0	112.5	V46 F48 I62 V64 T72 V73 L79 A80 Y88 L138 F152 F169	V46-F76 HydrophobicContact CB-CD1 4.4Å; V46-F76 HydrophobicContact CB-CE1 3.82Å; V46-F76 HydrophobicContact CG1-CE1 3.78Å; V46-F76 HydrophobicContact CG1-CZ 4.41Å; V46-F76 HydrophobicContact CG2-CD1 3.92Å; V46-F76 HydrophobicContact CG2-CE1 3.86Å; F48-F76 HydrophobicContact CE1-CZ 4.46Å; F48-F76 HydrophobicContact CE2-CE2 4.47Å; F48-F76 AromaticContact CE2-CZ 3.8Å; F48-F76 HydrophobicContact CE2-CZ 3.8Å; F48-F76 HydrophobicContact CZ-CE1 4.19Å; F48-F76 HydrophobicContact CZ-CE2 4Å; F48-F76 AromaticContact CZ-CZ 3.41Å; F48-F76 HydrophobicContact CZ-CZ 3.41Å; F48-F76 VanDerWaalsContact CZ-CZ 3.41Å; I62-F76 HydrophobicContact CD1-CZ 4.19Å; V64-F76 HydrophobicContact CG1-CD1 4.07Å; V64-F76 HydrophobicContact CG1-CE1 4.34Å; T72-F76 PolarHBondContact O-N 2.92Å; T72-F76 VanDerWaalsContact O-N 3.09Å; V73-F76 PolarHBondContact O-N 3.4Å; F76-L79 PolarHBondContact O-N 3.39Å; F76-A80 WeakPolarHBondContact O-CB 3.44Å; F76-A80 PolarHBondContact O-N 2.89Å; F76-Y88 AromaticContact CD2-CE2 3.49Å; F76-Y88 HydrophobicContact CD2-CE2 3.49Å; F76-Y88 VanDerWaalsContact CD2-CE2 3.49Å; F76-Y88 AromaticContact CD2-CZ 3.77Å; F76-Y88 VanDerWaalsContact CD2-OH 3.29Å; F76-Y88 WeakPolarHBondContact CD2-OH 3.4Å; F76-Y88 HydrophobicContact CE2-CD2 4.44Å; F76-Y88 AromaticContact CE2-CE2 3.59Å; F76-Y88 HydrophobicContact CE2-CE2 3.59Å; F76-Y88 AromaticContact CE2-CZ 3.96Å; F76-Y88 HydrophobicContact CG-CE2 4.15Å; F76-Y88 HydrophobicContact CZ-CE2 4.33Å; F76-L138 HydrophobicContact CD1-CD2 4.32Å; F76-L138 HydrophobicContact CE1-CD2 3.78Å; F76-L138 HydrophobicContact CE2-CD1 4.47Å; F76-L138 HydrophobicContact CE2-CD2 4.03Å; F76-L138 HydrophobicContact CZ-CD1 4.42Å; F76-L138 HydrophobicContact CZ-CD2 3.62Å; F76-F152 HydrophobicContact CD2-CD1 4.37Å; F76-F152 HydrophobicContact CE2-CB 4.42Å; F76-F152 AromaticContact CE2-CD1 3.67Å; F76-F152 HydrophobicContact CE2-CD1 3.67Å; F76-F152 HydrophobicContact CE2-CD2 4.37Å; F76-F152 AromaticContact CE2-CE1 3.93Å; F76-F152 HydrophobicContact CE2-CE1 3.93Å; F76-F152 AromaticContact CE2-CG 3.9Å; F76-F152 HydrophobicContact CE2-CG 3.9Å; F76-F152 HydrophobicContact CE2-CZ 4.39Å; F76-F169 HydrophobicContact CB-CD2 4.38Å; F76-F169 HydrophobicContact CB-CE2 3.61Å; F76-F169 HydrophobicContact CB-CZ 4.24Å; F76-F169 AromaticContact CD1-CE2 3.83Å; F76-F169 HydrophobicContact CD1-CE2 3.83Å; F76-F169 AromaticContact CD2-CE2 3.59Å; F76-F169 HydrophobicContact CD2-CE2 3.59Å; F76-F169 AromaticContact CD2-CZ 3.59Å; F76-F169 HydrophobicContact CD2-CZ 3.59Å; F76-F169 HydrophobicContact CE1-CE2 4.35Å; F76-F169 HydrophobicContact CE2-CE2 4.16Å; F76-F169 HydrophobicContact CE2-CZ 4.02Å; F76-F169 HydrophobicContact CG-CD2 4.49Å; F76-F169 AromaticContact CG-CE2 3.41Å; F76-F169 HydrophobicContact CG-CE2 3.41Å; F76-F169 VanDerWaalsContact CG-CE2 3.41Å; F76-F169 AromaticContact CG-CZ 3.93Å; F76-F169 HydrophobicContact CG-CZ 3.93Å; F76-F169 HydrophobicContact CZ-CE2 4.5Å
77	V	98.9	Very high	98.6	Very high	17 Å²	17	45.9 Å²	45.9	10%	0.103	26%	0.256	C	S	.	.	H	α-helix	trans	-65.9	-46.3	177.8	171.3	0	0	0	0	110.9	V46 V64 V73 N75 L79 A80 T81 K204	V46-V77 HydrophobicContact CG2-CG2 3.91Å; V64-V77 HydrophobicContact CG2-CG2 4.14Å; V73-V77 HydrophobicContact CG1-CG2 4.09Å; V73-V77 WeakPolarHBondContact O-CB 3.49Å; V73-V77 VanDerWaalsContact O-CG2 3.3Å; V73-V77 WeakPolarHBondContact O-CG2 3.49Å; V73-V77 PolarHBondContact O-N 3.2Å; N75-V77 PolarHBondContact O-N 2.65Å; V77-L79 VanDerWaalsContact C-N 3.29Å; V77-L79 PolarHBondContact O-N 3.41Å; V77-A80 WeakPolarHBondContact O-CB 3.15Å; V77-A80 PolarHBondContact O-N 3Å; V77-A80 VanDerWaalsContact O-N 3.09Å; V77-T81 HydrophobicContact CG1-CG2 4.49Å; V77-T81 WeakPolarHBondContact O-CG2 3.49Å; V77-T81 PolarHBondContact O-N 2.94Å; V77-T81 PolarHBondContact O-OG1 3.12Å; V77-K204 HydrophobicContact CG1-CB 4.24Å; V77-K204 HydrophobicContact CG1-CD 3.78Å; V77-K204 HydrophobicContact CG1-CG 3.97Å
78	A	98.8	Very high	98.7	Very high	4 Å²	4	38 Å²	38	3%	0.033	22%	0.222	C	C	.	.	H	α-helix	trans	-64.2	-34.7	178.5	0	0	0	0	0	112.5	D74 N75 T81 G82 E83 I118	D74-A78 VanDerWaalsContact O-CB 3.23Å; D74-A78 WeakPolarHBondContact O-CB 3.17Å; D74-A78 PolarHBondContact O-N 2.71Å; N75-A78 PolarHBondContact O-N 3.4Å; A78-T81 PolarHBondContact O-OG1 3.39Å; A78-T81 VanDerWaalsContact O-OG1 3.12Å; A78-G82 PolarHBondContact O-N 2.91Å; A78-E83 HydrophobicContact CB-CG 3.92Å; A78-E83 PolarHBondContact O-N 2.87Å; A78-I118 HydrophobicContact CB-CD1 4.09Å; A78-I118 HydrophobicContact CB-CG2 3.76Å
79	L	98.9	Very high	98.7	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-70.2	-32.7	172.7	-70.4	173.7	0	0	0	112.3	N75 F76 V77 F86 G87 Y88 F107 I118	N75-L79 WeakPolarHBondContact O-CB 3.46Å; N75-L79 VanDerWaalsContact O-CG 3.24Å; N75-L79 WeakPolarHBondContact O-CG 3.47Å; N75-L79 PolarHBondContact O-N 3.45Å; F76-L79 PolarHBondContact O-N 3.39Å; V77-L79 VanDerWaalsContact C-N 3.29Å; V77-L79 PolarHBondContact O-N 3.41Å; L79-F86 HydrophobicContact CD2-CD2 3.65Å; L79-F86 HydrophobicContact CD2-CE2 3.65Å; L79-G87 CarbonylContact O-C 3.5Å; L79-G87 WeakPolarHBondContact O-CA 3.02Å; L79-Y88 HydrophobicContact CB-CD2 3.79Å; L79-Y88 HydrophobicContact CB-CE1 4.18Å; L79-Y88 HydrophobicContact CB-CE2 3.39Å; L79-Y88 HydrophobicContact CB-CG 4.33Å; L79-Y88 HydrophobicContact CD1-CE1 4.11Å; L79-Y88 HydrophobicContact CD1-CE2 4.26Å; L79-Y88 WeakPolarHBondContact CD1-OH 3.24Å; L79-Y88 HydrophobicContact CG-CE2 4.48Å; L79-Y88 PolarHBondContact O-N 3.36Å; L79-F107 HydrophobicContact CD1-CE1 4.43Å; L79-F107 HydrophobicContact CD2-CE1 3.59Å; L79-F107 HydrophobicContact CD2-CZ 3.99Å; L79-I118 HydrophobicContact CD2-CG2 4.41Å; L79-I118 HydrophobicContact CG-CG2 4.34Å
80	A	98.9	Very high	98.7	Very high	2 Å²	2	45.8 Å²	45.8	2%	0.017	27%	0.269	C	S	.	.	H	α-helix	trans	-72.2	-36.2	174.2	0	0	0	0	0	112.7	V46 F48 F76 V77 Y88 C202	V46-A80 HydrophobicContact CB-CB 4.48Å; V46-A80 HydrophobicContact CG1-CB 3.53Å; V46-A80 HydrophobicContact CG2-CB 4.1Å; F48-A80 HydrophobicContact CE1-CB 4.42Å; F76-A80 WeakPolarHBondContact O-CB 3.44Å; F76-A80 PolarHBondContact O-N 2.89Å; V77-A80 WeakPolarHBondContact O-CB 3.15Å; V77-A80 PolarHBondContact O-N 3Å; V77-A80 VanDerWaalsContact O-N 3.09Å; A80-Y88 HydrophobicContact CB-CD2 4.16Å; A80-C202 CarbonylContact O-C 3.53Å; A80-C202 PolarHBondContact O-SG 3.4Å
81	T	98.8	Very high	98.7	Very high	59 Å²	59	43.5 Å²	43.5	36%	0.362	26%	0.255	S	S	.	.	H	α-helix	trans	-78.8	-24.1	176	60.7	0	0	0	0	112.8	V77 A78 E83 K204	V77-T81 HydrophobicContact CG1-CG2 4.49Å; V77-T81 WeakPolarHBondContact O-CG2 3.49Å; V77-T81 PolarHBondContact O-N 2.94Å; V77-T81 PolarHBondContact O-OG1 3.12Å; A78-T81 PolarHBondContact O-OG1 3.39Å; A78-T81 VanDerWaalsContact O-OG1 3.12Å; T81-E83 PolarHBondContact O-N 2.68Å; T81-E83 WeakPolarHBondContact OG1-CG 3.4Å; T81-E83 PolarHBondContact OG1-N 3.25Å; T81-K204 HydrophobicContact CG2-CB 3.76Å
82	G	98.6	Very high	98.7	Very high	29 Å²	29	39.3 Å²	39.3	30%	0.299	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	15.5	-174.2	0	0	0	0	0	113.5	A78 K84 G85	A78-G82 PolarHBondContact O-N 2.91Å; G82-K84 PolarHBondContact O-N 2.94Å; G82-G85 PolarHBondContact O-N 3.09Å
83	E	98.4	Very high	98.7	Very high	122 Å²	122	39.4 Å²	39.4	57%	0.57	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-17	-173.3	65.7	173	-132.8	0	0	114.2	A78 T81	A78-E83 HydrophobicContact CB-CG 3.92Å; A78-E83 PolarHBondContact O-N 2.87Å; T81-E83 PolarHBondContact O-N 2.68Å; T81-E83 WeakPolarHBondContact OG1-CG 3.4Å; T81-E83 PolarHBondContact OG1-N 3.25Å
84	K	98.1	Very high	98.7	Very high	108 Å²	108	40 Å²	40	47%	0.47	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	8	175.6	-54.5	-53.6	179.8	-158.6	0	113.4	G82 F86 I118	G82-K84 PolarHBondContact O-N 2.94Å; K84-F86 VanDerWaalsContact C-N 3.31Å; K84-F86 HydrophobicContact CB-CD1 4.21Å; K84-F86 HydrophobicContact CB-CE1 3.7Å; K84-F86 HydrophobicContact CB-CE2 4.37Å; K84-F86 HydrophobicContact CB-CZ 3.79Å; K84-F86 VanDerWaalsContact O-CD1 3.25Å; K84-F86 WeakPolarHBondContact O-CD1 3.23Å; K84-F86 WeakPolarHBondContact O-CE1 3.46Å; K84-I118 HydrophobicContact CG-CB 4.31Å; K84-I118 HydrophobicContact CG-CG2 3.83Å
85	G	98.4	Very high	98.7	Very high	76 Å²	76	40.3 Å²	40.3	78%	0.784	23%	0.234	S	C	*	.	S	Bend	trans	80.9	7.3	-177.5	0	0	0	0	0	114.4	G82	G82-G85 PolarHBondContact O-N 3.09Å
86	F	98.6	Very high	98.7	Very high	52 Å²	52	40.4 Å²	40.4	23%	0.228	23%	0.234	C	C	.	.			trans	-149.7	154.1	174.5	55.3	-94.4	0	0	0	109.2	L79 K84 F107 K116	L79-F86 HydrophobicContact CD2-CD2 3.65Å; L79-F86 HydrophobicContact CD2-CE2 3.65Å; K84-F86 VanDerWaalsContact C-N 3.31Å; K84-F86 HydrophobicContact CB-CD1 4.21Å; K84-F86 HydrophobicContact CB-CE1 3.7Å; K84-F86 HydrophobicContact CB-CE2 4.37Å; K84-F86 HydrophobicContact CB-CZ 3.79Å; K84-F86 VanDerWaalsContact O-CD1 3.25Å; K84-F86 WeakPolarHBondContact O-CD1 3.23Å; K84-F86 WeakPolarHBondContact O-CE1 3.46Å; F86-F107 HydrophobicContact CB-CE2 3.93Å; F86-F107 HydrophobicContact CB-CZ 4.43Å; F86-F107 HydrophobicContact CD2-CE1 4.31Å; F86-F107 AromaticContact CD2-CE2 3.81Å; F86-F107 HydrophobicContact CD2-CE2 3.81Å; F86-F107 AromaticContact CD2-CZ 3.46Å; F86-F107 HydrophobicContact CD2-CZ 3.46Å; F86-F107 VanDerWaalsContact CD2-CZ 3.46Å; F86-F107 HydrophobicContact CE2-CZ 4.11Å; F86-F107 HydrophobicContact CG-CE2 4.19Å; F86-F107 HydrophobicContact CG-CZ 4.29Å; F86-K116 HydrophobicContact CE2-CG 4.3Å
87	G	98.7	Very high	98.7	Very high	15 Å²	15	42.1 Å²	42.1	16%	0.155	24%	0.243	C	C	.	.			trans	174.1	-168.6	-174.1	0	0	0	0	0	115.1	L79 F107	L79-G87 CarbonylContact O-C 3.5Å; L79-G87 WeakPolarHBondContact O-CA 3.02Å; G87-F107 WeakPolarHBondContact O-CB 3.17Å; G87-F107 WeakPolarHBondContact O-CG 3.16Å
88	Y	98.9	Very high	98.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.264	C	S	.	.	S	Bend	trans	-79.1	-20	-171.6	-63.9	-47.1	0	0	0	115	F48 F76 L79 A80 G90 S91 F107 S150 F152	F48-Y88 HydrophobicContact CE1-CD2 4.11Å; F48-Y88 HydrophobicContact CZ-CD2 4.02Å; F76-Y88 AromaticContact CD2-CE2 3.49Å; F76-Y88 HydrophobicContact CD2-CE2 3.49Å; F76-Y88 VanDerWaalsContact CD2-CE2 3.49Å; F76-Y88 AromaticContact CD2-CZ 3.77Å; F76-Y88 VanDerWaalsContact CD2-OH 3.29Å; F76-Y88 WeakPolarHBondContact CD2-OH 3.4Å; F76-Y88 HydrophobicContact CE2-CD2 4.44Å; F76-Y88 AromaticContact CE2-CE2 3.59Å; F76-Y88 HydrophobicContact CE2-CE2 3.59Å; F76-Y88 AromaticContact CE2-CZ 3.96Å; F76-Y88 HydrophobicContact CG-CE2 4.15Å; F76-Y88 HydrophobicContact CZ-CE2 4.33Å; L79-Y88 HydrophobicContact CB-CD2 3.79Å; L79-Y88 HydrophobicContact CB-CE1 4.18Å; L79-Y88 HydrophobicContact CB-CE2 3.39Å; L79-Y88 HydrophobicContact CB-CG 4.33Å; L79-Y88 HydrophobicContact CD1-CE1 4.11Å; L79-Y88 HydrophobicContact CD1-CE2 4.26Å; L79-Y88 WeakPolarHBondContact CD1-OH 3.24Å; L79-Y88 HydrophobicContact CG-CE2 4.48Å; L79-Y88 PolarHBondContact O-N 3.36Å; A80-Y88 HydrophobicContact CB-CD2 4.16Å; Y88-G90 PolarHBondContact O-N 2.96Å; Y88-S91 VanDerWaalsContact O-CB 3.25Å; Y88-S91 WeakPolarHBondContact O-CB 3.26Å; Y88-S91 PolarHBondContact O-N 3.32Å; Y88-S91 PolarHBondContact O-OG 2.98Å; Y88-F107 HydrophobicContact CD1-CD1 4.36Å; Y88-F107 HydrophobicContact CE1-CD1 4.48Å; Y88-S150 VanDerWaalsContact CE1-O 3.28Å; Y88-S150 WeakPolarHBondContact CE1-O 3.25Å; Y88-S150 PolarHBondContact OH-O 2.65Å; Y88-F152 HydrophobicContact CD1-CE1 4.14Å; Y88-F152 HydrophobicContact CE1-CD1 4.02Å; Y88-F152 AromaticContact CE1-CE1 3.87Å; Y88-F152 HydrophobicContact CE1-CE1 3.87Å; Y88-F152 HydrophobicContact CE2-CE1 4.38Å; Y88-F152 AromaticContact CZ-CD1 3.93Å; Y88-F152 AromaticContact CZ-CE1 3.99Å
89	K	98.8	Very high	98.7	Very high	134 Å²	134	53 Å²	53	58%	0.583	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	125.4	-179.5	-173.5	167.2	-178.7	160.3	0	110.6	S91 H200 D201 C202	K89-S91 VanDerWaalsContact C-N 3.26Å; K89-S91 PolarHBondContact O-N 2.88Å; K89-H200 WeakPolarHBondContact CE-O 3.18Å; K89-D201 VanDerWaalsContact CE-OD1 3.3Å; K89-D201 WeakPolarHBondContact CE-OD1 3.39Å; K89-D201 IonicContact NZ-OD1 3.45Å; K89-D201 PolarHBondContact NZ-OD1 3.25Å; K89-C202 PolarHBondContact N-SG 2.86Å; K89-C202 VanDerWaalsContact N-SG 3.37Å
90	G	98.6	Very high	98.7	Very high	57 Å²	57	55 Å²	55	59%	0.588	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.8	-6.9	-175.3	0	0	0	0	0	115.1	Y88 I199	Y88-G90 PolarHBondContact O-N 2.96Å; G90-I199 PolarHBondContact N-O 3.2Å
91	S	98.8	Very high	98.6	Very high	8 Å²	8	55.1 Å²	55.1	6%	0.056	30%	0.299	C	S	.	.			trans	-75.9	169.6	174	77.9	0	0	0	0	111.7	Y88 K89 T198 I199	Y88-S91 VanDerWaalsContact O-CB 3.25Å; Y88-S91 WeakPolarHBondContact O-CB 3.26Å; Y88-S91 PolarHBondContact O-N 3.32Å; Y88-S91 PolarHBondContact O-OG 2.98Å; K89-S91 VanDerWaalsContact C-N 3.26Å; K89-S91 PolarHBondContact O-N 2.88Å; S91-T198 WeakPolarHBondContact O-CA 3.2Å; S91-I199 PolarHBondContact O-N 3.18Å
92	K	98.6	Very high	98.7	Very high	45 Å²	45	52.3 Å²	52.3	20%	0.196	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-127.1	157.6	-174	63	-174.7	167.2	-159.7	0	115	H94 G104 G110 D196 V197 T198	K92-H94 HydrophobicContact CG-CB 4.37Å; K92-H94 PolarHBondContact O-N 3.02Å; K92-G104 WeakPolarHBondContact O-CA 3.48Å; K92-G110 WeakPolarHBondContact CE-O 3.36Å; K92-D196 IonicContact NZ-OD1 2.73Å; K92-D196 IonicContact NZ-OD2 3.39Å; K92-D196 PolarHBondContact NZ-OD2 2.95Å; K92-V197 CarbonylContact C-O 3.59Å; K92-V197 WeakPolarHBondContact CA-O 3.5Å; K92-V197 VanDerWaalsContact CB-O 3.22Å; K92-V197 WeakPolarHBondContact CB-O 3.46Å; K92-T198 HydrophobicContact CB-CG2 4.31Å
93	F	98.9	Very high	98.7	Very high	3 Å²	3	52.1 Å²	52.1	1%	0.013	27%	0.273	C	S	.	.			trans	-78.5	95.9	161.6	-66.7	-93	0	0	0	108.2	I50 V96 I102 Q103 F152 I182 V197 I199	I50-F93 HydrophobicContact CD1-CE2 3.84Å; F93-V96 HydrophobicContact CB-CG2 4.38Å; F93-I102 HydrophobicContact CD1-CB 4.04Å; F93-I102 HydrophobicContact CD1-CD1 4.04Å; F93-I102 HydrophobicContact CD1-CG1 4.06Å; F93-I102 HydrophobicContact CE1-CB 4.44Å; F93-I102 HydrophobicContact CE1-CD1 3.74Å; F93-I102 HydrophobicContact CE1-CG1 3.95Å; F93-I102 HydrophobicContact CZ-CD1 4.28Å; F93-Q103 CarbonylContact C-O 3.45Å; F93-Q103 WeakPolarHBondContact CA-O 3.25Å; F93-F152 AromaticContact CE1-CE2 3.89Å; F93-F152 HydrophobicContact CE1-CE2 3.89Å; F93-F152 HydrophobicContact CE1-CZ 4.24Å; F93-F152 HydrophobicContact CZ-CE2 4.16Å; F93-F152 HydrophobicContact CZ-CZ 4.21Å; F93-I182 HydrophobicContact CD2-CD1 4.49Å; F93-I182 HydrophobicContact CE2-CD1 4.3Å; F93-V197 HydrophobicContact CB-CB 4.16Å; F93-V197 HydrophobicContact CB-CG1 4.25Å; F93-V197 HydrophobicContact CD2-CB 4.44Å; F93-V197 HydrophobicContact CD2-CG1 3.76Å; F93-V197 HydrophobicContact CG-CG1 4.34Å; F93-V197 PolarHBondContact N-O 2.81Å; F93-I199 HydrophobicContact CD2-CG1 4.5Å; F93-I199 HydrophobicContact CE2-CD1 4.2Å; F93-I199 HydrophobicContact CE2-CG1 3.82Å; F93-I199 HydrophobicContact CZ-CD1 4.49Å
94	H	98.8	Very high	98.7	Very high	17 Å²	17	46.3 Å²	46.3	8%	0.079	25%	0.246	C	C	.	.			trans	-84.5	-12.7	-172.9	60.6	-91	0	0	0	113	K92 Q103 G110 G112 Q151	K92-H94 HydrophobicContact CG-CB 4.37Å; K92-H94 PolarHBondContact O-N 3.02Å; H94-Q103 PolarHBondContact N-O 3.45Å; H94-Q103 VanDerWaalsContact N-O 3.1Å; H94-G110 VanDerWaalsContact CB-O 3.32Å; H94-G110 WeakPolarHBondContact CB-O 3.21Å; H94-G112 VanDerWaalsContact NE2-CA 3.3Å; H94-G112 WeakPolarHBondContact NE2-CA 3.02Å; H94-Q151 PolarHBondContact CE1-OE1 2.94Å; H94-Q151 PolarHBondContact NE2-OE1 2.79Å
95	R	98.8	Very high	98.7	Very high	98 Å²	98	41.2 Å²	41.2	37%	0.37	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	123.9	179.6	-167.7	-173.7	-175.1	-166.4	1.8	110.7	M101 Q103 D191	R95-M101 HydrophobicContact CG-CE 4.16Å; R95-Q103 HydrophobicContact CB-CB 4.22Å; R95-Q103 PolarHBondContact N-O 2.83Å; R95-Q103 PolarHBondContact O-N 3.29Å; R95-D191 CarbonylContact C-O 3.52Å; R95-D191 WeakPolarHBondContact CA-O 3.44Å; R95-D191 HydrophobicContact CG-CB 3.83Å; R95-D191 IonicContact NE-OD2 3.67Å; R95-D191 PolarHBondContact NE-OD2 3.19Å; R95-D191 IonicContact NH2-OD2 2.85Å
96	V	98.9	Very high	98.7	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.012	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	118.3	-177.2	169.8	0	0	0	0	108.9	F93 I102 I182 T185 T187 D191 P193	F93-V96 HydrophobicContact CB-CG2 4.38Å; V96-I102 HydrophobicContact CB-CG2 4.48Å; V96-I102 HydrophobicContact CG1-CG2 4Å; V96-I102 HydrophobicContact CG2-CB 4.3Å; V96-I102 HydrophobicContact CG2-CG2 4.07Å; V96-I182 HydrophobicContact CG2-CG2 3.95Å; V96-T185 HydrophobicContact CG1-CG2 4.34Å; V96-T187 HydrophobicContact CB-CG2 4.08Å; V96-T187 HydrophobicContact CG1-CG2 4.34Å; V96-D191 PolarHBondContact N-O 2.87Å; V96-P193 HydrophobicContact CB-CG 4.09Å; V96-P193 HydrophobicContact CG2-CG 3.6Å
97	I	98.7	Very high	98.7	Very high	35 Å²	35	37.2 Å²	37.2	18%	0.179	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	114.9	178.6	-57.4	175.4	0	0	0	108.4	F100 M101 D191	I97-F100 HydrophobicContact CB-CB 4.02Å; I97-F100 HydrophobicContact CB-CD1 3.96Å; I97-F100 HydrophobicContact CB-CG 4.48Å; I97-F100 HydrophobicContact CD1-CD1 3.81Å; I97-F100 HydrophobicContact CD1-CE1 4.2Å; I97-F100 HydrophobicContact CG1-CD1 4.45Å; I97-F100 HydrophobicContact CG2-CB 3.78Å; I97-F100 HydrophobicContact CG2-CD1 3.98Å; I97-F100 HydrophobicContact CG2-CG 4.41Å; I97-F100 PolarHBondContact O-N 3.1Å; I97-M101 HydrophobicContact CB-CE 4.15Å; I97-M101 HydrophobicContact CD1-CE 3.63Å; I97-M101 HydrophobicContact CG1-CE 3.76Å; I97-M101 PolarHBondContact N-O 3.04Å; I97-M101 PolarHBondContact O-N 3.23Å; I97-M101 VanDerWaalsContact O-N 3.07Å; I97-D191 HydrophobicContact CD1-CB 4.42Å; I97-D191 WeakPolarHBondContact CD1-OD2 2.94Å; I97-D191 HydrophobicContact CG1-CB 3.75Å
98	K	98.5	Very high	98.7	Very high	128 Å²	128	40.1 Å²	40.1	56%	0.557	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	139.5	177.9	-177.9	167.5	176.9	161.2	0	111.2	F100 E183 N184	K98-F100 PolarHBondContact O-N 3.39Å; K98-E183 HydrophobicContact CB-CG 4.33Å; K98-E183 HydrophobicContact CG-CG 4.31Å; K98-N184 WeakPolarHBondContact CE-OD1 3.4Å; K98-N184 PolarHBondContact NZ-OD1 3.3Å
99	Q	98.3	Very high	98.7	Very high	121 Å²	121	48.2 Å²	48.2	57%	0.565	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.8	33.5	-172.4	-59.1	-63	-76	0	0	113.1	V157 E183	Q99-V157 HydrophobicContact CB-CG1 4.32Å; Q99-V157 VanDerWaalsContact O-CG2 3.24Å; Q99-V157 WeakPolarHBondContact O-CG2 3.46Å; Q99-E183 WeakPolarHBondContact CA-OE1 3.4Å; Q99-E183 PolarHBondContact N-OE1 2.85Å; Q99-E183 PolarHBondContact NE2-OE1 3.29Å
100	F	98.7	Very high	98.6	Very high	45 Å²	45	42.4 Å²	42.4	20%	0.197	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-146	-77.3	174.7	-178.4	-155	0	0	0	111.6	I97 K98 T156 T159 W161 L162	I97-F100 HydrophobicContact CB-CB 4.02Å; I97-F100 HydrophobicContact CB-CD1 3.96Å; I97-F100 HydrophobicContact CB-CG 4.48Å; I97-F100 HydrophobicContact CD1-CD1 3.81Å; I97-F100 HydrophobicContact CD1-CE1 4.2Å; I97-F100 HydrophobicContact CG1-CD1 4.45Å; I97-F100 HydrophobicContact CG2-CB 3.78Å; I97-F100 HydrophobicContact CG2-CD1 3.98Å; I97-F100 HydrophobicContact CG2-CG 4.41Å; I97-F100 PolarHBondContact O-N 3.1Å; K98-F100 PolarHBondContact O-N 3.39Å; F100-T156 PolarHBondContact N-OG1 3.18Å; F100-T156 PolarHBondContact O-N 3.22Å; F100-T156 PolarHBondContact O-OG1 3.33Å; F100-T159 HydrophobicContact CD2-CG2 3.65Å; F100-T159 HydrophobicContact CE2-CG2 3.8Å; F100-W161 AromaticContact CD2-CZ2 3.77Å; F100-W161 HydrophobicContact CD2-CZ2 3.77Å; F100-W161 AromaticContact CE2-CZ2 3.73Å; F100-W161 HydrophobicContact CE2-CZ2 3.73Å; F100-W161 AromaticContact CE2-NE1 3.76Å; F100-L162 HydrophobicContact CE2-CD1 3.89Å; F100-L162 HydrophobicContact CZ-CD1 4.13Å
101	M	98.8	Very high	98.6	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.02	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.2	162	-172.4	63.3	83	-146	0	0	113.1	R95 I97 Q103 F153 I154	R95-M101 HydrophobicContact CG-CE 4.16Å; I97-M101 HydrophobicContact CB-CE 4.15Å; I97-M101 HydrophobicContact CD1-CE 3.63Å; I97-M101 HydrophobicContact CG1-CE 3.76Å; I97-M101 PolarHBondContact N-O 3.04Å; I97-M101 PolarHBondContact O-N 3.23Å; I97-M101 VanDerWaalsContact O-N 3.07Å; M101-Q103 HydrophobicContact CE-CB 4.19Å; M101-Q103 HydrophobicContact SD-CB 3.56Å; M101-Q103 VanDerWaalsContact SD-CB 3.56Å; M101-F153 HydrophobicContact CB-CB 4.3Å; M101-F153 HydrophobicContact CB-CD2 4.02Å; M101-F153 HydrophobicContact CG-CB 4.39Å; M101-F153 HydrophobicContact CG-CD2 4.4Å; M101-F153 HydrophobicContact SD-CB 3.89Å; M101-I154 VanDerWaalsContact CA-O 3.26Å; M101-I154 WeakPolarHBondContact CA-O 3.42Å; M101-I154 WeakPolarHBondContact CB-O 3.45Å
102	I	98.9	Very high	98.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	128.3	166	62.6	170.9	0	0	0	109	F93 V96 F153 I154 V179 I182 E183	F93-I102 HydrophobicContact CD1-CB 4.04Å; F93-I102 HydrophobicContact CD1-CD1 4.04Å; F93-I102 HydrophobicContact CD1-CG1 4.06Å; F93-I102 HydrophobicContact CE1-CB 4.44Å; F93-I102 HydrophobicContact CE1-CD1 3.74Å; F93-I102 HydrophobicContact CE1-CG1 3.95Å; F93-I102 HydrophobicContact CZ-CD1 4.28Å; V96-I102 HydrophobicContact CB-CG2 4.48Å; V96-I102 HydrophobicContact CG1-CG2 4Å; V96-I102 HydrophobicContact CG2-CB 4.3Å; V96-I102 HydrophobicContact CG2-CG2 4.07Å; I102-F153 CarbonylContact O-C 3.43Å; I102-F153 WeakPolarHBondContact O-CA 3.4Å; I102-F153 WeakPolarHBondContact O-CB 3.32Å; I102-I154 HydrophobicContact CD1-CB 4.37Å; I102-I154 HydrophobicContact CD1-CD1 4.4Å; I102-I154 HydrophobicContact CG1-CB 3.87Å; I102-I154 PolarHBondContact N-O 3.28Å; I102-I154 PolarHBondContact O-N 2.87Å; I102-V179 HydrophobicContact CD1-CB 4.35Å; I102-V179 HydrophobicContact CD1-CG1 3.79Å; I102-V179 HydrophobicContact CD1-CG2 4.33Å; I102-V179 HydrophobicContact CG1-CG1 4.32Å; I102-I182 HydrophobicContact CB-CG2 4.2Å; I102-I182 HydrophobicContact CD1-CB 4.12Å; I102-I182 HydrophobicContact CD1-CD1 3.75Å; I102-I182 HydrophobicContact CD1-CG2 3.99Å; I102-I182 HydrophobicContact CG2-CB 4.36Å; I102-I182 HydrophobicContact CG2-CG2 3.8Å; I102-E183 HydrophobicContact CG2-CB 4.29Å
103	Q	98.9	Very high	98.5	Very high	25 Å²	25	47.2 Å²	47.2	12%	0.117	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	133.4	-175.2	173.4	179.4	-4.7	0	0	111.3	F93 H94 R95 M101 F152 F153	F93-Q103 CarbonylContact C-O 3.45Å; F93-Q103 WeakPolarHBondContact CA-O 3.25Å; H94-Q103 PolarHBondContact N-O 3.45Å; H94-Q103 VanDerWaalsContact N-O 3.1Å; R95-Q103 HydrophobicContact CB-CB 4.22Å; R95-Q103 PolarHBondContact N-O 2.83Å; R95-Q103 PolarHBondContact O-N 3.29Å; M101-Q103 HydrophobicContact CE-CB 4.19Å; M101-Q103 HydrophobicContact SD-CB 3.56Å; M101-Q103 VanDerWaalsContact SD-CB 3.56Å; Q103-F152 WeakPolarHBondContact CA-O 2.94Å; Q103-F153 HydrophobicContact CB-CB 4.06Å
104	G	98.9	Very high	98.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	-160.7	-179.1	0	0	0	0	0	112.2	K92 Q151 F152	K92-G104 WeakPolarHBondContact O-CA 3.48Å; G104-Q151 VanDerWaalsContact O-CA 3.25Å; G104-Q151 WeakPolarHBondContact O-CA 3.3Å; G104-F152 PolarHBondContact N-O 3.41Å; G104-F152 PolarHBondContact O-N 2.94Å
105	G	98.6	Very high	98.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.243	C	C	.	.			trans	86.1	2.7	174	0	0	0	0	0	115.9	F107 S150	G105-F107 PolarHBondContact O-N 2.91Å; G105-S150 CarbonylContact O-C 3.52Å; G105-S150 VanDerWaalsContact O-CB 3.3Å; G105-S150 WeakPolarHBondContact O-CB 3.46Å; G105-S150 PolarHBondContact O-OG 3.01Å
106	D	98.8	Very high	98.4	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-81.7	89.7	164.3	-179	-1.5	0	0	0	109.1	T108 R109 G110 D111 G112 T113 G114 G115 Q151	D106-T108 PolarHBondContact OD1-N 2.81Å; D106-T108 PolarHBondContact OD1-OG1 2.94Å; D106-R109 PolarHBondContact OD1-N 3.1Å; D106-G110 VanDerWaalsContact O-CA 3.24Å; D106-G110 WeakPolarHBondContact O-CA 3.41Å; D106-G110 PolarHBondContact O-N 3.38Å; D106-G110 PolarHBondContact OD1-N 3.12Å; D106-G110 PolarHBondContact OD2-N 3.07Å; D106-G110 VanDerWaalsContact OD2-N 3.15Å; D106-D111 PolarHBondContact OD2-N 2.86Å; D106-D111 VanDerWaalsContact OD2-N 3.08Å; D106-G112 WeakPolarHBondContact OD2-CA 3.31Å; D106-G112 PolarHBondContact OD2-N 2.89Å; D106-T113 PolarHBondContact OD2-N 2.95Å; D106-G114 VanDerWaalsContact OD1-C 3.25Å; D106-G114 VanDerWaalsContact OD1-CA 3.27Å; D106-G114 WeakPolarHBondContact OD1-CA 3.22Å; D106-G114 PolarHBondContact OD2-N 3.46Å; D106-G115 PolarHBondContact OD1-N 2.78Å; D106-G115 VanDerWaalsContact OD1-N 3.14Å; D106-Q151 HydrophobicContact CB-CG 3.94Å
107	F	98.6	Very high	98.4	Very high	43 Å²	43	46.7 Å²	46.7	19%	0.189	24%	0.241	C	C	.	.			trans	-88.4	-6.2	179.4	60.7	-103	0	0	0	113.7	L79 F86 G87 Y88 G105 K116 S150	L79-F107 HydrophobicContact CD1-CE1 4.43Å; L79-F107 HydrophobicContact CD2-CE1 3.59Å; L79-F107 HydrophobicContact CD2-CZ 3.99Å; F86-F107 HydrophobicContact CB-CE2 3.93Å; F86-F107 HydrophobicContact CB-CZ 4.43Å; F86-F107 HydrophobicContact CD2-CE1 4.31Å; F86-F107 AromaticContact CD2-CE2 3.81Å; F86-F107 HydrophobicContact CD2-CE2 3.81Å; F86-F107 AromaticContact CD2-CZ 3.46Å; F86-F107 HydrophobicContact CD2-CZ 3.46Å; F86-F107 VanDerWaalsContact CD2-CZ 3.46Å; F86-F107 HydrophobicContact CE2-CZ 4.11Å; F86-F107 HydrophobicContact CG-CE2 4.19Å; F86-F107 HydrophobicContact CG-CZ 4.29Å; G87-F107 WeakPolarHBondContact O-CB 3.17Å; G87-F107 WeakPolarHBondContact O-CG 3.16Å; Y88-F107 HydrophobicContact CD1-CD1 4.36Å; Y88-F107 HydrophobicContact CE1-CD1 4.48Å; G105-F107 PolarHBondContact O-N 2.91Å; F107-K116 HydrophobicContact CE2-CG 4.18Å; F107-K116 HydrophobicContact CZ-CG 3.72Å; F107-K116 WeakPolarHBondContact CZ-O 3.44Å; F107-S150 WeakPolarHBondContact CE1-OG 3.36Å
108	T	98.3	Very high	98.4	Very high	76 Å²	76	47.1 Å²	47.1	47%	0.466	24%	0.243	S	C	.	.	S	Bend	trans	-97	-34.3	-178.2	64.6	0	0	0	0	112.6	D106 G114 G115	D106-T108 PolarHBondContact OD1-N 2.81Å; D106-T108 PolarHBondContact OD1-OG1 2.94Å; T108-G114 WeakPolarHBondContact OG1-CA 3.39Å; T108-G115 PolarHBondContact OG1-N 2.81Å
109	R	98.1	Very high	98.4	Very high	171 Å²	171	45.9 Å²	45.9	65%	0.645	24%	0.236	S	C	*	.	S	Bend	trans	-126	-26.8	-179.3	-64.3	-175.4	175	-173	-0.2	113.2	D106 D111 T113	D106-R109 PolarHBondContact OD1-N 3.1Å; R109-D111 WeakPolarHBondContact CB-OD1 3.34Å; R109-D111 PolarHBondContact O-N 3.07Å; R109-T113 WeakPolarHBondContact CD-OG1 3.42Å; R109-T113 PolarHBondContact NH1-OG1 2.7Å; R109-T113 VanDerWaalsContact NH1-OG1 3.11Å
110	G	98.1	Very high	98.4	Very high	12 Å²	12	41.8 Å²	41.8	12%	0.124	23%	0.226	C	C	.	.	S	Bend	trans	67	22.6	177.9	0	0	0	0	0	114.1	K92 H94 D106	K92-G110 WeakPolarHBondContact CE-O 3.36Å; H94-G110 VanDerWaalsContact CB-O 3.32Å; H94-G110 WeakPolarHBondContact CB-O 3.21Å; D106-G110 VanDerWaalsContact O-CA 3.24Å; D106-G110 WeakPolarHBondContact O-CA 3.41Å; D106-G110 PolarHBondContact O-N 3.38Å; D106-G110 PolarHBondContact OD1-N 3.12Å; D106-G110 PolarHBondContact OD2-N 3.07Å; D106-G110 VanDerWaalsContact OD2-N 3.15Å
111	D	97.9	Very high	98.3	Very high	95 Å²	95	45.3 Å²	45.3	51%	0.508	25%	0.247	S	C	.	.	S	Bend	trans	-130.4	0.5	-176.8	67.2	7.3	0	0	0	113.7	D106 R109 T113	D106-D111 PolarHBondContact OD2-N 2.86Å; D106-D111 VanDerWaalsContact OD2-N 3.08Å; R109-D111 WeakPolarHBondContact CB-OD1 3.34Å; R109-D111 PolarHBondContact O-N 3.07Å; D111-T113 WeakPolarHBondContact OD1-CB 3.4Å; D111-T113 WeakPolarHBondContact OD1-CG2 3.45Å; D111-T113 PolarHBondContact OD1-N 3.5Å; D111-T113 PolarHBondContact OD1-OG1 3.35Å
112	G	97.8	Very high	98.2	Very high	27 Å²	27	52.8 Å²	52.8	28%	0.278	28%	0.275	S	S	.	.	S	Bend	trans	93.8	-5	-179.4	0	0	0	0	0	113.7	H94 D106 Q151	H94-G112 VanDerWaalsContact NE2-CA 3.3Å; H94-G112 WeakPolarHBondContact NE2-CA 3.02Å; D106-G112 WeakPolarHBondContact OD2-CA 3.31Å; D106-G112 PolarHBondContact OD2-N 2.89Å; G112-Q151 VanDerWaalsContact C-NE2 3.29Å; G112-Q151 PolarHBondContact O-NE2 3.35Å
113	T	97.6	Very high	98.2	Very high	88 Å²	88	53.3 Å²	53.3	54%	0.54	28%	0.278	S	S	.	.	S	Bend	trans	-94.1	-7.3	177.9	72.4	0	0	0	0	113.5	D106 R109 D111	D106-T113 PolarHBondContact OD2-N 2.95Å; R109-T113 WeakPolarHBondContact CD-OG1 3.42Å; R109-T113 PolarHBondContact NH1-OG1 2.7Å; R109-T113 VanDerWaalsContact NH1-OG1 3.11Å; D111-T113 WeakPolarHBondContact OD1-CB 3.4Å; D111-T113 WeakPolarHBondContact OD1-CG2 3.45Å; D111-T113 PolarHBondContact OD1-N 3.5Å; D111-T113 PolarHBondContact OD1-OG1 3.35Å
114	G	97.6	Very high	98.2	Very high	15 Å²	15	56.2 Å²	56.2	16%	0.155	30%	0.299	C	S	.	.			trans	-113.3	-153.8	-177.6	0	0	0	0	0	114.5	D106 T108 Q151	D106-G114 VanDerWaalsContact OD1-C 3.25Å; D106-G114 VanDerWaalsContact OD1-CA 3.27Å; D106-G114 WeakPolarHBondContact OD1-CA 3.22Å; D106-G114 PolarHBondContact OD2-N 3.46Å; T108-G114 WeakPolarHBondContact OG1-CA 3.39Å; G114-Q151 PolarHBondContact O-NE2 3.46Å
115	G	97.9	Very high	98.2	Very high	18 Å²	18	57.2 Å²	57.2	19%	0.186	30%	0.304	C	S	.	.			trans	87	155.6	-171.5	0	0	0	0	0	113.7	D106 T108 S150	D106-G115 PolarHBondContact OD1-N 2.78Å; D106-G115 VanDerWaalsContact OD1-N 3.14Å; T108-G115 PolarHBondContact OG1-N 2.81Å; G115-S150 WeakPolarHBondContact CA-OG 3.26Å
116	K	98.6	Very high	98.2	Very high	75 Å²	75	59.5 Å²	59.5	33%	0.326	32%	0.315	S	S	.	.			trans	-155.2	151.4	173.4	62.2	177.8	-178.3	178.8	0	110.2	F86 F107 S150	F86-K116 HydrophobicContact CE2-CG 4.3Å; F107-K116 HydrophobicContact CE2-CG 4.18Å; F107-K116 HydrophobicContact CZ-CG 3.72Å; F107-K116 WeakPolarHBondContact CZ-O 3.44Å; K116-S150 PolarHBondContact N-OG 2.77Å; K116-S150 WeakPolarHBondContact O-CB 3.47Å
117	S	98.8	Very high	98.2	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.014	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-83.3	170.9	175.3	77.2	0	0	0	0	111.7	N75 Y119 G120 F123	N75-S117 WeakPolarHBondContact OD1-CA 3.39Å; N75-S117 VanDerWaalsContact OD1-CB 3.24Å; N75-S117 WeakPolarHBondContact OD1-CB 3.43Å; S117-Y119 PolarHBondContact O-N 3.2Å; S117-Y119 PolarHBondContact OG-N 3.07Å; S117-G120 WeakPolarHBondContact CA-O 3.14Å; S117-G120 WeakPolarHBondContact CB-O 3.26Å; S117-G120 PolarHBondContact N-O 2.97Å; S117-G120 PolarHBondContact O-N 3Å; S117-G120 PolarHBondContact OG-N 3.42Å; S117-G120 PolarHBondContact OG-O 3.19Å; S117-F123 VanDerWaalsContact CB-CD1 3.48Å
118	I	98.8	Very high	98.1	Very high	43 Å²	43	63 Å²	63	22%	0.221	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-10.1	168.4	68.3	171.6	0	0	0	113.3	N75 A78 L79 K84	N75-I118 HydrophobicContact CB-CD1 4.48Å; N75-I118 HydrophobicContact CB-CG1 4.18Å; N75-I118 PolarHBondContact OD1-N 3.48Å; A78-I118 HydrophobicContact CB-CD1 4.09Å; A78-I118 HydrophobicContact CB-CG2 3.76Å; L79-I118 HydrophobicContact CD2-CG2 4.41Å; L79-I118 HydrophobicContact CG-CG2 4.34Å; K84-I118 HydrophobicContact CG-CB 4.31Å; K84-I118 HydrophobicContact CG-CG2 3.83Å
119	Y	98.6	Very high	98.1	Very high	103 Å²	103	66.3 Å²	66.3	40%	0.404	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	1.9	-179.2	-48.3	-60.6	0	0	0	113.2	K71 N75 S117 F123	K71-Y119 HydrophobicContact CB-CE2 4.3Å; K71-Y119 WeakPolarHBondContact O-CE2 3.39Å; K71-Y119 PolarHBondContact O-OH 3.17Å; N75-Y119 HydrophobicContact CB-CE2 3.88Å; S117-Y119 PolarHBondContact O-N 3.2Å; S117-Y119 PolarHBondContact OG-N 3.07Å; Y119-F123 HydrophobicContact CD2-CB 4.09Å; Y119-F123 HydrophobicContact CD2-CD1 4.18Å; Y119-F123 HydrophobicContact CD2-CD2 4.49Å; Y119-F123 HydrophobicContact CD2-CG 4.01Å
120	G	97.9	Very high	98.2	Very high	35 Å²	35	58.6 Å²	58.6	36%	0.361	31%	0.311	S	S	.	.	B	Isolated β-bridge	trans	120.8	-168.3	-171.6	0	0	0	0	0	112	S117 R122	S117-G120 WeakPolarHBondContact CA-O 3.14Å; S117-G120 WeakPolarHBondContact CB-O 3.26Å; S117-G120 PolarHBondContact N-O 2.97Å; S117-G120 PolarHBondContact O-N 3Å; S117-G120 PolarHBondContact OG-N 3.42Å; S117-G120 PolarHBondContact OG-O 3.19Å; G120-R122 VanDerWaalsContact C-N 3.27Å; G120-R122 PolarHBondContact O-N 2.72Å
121	D	96.4	Very high	98.2	Very high	118 Å²	118	63.3 Å²	63.3	63%	0.631	33%	0.328	S	S	*	.	S	Bend	trans	-61.1	-36.3	-175.6	-67	-16.4	0	0	0	112.7
122	R	96.9	Very high	98.2	Very high	161 Å²	161	58.9 Å²	58.9	61%	0.608	30%	0.304	S	S	*	.			trans	-141.4	153.4	-179.6	-66.3	179.9	176.6	100.8	1.9	112.4	G120 N148	G120-R122 VanDerWaalsContact C-N 3.27Å; G120-R122 PolarHBondContact O-N 2.72Å; R122-N148 CarbonylContact C-O 3.5Å; R122-N148 WeakPolarHBondContact CA-O 3.33Å
123	F	98.7	Very high	98.2	Very high	12 Å²	12	59.5 Å²	59.5	5%	0.053	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-136.5	154.1	167.6	70.5	-82	0	0	0	112.5	T72 S117 Y119 M140 D146 N148 G149	T72-F123 HydrophobicContact CG2-CZ 4.34Å; S117-F123 VanDerWaalsContact CB-CD1 3.48Å; Y119-F123 HydrophobicContact CD2-CB 4.09Å; Y119-F123 HydrophobicContact CD2-CD1 4.18Å; Y119-F123 HydrophobicContact CD2-CD2 4.49Å; Y119-F123 HydrophobicContact CD2-CG 4.01Å; F123-M140 HydrophobicContact CE1-CE 4.16Å; F123-M140 HydrophobicContact CZ-CE 4.11Å; F123-D146 CarbonylContact O-C 3.44Å; F123-N148 HydrophobicContact CD1-CB 3.76Å; F123-N148 WeakPolarHBondContact CD1-O 3.29Å; F123-N148 HydrophobicContact CD2-CB 4.1Å; F123-N148 HydrophobicContact CE1-CB 3.43Å; F123-N148 VanDerWaalsContact CE1-CB 3.43Å; F123-N148 HydrophobicContact CE2-CB 3.79Å; F123-N148 HydrophobicContact CG-CB 4.1Å; F123-N148 HydrophobicContact CZ-CB 3.45Å; F123-N148 VanDerWaalsContact CZ-CB 3.45Å; F123-N148 PolarHBondContact N-O 2.83Å; F123-N148 WeakPolarHBondContact O-CB 3.32Å; F123-N148 PolarHBondContact O-N 2.72Å; F123-N148 PolarHBondContact O-ND2 3.41Å; F123-G149 WeakPolarHBondContact CE1-O 3.25Å
124	P	98.7	Very high	98.3	Very high	86 Å²	86	55.3 Å²	55.3	56%	0.558	27%	0.273	S	S	*	.			trans	-62.2	159.8	-177.3	-25.3	36.1	0	0	0	114.8	E126 D146 N148	P124-E126 PolarHBondContact O-N 3.4Å; P124-D146 WeakPolarHBondContact CA-OD1 3.48Å; P124-D146 HydrophobicContact CB-CB 4.27Å; P124-D146 WeakPolarHBondContact CB-OD1 3.33Å; P124-N148 PolarHBondContact O-ND2 3.08Å
125	D	98.8	Very high	98.3	Very high	21 Å²	21	57.7 Å²	57.7	11%	0.112	29%	0.286	C	S	.	.			trans	-66.1	112.8	171.1	-64.3	-48.4	0	0	0	109.8	F128 D146 N148 V167	D125-F128 HydrophobicContact CB-CE1 4.25Å; D125-F128 HydrophobicContact CB-CE2 4.09Å; D125-F128 HydrophobicContact CB-CZ 3.56Å; D125-D146 PolarHBondContact N-OD1 3.2Å; D125-D146 PolarHBondContact OD2-N 2.86Å; D125-N148 WeakPolarHBondContact CA-ND2 3.28Å; D125-N148 PolarHBondContact N-ND2 3.31Å; D125-N148 PolarHBondContact OD1-ND2 2.9Å; D125-V167 HydrophobicContact CB-CG2 3.93Å
126	E	98.7	Very high	98.4	Very high	48 Å²	48	56.9 Å²	56.9	22%	0.224	28%	0.277	C	S	.	.			trans	-68	-45.5	-171	-175.6	170.7	-165.5	0	0	113.1	V69 P70 K71 T72 P124	V69-E126 VanDerWaalsContact C-CD 3.48Å; V69-E126 VanDerWaalsContact CA-CD 3.47Å; V69-E126 WeakPolarHBondContact CA-OE2 3.49Å; V69-E126 VanDerWaalsContact CB-OE2 3.3Å; V69-E126 WeakPolarHBondContact CB-OE2 3.32Å; V69-E126 HydrophobicContact CG1-CB 4.35Å; V69-E126 HydrophobicContact CG1-CG 4.31Å; P70-E126 WeakPolarHBondContact CD-OE1 3.29Å; P70-E126 VanDerWaalsContact CG-OE1 3.3Å; P70-E126 WeakPolarHBondContact CG-OE1 3.4Å; P70-E126 VanDerWaalsContact N-OE1 3.14Å; K71-E126 PolarHBondContact N-OE1 2.87Å; K71-E126 PolarHBondContact N-OE2 2.79Å; T72-E126 WeakPolarHBondContact CB-OE2 3.21Å; T72-E126 PolarHBondContact N-OE2 2.85Å; T72-E126 PolarHBondContact OG1-OE2 2.82Å; P124-E126 PolarHBondContact O-N 3.4Å
127	N	98.6	Very high	98.4	Very high	34 Å²	34	53.3 Å²	53.3	18%	0.182	26%	0.262	C	S	.	.			trans	-174.4	169.8	165.3	59.4	85.4	0	0	0	110.7	T68 V69 K129	T68-N127 PolarHBondContact O-ND2 3.44Å; V69-N127 WeakPolarHBondContact CG1-ND2 3.33Å; N127-K129 HydrophobicContact CB-CG 4.35Å; N127-K129 WeakPolarHBondContact OD1-CB 3.45Å; N127-K129 VanDerWaalsContact OD1-CG 3.29Å; N127-K129 WeakPolarHBondContact OD1-CG 3.47Å; N127-K129 PolarHBondContact OD1-N 3.45Å
128	F	98.4	Very high	98.4	Very high	82 Å²	82	53.2 Å²	53.2	36%	0.36	26%	0.261	S	S	.	.			trans	-117.4	38.6	176.4	-54.7	-71	0	0	0	112.5	D125 L130 G164 V167	D125-F128 HydrophobicContact CB-CE1 4.25Å; D125-F128 HydrophobicContact CB-CE2 4.09Å; D125-F128 HydrophobicContact CB-CZ 3.56Å; F128-L130 PolarHBondContact O-N 2.98Å; F128-G164 WeakPolarHBondContact CE2-O 3.24Å; F128-G164 WeakPolarHBondContact CZ-O 3.45Å; F128-V167 HydrophobicContact CD1-CG2 4.5Å; F128-V167 HydrophobicContact CE1-CG2 4.03Å
129	K	98.2	Very high	98.4	Very high	147 Å²	147	51.2 Å²	51.2	64%	0.639	25%	0.251	S	S	*	.			trans	-67	-26.5	179.3	-70.6	173.7	-178.3	170.4	0	112.8	T68 N127	T68-K129 HydrophobicContact CG2-CB 4.19Å; T68-K129 HydrophobicContact CG2-CD 4.27Å; N127-K129 HydrophobicContact CB-CG 4.35Å; N127-K129 WeakPolarHBondContact OD1-CB 3.45Å; N127-K129 VanDerWaalsContact OD1-CG 3.29Å; N127-K129 WeakPolarHBondContact OD1-CG 3.47Å; N127-K129 PolarHBondContact OD1-N 3.45Å
130	L	98.4	Very high	98.4	Very high	9 Å²	9	46.3 Å²	46.3	5%	0.047	23%	0.232	C	C	.	.	S	Bend	trans	-105.4	154.8	179.1	-61.6	176.9	0	0	0	110.2	P40 F65 T68 F128 Y133 V168	P40-L130 HydrophobicContact CB-CD1 3.95Å; P40-L130 HydrophobicContact CB-CD2 3.95Å; P40-L130 HydrophobicContact CG-CD1 4.05Å; P40-L130 HydrophobicContact CG-CD2 3.85Å; F65-L130 HydrophobicContact CB-CD1 4.35Å; F65-L130 HydrophobicContact CD2-CD1 3.27Å; F65-L130 HydrophobicContact CE2-CD1 3.79Å; F65-L130 HydrophobicContact CG-CD1 4.08Å; T68-L130 HydrophobicContact CG2-CD1 3.9Å; T68-L130 HydrophobicContact CG2-CG 3.95Å; F128-L130 PolarHBondContact O-N 2.98Å; L130-Y133 HydrophobicContact CB-CE2 4.38Å; L130-Y133 HydrophobicContact CD2-CE2 4.29Å; L130-V168 HydrophobicContact CB-CB 3.8Å; L130-V168 HydrophobicContact CB-CG1 3.82Å; L130-V168 HydrophobicContact CD1-CG1 4.39Å
131	K	98.6	Very high	98.4	Very high	111 Å²	111	45.1 Å²	45.1	48%	0.483	22%	0.219	S	C	.	.			trans	-123.4	170.6	-178.4	-66.2	-177.8	168.2	-161.6	0	110	Y133 D163	K131-Y133 VanDerWaalsContact C-N 3.28Å; K131-Y133 HydrophobicContact CB-CD1 4.08Å; K131-Y133 HydrophobicContact CB-CD2 4.33Å; K131-Y133 HydrophobicContact CB-CE1 3.7Å; K131-Y133 HydrophobicContact CB-CE2 4.03Å; K131-Y133 HydrophobicContact CB-CG 4.38Å; K131-Y133 HydrophobicContact CD-CE1 4.29Å; K131-Y133 HydrophobicContact CG-CE1 4.3Å; K131-Y133 VanDerWaalsContact N-CE2 3.28Å; K131-Y133 PolarHBondContact N-OH 3.39Å; K131-Y133 WeakPolarHBondContact O-CD2 3.43Å; K131-Y133 VanDerWaalsContact O-CE2 3.23Å; K131-Y133 WeakPolarHBondContact O-CE2 3.39Å; K131-Y133 PolarHBondContact O-N 3.38Å; K131-D163 WeakPolarHBondContact CA-OD1 3.5Å; K131-D163 WeakPolarHBondContact CB-OD1 3.37Å; K131-D163 WeakPolarHBondContact CB-OD2 3.07Å; K131-D163 VanDerWaalsContact CD-OD2 3.28Å; K131-D163 WeakPolarHBondContact CD-OD2 3.29Å; K131-D163 HydrophobicContact CG-CB 4.29Å; K131-D163 WeakPolarHBondContact CG-OD2 3Å
132	H	98.7	Very high	98.5	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	20%	0.198	C	C	.	.			trans	-86.4	73	177.1	-53.8	79.5	0	0	0	109.3	G134 S139 F153 T155 Q158 T159 L162 D163 V168	H132-G134 VanDerWaalsContact C-N 3.28Å; H132-G134 PolarHBondContact O-N 2.91Å; H132-S139 WeakPolarHBondContact NE2-CB 3.32Å; H132-S139 PolarHBondContact NE2-OG 2.66Å; H132-F153 AromaticContact CD2-CE2 3.86Å; H132-F153 AromaticContact CD2-CZ 3.99Å; H132-F153 AromaticContact NE2-CE2 3.94Å; H132-F153 AromaticContact NE2-CZ 3.57Å; H132-T155 HydrophobicContact CB-CG2 4.5Å; H132-Q158 VanDerWaalsContact O-CG 3.27Å; H132-Q158 WeakPolarHBondContact O-CG 3.23Å; H132-T159 WeakPolarHBondContact CB-OG1 3.25Å; H132-T159 PolarHBondContact O-N 2.96Å; H132-L162 PolarHBondContact CE1-O 3.21Å; H132-D163 IonicContact CE1-OD1 3.36Å; H132-D163 IonicContact CG-OD1 3.8Å; H132-D163 PolarHBondContact N-OD1 3.09Å; H132-D163 IonicContact ND1-OD1 2.96Å; H132-D163 PolarHBondContact ND1-OD1 3.22Å; H132-V168 VanDerWaalsContact CE1-CG2 3.47Å; H132-V168 WeakPolarHBondContact CE1-CG2 3.31Å; H132-V168 WeakPolarHBondContact NE2-CG2 3.44Å
133	Y	98.4	Very high	98.4	Very high	40 Å²	40	38 Å²	38	16%	0.157	21%	0.205	C	C	.	.			trans	-67	-24	-165.1	-58.4	-82.5	0	0	0	114.4	L130 K131 W137 Q158 K215 E216	L130-Y133 HydrophobicContact CB-CE2 4.38Å; L130-Y133 HydrophobicContact CD2-CE2 4.29Å; K131-Y133 VanDerWaalsContact C-N 3.28Å; K131-Y133 HydrophobicContact CB-CD1 4.08Å; K131-Y133 HydrophobicContact CB-CD2 4.33Å; K131-Y133 HydrophobicContact CB-CE1 3.7Å; K131-Y133 HydrophobicContact CB-CE2 4.03Å; K131-Y133 HydrophobicContact CB-CG 4.38Å; K131-Y133 HydrophobicContact CD-CE1 4.29Å; K131-Y133 HydrophobicContact CG-CE1 4.3Å; K131-Y133 VanDerWaalsContact N-CE2 3.28Å; K131-Y133 PolarHBondContact N-OH 3.39Å; K131-Y133 WeakPolarHBondContact O-CD2 3.43Å; K131-Y133 VanDerWaalsContact O-CE2 3.23Å; K131-Y133 WeakPolarHBondContact O-CE2 3.39Å; K131-Y133 PolarHBondContact O-N 3.38Å; Y133-W137 AromaticContact CD2-CD2 3.93Å; Y133-W137 HydrophobicContact CD2-CD2 3.93Å; Y133-W137 AromaticContact CD2-CE2 3.56Å; Y133-W137 AromaticContact CD2-CE3 3.94Å; Y133-W137 HydrophobicContact CD2-CE3 3.94Å; Y133-W137 AromaticContact CD2-CH2 3.22Å; Y133-W137 HydrophobicContact CD2-CH2 3.22Å; Y133-W137 AromaticContact CD2-CZ2 3.23Å; Y133-W137 HydrophobicContact CD2-CZ2 3.23Å; Y133-W137 AromaticContact CD2-CZ3 3.58Å; Y133-W137 HydrophobicContact CD2-CZ3 3.58Å; Y133-W137 HydrophobicContact CE2-CE3 4.46Å; Y133-W137 AromaticContact CE2-CH2 3.56Å; Y133-W137 HydrophobicContact CE2-CH2 3.56Å; Y133-W137 HydrophobicContact CE2-CZ2 4.05Å; Y133-W137 AromaticContact CE2-CZ3 3.79Å; Y133-W137 HydrophobicContact CE2-CZ3 3.79Å; Y133-W137 HydrophobicContact CG-CH2 4.29Å; Y133-W137 AromaticContact CG-CZ2 3.91Å; Y133-W137 HydrophobicContact CG-CZ2 3.91Å; Y133-Q158 VanDerWaalsContact O-CG 3.29Å; Y133-Q158 WeakPolarHBondContact O-CG 3.24Å; Y133-Q158 PolarHBondContact O-NE2 3.15Å; Y133-K215 HydrophobicContact CD1-CB 3.89Å; Y133-K215 HydrophobicContact CD2-CB 4.22Å; Y133-K215 HydrophobicContact CD2-CG 4.42Å; Y133-K215 HydrophobicContact CE1-CB 3.87Å; Y133-K215 HydrophobicContact CE1-CD 4.11Å; Y133-K215 HydrophobicContact CE1-CG 4.19Å; Y133-K215 HydrophobicContact CE2-CB 4.16Å; Y133-K215 HydrophobicContact CE2-CD 4.37Å; Y133-K215 HydrophobicContact CE2-CG 3.94Å; Y133-K215 HydrophobicContact CG-CB 4.07Å; Y133-E216 VanDerWaalsContact C-OXT 3.3Å
134	G	98.4	Very high	98.2	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.01	22%	0.22	C	C	.	.	S	Bend	trans	179.8	-159.8	179.6	0	0	0	0	0	113	H132 T155 V157 E216	H132-G134 VanDerWaalsContact C-N 3.28Å; H132-G134 PolarHBondContact O-N 2.91Å; G134-T155 PolarHBondContact O-OG1 2.88Å; G134-V157 CarbonylContact C-O 3.49Å; G134-E216 WeakPolarHBondContact CA-OXT 3.48Å; G134-E216 PolarHBondContact N-OXT 2.89Å
135	P	98.7	Very high	98.1	Very high	65 Å²	65	43 Å²	43	42%	0.422	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	147.1	173.6	-20	31.9	0	0	0	113	W137 T156 M176	P135-W137 VanDerWaalsContact C-N 3.33Å; P135-W137 PolarHBondContact O-N 2.88Å; P135-T156 WeakPolarHBondContact CB-O 3.43Å; P135-T156 WeakPolarHBondContact CG-O 3.49Å; P135-M176 HydrophobicContact CB-CE 4.07Å
136	G	98.7	Very high	98.1	Very high	1 Å²	1	45 Å²	45	1%	0.01	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	2.9	174.4	0	0	0	0	0	115	T155 K171 V172 M176	G136-T155 PolarHBondContact N-O 3.47Å; G136-T155 PolarHBondContact N-OG1 2.99Å; G136-K171 CarbonylContact O-C 3.57Å; G136-K171 VanDerWaalsContact O-CA 3.32Å; G136-K171 WeakPolarHBondContact O-CA 3.34Å; G136-V172 WeakPolarHBondContact O-CG2 3.01Å; G136-V172 PolarHBondContact O-N 3.38Å; G136-M176 WeakPolarHBondContact CA-SD 3.44Å
137	W	98.9	Very high	98.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	132.3	175.7	-74.4	75.9	0	0	0	110.4	P40 F65 Y133 P135 I154 T155 V168 K171 A214 E216	P40-W137 HydrophobicContact CG-CH2 4.08Å; P40-W137 HydrophobicContact CG-CZ3 4.23Å; F65-W137 HydrophobicContact CE2-CE3 4.02Å; F65-W137 HydrophobicContact CE2-CH2 4.43Å; F65-W137 AromaticContact CE2-CZ3 3.55Å; F65-W137 HydrophobicContact CE2-CZ3 3.55Å; F65-W137 HydrophobicContact CZ-CE3 4.41Å; F65-W137 HydrophobicContact CZ-CH2 4.36Å; F65-W137 AromaticContact CZ-CZ3 3.87Å; F65-W137 HydrophobicContact CZ-CZ3 3.87Å; Y133-W137 AromaticContact CD2-CD2 3.93Å; Y133-W137 HydrophobicContact CD2-CD2 3.93Å; Y133-W137 AromaticContact CD2-CE2 3.56Å; Y133-W137 AromaticContact CD2-CE3 3.94Å; Y133-W137 HydrophobicContact CD2-CE3 3.94Å; Y133-W137 AromaticContact CD2-CH2 3.22Å; Y133-W137 HydrophobicContact CD2-CH2 3.22Å; Y133-W137 AromaticContact CD2-CZ2 3.23Å; Y133-W137 HydrophobicContact CD2-CZ2 3.23Å; Y133-W137 AromaticContact CD2-CZ3 3.58Å; Y133-W137 HydrophobicContact CD2-CZ3 3.58Å; Y133-W137 HydrophobicContact CE2-CE3 4.46Å; Y133-W137 AromaticContact CE2-CH2 3.56Å; Y133-W137 HydrophobicContact CE2-CH2 3.56Å; Y133-W137 HydrophobicContact CE2-CZ2 4.05Å; Y133-W137 AromaticContact CE2-CZ3 3.79Å; Y133-W137 HydrophobicContact CE2-CZ3 3.79Å; Y133-W137 HydrophobicContact CG-CH2 4.29Å; Y133-W137 AromaticContact CG-CZ2 3.91Å; Y133-W137 HydrophobicContact CG-CZ2 3.91Å; P135-W137 VanDerWaalsContact C-N 3.33Å; P135-W137 PolarHBondContact O-N 2.88Å; W137-I154 WeakPolarHBondContact O-CA 3.31Å; W137-T155 PolarHBondContact N-OG1 3.49Å; W137-T155 VanDerWaalsContact N-OG1 3.07Å; W137-T155 PolarHBondContact O-N 2.96Å; W137-T155 PolarHBondContact O-OG1 2.82Å; W137-V168 HydrophobicContact CD2-CG1 4.47Å; W137-V168 HydrophobicContact CE3-CG1 3.42Å; W137-V168 VanDerWaalsContact CE3-CG1 3.42Å; W137-V168 HydrophobicContact CZ3-CG1 3.95Å; W137-K171 HydrophobicContact CD2-CB 4.49Å; W137-K171 HydrophobicContact CD2-CD 4.39Å; W137-K171 HydrophobicContact CZ2-CD 3.96Å; W137-A214 WeakPolarHBondContact CZ2-O 3.45Å; W137-E216 PolarHBondContact NE1-O 3.19Å
138	L	98.9	Very high	98.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	129.7	-179.7	179.8	72.2	0	0	0	109.7	I62 F76 F152 I154 F169 G170	I62-L138 HydrophobicContact CD1-CD2 4.39Å; I62-L138 HydrophobicContact CG2-CB 4.19Å; I62-L138 HydrophobicContact CG2-CD2 3.65Å; I62-L138 HydrophobicContact CG2-CG 4.48Å; F76-L138 HydrophobicContact CD1-CD2 4.32Å; F76-L138 HydrophobicContact CE1-CD2 3.78Å; F76-L138 HydrophobicContact CE2-CD1 4.47Å; F76-L138 HydrophobicContact CE2-CD2 4.03Å; F76-L138 HydrophobicContact CZ-CD1 4.42Å; F76-L138 HydrophobicContact CZ-CD2 3.62Å; L138-F152 HydrophobicContact CD1-CB 4.1Å; L138-F152 HydrophobicContact CD1-CD2 3.41Å; L138-F152 VanDerWaalsContact CD1-CD2 3.41Å; L138-F152 HydrophobicContact CD1-CE2 4.14Å; L138-F152 HydrophobicContact CD1-CG 4.02Å; L138-I154 HydrophobicContact CD1-CG1 3.72Å; L138-F169 HydrophobicContact CD1-CZ 4.12Å; L138-F169 HydrophobicContact CD2-CD2 3.86Å; L138-F169 HydrophobicContact CD2-CE1 4.21Å; L138-F169 HydrophobicContact CD2-CE2 3.15Å; L138-F169 HydrophobicContact CD2-CZ 3.37Å; L138-F169 HydrophobicContact CG-CD1 4.47Å; L138-F169 HydrophobicContact CG-CD2 4.37Å; L138-F169 HydrophobicContact CG-CE1 3.86Å; L138-F169 HydrophobicContact CG-CE2 3.74Å; L138-F169 HydrophobicContact CG-CZ 3.46Å; L138-F169 VanDerWaalsContact CG-CZ 3.46Å; L138-F169 PolarHBondContact O-N 3.44Å; L138-G170 PolarHBondContact N-O 3.03Å; L138-G170 PolarHBondContact O-N 3.49Å
139	S	98.9	Very high	98.1	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	154.3	-174.1	-168.4	0	0	0	0	112.2	H132 F152 F153 H166 V167 F169	H132-S139 WeakPolarHBondContact NE2-CB 3.32Å; H132-S139 PolarHBondContact NE2-OG 2.66Å; S139-F152 CarbonylContact O-C 3.41Å; S139-F152 VanDerWaalsContact O-CA 3.31Å; S139-F152 WeakPolarHBondContact O-CA 3.3Å; S139-F153 PolarHBondContact N-O 3.2Å; S139-F153 PolarHBondContact O-N 3.14Å; S139-F153 WeakPolarHBondContact OG-CZ 3.4Å; S139-H166 WeakPolarHBondContact OG-CB 3.27Å; S139-V167 WeakPolarHBondContact CA-O 3.37Å; S139-V167 PolarHBondContact OG-O 3.4Å; S139-F169 VanDerWaalsContact C-CE1 3.46Å
140	M	98.9	Very high	98.1	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	130.9	-179.1	-70.1	-57.1	-62.7	0	0	111	T72 F123 N148 G149 Q151 F153 H166 V167 F169	T72-M140 HydrophobicContact CG2-CG 3.63Å; T72-M140 HydrophobicContact CG2-SD 3.88Å; F123-M140 HydrophobicContact CE1-CE 4.16Å; F123-M140 HydrophobicContact CZ-CE 4.11Å; M140-N148 VanDerWaalsContact CB-OD1 3.24Å; M140-N148 WeakPolarHBondContact CB-OD1 3.44Å; M140-N148 HydrophobicContact CE-CB 4.01Å; M140-G149 WeakPolarHBondContact CE-O 3.3Å; M140-Q151 WeakPolarHBondContact CE-O 3.22Å; M140-F153 WeakPolarHBondContact O-CE1 3.45Å; M140-H166 WeakPolarHBondContact O-CB 3.49Å; M140-H166 PolarHBondContact O-ND1 3.31Å; M140-V167 HydrophobicContact CB-CB 4.42Å; M140-V167 HydrophobicContact CG-CB 4.27Å; M140-V167 PolarHBondContact N-O 3.45Å; M140-F169 HydrophobicContact CG-CD1 3.84Å; M140-F169 HydrophobicContact CG-CE1 3.71Å; M140-F169 HydrophobicContact SD-CD1 4.03Å; M140-F169 HydrophobicContact SD-CE1 3.4Å; M140-F169 WeakPolarHBondContact SD-CE1 3.45Å; M140-F169 HydrophobicContact SD-CZ 3.87Å
141	A	98.6	Very high	98.2	Very high	11 Å²	11	32.8 Å²	32.8	9%	0.091	19%	0.188	C	C	.	.			trans	-77.5	143.6	162.9	0	0	0	0	0	109.2	Q151 F153	A141-Q151 HydrophobicContact CB-CB 3.77Å; A141-Q151 PolarHBondContact N-O 3.45Å; A141-F153 HydrophobicContact CB-CD1 4.32Å
142	N	97.1	Very high	98.2	Very high	38 Å²	38	27.5 Å²	27.5	20%	0.203	17%	0.165	C	C	.	.			trans	-148.4	166.1	177.6	69	36.3	0	0	0	110.4	G144 T147 K165 H166	N142-G144 PolarHBondContact OD1-N 2.89Å; N142-T147 WeakPolarHBondContact CB-OG1 3.41Å; N142-K165 PolarHBondContact ND2-O 3.34Å; N142-H166 PolarHBondContact OD1-CE1 3.08Å; N142-H166 VanDerWaalsContact OD1-CE1 3.3Å
143	A	95.2	Very high	98.2	Very high	91 Å²	91	27.8 Å²	27.8	75%	0.752	17%	0.167	S	C	*	.	S	Bend	trans	-110.6	36.6	176.1	0	0	0	0	0	111	T147	A143-T147 PolarHBondContact N-OG1 2.75Å
144	G	95.1	Very high	98.2	Very high	36 Å²	36	26 Å²	26	37%	0.371	16%	0.16	S	C	.	.	S	Bend	trans	116.2	178.2	-171.9	0	0	0	0	0	112.8	N142 D146 T147	N142-G144 PolarHBondContact OD1-N 2.89Å; G144-D146 PolarHBondContact O-N 3.43Å; G144-T147 PolarHBondContact N-OG1 2.66Å; G144-T147 PolarHBondContact O-N 3.09Å; G144-T147 PolarHBondContact O-OG1 3.37Å
145	K	97.3	Very high	98.2	Very high	167 Å²	167	25.9 Å²	25.9	73%	0.726	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	135.8	-175.6	-168.4	-170.2	173.4	-169.6	0	111.6	T147	K145-T147 VanDerWaalsContact C-N 3.29Å; K145-T147 WeakPolarHBondContact O-CG2 3.3Å; K145-T147 PolarHBondContact O-N 3.38Å
146	D	97.7	Very high	98.2	Very high	62 Å²	62	23.4 Å²	23.4	33%	0.332	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	31.8	173.6	-58.4	-44.2	0	0	0	114.6	F123 P124 D125 G144	F123-D146 CarbonylContact O-C 3.44Å; P124-D146 WeakPolarHBondContact CA-OD1 3.48Å; P124-D146 HydrophobicContact CB-CB 4.27Å; P124-D146 WeakPolarHBondContact CB-OD1 3.33Å; D125-D146 PolarHBondContact N-OD1 3.2Å; D125-D146 PolarHBondContact OD2-N 2.86Å; G144-D146 PolarHBondContact O-N 3.43Å
147	T	98.4	Very high	98.2	Very high	31 Å²	31	24.9 Å²	24.9	19%	0.19	15%	0.151	C	C	.	.			trans	-117.4	28.6	-179.1	66.7	0	0	0	0	114.7	N142 A143 G144 K145 G149	N142-T147 WeakPolarHBondContact CB-OG1 3.41Å; A143-T147 PolarHBondContact N-OG1 2.75Å; G144-T147 PolarHBondContact N-OG1 2.66Å; G144-T147 PolarHBondContact O-N 3.09Å; G144-T147 PolarHBondContact O-OG1 3.37Å; K145-T147 VanDerWaalsContact C-N 3.29Å; K145-T147 WeakPolarHBondContact O-CG2 3.3Å; K145-T147 PolarHBondContact O-N 3.38Å; T147-G149 PolarHBondContact O-N 3.37Å
148	N	98.8	Very high	98.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-65.4	134.3	177.8	-57.6	-68.9	0	0	0	110.6	R122 F123 P124 D125 M140	R122-N148 CarbonylContact C-O 3.5Å; R122-N148 WeakPolarHBondContact CA-O 3.33Å; F123-N148 HydrophobicContact CD1-CB 3.76Å; F123-N148 WeakPolarHBondContact CD1-O 3.29Å; F123-N148 HydrophobicContact CD2-CB 4.1Å; F123-N148 HydrophobicContact CE1-CB 3.43Å; F123-N148 VanDerWaalsContact CE1-CB 3.43Å; F123-N148 HydrophobicContact CE2-CB 3.79Å; F123-N148 HydrophobicContact CG-CB 4.1Å; F123-N148 HydrophobicContact CZ-CB 3.45Å; F123-N148 VanDerWaalsContact CZ-CB 3.45Å; F123-N148 PolarHBondContact N-O 2.83Å; F123-N148 WeakPolarHBondContact O-CB 3.32Å; F123-N148 PolarHBondContact O-N 2.72Å; F123-N148 PolarHBondContact O-ND2 3.41Å; P124-N148 PolarHBondContact O-ND2 3.08Å; D125-N148 WeakPolarHBondContact CA-ND2 3.28Å; D125-N148 PolarHBondContact N-ND2 3.31Å; D125-N148 PolarHBondContact OD1-ND2 2.9Å; M140-N148 VanDerWaalsContact CB-OD1 3.24Å; M140-N148 WeakPolarHBondContact CB-OD1 3.44Å; M140-N148 HydrophobicContact CE-CB 4.01Å
149	G	98.7	Very high	98.2	Very high	9 Å²	9	30.3 Å²	30.3	9%	0.093	18%	0.177	C	C	.	.			trans	-126.9	-116.8	177.7	0	0	0	0	0	110.9	N75 F123 M140 T147	N75-G149 PolarHBondContact ND2-O 3.05Å; N75-G149 VanDerWaalsContact ND2-O 3.1Å; F123-G149 WeakPolarHBondContact CE1-O 3.25Å; M140-G149 WeakPolarHBondContact CE-O 3.3Å; T147-G149 PolarHBondContact O-N 3.37Å
150	S	98.8	Very high	98.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	-109.3	-16	172.2	57.2	0	0	0	0	114.3	Y88 G105 F107 G115 K116	Y88-S150 VanDerWaalsContact CE1-O 3.28Å; Y88-S150 WeakPolarHBondContact CE1-O 3.25Å; Y88-S150 PolarHBondContact OH-O 2.65Å; G105-S150 CarbonylContact O-C 3.52Å; G105-S150 VanDerWaalsContact O-CB 3.3Å; G105-S150 WeakPolarHBondContact O-CB 3.46Å; G105-S150 PolarHBondContact O-OG 3.01Å; F107-S150 WeakPolarHBondContact CE1-OG 3.36Å; G115-S150 WeakPolarHBondContact CA-OG 3.26Å; K116-S150 PolarHBondContact N-OG 2.77Å; K116-S150 WeakPolarHBondContact O-CB 3.47Å
151	Q	98.9	Very high	98.1	Very high	24 Å²	24	40 Å²	40	11%	0.112	22%	0.222	C	C	.	.			trans	-70.5	139.6	-176.8	-65.1	-173.6	45.8	0	0	111.1	H94 G104 D106 G112 G114 M140 A141	H94-Q151 PolarHBondContact CE1-OE1 2.94Å; H94-Q151 PolarHBondContact NE2-OE1 2.79Å; G104-Q151 VanDerWaalsContact O-CA 3.25Å; G104-Q151 WeakPolarHBondContact O-CA 3.3Å; D106-Q151 HydrophobicContact CB-CG 3.94Å; G112-Q151 VanDerWaalsContact C-NE2 3.29Å; G112-Q151 PolarHBondContact O-NE2 3.35Å; G114-Q151 PolarHBondContact O-NE2 3.46Å; M140-Q151 WeakPolarHBondContact CE-O 3.22Å; A141-Q151 HydrophobicContact CB-CB 3.77Å; A141-Q151 PolarHBondContact N-O 3.45Å
152	F	98.9	Very high	98.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	163.6	-179	66.3	-92.3	0	0	0	109.7	F48 F76 Y88 F93 Q103 G104 L138 S139 I154 F169 I199	F48-F152 HydrophobicContact CD2-CZ 4.44Å; F48-F152 HydrophobicContact CE2-CE1 4.26Å; F48-F152 AromaticContact CE2-CE2 3.93Å; F48-F152 HydrophobicContact CE2-CE2 3.93Å; F48-F152 AromaticContact CE2-CZ 3.48Å; F48-F152 HydrophobicContact CE2-CZ 3.48Å; F48-F152 VanDerWaalsContact CE2-CZ 3.48Å; F48-F152 HydrophobicContact CZ-CE1 4.24Å; F48-F152 AromaticContact CZ-CZ 3.91Å; F48-F152 HydrophobicContact CZ-CZ 3.91Å; F76-F152 HydrophobicContact CD2-CD1 4.37Å; F76-F152 HydrophobicContact CE2-CB 4.42Å; F76-F152 AromaticContact CE2-CD1 3.67Å; F76-F152 HydrophobicContact CE2-CD1 3.67Å; F76-F152 HydrophobicContact CE2-CD2 4.37Å; F76-F152 AromaticContact CE2-CE1 3.93Å; F76-F152 HydrophobicContact CE2-CE1 3.93Å; F76-F152 AromaticContact CE2-CG 3.9Å; F76-F152 HydrophobicContact CE2-CG 3.9Å; F76-F152 HydrophobicContact CE2-CZ 4.39Å; Y88-F152 HydrophobicContact CD1-CE1 4.14Å; Y88-F152 HydrophobicContact CE1-CD1 4.02Å; Y88-F152 AromaticContact CE1-CE1 3.87Å; Y88-F152 HydrophobicContact CE1-CE1 3.87Å; Y88-F152 HydrophobicContact CE2-CE1 4.38Å; Y88-F152 AromaticContact CZ-CD1 3.93Å; Y88-F152 AromaticContact CZ-CE1 3.99Å; F93-F152 AromaticContact CE1-CE2 3.89Å; F93-F152 HydrophobicContact CE1-CE2 3.89Å; F93-F152 HydrophobicContact CE1-CZ 4.24Å; F93-F152 HydrophobicContact CZ-CE2 4.16Å; F93-F152 HydrophobicContact CZ-CZ 4.21Å; Q103-F152 WeakPolarHBondContact CA-O 2.94Å; G104-F152 PolarHBondContact N-O 3.41Å; G104-F152 PolarHBondContact O-N 2.94Å; L138-F152 HydrophobicContact CD1-CB 4.1Å; L138-F152 HydrophobicContact CD1-CD2 3.41Å; L138-F152 VanDerWaalsContact CD1-CD2 3.41Å; L138-F152 HydrophobicContact CD1-CE2 4.14Å; L138-F152 HydrophobicContact CD1-CG 4.02Å; S139-F152 CarbonylContact O-C 3.41Å; S139-F152 VanDerWaalsContact O-CA 3.31Å; S139-F152 WeakPolarHBondContact O-CA 3.3Å; F152-I154 HydrophobicContact CD2-CG1 4.49Å; F152-I154 HydrophobicContact CE2-CD1 4.47Å; F152-I154 HydrophobicContact CE2-CG1 4.43Å; F152-F169 HydrophobicContact CB-CE1 4.5Å; F152-F169 HydrophobicContact CB-CZ 4.27Å; F152-I199 HydrophobicContact CZ-CD1 4.13Å
153	F	98.9	Very high	98.2	Very high	8 Å²	8	40.5 Å²	40.5	4%	0.035	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	151.7	168.3	63.5	-89.6	0	0	0	111.7	M101 I102 Q103 H132 S139 M140 A141 T155 L162 H166	M101-F153 HydrophobicContact CB-CB 4.3Å; M101-F153 HydrophobicContact CB-CD2 4.02Å; M101-F153 HydrophobicContact CG-CB 4.39Å; M101-F153 HydrophobicContact CG-CD2 4.4Å; M101-F153 HydrophobicContact SD-CB 3.89Å; I102-F153 CarbonylContact O-C 3.43Å; I102-F153 WeakPolarHBondContact O-CA 3.4Å; I102-F153 WeakPolarHBondContact O-CB 3.32Å; Q103-F153 HydrophobicContact CB-CB 4.06Å; H132-F153 AromaticContact CD2-CE2 3.86Å; H132-F153 AromaticContact CD2-CZ 3.99Å; H132-F153 AromaticContact NE2-CE2 3.94Å; H132-F153 AromaticContact NE2-CZ 3.57Å; S139-F153 PolarHBondContact N-O 3.2Å; S139-F153 PolarHBondContact O-N 3.14Å; S139-F153 WeakPolarHBondContact OG-CZ 3.4Å; M140-F153 WeakPolarHBondContact O-CE1 3.45Å; A141-F153 HydrophobicContact CB-CD1 4.32Å; F153-T155 HydrophobicContact CD2-CG2 4.06Å; F153-T155 HydrophobicContact CE2-CG2 3.81Å; F153-L162 HydrophobicContact CE2-CD1 3.79Å; F153-L162 HydrophobicContact CZ-CD1 3.61Å; F153-H166 HydrophobicContact CE1-CB 4.11Å; F153-H166 AromaticContact CE1-CG 3.97Å; F153-H166 AromaticContact CE1-ND1 3.85Å; F153-H166 HydrophobicContact CZ-CB 4.06Å
154	I	98.9	Very high	98.3	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	123.6	170.7	-58.9	171.8	0	0	0	106.9	I62 M101 I102 W137 L138 F152 V172 V179	I62-I154 HydrophobicContact CD1-CD1 4.23Å; M101-I154 VanDerWaalsContact CA-O 3.26Å; M101-I154 WeakPolarHBondContact CA-O 3.42Å; M101-I154 WeakPolarHBondContact CB-O 3.45Å; I102-I154 HydrophobicContact CD1-CB 4.37Å; I102-I154 HydrophobicContact CD1-CD1 4.4Å; I102-I154 HydrophobicContact CG1-CB 3.87Å; I102-I154 PolarHBondContact N-O 3.28Å; I102-I154 PolarHBondContact O-N 2.87Å; W137-I154 WeakPolarHBondContact O-CA 3.31Å; L138-I154 HydrophobicContact CD1-CG1 3.72Å; F152-I154 HydrophobicContact CD2-CG1 4.49Å; F152-I154 HydrophobicContact CE2-CD1 4.47Å; F152-I154 HydrophobicContact CE2-CG1 4.43Å; I154-V172 HydrophobicContact CD1-CG2 4.19Å; I154-V172 HydrophobicContact CG2-CG2 3.76Å; I154-V179 HydrophobicContact CD1-CG2 4.39Å; I154-V179 HydrophobicContact CG2-CG1 4Å; I154-V179 HydrophobicContact CG2-CG2 4.38Å
155	T	98.9	Very high	98.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	146.3	178.3	58.7	0	0	0	0	111.1	H132 G134 G136 W137 F153 V157 T159	H132-T155 HydrophobicContact CB-CG2 4.5Å; G134-T155 PolarHBondContact O-OG1 2.88Å; G136-T155 PolarHBondContact N-O 3.47Å; G136-T155 PolarHBondContact N-OG1 2.99Å; W137-T155 PolarHBondContact N-OG1 3.49Å; W137-T155 VanDerWaalsContact N-OG1 3.07Å; W137-T155 PolarHBondContact O-N 2.96Å; W137-T155 PolarHBondContact O-OG1 2.82Å; F153-T155 HydrophobicContact CD2-CG2 4.06Å; F153-T155 HydrophobicContact CE2-CG2 3.81Å; T155-V157 WeakPolarHBondContact CB-O 3.38Å; T155-T159 HydrophobicContact CG2-CG2 4.06Å
156	T	98.8	Very high	98.6	Very high	13 Å²	13	36.1 Å²	36.1	8%	0.08	19%	0.189	C	C	.	.	S	Bend	trans	-109.9	-9.1	171.2	62.6	0	0	0	0	113	F100 P135 V179 E183	F100-T156 PolarHBondContact N-OG1 3.18Å; F100-T156 PolarHBondContact O-N 3.22Å; F100-T156 PolarHBondContact O-OG1 3.33Å; P135-T156 WeakPolarHBondContact CB-O 3.43Å; P135-T156 WeakPolarHBondContact CG-O 3.49Å; T156-V179 HydrophobicContact CG2-CG1 4.1Å; T156-E183 VanDerWaalsContact CB-CD 3.41Å; T156-E183 VanDerWaalsContact CB-OE1 3.23Å; T156-E183 WeakPolarHBondContact CB-OE1 3.49Å; T156-E183 HydrophobicContact CG2-CB 4.05Å; T156-E183 HydrophobicContact CG2-CG 3.91Å; T156-E183 VanDerWaalsContact OG1-CD 3.27Å; T156-E183 PolarHBondContact OG1-OE1 2.94Å
157	V	98.7	Very high	98.6	Very high	31 Å²	31	33.1 Å²	33.1	19%	0.188	17%	0.174	C	C	.	.	S	Bend	trans	-138.9	176.9	173.2	-61.2	0	0	0	0	109.4	Q99 G134 T155 T159	Q99-V157 HydrophobicContact CB-CG1 4.32Å; Q99-V157 VanDerWaalsContact O-CG2 3.24Å; Q99-V157 WeakPolarHBondContact O-CG2 3.46Å; G134-V157 CarbonylContact C-O 3.49Å; T155-V157 WeakPolarHBondContact CB-O 3.38Å; V157-T159 HydrophobicContact CG2-CG2 4.04Å
158	Q	98.4	Very high	98.6	Very high	114 Å²	114	31.9 Å²	31.9	53%	0.533	17%	0.166	S	C	.	.			trans	-70	131.7	168.2	-164.8	-179.9	45	0	0	110.5	H132 Y133 P160	H132-Q158 VanDerWaalsContact O-CG 3.27Å; H132-Q158 WeakPolarHBondContact O-CG 3.23Å; Y133-Q158 VanDerWaalsContact O-CG 3.29Å; Y133-Q158 WeakPolarHBondContact O-CG 3.24Å; Y133-Q158 PolarHBondContact O-NE2 3.15Å; Q158-P160 WeakPolarHBondContact O-CD 3.43Å
159	T	98.3	Very high	98.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.166	C	C	.	.			trans	-127.9	62.7	-175.5	64.8	0	0	0	0	112.6	F100 H132 T155 V157 W161 L162	F100-T159 HydrophobicContact CD2-CG2 3.65Å; F100-T159 HydrophobicContact CE2-CG2 3.8Å; H132-T159 WeakPolarHBondContact CB-OG1 3.25Å; H132-T159 PolarHBondContact O-N 2.96Å; T155-T159 HydrophobicContact CG2-CG2 4.06Å; V157-T159 HydrophobicContact CG2-CG2 4.04Å; T159-W161 HydrophobicContact CG2-CH2 3.96Å; T159-W161 HydrophobicContact CG2-CZ2 3.71Å; T159-W161 PolarHBondContact O-N 3.26Å; T159-W161 VanDerWaalsContact O-N 3.15Å; T159-L162 PolarHBondContact O-N 2.92Å; T159-L162 VanDerWaalsContact O-N 3.16Å
160	P	98.3	Very high	98.7	Very high	66 Å²	66	31.4 Å²	31.4	43%	0.429	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-66.6	-20.2	-170.6	28.6	-35.7	0	0	0	113.8	Q158 L162 D163	Q158-P160 WeakPolarHBondContact O-CD 3.43Å; P160-L162 PolarHBondContact O-N 3.46Å; P160-D163 VanDerWaalsContact O-CB 3.29Å; P160-D163 WeakPolarHBondContact O-CB 3.36Å; P160-D163 PolarHBondContact O-N 2.73Å; P160-D163 VanDerWaalsContact O-N 3.08Å
161	W	98.5	Very high	98.7	Very high	138 Å²	138	32.8 Å²	32.8	52%	0.523	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-67.6	-12.3	176.9	57.7	88.1	0	0	0	114	F100 T159 K165	F100-W161 AromaticContact CD2-CZ2 3.77Å; F100-W161 HydrophobicContact CD2-CZ2 3.77Å; F100-W161 AromaticContact CE2-CZ2 3.73Å; F100-W161 HydrophobicContact CE2-CZ2 3.73Å; F100-W161 AromaticContact CE2-NE1 3.76Å; T159-W161 HydrophobicContact CG2-CH2 3.96Å; T159-W161 HydrophobicContact CG2-CZ2 3.71Å; T159-W161 PolarHBondContact O-N 3.26Å; T159-W161 VanDerWaalsContact O-N 3.15Å; W161-K165 PolarHBondContact O-NZ 2.88Å
162	L	98.3	Very high	98.7	Very high	20 Å²	20	32 Å²	32	11%	0.105	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-93.7	-9.6	174.4	-57.1	-173.7	0	0	0	113.1	F100 H132 F153 T159 P160 G164 K165 H166	F100-L162 HydrophobicContact CE2-CD1 3.89Å; F100-L162 HydrophobicContact CZ-CD1 4.13Å; H132-L162 PolarHBondContact CE1-O 3.21Å; F153-L162 HydrophobicContact CE2-CD1 3.79Å; F153-L162 HydrophobicContact CZ-CD1 3.61Å; T159-L162 PolarHBondContact O-N 2.92Å; T159-L162 VanDerWaalsContact O-N 3.16Å; P160-L162 PolarHBondContact O-N 3.46Å; L162-G164 PolarHBondContact O-N 2.94Å; L162-K165 WeakPolarHBondContact O-CB 3.27Å; L162-K165 PolarHBondContact O-N 2.88Å; L162-K165 VanDerWaalsContact O-N 3.09Å; L162-H166 PolarHBondContact O-N 2.82Å
163	D	98.4	Very high	98.6	Very high	40 Å²	40	34.5 Å²	34.5	21%	0.214	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	135.3	-180	-68.7	-12.4	0	0	0	111	K131 H132 P160 K165	K131-D163 WeakPolarHBondContact CA-OD1 3.5Å; K131-D163 WeakPolarHBondContact CB-OD1 3.37Å; K131-D163 WeakPolarHBondContact CB-OD2 3.07Å; K131-D163 VanDerWaalsContact CD-OD2 3.28Å; K131-D163 WeakPolarHBondContact CD-OD2 3.29Å; K131-D163 HydrophobicContact CG-CB 4.29Å; K131-D163 WeakPolarHBondContact CG-OD2 3Å; H132-D163 IonicContact CE1-OD1 3.36Å; H132-D163 IonicContact CG-OD1 3.8Å; H132-D163 PolarHBondContact N-OD1 3.09Å; H132-D163 IonicContact ND1-OD1 2.96Å; H132-D163 PolarHBondContact ND1-OD1 3.22Å; P160-D163 VanDerWaalsContact O-CB 3.29Å; P160-D163 WeakPolarHBondContact O-CB 3.36Å; P160-D163 PolarHBondContact O-N 2.73Å; P160-D163 VanDerWaalsContact O-N 3.08Å; D163-K165 PolarHBondContact O-N 3.5Å
164	G	98	Very high	98.6	Very high	43 Å²	43	39.1 Å²	39.1	44%	0.443	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	1.8	-176.7	0	0	0	0	0	114.9	F128 L162	F128-G164 WeakPolarHBondContact CE2-O 3.24Å; F128-G164 WeakPolarHBondContact CZ-O 3.45Å; L162-G164 PolarHBondContact O-N 2.94Å
165	K	98.4	Very high	98.6	Very high	127 Å²	127	39.7 Å²	39.7	55%	0.552	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.3	-30.5	179.3	-59.7	175.4	-174.5	164.4	0	113.4	N142 W161 L162 D163	N142-K165 PolarHBondContact ND2-O 3.34Å; W161-K165 PolarHBondContact O-NZ 2.88Å; L162-K165 WeakPolarHBondContact O-CB 3.27Å; L162-K165 PolarHBondContact O-N 2.88Å; L162-K165 VanDerWaalsContact O-N 3.09Å; D163-K165 PolarHBondContact O-N 3.5Å
166	H	98.8	Very high	98.6	Very high	31 Å²	31	42.4 Å²	42.4	14%	0.144	22%	0.218	C	C	.	.	S	Bend	trans	-122.7	133.2	178.7	-64.6	-87.3	0	0	0	110	S139 M140 N142 F153 L162 V168	S139-H166 WeakPolarHBondContact OG-CB 3.27Å; M140-H166 WeakPolarHBondContact O-CB 3.49Å; M140-H166 PolarHBondContact O-ND1 3.31Å; N142-H166 PolarHBondContact OD1-CE1 3.08Å; N142-H166 VanDerWaalsContact OD1-CE1 3.3Å; F153-H166 HydrophobicContact CE1-CB 4.11Å; F153-H166 AromaticContact CE1-CG 3.97Å; F153-H166 AromaticContact CE1-ND1 3.85Å; F153-H166 HydrophobicContact CZ-CB 4.06Å; L162-H166 PolarHBondContact O-N 2.82Å; H166-V168 PolarHBondContact O-N 3.05Å
167	V	98.9	Very high	98.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.245	C	C	.	.			trans	-75.6	112.6	-179.4	179.4	0	0	0	0	109.1	V69 T72 D125 F128 S139 M140 F169	V69-V167 HydrophobicContact CG1-CG1 3.93Å; T72-V167 HydrophobicContact CG2-CG1 4.17Å; D125-V167 HydrophobicContact CB-CG2 3.93Å; F128-V167 HydrophobicContact CD1-CG2 4.5Å; F128-V167 HydrophobicContact CE1-CG2 4.03Å; S139-V167 WeakPolarHBondContact CA-O 3.37Å; S139-V167 PolarHBondContact OG-O 3.4Å; M140-V167 HydrophobicContact CB-CB 4.42Å; M140-V167 HydrophobicContact CG-CB 4.27Å; M140-V167 PolarHBondContact N-O 3.45Å; V167-F169 WeakPolarHBondContact O-CD1 3.24Å
168	V	98.9	Very high	98.6	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.024	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	127.6	174	175	0	0	0	0	109.7	L130 H132 W137 H166	L130-V168 HydrophobicContact CB-CB 3.8Å; L130-V168 HydrophobicContact CB-CG1 3.82Å; L130-V168 HydrophobicContact CD1-CG1 4.39Å; H132-V168 VanDerWaalsContact CE1-CG2 3.47Å; H132-V168 WeakPolarHBondContact CE1-CG2 3.31Å; H132-V168 WeakPolarHBondContact NE2-CG2 3.44Å; W137-V168 HydrophobicContact CD2-CG1 4.47Å; W137-V168 HydrophobicContact CE3-CG1 3.42Å; W137-V168 VanDerWaalsContact CE3-CG1 3.42Å; W137-V168 HydrophobicContact CZ3-CG1 3.95Å; H166-V168 PolarHBondContact O-N 3.05Å
169	F	98.9	Very high	98.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	-0.8	-169.8	70.9	-88.9	0	0	0	115.9	F65 V69 T72 V73 F76 L138 S139 M140 F152 V167	F65-F169 WeakPolarHBondContact CD2-O 3.48Å; F65-F169 PolarHBondContact N-O 2.91Å; V69-F169 HydrophobicContact CG2-CB 3.51Å; T72-F169 HydrophobicContact CG2-CB 3.73Å; T72-F169 HydrophobicContact CG2-CD1 3.73Å; T72-F169 HydrophobicContact CG2-CD2 4.21Å; T72-F169 HydrophobicContact CG2-CE1 4.35Å; T72-F169 HydrophobicContact CG2-CG 3.64Å; V73-F169 HydrophobicContact CG2-CB 4.42Å; V73-F169 HydrophobicContact CG2-CD2 4.47Å; F76-F169 HydrophobicContact CB-CD2 4.38Å; F76-F169 HydrophobicContact CB-CE2 3.61Å; F76-F169 HydrophobicContact CB-CZ 4.24Å; F76-F169 AromaticContact CD1-CE2 3.83Å; F76-F169 HydrophobicContact CD1-CE2 3.83Å; F76-F169 AromaticContact CD2-CE2 3.59Å; F76-F169 HydrophobicContact CD2-CE2 3.59Å; F76-F169 AromaticContact CD2-CZ 3.59Å; F76-F169 HydrophobicContact CD2-CZ 3.59Å; F76-F169 HydrophobicContact CE1-CE2 4.35Å; F76-F169 HydrophobicContact CE2-CE2 4.16Å; F76-F169 HydrophobicContact CE2-CZ 4.02Å; F76-F169 HydrophobicContact CG-CD2 4.49Å; F76-F169 AromaticContact CG-CE2 3.41Å; F76-F169 HydrophobicContact CG-CE2 3.41Å; F76-F169 VanDerWaalsContact CG-CE2 3.41Å; F76-F169 AromaticContact CG-CZ 3.93Å; F76-F169 HydrophobicContact CG-CZ 3.93Å; F76-F169 HydrophobicContact CZ-CE2 4.5Å; L138-F169 HydrophobicContact CD1-CZ 4.12Å; L138-F169 HydrophobicContact CD2-CD2 3.86Å; L138-F169 HydrophobicContact CD2-CE1 4.21Å; L138-F169 HydrophobicContact CD2-CE2 3.15Å; L138-F169 HydrophobicContact CD2-CZ 3.37Å; L138-F169 HydrophobicContact CG-CD1 4.47Å; L138-F169 HydrophobicContact CG-CD2 4.37Å; L138-F169 HydrophobicContact CG-CE1 3.86Å; L138-F169 HydrophobicContact CG-CE2 3.74Å; L138-F169 HydrophobicContact CG-CZ 3.46Å; L138-F169 VanDerWaalsContact CG-CZ 3.46Å; L138-F169 PolarHBondContact O-N 3.44Å; S139-F169 VanDerWaalsContact C-CE1 3.46Å; M140-F169 HydrophobicContact CG-CD1 3.84Å; M140-F169 HydrophobicContact CG-CE1 3.71Å; M140-F169 HydrophobicContact SD-CD1 4.03Å; M140-F169 HydrophobicContact SD-CE1 3.4Å; M140-F169 WeakPolarHBondContact SD-CE1 3.45Å; M140-F169 HydrophobicContact SD-CZ 3.87Å; F152-F169 HydrophobicContact CB-CE1 4.5Å; F152-F169 HydrophobicContact CB-CZ 4.27Å; V167-F169 WeakPolarHBondContact O-CD1 3.24Å
170	G	98.8	Very high	98.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	-179.9	173.4	0	0	0	0	0	114	G63 F65 L138	G63-G170 CarbonylContact O-C 3.47Å; G63-G170 WeakPolarHBondContact O-CA 3.32Å; F65-G170 WeakPolarHBondContact CE2-O 3.19Å; F65-G170 VanDerWaalsContact CZ-C 3.45Å; L138-G170 PolarHBondContact N-O 3.03Å; L138-G170 PolarHBondContact O-N 3.49Å
171	K	98.9	Very high	98.7	Very high	28 Å²	28	44.4 Å²	44.4	12%	0.122	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	136.7	172.2	-176.3	175.3	178.9	171.1	0	110	G63 F65 G136 W137 L173 E216	G63-K171 PolarHBondContact N-O 2.95Å; G63-K171 PolarHBondContact O-N 3.24Å; F65-K171 HydrophobicContact CZ-CB 3.81Å; G136-K171 CarbonylContact O-C 3.57Å; G136-K171 VanDerWaalsContact O-CA 3.32Å; G136-K171 WeakPolarHBondContact O-CA 3.34Å; W137-K171 HydrophobicContact CD2-CB 4.49Å; W137-K171 HydrophobicContact CD2-CD 4.39Å; W137-K171 HydrophobicContact CZ2-CD 3.96Å; K171-L173 PolarHBondContact O-N 3.22Å; K171-E216 PolarHBondContact NZ-O 2.87Å
172	V	98.9	Very high	98.7	Very high	8 Å²	8	37.9 Å²	37.9	5%	0.048	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	127.9	171.3	179.7	0	0	0	0	108.7	V60 I62 G136 I154 E174 M176 V179	V60-V172 HydrophobicContact CG1-CG1 3.81Å; V60-V172 HydrophobicContact CG1-CG2 3.98Å; I62-V172 HydrophobicContact CG1-CG2 4.31Å; G136-V172 WeakPolarHBondContact O-CG2 3.01Å; G136-V172 PolarHBondContact O-N 3.38Å; I154-V172 HydrophobicContact CD1-CG2 4.19Å; I154-V172 HydrophobicContact CG2-CG2 3.76Å; V172-E174 VanDerWaalsContact CG1-O 3.3Å; V172-E174 WeakPolarHBondContact CG1-O 3.01Å; V172-M176 HydrophobicContact CB-CG 4.09Å; V172-M176 HydrophobicContact CB-SD 3.52Å; V172-M176 VanDerWaalsContact CB-SD 3.52Å; V172-M176 HydrophobicContact CG1-CG 3.67Å; V172-M176 HydrophobicContact CG1-SD 3.56Å; V172-M176 VanDerWaalsContact CG1-SD 3.56Å; V172-M176 HydrophobicContact CG2-SD 3.84Å; V172-V179 HydrophobicContact CG2-CG2 4.34Å
173	L	98.7	Very high	98.7	Very high	53 Å²	53	37.5 Å²	37.5	28%	0.277	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	-35.2	179.1	-56.6	179.3	0	0	0	111.4	V42 K45 V61 K171 F211 V213	V42-L173 HydrophobicContact CG1-CD1 4.38Å; K45-L173 HydrophobicContact CD-CD1 4.32Å; K45-L173 HydrophobicContact CG-CD1 4.15Å; V61-L173 PolarHBondContact O-N 2.87Å; K171-L173 PolarHBondContact O-N 3.22Å; L173-F211 HydrophobicContact CD1-CE2 4.43Å; L173-F211 HydrophobicContact CD1-CZ 3.91Å; L173-V213 HydrophobicContact CD2-CG1 3.98Å
174	E	98.8	Very high	98.7	Very high	104 Å²	104	39.3 Å²	39.3	49%	0.486	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	146.6	-178.1	-51.1	161.8	-136.8	0	0	108.2	K45 V61 V172	K45-E174 IonicContact NZ-OE1 3.55Å; K45-E174 PolarHBondContact NZ-OE1 2.83Å; V61-E174 HydrophobicContact CB-CB 3.91Å; V61-E174 HydrophobicContact CB-CG 4.29Å; V61-E174 HydrophobicContact CG2-CB 4.11Å; V61-E174 PolarHBondContact N-O 3.11Å; V61-E174 PolarHBondContact O-N 3.04Å; V172-E174 VanDerWaalsContact CG1-O 3.3Å; V172-E174 WeakPolarHBondContact CG1-O 3.01Å
175	G	98.7	Very high	98.7	Very high	14 Å²	14	38.7 Å²	38.7	14%	0.144	20%	0.196	C	C	.	.			trans	84.5	26.6	178.9	0	0	0	0	0	115.4	R59 D177 V178 V179	R59-G175 WeakPolarHBondContact O-CA 3.37Å; G175-D177 WeakPolarHBondContact CA-OD1 3.43Å; G175-D177 PolarHBondContact O-N 3.48Å; G175-V178 WeakPolarHBondContact O-CB 3.49Å; G175-V178 PolarHBondContact O-N 3.32Å; G175-V178 VanDerWaalsContact O-N 3.15Å; G175-V179 PolarHBondContact O-N 3.48Å
176	M	98.7	Very high	98.8	Very high	56 Å²	56	40.5 Å²	40.5	28%	0.276	20%	0.204	S	C	.	.	H	α-helix	trans	-64.5	-28.7	172.5	-85.4	-55.2	-64.4	0	0	112.7	P135 G136 V172 V178 V179 T180	P135-M176 HydrophobicContact CB-CE 4.07Å; G136-M176 WeakPolarHBondContact CA-SD 3.44Å; V172-M176 HydrophobicContact CB-CG 4.09Å; V172-M176 HydrophobicContact CB-SD 3.52Å; V172-M176 VanDerWaalsContact CB-SD 3.52Å; V172-M176 HydrophobicContact CG1-CG 3.67Å; V172-M176 HydrophobicContact CG1-SD 3.56Å; V172-M176 VanDerWaalsContact CG1-SD 3.56Å; V172-M176 HydrophobicContact CG2-SD 3.84Å; M176-V178 VanDerWaalsContact C-N 3.29Å; M176-V178 PolarHBondContact O-N 2.98Å; M176-V179 HydrophobicContact CE-CB 4.28Å; M176-V179 HydrophobicContact CE-CG1 4.07Å; M176-V179 WeakPolarHBondContact O-CB 3.41Å; M176-V179 PolarHBondContact O-N 3.49Å; M176-V179 HydrophobicContact SD-CB 4.15Å; M176-V179 HydrophobicContact SD-CG1 4.33Å; M176-V179 HydrophobicContact SD-CG2 4.17Å; M176-T180 PolarHBondContact O-N 3.37Å; M176-T180 PolarHBondContact O-OG1 3.19Å; M176-T180 VanDerWaalsContact O-OG1 3.1Å
177	D	98.8	Very high	98.8	Very high	119 Å²	119	41.8 Å²	41.8	64%	0.636	21%	0.214	S	C	*	.	H	α-helix	trans	-61.2	-37.4	170.9	60.2	-56.7	0	0	0	112	G175 T180 K181	G175-D177 WeakPolarHBondContact CA-OD1 3.43Å; G175-D177 PolarHBondContact O-N 3.48Å; D177-T180 PolarHBondContact O-N 2.96Å; D177-K181 WeakPolarHBondContact O-CB 3.24Å; D177-K181 PolarHBondContact O-N 3.02Å
178	V	98.9	Very high	98.7	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.024	23%	0.226	C	C	.	.	H	α-helix	trans	-65.8	-45	172.9	-176.1	0	0	0	0	110.4	I50 V57 V60 G175 M176 T180 K181 I182	I50-V178 HydrophobicContact CB-CG1 4.03Å; I50-V178 HydrophobicContact CG1-CG1 4.03Å; V57-V178 HydrophobicContact CG2-CG1 3.93Å; V60-V178 HydrophobicContact CG2-CB 3.93Å; V60-V178 HydrophobicContact CG2-CG1 3.93Å; G175-V178 WeakPolarHBondContact O-CB 3.49Å; G175-V178 PolarHBondContact O-N 3.32Å; G175-V178 VanDerWaalsContact O-N 3.15Å; M176-V178 VanDerWaalsContact C-N 3.29Å; M176-V178 PolarHBondContact O-N 2.98Å; V178-T180 VanDerWaalsContact C-N 3.32Å; V178-T180 PolarHBondContact O-N 3.04Å; V178-K181 WeakPolarHBondContact O-CB 3.35Å; V178-K181 PolarHBondContact O-N 3.47Å; V178-K181 VanDerWaalsContact O-N 3.1Å; V178-I182 WeakPolarHBondContact O-CG1 3.35Å; V178-I182 PolarHBondContact O-N 3.1Å
179	V	98.9	Very high	98.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-57.7	-44.6	174.4	172.6	0	0	0	0	111	V60 I102 I154 T156 V172 G175 M176 K181 I182 E183	V60-V179 HydrophobicContact CG1-CG2 4.07Å; V60-V179 HydrophobicContact CG2-CG2 4Å; I102-V179 HydrophobicContact CD1-CB 4.35Å; I102-V179 HydrophobicContact CD1-CG1 3.79Å; I102-V179 HydrophobicContact CD1-CG2 4.33Å; I102-V179 HydrophobicContact CG1-CG1 4.32Å; I154-V179 HydrophobicContact CD1-CG2 4.39Å; I154-V179 HydrophobicContact CG2-CG1 4Å; I154-V179 HydrophobicContact CG2-CG2 4.38Å; T156-V179 HydrophobicContact CG2-CG1 4.1Å; V172-V179 HydrophobicContact CG2-CG2 4.34Å; G175-V179 PolarHBondContact O-N 3.48Å; M176-V179 HydrophobicContact CE-CB 4.28Å; M176-V179 HydrophobicContact CE-CG1 4.07Å; M176-V179 WeakPolarHBondContact O-CB 3.41Å; M176-V179 PolarHBondContact O-N 3.49Å; M176-V179 HydrophobicContact SD-CB 4.15Å; M176-V179 HydrophobicContact SD-CG1 4.33Å; M176-V179 HydrophobicContact SD-CG2 4.17Å; V179-K181 VanDerWaalsContact C-N 3.34Å; V179-K181 PolarHBondContact O-N 2.93Å; V179-I182 WeakPolarHBondContact O-CB 3.05Å; V179-I182 PolarHBondContact O-N 2.86Å; V179-E183 PolarHBondContact O-N 2.85Å
180	T	98.8	Very high	98.6	Very high	57 Å²	57	56.3 Å²	56.3	35%	0.35	30%	0.298	S	S	.	.	H	α-helix	trans	-64.9	-35.5	175.2	-60.9	0	0	0	0	112.2	M176 D177 V178 E183 N184	M176-T180 PolarHBondContact O-N 3.37Å; M176-T180 PolarHBondContact O-OG1 3.19Å; M176-T180 VanDerWaalsContact O-OG1 3.1Å; D177-T180 PolarHBondContact O-N 2.96Å; V178-T180 VanDerWaalsContact C-N 3.32Å; V178-T180 PolarHBondContact O-N 3.04Å; T180-E183 PolarHBondContact O-N 3.04Å; T180-N184 WeakPolarHBondContact CG2-ND2 3.43Å; T180-N184 PolarHBondContact O-N 3.16Å; T180-N184 PolarHBondContact O-ND2 2.93Å
181	K	98.7	Very high	98.6	Very high	87 Å²	87	58.6 Å²	58.6	38%	0.378	31%	0.311	S	S	.	.	H	α-helix	trans	-65.2	-40.2	173.9	-172.1	171.6	173.9	-176	0	111.3	I52 E55 V57 D177 V178 V179 N184 T185	I52-K181 HydrophobicContact CD1-CG 4.08Å; E55-K181 IonicContact OE1-NZ 3.59Å; E55-K181 PolarHBondContact OE1-NZ 3.39Å; V57-K181 HydrophobicContact CB-CD 4.05Å; V57-K181 HydrophobicContact CG1-CD 4.14Å; V57-K181 VanDerWaalsContact CG1-NZ 3.33Å; D177-K181 WeakPolarHBondContact O-CB 3.24Å; D177-K181 PolarHBondContact O-N 3.02Å; V178-K181 WeakPolarHBondContact O-CB 3.35Å; V178-K181 PolarHBondContact O-N 3.47Å; V178-K181 VanDerWaalsContact O-N 3.1Å; V179-K181 VanDerWaalsContact C-N 3.34Å; V179-K181 PolarHBondContact O-N 2.93Å; K181-N184 PolarHBondContact O-N 3.37Å; K181-T185 PolarHBondContact O-N 2.73Å
182	I	98.8	Very high	98.6	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-62	-50.1	172.9	-60.5	166.4	0	0	0	110.1	I50 F93 V96 I102 V178 V179 N184 T185 V197	I50-I182 HydrophobicContact CG1-CD1 4.29Å; I50-I182 HydrophobicContact CG2-CD1 3.9Å; I50-I182 HydrophobicContact CG2-CG1 4.16Å; F93-I182 HydrophobicContact CD2-CD1 4.49Å; F93-I182 HydrophobicContact CE2-CD1 4.3Å; V96-I182 HydrophobicContact CG2-CG2 3.95Å; I102-I182 HydrophobicContact CB-CG2 4.2Å; I102-I182 HydrophobicContact CD1-CB 4.12Å; I102-I182 HydrophobicContact CD1-CD1 3.75Å; I102-I182 HydrophobicContact CD1-CG2 3.99Å; I102-I182 HydrophobicContact CG2-CB 4.36Å; I102-I182 HydrophobicContact CG2-CG2 3.8Å; V178-I182 WeakPolarHBondContact O-CG1 3.35Å; V178-I182 PolarHBondContact O-N 3.1Å; V179-I182 WeakPolarHBondContact O-CB 3.05Å; V179-I182 PolarHBondContact O-N 2.86Å; I182-N184 PolarHBondContact O-N 3.08Å; I182-T185 WeakPolarHBondContact O-CB 3.38Å; I182-T185 WeakPolarHBondContact O-CG2 3.4Å; I182-T185 PolarHBondContact O-N 2.88Å; I182-V197 HydrophobicContact CB-CG1 4.39Å; I182-V197 HydrophobicContact CD1-CG1 4.03Å; I182-V197 HydrophobicContact CG1-CG1 3.76Å; I182-V197 HydrophobicContact CG2-CB 4.45Å; I182-V197 HydrophobicContact CG2-CG1 3.82Å; I182-V197 HydrophobicContact CG2-CG2 4.28Å
183	E	98.8	Very high	98.5	Very high	11 Å²	11	60.7 Å²	60.7	5%	0.051	32%	0.32	C	S	.	.	H	α-helix	trans	-54.8	-36.5	179.8	-176	-168.8	-162.9	0	0	112.9	K98 Q99 I102 T156 V179 T180 T185	K98-E183 HydrophobicContact CB-CG 4.33Å; K98-E183 HydrophobicContact CG-CG 4.31Å; Q99-E183 WeakPolarHBondContact CA-OE1 3.4Å; Q99-E183 PolarHBondContact N-OE1 2.85Å; Q99-E183 PolarHBondContact NE2-OE1 3.29Å; I102-E183 HydrophobicContact CG2-CB 4.29Å; T156-E183 VanDerWaalsContact CB-CD 3.41Å; T156-E183 VanDerWaalsContact CB-OE1 3.23Å; T156-E183 WeakPolarHBondContact CB-OE1 3.49Å; T156-E183 HydrophobicContact CG2-CB 4.05Å; T156-E183 HydrophobicContact CG2-CG 3.91Å; T156-E183 VanDerWaalsContact OG1-CD 3.27Å; T156-E183 PolarHBondContact OG1-OE1 2.94Å; V179-E183 PolarHBondContact O-N 2.85Å; T180-E183 PolarHBondContact O-N 3.04Å; E183-T185 VanDerWaalsContact C-N 3.33Å
184	N	98.6	Very high	98.5	Very high	79 Å²	79	63.5 Å²	63.5	42%	0.422	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	7.1	-178.8	-72.6	-69.6	0	0	0	114	K98 T180 K181 I182	K98-N184 WeakPolarHBondContact CE-OD1 3.4Å; K98-N184 PolarHBondContact NZ-OD1 3.3Å; T180-N184 WeakPolarHBondContact CG2-ND2 3.43Å; T180-N184 PolarHBondContact O-N 3.16Å; T180-N184 PolarHBondContact O-ND2 2.93Å; K181-N184 PolarHBondContact O-N 3.37Å; I182-N184 PolarHBondContact O-N 3.08Å
185	T	98.3	Very high	98.5	Very high	29 Å²	29	64.8 Å²	64.8	18%	0.178	34%	0.338	C	S	.	.	S	Bend	trans	-64.8	153.3	172.1	-160	0	0	0	0	111	V96 K181 I182 E183 T187 P193 V197	V96-T185 HydrophobicContact CG1-CG2 4.34Å; K181-T185 PolarHBondContact O-N 2.73Å; I182-T185 WeakPolarHBondContact O-CB 3.38Å; I182-T185 WeakPolarHBondContact O-CG2 3.4Å; I182-T185 PolarHBondContact O-N 2.88Å; E183-T185 VanDerWaalsContact C-N 3.33Å; T185-T187 HydrophobicContact CG2-CG2 4.3Å; T185-P193 HydrophobicContact CG2-CB 3.8Å; T185-P193 HydrophobicContact CG2-CG 3.95Å; T185-V197 HydrophobicContact CG2-CG2 4.39Å
186	K	98.6	Very high	98.5	Very high	166 Å²	166	67.1 Å²	67.1	72%	0.722	35%	0.347	S	S	*	.			trans	-71.4	134.9	173.8	-65.2	-175.9	179.4	-178.2	0	109.4	P193 L194	K186-P193 WeakPolarHBondContact O-CA 3.4Å; K186-L194 HydrophobicContact CB-CD1 3.71Å; K186-L194 HydrophobicContact CB-CG 4.12Å; K186-L194 WeakPolarHBondContact O-CG 3.39Å; K186-L194 PolarHBondContact O-N 3.44Å
187	T	98.8	Very high	98.5	Very high	57 Å²	57	64.5 Å²	64.5	35%	0.35	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-119.3	159	177.9	56.1	0	0	0	0	111.9	V96 T185 K192	V96-T187 HydrophobicContact CB-CG2 4.08Å; V96-T187 HydrophobicContact CG1-CG2 4.34Å; T185-T187 HydrophobicContact CG2-CG2 4.3Å; T187-K192 CarbonylContact C-O 3.53Å; T187-K192 WeakPolarHBondContact CA-O 3.37Å; T187-K192 WeakPolarHBondContact CB-O 3.38Å
188	D	98.1	Very high	98.5	Very high	45 Å²	45	60.3 Å²	60.3	24%	0.241	31%	0.313	C	S	.	.			trans	-79.7	179.7	166.5	78.8	2.4	0	0	0	111.3	R190 D191 K192 L194	D188-R190 PolarHBondContact O-N 2.85Å; D188-R190 WeakPolarHBondContact OD1-CA 3.47Å; D188-R190 WeakPolarHBondContact OD1-CB 3.23Å; D188-R190 PolarHBondContact OD1-N 3.45Å; D188-R190 IonicContact OD2-CZ 3.25Å; D188-R190 IonicContact OD2-NE 3.91Å; D188-R190 PolarHBondContact OD2-NE 3.43Å; D188-R190 IonicContact OD2-NH2 3.68Å; D188-R190 PolarHBondContact OD2-NH2 3.06Å; D188-D191 PolarHBondContact O-N 3.08Å; D188-D191 VanDerWaalsContact O-N 3.1Å; D188-D191 PolarHBondContact OD1-N 3.39Å; D188-K192 PolarHBondContact N-O 3.37Å; D188-K192 WeakPolarHBondContact OD1-CB 3.28Å; D188-K192 PolarHBondContact OD1-N 3.16Å; D188-L194 HydrophobicContact CB-CD2 3.95Å
189	G	97.6	Very high	98.5	Very high	85 Å²	85	60.1 Å²	60.1	88%	0.876	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-0.8	179.2	0	0	0	0	0	115.6
190	R	97.3	Very high	98.5	Very high	180 Å²	180	63.9 Å²	63.9	68%	0.679	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	17.7	174.3	-58.9	173.8	-64.8	180	-2.2	111.6	D188 K192	D188-R190 PolarHBondContact O-N 2.85Å; D188-R190 WeakPolarHBondContact OD1-CA 3.47Å; D188-R190 WeakPolarHBondContact OD1-CB 3.23Å; D188-R190 PolarHBondContact OD1-N 3.45Å; D188-R190 IonicContact OD2-CZ 3.25Å; D188-R190 IonicContact OD2-NE 3.91Å; D188-R190 PolarHBondContact OD2-NE 3.43Å; D188-R190 IonicContact OD2-NH2 3.68Å; D188-R190 PolarHBondContact OD2-NH2 3.06Å; R190-K192 PolarHBondContact O-N 3.15Å
191	D	98.6	Very high	98.5	Very high	48 Å²	48	62.9 Å²	62.9	26%	0.257	32%	0.322	S	S	.	.	S	Bend	trans	64.6	15.8	-176.9	-45.4	-48.4	0	0	0	113.6	R95 V96 I97 D188	R95-D191 CarbonylContact C-O 3.52Å; R95-D191 WeakPolarHBondContact CA-O 3.44Å; R95-D191 HydrophobicContact CG-CB 3.83Å; R95-D191 IonicContact NE-OD2 3.67Å; R95-D191 PolarHBondContact NE-OD2 3.19Å; R95-D191 IonicContact NH2-OD2 2.85Å; V96-D191 PolarHBondContact N-O 2.87Å; I97-D191 HydrophobicContact CD1-CB 4.42Å; I97-D191 WeakPolarHBondContact CD1-OD2 2.94Å; I97-D191 HydrophobicContact CG1-CB 3.75Å; D188-D191 PolarHBondContact O-N 3.08Å; D188-D191 VanDerWaalsContact O-N 3.1Å; D188-D191 PolarHBondContact OD1-N 3.39Å
192	K	98.6	Very high	98.5	Very high	75 Å²	75	59.3 Å²	59.3	33%	0.326	31%	0.308	S	S	.	.			trans	-83.9	128.6	178.6	-176.5	-174	172.3	-173.6	0	110	T187 D188 R190 L194	T187-K192 CarbonylContact C-O 3.53Å; T187-K192 WeakPolarHBondContact CA-O 3.37Å; T187-K192 WeakPolarHBondContact CB-O 3.38Å; D188-K192 PolarHBondContact N-O 3.37Å; D188-K192 WeakPolarHBondContact OD1-CB 3.28Å; D188-K192 PolarHBondContact OD1-N 3.16Å; R190-K192 PolarHBondContact O-N 3.15Å; K192-L194 PolarHBondContact O-N 2.72Å
193	P	98.8	Very high	98.5	Very high	5 Å²	5	59.5 Å²	59.5	3%	0.032	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-53.3	135.1	172.4	-29.9	38.4	0	0	0	113.1	V96 T185 K186 K195 V197	V96-P193 HydrophobicContact CB-CG 4.09Å; V96-P193 HydrophobicContact CG2-CG 3.6Å; T185-P193 HydrophobicContact CG2-CB 3.8Å; T185-P193 HydrophobicContact CG2-CG 3.95Å; K186-P193 WeakPolarHBondContact O-CA 3.4Å; P193-K195 WeakPolarHBondContact CB-O 3.29Å; P193-V197 HydrophobicContact CB-CG2 4Å; P193-V197 HydrophobicContact CG-CG2 4.11Å
194	L	98.6	Very high	98.5	Very high	111 Å²	111	62.9 Å²	62.9	58%	0.581	33%	0.325	S	S	*	.	S	Bend	trans	-70.1	-34.2	177.7	-63.1	-175	0	0	0	112.2	K186 D188 K192	K186-L194 HydrophobicContact CB-CD1 3.71Å; K186-L194 HydrophobicContact CB-CG 4.12Å; K186-L194 WeakPolarHBondContact O-CG 3.39Å; K186-L194 PolarHBondContact O-N 3.44Å; D188-L194 HydrophobicContact CB-CD2 3.95Å; K192-L194 PolarHBondContact O-N 2.72Å
195	K	98.6	Very high	98.5	Very high	131 Å²	131	61.9 Å²	61.9	57%	0.57	32%	0.319	S	S	*	.	S	Bend	trans	-103	130.4	164.9	-68.7	-173.8	177.5	-173.1	0	107.7	I52 P193 V197	I52-K195 HydrophobicContact CG2-CB 4.05Å; I52-K195 HydrophobicContact CG2-CD 4.46Å; P193-K195 WeakPolarHBondContact CB-O 3.29Å; K195-V197 PolarHBondContact O-N 3.33Å
196	D	98.7	Very high	98.2	Very high	64 Å²	64	66.8 Å²	66.8	34%	0.342	34%	0.34	S	S	.	.			trans	-58.6	129.1	178.6	-86.6	7.6	0	0	0	109.8	G53 K92 T198	G53-D196 PolarHBondContact N-O 3.29Å; K92-D196 IonicContact NZ-OD1 2.73Å; K92-D196 IonicContact NZ-OD2 3.39Å; K92-D196 PolarHBondContact NZ-OD2 2.95Å; D196-T198 HydrophobicContact CB-CG2 4.22Å
197	V	98.8	Very high	98.1	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	108.8	173.5	-179.2	0	0	0	0	107.1	I50 R51 I52 K92 F93 I182 T185 P193 K195	I50-V197 HydrophobicContact CG2-CG1 3.78Å; R51-V197 CarbonylContact O-C 3.52Å; R51-V197 VanDerWaalsContact O-CA 3.3Å; R51-V197 WeakPolarHBondContact O-CA 3.38Å; I52-V197 HydrophobicContact CG1-CG1 4.33Å; I52-V197 HydrophobicContact CG1-CG2 4.16Å; I52-V197 HydrophobicContact CG2-CG2 4.4Å; K92-V197 CarbonylContact C-O 3.59Å; K92-V197 WeakPolarHBondContact CA-O 3.5Å; K92-V197 VanDerWaalsContact CB-O 3.22Å; K92-V197 WeakPolarHBondContact CB-O 3.46Å; F93-V197 HydrophobicContact CB-CB 4.16Å; F93-V197 HydrophobicContact CB-CG1 4.25Å; F93-V197 HydrophobicContact CD2-CB 4.44Å; F93-V197 HydrophobicContact CD2-CG1 3.76Å; F93-V197 HydrophobicContact CG-CG1 4.34Å; F93-V197 PolarHBondContact N-O 2.81Å; I182-V197 HydrophobicContact CB-CG1 4.39Å; I182-V197 HydrophobicContact CD1-CG1 4.03Å; I182-V197 HydrophobicContact CG1-CG1 3.76Å; I182-V197 HydrophobicContact CG2-CB 4.45Å; I182-V197 HydrophobicContact CG2-CG1 3.82Å; I182-V197 HydrophobicContact CG2-CG2 4.28Å; T185-V197 HydrophobicContact CG2-CG2 4.39Å; P193-V197 HydrophobicContact CB-CG2 4Å; P193-V197 HydrophobicContact CG-CG2 4.11Å; K195-V197 PolarHBondContact O-N 3.33Å
198	T	98.9	Very high	97.8	Very high	32 Å²	32	67 Å²	67	20%	0.196	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	147.3	-169.9	59.2	0	0	0	0	112.1	I50 R51 S91 K92 D196 H200	I50-T198 WeakPolarHBondContact CA-O 3.12Å; R51-T198 PolarHBondContact N-O 3.25Å; R51-T198 PolarHBondContact O-N 2.94Å; S91-T198 WeakPolarHBondContact O-CA 3.2Å; K92-T198 HydrophobicContact CB-CG2 4.31Å; D196-T198 HydrophobicContact CB-CG2 4.22Å; T198-H200 PolarHBondContact O-N 2.78Å
199	I	98.9	Very high	97.7	Very high	0 Å²	0	73.1 Å²	73.1	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	92.2	167.5	-58.1	173	0	0	0	106.3	F48 D49 I50 G90 S91 F93 F152 C202	F48-I199 HydrophobicContact CB-CG2 4.13Å; F48-I199 HydrophobicContact CD1-CD1 4.34Å; F48-I199 HydrophobicContact CD1-CG2 3.72Å; F48-I199 HydrophobicContact CD2-CD1 4.28Å; F48-I199 HydrophobicContact CE1-CD1 4.31Å; F48-I199 HydrophobicContact CE1-CG2 4.37Å; F48-I199 HydrophobicContact CE2-CD1 4.23Å; F48-I199 HydrophobicContact CG-CD1 4.33Å; F48-I199 HydrophobicContact CG-CG1 4.5Å; F48-I199 HydrophobicContact CG-CG2 4.07Å; F48-I199 HydrophobicContact CZ-CD1 4.24Å; D49-I199 CarbonylContact O-C 3.57Å; I50-I199 HydrophobicContact CD1-CG1 4.08Å; G90-I199 PolarHBondContact N-O 3.2Å; S91-I199 PolarHBondContact O-N 3.18Å; F93-I199 HydrophobicContact CD2-CG1 4.5Å; F93-I199 HydrophobicContact CE2-CD1 4.2Å; F93-I199 HydrophobicContact CE2-CG1 3.82Å; F93-I199 HydrophobicContact CZ-CD1 4.49Å; F152-I199 HydrophobicContact CZ-CD1 4.13Å; I199-C202 HydrophobicContact CG2-CB 3.73Å
200	H	98.6	Very high	97.7	Very high	78 Å²	78	71.9 Å²	71.9	36%	0.361	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	-42.9	-175.1	175.3	-108.7	0	0	0	111.9	D49 R51 K89 T198	D49-H200 PolarHBondContact O-N 3.1Å; R51-H200 HydrophobicContact CG-CB 3.98Å; R51-H200 PolarHBondContact NH1-CD2 3.47Å; R51-H200 PolarHBondContact NH1-NE2 3.29Å; K89-H200 WeakPolarHBondContact CE-O 3.18Å; T198-H200 PolarHBondContact O-N 2.78Å
201	D	98.8	Very high	97.7	Very high	37 Å²	37	67.1 Å²	67.1	20%	0.198	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	152.4	171.1	-163.6	47.7	0	0	0	110.9	Y47 D49 K89	Y47-D201 HydrophobicContact CE2-CB 4.48Å; Y47-D201 WeakPolarHBondContact CE2-OD2 3.3Å; Y47-D201 PolarHBondContact OH-OD2 2.67Å; D49-D201 HydrophobicContact CB-CB 4.15Å; D49-D201 PolarHBondContact N-O 3.24Å; D49-D201 PolarHBondContact O-N 3.39Å; K89-D201 VanDerWaalsContact CE-OD1 3.3Å; K89-D201 WeakPolarHBondContact CE-OD1 3.39Å; K89-D201 IonicContact NZ-OD1 3.45Å; K89-D201 PolarHBondContact NZ-OD1 3.25Å
202	C	98.9	Very high	97.6	Very high	11 Å²	11	66.8 Å²	66.8	7%	0.074	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	156.9	178.5	61.3	0	0	0	0	111.9	Y47 F48 A80 K89 I199	Y47-C202 WeakPolarHBondContact O-CA 3.32Å; Y47-C202 WeakPolarHBondContact O-CB 3.17Å; F48-C202 HydrophobicContact CD1-CB 3.46Å; F48-C202 VanDerWaalsContact CD1-CB 3.46Å; F48-C202 HydrophobicContact CE1-CB 3.81Å; A80-C202 CarbonylContact O-C 3.53Å; A80-C202 PolarHBondContact O-SG 3.4Å; K89-C202 PolarHBondContact N-SG 2.86Å; K89-C202 VanDerWaalsContact N-SG 3.37Å; I199-C202 HydrophobicContact CG2-CB 3.73Å
203	G	98.8	Very high	97.5	Very high	6 Å²	6	64.2 Å²	64.2	6%	0.062	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.7	-176.6	177	0	0	0	0	0	113.6	V46 Y47	V46-G203 CarbonylContact C-O 3.53Å; V46-G203 VanDerWaalsContact CA-O 3.29Å; V46-G203 WeakPolarHBondContact CA-O 3.3Å; Y47-G203 WeakPolarHBondContact CD1-O 3.22Å; Y47-G203 PolarHBondContact N-O 3.33Å; Y47-G203 PolarHBondContact O-N 3.42Å
204	K	98.7	Very high	97.3	Very high	82 Å²	82	66 Å²	66	36%	0.357	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	141	179.1	-173.1	-170.3	-179.9	-163.9	0	110.5	K45 V77 T81 E206	K45-K204 WeakPolarHBondContact O-CA 3.43Å; V77-K204 HydrophobicContact CG1-CB 4.24Å; V77-K204 HydrophobicContact CG1-CD 3.78Å; V77-K204 HydrophobicContact CG1-CG 3.97Å; T81-K204 HydrophobicContact CG2-CB 3.76Å; K204-E206 VanDerWaalsContact CE-CD 3.5Å; K204-E206 WeakPolarHBondContact CE-OE1 3.47Å; K204-E206 VanDerWaalsContact CE-OE2 3.26Å; K204-E206 WeakPolarHBondContact CE-OE2 3.29Å; K204-E206 IonicContact NZ-OE1 2.82Å; K204-E206 PolarHBondContact NZ-OE1 2.94Å; K204-E206 IonicContact NZ-OE2 3.49Å; K204-E206 PolarHBondContact NZ-OE2 3.2Å
205	I	98.3	Very high	97.2	Very high	58 Å²	58	66 Å²	66	30%	0.297	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	125.3	165.7	-65	163.2	0	0	0	107.3	K45 Y47	K45-I205 HydrophobicContact CB-CB 3.81Å; K45-I205 HydrophobicContact CB-CG2 4.24Å; K45-I205 HydrophobicContact CD-CG2 4.27Å; K45-I205 PolarHBondContact N-O 3.32Å; K45-I205 PolarHBondContact O-N 3.46Å; Y47-I205 HydrophobicContact CD1-CD1 3.96Å; Y47-I205 HydrophobicContact CD1-CG1 3.94Å; Y47-I205 HydrophobicContact CG-CD1 4.33Å
206	E	91.6	Very high	96.9	Very high	132 Å²	132	66.6 Å²	66.6	62%	0.617	34%	0.336	S	S	*	.			trans	-68.9	147.9	178.3	-63.5	-62.4	167.3	0	0	111.5	K204	K204-E206 VanDerWaalsContact CE-CD 3.5Å; K204-E206 WeakPolarHBondContact CE-OE1 3.47Å; K204-E206 VanDerWaalsContact CE-OE2 3.26Å; K204-E206 WeakPolarHBondContact CE-OE2 3.29Å; K204-E206 IonicContact NZ-OE1 2.82Å; K204-E206 PolarHBondContact NZ-OE1 2.94Å; K204-E206 IonicContact NZ-OE2 3.49Å; K204-E206 PolarHBondContact NZ-OE2 3.2Å
207	V	95.7	Very high	96.8	Very high	24 Å²	24	66.7 Å²	66.7	15%	0.145	34%	0.335	C	S	.	.			trans	-119	107.3	174.8	174.5	0	0	0	0	107.4	V42 K45 K209 F211	V42-V207 HydrophobicContact CG1-CG2 4.38Å; K45-V207 HydrophobicContact CB-CG2 4.38Å; K45-V207 HydrophobicContact CD-CG2 4.18Å; K45-V207 HydrophobicContact CG-CG2 3.77Å; V207-K209 VanDerWaalsContact C-N 3.29Å; V207-K209 WeakPolarHBondContact CG1-O 3.34Å; V207-K209 PolarHBondContact O-N 3.23Å; V207-F211 HydrophobicContact CG1-CD1 4.06Å; V207-F211 HydrophobicContact CG1-CE1 3.97Å
208	E	93.1	Very high	96.7	Very high	203 Å²	203	70.2 Å²	70.2	95%	0.949	35%	0.353	S	S	*	.	S	Bend	trans	-57.6	-42.3	-176.9	-64.8	-177	172.9	0	0	112.4
209	K	96.3	Very high	96.5	Very high	173 Å²	173	72.3 Å²	72.3	75%	0.752	36%	0.362	S	S	*	.	S	Bend	trans	-132.6	119.1	179.1	-171	174.2	-179.2	176.6	0	110.9	V207 F211	V207-K209 VanDerWaalsContact C-N 3.29Å; V207-K209 WeakPolarHBondContact CG1-O 3.34Å; V207-K209 PolarHBondContact O-N 3.23Å; K209-F211 PolarHBondContact O-N 2.83Å
210	P	97.3	Very high	96.4	Very high	59 Å²	59	76.6 Å²	76.6	38%	0.383	38%	0.383	S	S	.	.			trans	-58.4	134.7	176.9	-26.9	35	0	0	0	112.5	K41 V42 T43	K41-P210 HydrophobicContact CB-CB 4.42Å; V42-P210 WeakPolarHBondContact O-CA 3.38Å; V42-P210 WeakPolarHBondContact O-CB 3.33Å; T43-P210 HydrophobicContact CG2-CB 4.4Å; T43-P210 HydrophobicContact CG2-CG 4.48Å
211	F	96.8	Very high	96.3	Very high	81 Å²	81	76.5 Å²	76.5	36%	0.355	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	150.3	-179.2	62	-88.6	0	0	0	110.8	K41 V42 L173 V207 K209 V213	K41-F211 CarbonylContact C-O 3.57Å; K41-F211 VanDerWaalsContact CA-O 3.26Å; K41-F211 WeakPolarHBondContact CA-O 3.5Å; V42-F211 HydrophobicContact CB-CD1 4.39Å; V42-F211 HydrophobicContact CB-CD2 4.36Å; V42-F211 HydrophobicContact CB-CE1 3.96Å; V42-F211 HydrophobicContact CB-CE2 3.93Å; V42-F211 HydrophobicContact CB-CZ 3.72Å; V42-F211 HydrophobicContact CG1-CE1 3.92Å; V42-F211 HydrophobicContact CG1-CE2 4.44Å; V42-F211 HydrophobicContact CG1-CZ 3.75Å; V42-F211 HydrophobicContact CG2-CD2 4.46Å; V42-F211 HydrophobicContact CG2-CE2 3.86Å; V42-F211 HydrophobicContact CG2-CZ 4Å; V42-F211 PolarHBondContact N-O 2.89Å; V42-F211 PolarHBondContact O-N 3.46Å; L173-F211 HydrophobicContact CD1-CE2 4.43Å; L173-F211 HydrophobicContact CD1-CZ 3.91Å; V207-F211 HydrophobicContact CG1-CD1 4.06Å; V207-F211 HydrophobicContact CG1-CE1 3.97Å; K209-F211 PolarHBondContact O-N 2.83Å; F211-V213 HydrophobicContact CD2-CG1 4.3Å; F211-V213 HydrophobicContact CE2-CG1 3.97Å
212	A	96.9	Very high	96.1	Very high	41 Å²	41	79.1 Å²	79.1	34%	0.339	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	145.1	179.6	0	0	0	0	0	111.1	K38 P40 K41	K38-A212 HydrophobicContact CB-CB 4.05Å; K38-A212 HydrophobicContact CG-CB 4.45Å; P40-A212 WeakPolarHBondContact O-CA 3.4Å; K41-A212 HydrophobicContact CG-CB 4.46Å
213	V	96	Very high	95.9	Very high	21 Å²	21	84 Å²	84	13%	0.127	42%	0.42	C	S	.	.			trans	-111.1	155.5	169.2	-64.3	0	0	0	0	110.4	G39 P40 V42 F65 L173 F211	G39-V213 CarbonylContact C-O 3.37Å; G39-V213 WeakPolarHBondContact CA-O 3.36Å; G39-V213 PolarHBondContact N-O 2.86Å; P40-V213 HydrophobicContact CG-CG2 4.08Å; P40-V213 PolarHBondContact O-N 3.34Å; P40-V213 VanDerWaalsContact O-N 3.12Å; V42-V213 HydrophobicContact CG2-CG1 3.78Å; V42-V213 HydrophobicContact CG2-CG2 4.48Å; F65-V213 HydrophobicContact CE1-CG2 3.75Å; F65-V213 HydrophobicContact CZ-CG2 4.01Å; L173-V213 HydrophobicContact CD2-CG1 3.98Å; F211-V213 HydrophobicContact CD2-CG1 4.3Å; F211-V213 HydrophobicContact CE2-CG1 3.97Å
214	A	95.6	Very high	95.7	Very high	41 Å²	41	90 Å²	90	34%	0.339	45%	0.447	S	S	.	.			trans	-70	151	177.7	0	0	0	0	0	112.2	W137 E216	W137-A214 WeakPolarHBondContact CZ2-O 3.45Å; A214-E216 VanDerWaalsContact C-N 3.26Å; A214-E216 HydrophobicContact CB-CG 3.91Å; A214-E216 PolarHBondContact O-N 3.09Å
215	K	95.9	Very high	95.4	Very high	112 Å²	112	90.7 Å²	90.7	49%	0.487	46%	0.455	S	S	.	.			trans	-87.8	64.9	174.1	-70.3	176.2	177.5	169.8	0	110.3	Y133	Y133-K215 HydrophobicContact CD1-CB 3.89Å; Y133-K215 HydrophobicContact CD2-CB 4.22Å; Y133-K215 HydrophobicContact CD2-CG 4.42Å; Y133-K215 HydrophobicContact CE1-CB 3.87Å; Y133-K215 HydrophobicContact CE1-CD 4.11Å; Y133-K215 HydrophobicContact CE1-CG 4.19Å; Y133-K215 HydrophobicContact CE2-CB 4.16Å; Y133-K215 HydrophobicContact CE2-CD 4.37Å; Y133-K215 HydrophobicContact CE2-CG 3.94Å; Y133-K215 HydrophobicContact CG-CB 4.07Å
216	E	91.6	Very high	95.2	Very high	143 Å²	143	93.6 Å²	93.6	67%	0.668	47%	0.469	S	S	*	.			trans	-133.9	0	-178.3	69.7	-167.6	176.8	0	0	111	Y133 G134 W137 K171 A214	Y133-E216 VanDerWaalsContact C-OXT 3.3Å; G134-E216 WeakPolarHBondContact CA-OXT 3.48Å; G134-E216 PolarHBondContact N-OXT 2.89Å; W137-E216 PolarHBondContact NE1-O 3.19Å; K171-E216 PolarHBondContact NZ-O 2.87Å; A214-E216 VanDerWaalsContact C-N 3.26Å; A214-E216 HydrophobicContact CB-CG 3.91Å; A214-E216 PolarHBondContact O-N 3.09Å

Retrieved 216 of 216 residues in 121 ms (Link to these results)

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