A0A096MKC6_RAT Loading...

Lipocalin/cytosolic fatty-acid binding domain-containing protein

AlphaFold DB (A0A096MK41), UniProt , Accession A0A096MKC6, Species RAT (Rattus norvegicus, Rat), Gene Mup4-ps8, Length 181 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.4	Very low	48.7	Very low	232 Å²	232	151 Å²	151	100%	1.143	82%	0.818	S	S	*	*				0	125.9	0	-150.4	169.6	78.2	0	0	107
2	K	42.5	Very low	49.2	Very low	194 Å²	194	153 Å²	153	84%	0.843	83%	0.827	S	S	*	*			trans	79.7	137.6	-166.3	-54.7	173.4	179.6	178.2	0	114.6
3	L	44.5	Very low	49.8	Very low	142 Å²	142	151.3 Å²	151.3	74%	0.743	83%	0.825	S	S	*	*			cis	-176.5	127.9	-19.2	-161.7	71	0	0	0	103.8
4	L	47.7	Very low	50.2	Low	134 Å²	134	152.8 Å²	152.8	70%	0.702	83%	0.83	S	S	*	*			trans	52.3	142.7	141.3	-87.1	74.5	0	0	0	119.9
5	L	51.3	Low	50.3	Low	143 Å²	143	151.8 Å²	151.8	75%	0.749	83%	0.831	S	S	*	*			cis	-160.9	147.3	26.3	-91.8	118.2	0	0	0	108.7
6	L	47.2	Very low	50.2	Low	151 Å²	151	148.1 Å²	148.1	79%	0.791	82%	0.818	S	S	*	*			trans	-71	152.7	160.5	-71	91.5	0	0	0	111.2
7	L	59.3	Low	49.7	Very low	154 Å²	154	143.6 Å²	143.6	81%	0.806	81%	0.813	S	S	*	*			trans	176.5	96.8	143.5	-93.6	140.9	0	0	0	108.8
8	L	45.9	Very low	49.5	Very low	140 Å²	140	144.8 Å²	144.8	73%	0.733	81%	0.81	S	S	*	*				50.4	101.3	99	-95	114.3	0	0	0	116
9	C	56.5	Low	49.2	Very low	135 Å²	135	142.2 Å²	142.2	91%	0.912	81%	0.809	S	S	*	*			trans	-134	79.6	154.9	-75.7	0	0	0	0	109.1
10	L	48.1	Very low	48.8	Very low	168 Å²	168	144.4 Å²	144.4	88%	0.88	81%	0.812	S	S	*	*			trans	-96.4	125.5	155.8	-95.7	103.9	0	0	0	107.2
11	G	53.4	Low	48.5	Very low	68 Å²	68	144 Å²	144	70%	0.701	80%	0.803	S	S	*	*			trans	168.9	99.4	168.7	0	0	0	0	0	112.6
12	L	54.9	Low	48.6	Very low	175 Å²	175	137.2 Å²	137.2	92%	0.916	79%	0.785	S	S	*	*			trans	176	76.8	140.4	-92.8	152.5	0	0	0	108.1
13	T	56.8	Low	48.4	Very low	131 Å²	131	132.6 Å²	132.6	80%	0.804	78%	0.777	S	S	*	*			trans	-83	124.5	160.5	42.6	0	0	0	0	108.4	V15	T13-V15 PolarHBondContact O-N 3.16Å
14	L	54.7	Low	48.6	Very low	172 Å²	172	128.4 Å²	128.4	90%	0.901	75%	0.753	S	S	*	*			trans	-57.4	113.2	177.2	-130	83.3	0	0	0	109.9	C16	L14-C16 PolarHBondContact O-N 3.06Å
15	V	52.3	Low	48.7	Very low	138 Å²	138	128.6 Å²	128.6	84%	0.836	75%	0.75	S	S	*	*			trans	-80.1	96	166.9	178.1	0	0	0	0	107.3	T13 G17	T13-V15 PolarHBondContact O-N 3.16Å; V15-G17 PolarHBondContact O-N 3Å
16	C	48.2	Very low	49	Very low	93 Å²	93	127.8 Å²	127.8	63%	0.628	74%	0.737	S	S	*	*			trans	-77.3	97.5	166.8	-166.3	0	0	0	0	107.7	L14 H18	L14-C16 PolarHBondContact O-N 3.06Å; C16-H18 VanDerWaalsContact C-N 3.27Å; C16-H18 PolarHBondContact O-N 3.06Å; C16-H18 PolarHBondContact SG-ND1 2.77Å; C16-H18 VanDerWaalsContact SG-ND1 3.42Å
17	G	42.7	Very low	49.5	Very low	71 Å²	71	123.6 Å²	123.6	73%	0.732	73%	0.73	S	S	*	*			trans	-70	82.8	172	0	0	0	0	0	110.6	V15 A19	V15-G17 PolarHBondContact O-N 3Å; G17-A19 VanDerWaalsContact C-N 3.35Å; G17-A19 PolarHBondContact O-N 2.86Å; G17-A19 VanDerWaalsContact O-N 3.16Å
18	H	44.9	Very low	50.1	Low	166 Å²	166	122.6 Å²	122.6	77%	0.769	73%	0.726	S	S	*	*			trans	-71.8	98.5	156.3	-85.2	70.4	0	0	0	106.6	C16 E20	C16-H18 VanDerWaalsContact C-N 3.27Å; C16-H18 PolarHBondContact O-N 3.06Å; C16-H18 PolarHBondContact SG-ND1 2.77Å; C16-H18 VanDerWaalsContact SG-ND1 3.42Å; H18-E20 VanDerWaalsContact C-N 3.26Å; H18-E20 PolarHBondContact O-N 3.33Å
19	A	44.3	Very low	52.1	Low	95 Å²	95	117.8 Å²	117.8	79%	0.785	70%	0.701	S	S	*	*			trans	-64	98.6	160.8	0	0	0	0	0	106.4	G17 E21	G17-A19 VanDerWaalsContact C-N 3.35Å; G17-A19 PolarHBondContact O-N 2.86Å; G17-A19 VanDerWaalsContact O-N 3.16Å; A19-E21 PolarHBondContact O-N 2.78Å
20	E	41.2	Very low	53.8	Low	185 Å²	185	114.1 Å²	114.1	86%	0.864	67%	0.672	S	S	*	*			trans	-54	102.1	171.8	-162.5	170.2	-165.4	0	0	107.3	H18 A22	H18-E20 VanDerWaalsContact C-N 3.26Å; H18-E20 PolarHBondContact O-N 3.33Å; E20-A22 VanDerWaalsContact C-N 3.26Å; E20-A22 PolarHBondContact O-N 2.78Å
21	E	43.7	Very low	55.9	Low	136 Å²	136	107.4 Å²	107.4	64%	0.636	64%	0.638	S	S	*	*			trans	-62.8	100.2	163.8	-74.9	-161.9	157.1	0	0	105.3	A19 S23	A19-E21 PolarHBondContact O-N 2.78Å; E21-S23 VanDerWaalsContact C-N 3.3Å; E21-S23 PolarHBondContact O-N 2.8Å
22	A	39.8	Very low	57.8	Low	91 Å²	91	109.6 Å²	109.6	75%	0.752	63%	0.634	S	S	*	*			trans	-47.7	104.5	165.5	0	0	0	0	0	106.9	E20 F24	E20-A22 VanDerWaalsContact C-N 3.26Å; E20-A22 PolarHBondContact O-N 2.78Å; A22-F24 PolarHBondContact O-N 2.89Å
23	S	39.1	Very low	59.8	Low	96 Å²	96	106.6 Å²	106.6	67%	0.671	61%	0.613	S	S	*	*			trans	-62.2	107.4	177	46.1	0	0	0	0	105.9	E21 E25	E21-S23 VanDerWaalsContact C-N 3.3Å; E21-S23 PolarHBondContact O-N 2.8Å; S23-E25 VanDerWaalsContact C-N 3.27Å; S23-E25 PolarHBondContact O-N 2.81Å
24	F	48.5	Very low	61.8	Low	55 Å²	55	100.4 Å²	100.4	24%	0.241	58%	0.575	C	S	.	*			trans	-63.6	93.7	169.9	-176	-98.2	0	0	0	107.2	A22 R26 L29 L112 T114	A22-F24 PolarHBondContact O-N 2.89Å; F24-R26 PolarHBondContact O-N 2.79Å; F24-L29 HydrophobicContact CE2-CD1 4.18Å; F24-L29 HydrophobicContact CZ-CB 4.1Å; F24-L29 HydrophobicContact CZ-CD1 3.82Å; F24-L29 HydrophobicContact CZ-CG 4.46Å; F24-L112 WeakPolarHBondContact CD1-O 3.08Å; F24-T114 HydrophobicContact CE2-CG2 4.07Å
25	E	50	Low	63.8	Low	137 Å²	137	96 Å²	96	64%	0.64	55%	0.552	S	S	*	*			trans	-72.1	120.2	164.1	-72.2	-170	166.4	0	0	107	S23 G27 N28	S23-E25 VanDerWaalsContact C-N 3.27Å; S23-E25 PolarHBondContact O-N 2.81Å; E25-G27 PolarHBondContact O-N 3.49Å; E25-N28 PolarHBondContact O-N 2.93Å; E25-N28 VanDerWaalsContact O-N 3.12Å
26	R	57	Low	66	Low	127 Å²	127	90 Å²	90	48%	0.479	52%	0.519	S	S	.	.	G	3₁₀ helix	trans	-50.3	-24.9	-176	-148.3	-179.2	-146.3	176.8	9.3	113.1	F24 N28 T110	F24-R26 PolarHBondContact O-N 2.79Å; R26-N28 VanDerWaalsContact C-N 3.34Å; R26-N28 PolarHBondContact O-N 3Å; R26-T110 PolarHBondContact NH2-OG1 2.96Å
27	G	58.2	Low	68.4	Low	63 Å²	63	89.9 Å²	89.9	65%	0.649	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-73.6	-8.2	-178.5	0	0	0	0	0	117	E25	E25-G27 PolarHBondContact O-N 3.49Å
28	N	72.6	Confident	71	Confident	132 Å²	132	86.5 Å²	86.5	71%	0.706	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-112.4	24	-179.2	-78.8	-28.1	0	0	0	113.8	E25 R26 D30 Y116	E25-N28 PolarHBondContact O-N 2.93Å; E25-N28 VanDerWaalsContact O-N 3.12Å; R26-N28 VanDerWaalsContact C-N 3.34Å; R26-N28 PolarHBondContact O-N 3Å; N28-D30 PolarHBondContact O-N 3.04Å; N28-Y116 PolarHBondContact O-OH 3.09Å
29	L	86.9	Confident	73.6	Confident	40 Å²	40	79.9 Å²	79.9	21%	0.209	45%	0.446	C	S	.	.			trans	-73.1	112.7	176.1	-178.7	73	0	0	0	110.7	F24 V31 I111 T114 Y116	F24-L29 HydrophobicContact CE2-CD1 4.18Å; F24-L29 HydrophobicContact CZ-CB 4.1Å; F24-L29 HydrophobicContact CZ-CD1 3.82Å; F24-L29 HydrophobicContact CZ-CG 4.46Å; L29-V31 HydrophobicContact CD2-CG2 3.64Å; L29-V31 HydrophobicContact CG-CG2 4Å; L29-V31 PolarHBondContact O-N 3.14Å; L29-I111 HydrophobicContact CD1-CD1 4.4Å; L29-I111 HydrophobicContact CD1-CG2 4.08Å; L29-I111 HydrophobicContact CD2-CB 4.21Å; L29-I111 HydrophobicContact CD2-CD1 3.55Å; L29-I111 HydrophobicContact CD2-CG1 4.49Å; L29-T114 HydrophobicContact CD1-CG2 3.72Å; L29-Y116 HydrophobicContact CD1-CE1 3.94Å
30	D	92.3	Very high	76.2	Confident	57 Å²	57	75.5 Å²	75.5	31%	0.305	41%	0.41	S	S	.	.			trans	-89.5	87.5	171.3	-174.5	-10.7	0	0	0	108.4	N28 D32 K33 Y116	N28-D30 PolarHBondContact O-N 3.04Å; D30-D32 PolarHBondContact O-N 3.3Å; D30-K33 HydrophobicContact CB-CD 4.14Å; D30-K33 HydrophobicContact CB-CG 4.37Å; D30-K33 PolarHBondContact O-N 3.26Å; D30-K33 WeakPolarHBondContact OD2-CD 3.22Å; D30-K33 WeakPolarHBondContact OD2-CE 3.33Å; D30-K33 IonicContact OD2-NZ 2.7Å; D30-K33 PolarHBondContact OD2-NZ 3.33Å; D30-Y116 PolarHBondContact N-OH 3.21Å; D30-Y116 WeakPolarHBondContact O-CE1 3.47Å
31	V	92.3	Very high	78.9	Confident	28 Å²	28	66.7 Å²	66.7	17%	0.17	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-58	-33.9	-175.1	151.5	0	0	0	0	112.4	L29 K33 L34 V66 L71 Y99	L29-V31 HydrophobicContact CD2-CG2 3.64Å; L29-V31 HydrophobicContact CG-CG2 4Å; L29-V31 PolarHBondContact O-N 3.14Å; V31-K33 PolarHBondContact O-N 3.02Å; V31-K33 VanDerWaalsContact O-N 3.16Å; V31-L34 HydrophobicContact CG2-CD1 4.42Å; V31-L34 VanDerWaalsContact O-CB 3.26Å; V31-L34 WeakPolarHBondContact O-CB 3.19Å; V31-L34 PolarHBondContact O-N 3.24Å; V31-V66 HydrophobicContact CG1-CG1 3.86Å; V31-V66 HydrophobicContact CG1-CG2 4.2Å; V31-V66 WeakPolarHBondContact O-CG2 3.44Å; V31-L71 HydrophobicContact CG1-CD2 3.75Å; V31-Y99 WeakPolarHBondContact CG2-OH 3.33Å
32	D	94.2	Very high	81.5	Confident	114 Å²	114	60.5 Å²	60.5	61%	0.61	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-59.4	-32.1	-178.1	-66.8	-10.3	0	0	0	111.6	D30 L34 N35 V66	D30-D32 PolarHBondContact O-N 3.3Å; D32-L34 PolarHBondContact O-N 2.91Å; D32-N35 VanDerWaalsContact O-CB 3.31Å; D32-N35 WeakPolarHBondContact O-CB 3.44Å; D32-N35 PolarHBondContact O-N 2.87Å; D32-V66 WeakPolarHBondContact OD1-CG1 3.33Å
33	K	96.8	Very high	84.4	Confident	112 Å²	112	56.3 Å²	56.3	49%	0.487	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-71.1	-9.7	176.9	-69.2	-178.2	175.3	131.7	0	114.3	D30 V31 N35 Y116 R141	D30-K33 HydrophobicContact CB-CD 4.14Å; D30-K33 HydrophobicContact CB-CG 4.37Å; D30-K33 PolarHBondContact O-N 3.26Å; D30-K33 WeakPolarHBondContact OD2-CD 3.22Å; D30-K33 WeakPolarHBondContact OD2-CE 3.33Å; D30-K33 IonicContact OD2-NZ 2.7Å; D30-K33 PolarHBondContact OD2-NZ 3.33Å; V31-K33 PolarHBondContact O-N 3.02Å; V31-K33 VanDerWaalsContact O-N 3.16Å; K33-N35 VanDerWaalsContact C-N 3.29Å; K33-Y116 HydrophobicContact CB-CD1 3.45Å; K33-Y116 VanDerWaalsContact CB-CD1 3.45Å; K33-Y116 HydrophobicContact CB-CD2 4.33Å; K33-Y116 HydrophobicContact CB-CE1 4.04Å; K33-Y116 HydrophobicContact CB-CG 3.62Å; K33-Y116 HydrophobicContact CD-CD1 4.48Å; K33-Y116 HydrophobicContact CD-CD2 3.96Å; K33-Y116 HydrophobicContact CD-CE2 4.27Å; K33-Y116 HydrophobicContact CD-CG 4.08Å; K33-R141 PolarHBondContact O-NH2 3.2Å
34	L	97.3	Very high	87.2	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-77.9	-17.4	173.2	-62.5	171.7	0	0	0	112.5	V31 D32 W38 I64 I111 T114 Y116 V120	V31-L34 HydrophobicContact CG2-CD1 4.42Å; V31-L34 VanDerWaalsContact O-CB 3.26Å; V31-L34 WeakPolarHBondContact O-CB 3.19Å; V31-L34 PolarHBondContact O-N 3.24Å; D32-L34 PolarHBondContact O-N 2.91Å; L34-W38 HydrophobicContact CD2-CZ2 4.26Å; L34-W38 PolarHBondContact O-NE1 2.7Å; L34-I64 HydrophobicContact CB-CG2 4.48Å; L34-I111 HydrophobicContact CD1-CD1 3.45Å; L34-I111 VanDerWaalsContact CD1-CD1 3.45Å; L34-T114 HydrophobicContact CD2-CG2 4.39Å; L34-Y116 HydrophobicContact CD2-CD1 3.95Å; L34-Y116 HydrophobicContact CD2-CE1 4.34Å; L34-Y116 HydrophobicContact CG-CD1 4.33Å; L34-V120 HydrophobicContact CD2-CB 4.44Å; L34-V120 HydrophobicContact CD2-CG2 4.17Å
35	N	98.1	Very high	89.6	Confident	79 Å²	79	49.1 Å²	49.1	42%	0.422	26%	0.262	S	S	.	.			trans	-54.2	143.1	-179.2	-162.1	56.6	0	0	0	111.3	D32 K33 I64 D65 V66 R141	D32-N35 VanDerWaalsContact O-CB 3.31Å; D32-N35 WeakPolarHBondContact O-CB 3.44Å; D32-N35 PolarHBondContact O-N 2.87Å; K33-N35 VanDerWaalsContact C-N 3.29Å; N35-I64 WeakPolarHBondContact CA-O 3.28Å; N35-I64 PolarHBondContact OD1-O 2.9Å; N35-I64 VanDerWaalsContact OD1-O 3.09Å; N35-D65 WeakPolarHBondContact OD1-CA 3.47Å; N35-V66 HydrophobicContact CB-CB 4.33Å; N35-V66 HydrophobicContact CB-CG2 3.81Å; N35-V66 PolarHBondContact OD1-N 3.27Å; N35-R141 PolarHBondContact O-NH1 3.16Å; N35-R141 PolarHBondContact O-NH2 3.21Å
36	G	98	Very high	91.9	Very high	14 Å²	14	46.1 Å²	46.1	14%	0.144	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	114.6	-169.6	175.4	0	0	0	0	0	115	H63 I64	G36-H63 VanDerWaalsContact C-CE1 3.42Å; G36-H63 VanDerWaalsContact C-ND1 3.34Å; G36-H63 WeakPolarHBondContact CA-CE1 3.49Å; G36-H63 WeakPolarHBondContact O-CA 3.41Å; G36-I64 PolarHBondContact N-O 3.47Å; G36-I64 PolarHBondContact O-N 2.98Å
37	D	98.2	Very high	93.9	Very high	89 Å²	89	42.7 Å²	42.7	48%	0.476	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	142.9	-175.8	-74.4	-20.4	0	0	0	113	Q62 H63 R141 R180	D37-Q62 WeakPolarHBondContact CA-O 3.27Å; D37-H63 IonicContact OD1-CE1 3.74Å; D37-H63 IonicContact OD1-CG 2.68Å; D37-H63 IonicContact OD1-ND1 2.66Å; D37-H63 PolarHBondContact OD1-ND1 3.34Å; D37-R141 VanDerWaalsContact O-CD 3.23Å; D37-R141 WeakPolarHBondContact O-CD 3.19Å; D37-R141 PolarHBondContact O-NH1 2.95Å; D37-R180 IonicContact OD1-NH2 2.92Å
38	W	98.6	Very high	95.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.224	C	C	.	.			trans	-143.2	162.9	176.5	-68.5	95	0	0	0	110.6	L34 M61 Q62 I64 Y116 V120 G140 R141 R180	L34-W38 HydrophobicContact CD2-CZ2 4.26Å; L34-W38 PolarHBondContact O-NE1 2.7Å; W38-M61 HydrophobicContact CB-CB 4.44Å; W38-M61 HydrophobicContact CB-CG 3.51Å; W38-M61 CarbonylContact O-C 3.54Å; W38-Q62 PolarHBondContact N-O 2.77Å; W38-I64 HydrophobicContact CG-CD1 4.18Å; W38-I64 HydrophobicContact CG-CG1 4.42Å; W38-Y116 WeakPolarHBondContact CH2-O 3.5Å; W38-V120 HydrophobicContact CD2-CG1 4.12Å; W38-V120 HydrophobicContact CE3-CG1 3.82Å; W38-V120 HydrophobicContact CH2-CB 4.01Å; W38-V120 HydrophobicContact CH2-CG1 3.82Å; W38-V120 HydrophobicContact CZ2-CB 4.45Å; W38-V120 HydrophobicContact CZ2-CG1 4.08Å; W38-V120 HydrophobicContact CZ3-CB 4.2Å; W38-V120 HydrophobicContact CZ3-CG1 3.69Å; W38-G140 CarbonylContact C-O 3.42Å; W38-G140 WeakPolarHBondContact CA-O 3.23Å; W38-G140 VanDerWaalsContact CE3-C 3.46Å; W38-R141 HydrophobicContact CE3-CG 4.11Å; W38-R141 HydrophobicContact CH2-CG 3.97Å; W38-R141 HydrophobicContact CZ2-CG 4.48Å; W38-R141 HydrophobicContact CZ3-CG 3.75Å; W38-R180 PolarHBondContact O-NH1 2.58Å; W38-R180 PolarHBondContact O-NH2 3.2Å
39	F	98.6	Very high	97	Very high	27 Å²	27	43 Å²	43	12%	0.118	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	134.3	177.9	-61.4	-92.5	0	0	0	110.4	I41 Y139 G140 K143 L177	F39-I41 HydrophobicContact CB-CD1 4.18Å; F39-I41 WeakPolarHBondContact O-CD1 3.21Å; F39-I41 WeakPolarHBondContact O-CG1 3.44Å; F39-I41 PolarHBondContact O-N 3.25Å; F39-Y139 CarbonylContact O-C 3.5Å; F39-Y139 VanDerWaalsContact O-CA 3.25Å; F39-Y139 WeakPolarHBondContact O-CA 3.35Å; F39-G140 PolarHBondContact N-O 2.94Å; F39-G140 PolarHBondContact O-N 3.49Å; F39-K143 HydrophobicContact CD1-CG 4.03Å; F39-K143 HydrophobicContact CE1-CG 3.88Å; F39-K143 HydrophobicContact CZ-CG 4.24Å; F39-L177 HydrophobicContact CD1-CD2 3.88Å; F39-L177 HydrophobicContact CE1-CD2 4.13Å
40	S	98.7	Very high	97.5	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.021	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	124	171.4	-59.1	0	0	0	0	111.5	V59 F60 M61 R175	S40-V59 PolarHBondContact OG-O 3.2Å; S40-F60 WeakPolarHBondContact OG-CA 3.29Å; S40-M61 PolarHBondContact OG-N 2.78Å; S40-R175 VanDerWaalsContact O-CD 3.29Å; S40-R175 WeakPolarHBondContact O-CD 3.48Å; S40-R175 PolarHBondContact O-NH1 3.38Å
41	I	98.7	Very high	97.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	-56.5	-177.2	-46.9	-57.7	0	0	0	110.2	F39 L138 T142 L145 L170 T171	F39-I41 HydrophobicContact CB-CD1 4.18Å; F39-I41 WeakPolarHBondContact O-CD1 3.21Å; F39-I41 WeakPolarHBondContact O-CG1 3.44Å; F39-I41 PolarHBondContact O-N 3.25Å; I41-L138 HydrophobicContact CB-CD2 4.29Å; I41-L138 HydrophobicContact CB-CG 4.12Å; I41-L138 WeakPolarHBondContact CB-O 3.17Å; I41-L138 HydrophobicContact CG1-CG 4.5Å; I41-L138 HydrophobicContact CG2-CD2 4.27Å; I41-L138 PolarHBondContact N-O 3.36Å; I41-T142 WeakPolarHBondContact CD1-O 3.29Å; I41-L145 HydrophobicContact CD1-CG 4.44Å; I41-L145 HydrophobicContact CG1-CD1 3.95Å; I41-L145 HydrophobicContact CG1-CG 4.07Å; I41-L145 HydrophobicContact CG2-CB 4.3Å; I41-L145 HydrophobicContact CG2-CD1 4.49Å; I41-L145 HydrophobicContact CG2-CG 4.42Å; I41-L170 WeakPolarHBondContact O-CB 3.41Å; I41-L170 PolarHBondContact O-N 3.3Å; I41-T171 HydrophobicContact CB-CG2 4.31Å; I41-T171 HydrophobicContact CD1-CG2 4.38Å; I41-T171 HydrophobicContact CG2-CG2 3.65Å
42	V	98.8	Very high	98.1	Very high	7 Å²	7	42.3 Å²	42.3	4%	0.042	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	139.8	-178.7	-172.5	0	0	0	0	108.8	L138 K150 F153 I167 I168	V42-L138 HydrophobicContact CB-CB 4.13Å; V42-L138 HydrophobicContact CB-CD2 4.4Å; V42-L138 HydrophobicContact CG2-CD2 4.09Å; V42-L138 PolarHBondContact N-O 3.37Å; V42-L138 PolarHBondContact O-N 2.87Å; V42-K150 HydrophobicContact CG2-CD 4.17Å; V42-K150 HydrophobicContact CG2-CG 4.03Å; V42-F153 HydrophobicContact CB-CD1 3.92Å; V42-F153 HydrophobicContact CB-CE1 3.93Å; V42-F153 HydrophobicContact CG1-CD1 3.71Å; V42-F153 HydrophobicContact CG1-CE1 3.62Å; V42-I167 HydrophobicContact CG1-CG2 3.31Å; V42-I168 WeakPolarHBondContact CA-O 3.38Å; V42-I168 WeakPolarHBondContact CG1-O 3.27Å
43	V	98.8	Very high	98.2	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.012	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	144.8	172.8	65.3	0	0	0	0	109.5	I51 L135 E137 I168 L170	V43-I51 HydrophobicContact CG1-CB 4.06Å; V43-I51 HydrophobicContact CG1-CD1 4.26Å; V43-I51 HydrophobicContact CG1-CG2 4.38Å; V43-I51 HydrophobicContact CG2-CB 4.19Å; V43-I51 HydrophobicContact CG2-CG2 3.58Å; V43-L135 HydrophobicContact CG2-CD1 3.69Å; V43-E137 HydrophobicContact CG2-CG 4.23Å; V43-I168 HydrophobicContact CG1-CB 4.02Å; V43-I168 PolarHBondContact N-O 3.42Å; V43-I168 PolarHBondContact O-N 3.12Å; V43-L170 HydrophobicContact CB-CD1 4Å; V43-L170 HydrophobicContact CG1-CD1 3.78Å; V43-L170 HydrophobicContact CG1-CD2 3.89Å; V43-L170 HydrophobicContact CG1-CG 3.87Å
44	A	98.9	Very high	98.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	142	178.6	0	0	0	0	0	111	L135 M136 F153 C157 I162 N166 I167	A44-L135 CarbonylContact O-C 3.22Å; A44-L135 WeakPolarHBondContact O-CA 3.37Å; A44-M136 HydrophobicContact CB-CB 4.45Å; A44-M136 PolarHBondContact N-O 3.24Å; A44-M136 PolarHBondContact O-N 2.87Å; A44-F153 HydrophobicContact CB-CE1 4.22Å; A44-F153 HydrophobicContact CB-CZ 4.49Å; A44-C157 HydrophobicContact CB-CB 4.44Å; A44-I162 HydrophobicContact CB-CD1 4.44Å; A44-I162 HydrophobicContact CB-CG2 4.03Å; A44-N166 VanDerWaalsContact CA-O 3.28Å; A44-N166 WeakPolarHBondContact CA-O 3.28Å; A44-I167 HydrophobicContact CB-CB 4.38Å; A44-I167 HydrophobicContact CB-CG1 3.86Å; A44-I167 HydrophobicContact CB-CG2 4.45Å
45	S	98.8	Very high	98.2	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	142	176.5	-178.8	0	0	0	0	111.9	K47 Q134 N166	S45-K47 PolarHBondContact O-N 3.08Å; S45-K47 PolarHBondContact OG-N 2.98Å; S45-Q134 WeakPolarHBondContact CA-O 3.37Å; S45-Q134 VanDerWaalsContact CB-O 3.32Å; S45-Q134 WeakPolarHBondContact CB-O 3.46Å; S45-Q134 PolarHBondContact OG-O 3.49Å; S45-N166 PolarHBondContact N-O 3.34Å; S45-N166 VanDerWaalsContact O-CB 3.27Å; S45-N166 WeakPolarHBondContact O-CB 3.49Å
46	N	98.4	Very high	98.2	Very high	75 Å²	75	41.5 Å²	41.5	40%	0.401	21%	0.206	S	C	.	.	S	Bend	trans	-71.3	-5.6	169.9	69.2	-12.8	0	0	0	113.3	F133 Q134 I162	N46-F133 WeakPolarHBondContact OD1-CA 3.38Å; N46-F133 WeakPolarHBondContact OD1-CB 3.38Å; N46-Q134 PolarHBondContact N-O 2.94Å; N46-Q134 PolarHBondContact OD1-N 2.95Å; N46-Q134 PolarHBondContact OD1-O 3.08Å; N46-I162 HydrophobicContact CB-CG1 4.38Å
47	K	98.2	Very high	98.2	Very high	54 Å²	54	41.2 Å²	41.2	24%	0.235	20%	0.201	C	C	.	.	S	Bend	trans	-118.6	79	172	-169.4	162.9	-178.4	161.6	0	109.2	S45 E49 K50 E131 F133	S45-K47 PolarHBondContact O-N 3.08Å; S45-K47 PolarHBondContact OG-N 2.98Å; K47-E49 VanDerWaalsContact C-N 3.26Å; K47-E49 WeakPolarHBondContact CE-OE1 3.46Å; K47-E49 HydrophobicContact CG-CG 3.81Å; K47-E49 IonicContact NZ-OE1 3.57Å; K47-E49 PolarHBondContact O-N 3.25Å; K47-E49 VanDerWaalsContact O-N 3.09Å; K47-K50 HydrophobicContact CB-CG 4.22Å; K47-K50 HydrophobicContact CD-CG 4.32Å; K47-K50 HydrophobicContact CG-CG 4.01Å; K47-K50 WeakPolarHBondContact O-CB 3.36Å; K47-K50 PolarHBondContact O-N 2.99Å; K47-E131 IonicContact NZ-OE2 2.77Å; K47-E131 PolarHBondContact NZ-OE2 3.24Å; K47-F133 HydrophobicContact CB-CB 3.62Å; K47-F133 HydrophobicContact CB-CD2 4.42Å; K47-F133 HydrophobicContact CB-CG 4.01Å; K47-F133 HydrophobicContact CD-CB 4.11Å; K47-F133 HydrophobicContact CD-CD1 4.12Å; K47-F133 HydrophobicContact CD-CG 4.31Å
48	R	98.1	Very high	98.2	Very high	89 Å²	89	38.5 Å²	38.5	34%	0.336	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-46.1	-43.3	-169.9	-166.8	-173	-177.5	77.3	5.1	114.9	K50 I51 E52 D165 N166	R48-K50 PolarHBondContact O-N 2.96Å; R48-I51 WeakPolarHBondContact O-CG1 3.37Å; R48-I51 PolarHBondContact O-N 2.99Å; R48-E52 WeakPolarHBondContact CD-OE1 3.42Å; R48-E52 HydrophobicContact CG-CG 4.07Å; R48-E52 IonicContact CZ-OE1 2.67Å; R48-E52 IonicContact NE-OE1 3.29Å; R48-E52 PolarHBondContact NE-OE1 2.73Å; R48-E52 PolarHBondContact O-N 3.21Å; R48-D165 PolarHBondContact NH1-O 2.9Å; R48-N166 WeakPolarHBondContact CB-OD1 3.49Å; R48-N166 WeakPolarHBondContact CG-OD1 3.3Å; R48-N166 PolarHBondContact NH1-OD1 3.16Å
49	E	97.8	Very high	98.2	Very high	114 Å²	114	39 Å²	39	53%	0.533	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-52.2	-27.3	179.2	60.7	178.7	-148.9	0	0	113.6	K47 I51 G55	K47-E49 VanDerWaalsContact C-N 3.26Å; K47-E49 WeakPolarHBondContact CE-OE1 3.46Å; K47-E49 HydrophobicContact CG-CG 3.81Å; K47-E49 IonicContact NZ-OE1 3.57Å; K47-E49 PolarHBondContact O-N 3.25Å; K47-E49 VanDerWaalsContact O-N 3.09Å; E49-I51 VanDerWaalsContact C-N 3.27Å; E49-I51 PolarHBondContact O-N 2.77Å; E49-G55 WeakPolarHBondContact O-CA 3.31Å
50	K	98.3	Very high	98.2	Very high	31 Å²	31	38.1 Å²	38.1	14%	0.135	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-69.8	-22.8	179.3	-66.3	-69	-179.8	179.4	0	113.3	K47 R48 G55 S56 M57 R58 D104 F133	K47-K50 HydrophobicContact CB-CG 4.22Å; K47-K50 HydrophobicContact CD-CG 4.32Å; K47-K50 HydrophobicContact CG-CG 4.01Å; K47-K50 WeakPolarHBondContact O-CB 3.36Å; K47-K50 PolarHBondContact O-N 2.99Å; R48-K50 PolarHBondContact O-N 2.96Å; K50-G55 CarbonylContact O-C 3.5Å; K50-G55 WeakPolarHBondContact O-CA 3.26Å; K50-S56 WeakPolarHBondContact CD-OG 3.5Å; K50-S56 PolarHBondContact O-N 3.04Å; K50-M57 HydrophobicContact CB-CB 4.11Å; K50-M57 HydrophobicContact CB-CG 4.03Å; K50-M57 CarbonylContact O-C 3.59Å; K50-M57 VanDerWaalsContact O-CA 3.31Å; K50-M57 WeakPolarHBondContact O-CA 3.28Å; K50-M57 WeakPolarHBondContact O-CB 3.2Å; K50-M57 PolarHBondContact O-N 2.96Å; K50-R58 PolarHBondContact O-N 3.32Å; K50-D104 IonicContact NZ-OD1 2.74Å; K50-D104 IonicContact NZ-OD2 3.81Å; K50-D104 PolarHBondContact NZ-OD2 2.66Å; K50-F133 HydrophobicContact CB-CE2 4.28Å; K50-F133 HydrophobicContact CB-CZ 4.32Å; K50-F133 HydrophobicContact CD-CE1 3.95Å; K50-F133 HydrophobicContact CD-CZ 3.91Å; K50-F133 HydrophobicContact CG-CD1 4.36Å; K50-F133 HydrophobicContact CG-CD2 4.42Å; K50-F133 HydrophobicContact CG-CE1 3.95Å; K50-F133 HydrophobicContact CG-CE2 4.04Å; K50-F133 HydrophobicContact CG-CZ 3.77Å
51	I	98.5	Very high	98.1	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-0	-174.5	62.3	164.6	0	0	0	112.7	V43 R48 E49 M57 R58 L135 I168	V43-I51 HydrophobicContact CG1-CB 4.06Å; V43-I51 HydrophobicContact CG1-CD1 4.26Å; V43-I51 HydrophobicContact CG1-CG2 4.38Å; V43-I51 HydrophobicContact CG2-CB 4.19Å; V43-I51 HydrophobicContact CG2-CG2 3.58Å; R48-I51 WeakPolarHBondContact O-CG1 3.37Å; R48-I51 PolarHBondContact O-N 2.99Å; E49-I51 VanDerWaalsContact C-N 3.27Å; E49-I51 PolarHBondContact O-N 2.77Å; I51-M57 HydrophobicContact CG2-CB 4.14Å; I51-R58 WeakPolarHBondContact O-CD 3.41Å; I51-R58 PolarHBondContact O-NH1 2.91Å; I51-L135 HydrophobicContact CG2-CD1 3.5Å; I51-I168 HydrophobicContact CB-CD1 4.35Å; I51-I168 HydrophobicContact CD1-CD1 3.73Å; I51-I168 HydrophobicContact CD1-CG1 3.96Å; I51-I168 HydrophobicContact CG1-CD1 3.78Å; I51-I168 WeakPolarHBondContact O-CD1 3.42Å
52	E	97.8	Very high	98.1	Very high	79 Å²	79	38.6 Å²	38.6	37%	0.369	19%	0.185	S	C	.	.	S	Bend	trans	-77.3	176.1	171.8	-74.1	-179	151.2	0	0	111.8	R48 N54 G55 R58	R48-E52 WeakPolarHBondContact CD-OE1 3.42Å; R48-E52 HydrophobicContact CG-CG 4.07Å; R48-E52 IonicContact CZ-OE1 2.67Å; R48-E52 IonicContact NE-OE1 3.29Å; R48-E52 PolarHBondContact NE-OE1 2.73Å; R48-E52 PolarHBondContact O-N 3.21Å; E52-N54 PolarHBondContact O-N 2.87Å; E52-G55 WeakPolarHBondContact O-CA 3.37Å; E52-G55 PolarHBondContact O-N 2.92Å; E52-R58 WeakPolarHBondContact O-CD 3.48Å
53	E	96.7	Very high	98.1	Very high	157 Å²	157	40.6 Å²	40.6	73%	0.734	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	133.7	178.2	-65.8	-171.8	171.1	0	0	110.9	G55	E53-G55 PolarHBondContact O-N 2.79Å
54	N	96.1	Very high	98.1	Very high	98 Å²	98	40.6 Å²	40.6	52%	0.524	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	7	-170.9	-46.9	-63.6	0	0	0	115.5	E52 N80	E52-N54 PolarHBondContact O-N 2.87Å; N54-N80 PolarHBondContact OD1-N 2.99Å
55	G	97.8	Very high	98	Very high	7 Å²	7	42.8 Å²	42.8	7%	0.072	21%	0.206	C	C	.	.			trans	-68	135.9	170.4	0	0	0	0	0	111.4	E49 K50 E52 E53 M57 R58	E49-G55 WeakPolarHBondContact O-CA 3.31Å; K50-G55 CarbonylContact O-C 3.5Å; K50-G55 WeakPolarHBondContact O-CA 3.26Å; E52-G55 WeakPolarHBondContact O-CA 3.37Å; E52-G55 PolarHBondContact O-N 2.92Å; E53-G55 PolarHBondContact O-N 2.79Å; G55-M57 VanDerWaalsContact C-N 3.25Å; G55-M57 PolarHBondContact O-N 2.76Å; G55-R58 WeakPolarHBondContact O-CB 3.12Å; G55-R58 PolarHBondContact O-N 2.98Å
56	S	97.7	Very high	97.9	Very high	26 Å²	26	44.5 Å²	44.5	18%	0.182	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-33.4	-176.3	49.1	0	0	0	0	113.5	K50 R58 Y103 D104	K50-S56 WeakPolarHBondContact CD-OG 3.5Å; K50-S56 PolarHBondContact O-N 3.04Å; S56-R58 VanDerWaalsContact C-N 3.33Å; S56-Y103 VanDerWaalsContact O-CE1 3.29Å; S56-Y103 WeakPolarHBondContact O-CE1 3.42Å; S56-Y103 PolarHBondContact O-OH 3.11Å; S56-Y103 VanDerWaalsContact O-OH 3.06Å; S56-D104 WeakPolarHBondContact CB-OD2 3.17Å; S56-D104 PolarHBondContact OG-OD2 2.79Å
57	M	98.2	Very high	97.8	Very high	7 Å²	7	44.4 Å²	44.4	3%	0.034	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	6.6	179.6	-56.8	-57.2	-175.6	0	0	112.8	K50 I51 G55 V59 Y103 D104 N107 N126 F133 L135	K50-M57 HydrophobicContact CB-CB 4.11Å; K50-M57 HydrophobicContact CB-CG 4.03Å; K50-M57 CarbonylContact O-C 3.59Å; K50-M57 VanDerWaalsContact O-CA 3.31Å; K50-M57 WeakPolarHBondContact O-CA 3.28Å; K50-M57 WeakPolarHBondContact O-CB 3.2Å; K50-M57 PolarHBondContact O-N 2.96Å; I51-M57 HydrophobicContact CG2-CB 4.14Å; G55-M57 VanDerWaalsContact C-N 3.25Å; G55-M57 PolarHBondContact O-N 2.76Å; M57-V59 PolarHBondContact O-N 3.08Å; M57-Y103 HydrophobicContact CE-CD1 4.29Å; M57-Y103 HydrophobicContact SD-CD1 4.04Å; M57-Y103 HydrophobicContact SD-CE1 4.08Å; M57-D104 HydrophobicContact CE-CB 4.1Å; M57-N107 WeakPolarHBondContact CE-OD1 3.4Å; M57-N126 HydrophobicContact CE-CB 4.45Å; M57-N126 WeakPolarHBondContact CE-ND2 3.47Å; M57-F133 HydrophobicContact CE-CE1 4.49Å; M57-F133 HydrophobicContact CE-CE2 4.33Å; M57-F133 HydrophobicContact CE-CZ 3.58Å; M57-F133 HydrophobicContact CG-CE2 3.9Å; M57-F133 HydrophobicContact CG-CZ 3.72Å; M57-F133 HydrophobicContact SD-CZ 4.45Å; M57-L135 HydrophobicContact CB-CD1 3.94Å; M57-L135 HydrophobicContact CB-CD2 3.91Å; M57-L135 HydrophobicContact CG-CD2 4.15Å; M57-L135 HydrophobicContact SD-CD2 4.24Å
58	R	98.4	Very high	97.4	Very high	33 Å²	33	50.1 Å²	50.1	13%	0.125	24%	0.243	C	C	.	.			trans	-84.3	71.1	171.4	-165.5	179	-172.8	124.3	-12.9	110.4	K50 I51 E52 G55 S56 F60	K50-R58 PolarHBondContact O-N 3.32Å; I51-R58 WeakPolarHBondContact O-CD 3.41Å; I51-R58 PolarHBondContact O-NH1 2.91Å; E52-R58 WeakPolarHBondContact O-CD 3.48Å; G55-R58 WeakPolarHBondContact O-CB 3.12Å; G55-R58 PolarHBondContact O-N 2.98Å; S56-R58 VanDerWaalsContact C-N 3.33Å; R58-F60 HydrophobicContact CG-CE1 4.38Å; R58-F60 HydrophobicContact CG-CZ 4.26Å
59	V	98.3	Very high	96.9	Very high	10 Å²	10	52 Å²	52	6%	0.061	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	150.5	-178.8	-63.9	0	0	0	0	112.3	S40 M57 F75 R76 I77 L86	S40-V59 PolarHBondContact OG-O 3.2Å; M57-V59 PolarHBondContact O-N 3.08Å; V59-F75 HydrophobicContact CB-CB 4.26Å; V59-F75 HydrophobicContact CB-CD1 3.83Å; V59-F75 HydrophobicContact CB-CE1 4.37Å; V59-F75 HydrophobicContact CB-CG 4.16Å; V59-F75 HydrophobicContact CG2-CD1 3.7Å; V59-F75 HydrophobicContact CG2-CE1 3.73Å; V59-F75 HydrophobicContact CG2-CG 4.3Å; V59-F75 HydrophobicContact CG2-CZ 4.33Å; V59-R76 CarbonylContact C-O 3.4Å; V59-R76 WeakPolarHBondContact CA-O 3.39Å; V59-I77 HydrophobicContact CG1-CB 4.46Å; V59-I77 HydrophobicContact CG1-CD1 4.43Å; V59-L86 HydrophobicContact CG1-CD2 4.09Å
60	F	98.2	Very high	96.8	Very high	8 Å²	8	47.3 Å²	47.3	4%	0.035	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	105.9	-177.6	-46.6	-63.2	0	0	0	109.5	S40 R58 Q62 F75 R76 K78 L170 D174 R175 C176	S40-F60 WeakPolarHBondContact OG-CA 3.29Å; R58-F60 HydrophobicContact CG-CE1 4.38Å; R58-F60 HydrophobicContact CG-CZ 4.26Å; F60-Q62 PolarHBondContact O-N 2.82Å; F60-F75 CarbonylContact O-C 3.58Å; F60-F75 WeakPolarHBondContact O-CA 3.48Å; F60-R76 HydrophobicContact CB-CB 4.32Å; F60-R76 HydrophobicContact CD2-CB 4.28Å; F60-R76 WeakPolarHBondContact CD2-O 3.49Å; F60-R76 PolarHBondContact N-O 2.99Å; F60-R76 PolarHBondContact O-N 3.26Å; F60-K78 HydrophobicContact CE2-CB 3.99Å; F60-L170 HydrophobicContact CE1-CD2 4.37Å; F60-D174 WeakPolarHBondContact CZ-O 3.22Å; F60-R175 HydrophobicContact CB-CB 4.36Å; F60-R175 HydrophobicContact CD1-CB 3.7Å; F60-R175 HydrophobicContact CD1-CG 3.7Å; F60-R175 HydrophobicContact CE1-CB 4.12Å; F60-R175 HydrophobicContact CE1-CG 3.84Å; F60-R175 HydrophobicContact CG-CB 3.98Å; F60-R175 HydrophobicContact CG-CG 4.47Å; F60-C176 HydrophobicContact CD2-CB 4.26Å
61	M	98.4	Very high	96.8	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	135.1	-179.5	-176.2	59.4	75.7	0	0	110.7	W38 S40 I64 F73 F75 Y139 R180	W38-M61 HydrophobicContact CB-CB 4.44Å; W38-M61 HydrophobicContact CB-CG 3.51Å; W38-M61 CarbonylContact O-C 3.54Å; S40-M61 PolarHBondContact OG-N 2.78Å; M61-I64 HydrophobicContact CE-CD1 4.37Å; M61-I64 HydrophobicContact CE-CG1 4.07Å; M61-I64 HydrophobicContact SD-CG1 3.95Å; M61-F73 HydrophobicContact CE-CB 4.37Å; M61-F73 HydrophobicContact CE-CD1 3.5Å; M61-F73 VanDerWaalsContact CE-CD1 3.5Å; M61-F73 HydrophobicContact CE-CE1 4.23Å; M61-F73 HydrophobicContact CE-CG 4.36Å; M61-F73 HydrophobicContact SD-CD1 4.35Å; M61-F75 HydrophobicContact CB-CD1 4.27Å; M61-F75 HydrophobicContact CB-CE1 4.16Å; M61-F75 HydrophobicContact CE-CD1 4.09Å; M61-F75 HydrophobicContact CE-CE1 3.2Å; M61-F75 HydrophobicContact CE-CE2 4.27Å; M61-F75 HydrophobicContact CE-CZ 3.32Å; M61-F75 HydrophobicContact SD-CD1 4.14Å; M61-F75 HydrophobicContact SD-CE1 3.84Å; M61-F75 HydrophobicContact SD-CZ 4.24Å; M61-Y139 HydrophobicContact CB-CD1 4.21Å; M61-Y139 HydrophobicContact CB-CD2 4.34Å; M61-Y139 HydrophobicContact CB-CE1 4.14Å; M61-Y139 HydrophobicContact CB-CE2 4.32Å; M61-Y139 HydrophobicContact CB-CG 4.29Å; M61-Y139 HydrophobicContact CE-CD2 3.81Å; M61-Y139 HydrophobicContact CE-CE2 3.16Å; M61-Y139 HydrophobicContact CG-CD2 4.18Å; M61-Y139 HydrophobicContact CG-CE2 4.3Å; M61-Y139 HydrophobicContact CG-CG 4.47Å; M61-R180 PolarHBondContact O-NH1 2.67Å
62	Q	98.1	Very high	96.8	Very high	12 Å²	12	45.9 Å²	45.9	6%	0.056	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	-58	168.9	-60.4	-166.3	-99.1	0	0	111.7	D37 W38 F60 K74 R76 R180	D37-Q62 WeakPolarHBondContact CA-O 3.27Å; W38-Q62 PolarHBondContact N-O 2.77Å; F60-Q62 PolarHBondContact O-N 2.82Å; Q62-K74 WeakPolarHBondContact CA-O 3.37Å; Q62-K74 HydrophobicContact CB-CB 4.29Å; Q62-K74 HydrophobicContact CB-CD 4.5Å; Q62-K74 HydrophobicContact CB-CG 4.15Å; Q62-K74 VanDerWaalsContact CB-O 3.28Å; Q62-K74 WeakPolarHBondContact CB-O 3.29Å; Q62-K74 PolarHBondContact N-O 2.82Å; Q62-R76 HydrophobicContact CG-CG 4.15Å; Q62-R76 VanDerWaalsContact NE2-NE 3.17Å; Q62-R180 PolarHBondContact O-NH2 3.48Å
63	H	98.2	Very high	96.8	Very high	49 Å²	49	42.6 Å²	42.6	23%	0.227	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	145.2	-169.6	-157.4	91.9	0	0	0	109.7	G36 D37 D65 K74	G36-H63 VanDerWaalsContact C-CE1 3.42Å; G36-H63 VanDerWaalsContact C-ND1 3.34Å; G36-H63 WeakPolarHBondContact CA-CE1 3.49Å; G36-H63 WeakPolarHBondContact O-CA 3.41Å; D37-H63 IonicContact OD1-CE1 3.74Å; D37-H63 IonicContact OD1-CG 2.68Å; D37-H63 IonicContact OD1-ND1 2.66Å; D37-H63 PolarHBondContact OD1-ND1 3.34Å; H63-D65 IonicContact CD2-OD1 3.11Å; H63-D65 PolarHBondContact CD2-OD1 2.88Å; H63-D65 IonicContact NE2-OD1 2.67Å; H63-K74 HydrophobicContact CB-CB 4.08Å; H63-K74 PolarHBondContact N-O 2.92Å; H63-K74 PolarHBondContact O-N 2.97Å
64	I	98.6	Very high	96.9	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	119.7	167.1	-58	179.1	0	0	0	106.6	L34 N35 G36 W38 M61 L71 G72 F73 F122	L34-I64 HydrophobicContact CB-CG2 4.48Å; N35-I64 WeakPolarHBondContact CA-O 3.28Å; N35-I64 PolarHBondContact OD1-O 2.9Å; N35-I64 VanDerWaalsContact OD1-O 3.09Å; G36-I64 PolarHBondContact N-O 3.47Å; G36-I64 PolarHBondContact O-N 2.98Å; W38-I64 HydrophobicContact CG-CD1 4.18Å; W38-I64 HydrophobicContact CG-CG1 4.42Å; M61-I64 HydrophobicContact CE-CD1 4.37Å; M61-I64 HydrophobicContact CE-CG1 4.07Å; M61-I64 HydrophobicContact SD-CG1 3.95Å; I64-L71 HydrophobicContact CG2-CD2 4.47Å; I64-G72 CarbonylContact C-O 3.5Å; I64-G72 WeakPolarHBondContact CA-O 3.2Å; I64-F73 HydrophobicContact CD1-CD1 4.35Å; I64-F73 HydrophobicContact CD1-CE1 4.07Å; I64-F73 HydrophobicContact CG1-CD1 3.89Å; I64-F73 HydrophobicContact CG1-CE1 4.07Å; I64-F73 HydrophobicContact CG2-CD1 4.35Å; I64-F73 HydrophobicContact CG2-CE1 4.14Å; I64-F122 HydrophobicContact CD1-CZ 4.33Å
65	D	98.2	Very high	97	Very high	46 Å²	46	34.2 Å²	34.2	25%	0.246	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	124.8	169.8	-61	-61.2	0	0	0	108.7	N35 H63 L67 G72 Y87	N35-D65 WeakPolarHBondContact OD1-CA 3.47Å; H63-D65 IonicContact CD2-OD1 3.11Å; H63-D65 PolarHBondContact CD2-OD1 2.88Å; H63-D65 IonicContact NE2-OD1 2.67Å; D65-L67 HydrophobicContact CB-CD2 4.01Å; D65-L67 HydrophobicContact CB-CG 4.3Å; D65-G72 PolarHBondContact N-O 2.95Å; D65-G72 PolarHBondContact O-N 3.26Å; D65-Y87 VanDerWaalsContact OD2-CE2 3.23Å; D65-Y87 WeakPolarHBondContact OD2-CE2 3.31Å; D65-Y87 PolarHBondContact OD2-OH 2.94Å
66	V	97.1	Very high	97	Very high	36 Å²	36	34.6 Å²	34.6	22%	0.218	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	117.6	167.5	-179.8	0	0	0	0	108.5	V31 D32 N35 L71	V31-V66 HydrophobicContact CG1-CG1 3.86Å; V31-V66 HydrophobicContact CG1-CG2 4.2Å; V31-V66 WeakPolarHBondContact O-CG2 3.44Å; D32-V66 WeakPolarHBondContact OD1-CG1 3.33Å; N35-V66 HydrophobicContact CB-CB 4.33Å; N35-V66 HydrophobicContact CB-CG2 3.81Å; N35-V66 PolarHBondContact OD1-N 3.27Å; V66-L71 HydrophobicContact CG2-CD2 4.06Å
67	L	95.5	Very high	97	Very high	74 Å²	74	34 Å²	34	39%	0.387	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	175.2	-176.6	-54.7	176.7	0	0	0	110.2	D65 N69 S70 V89	D65-L67 HydrophobicContact CB-CD2 4.01Å; D65-L67 HydrophobicContact CB-CG 4.3Å; L67-N69 PolarHBondContact O-N 2.88Å; L67-S70 WeakPolarHBondContact CB-O 3.29Å; L67-S70 WeakPolarHBondContact CB-OG 3.43Å; L67-S70 PolarHBondContact N-O 2.97Å; L67-V89 HydrophobicContact CD1-CG1 4.26Å
68	E	90.1	Very high	96.8	Very high	174 Å²	174	36.7 Å²	36.7	81%	0.813	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	111.8	171.8	-170.5	176.8	-175.4	0	0	109.8	S70	E68-S70 PolarHBondContact O-N 3.06Å; E68-S70 PolarHBondContact O-OG 3.4Å
69	N	87.1	Confident	96.6	Very high	128 Å²	128	38.6 Å²	38.6	68%	0.684	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	18	179.4	-58.7	-55.1	0	0	0	116	L67	L67-N69 PolarHBondContact O-N 2.88Å
70	S	96	Very high	96.3	Very high	15 Å²	15	44.9 Å²	44.9	11%	0.105	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	164.5	-177.9	50.2	0	0	0	0	111.8	L67 E68 A90	L67-S70 WeakPolarHBondContact CB-O 3.29Å; L67-S70 WeakPolarHBondContact CB-OG 3.43Å; L67-S70 PolarHBondContact N-O 2.97Å; E68-S70 PolarHBondContact O-N 3.06Å; E68-S70 PolarHBondContact O-OG 3.4Å; S70-A90 CarbonylContact C-O 3.52Å; S70-A90 VanDerWaalsContact CA-O 3.22Å; S70-A90 WeakPolarHBondContact CA-O 3.42Å; S70-A90 WeakPolarHBondContact CB-O 3.23Å
71	L	97.9	Very high	96	Very high	1 Å²	1	47 Å²	47	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	122.8	174.3	-65.8	178.1	0	0	0	109.3	V31 I64 V66 F73 V89 A90 Y99	V31-L71 HydrophobicContact CG1-CD2 3.75Å; I64-L71 HydrophobicContact CG2-CD2 4.47Å; V66-L71 HydrophobicContact CG2-CD2 4.06Å; L71-F73 HydrophobicContact CB-CD2 4.36Å; L71-F73 HydrophobicContact CB-CE2 3.53Å; L71-F73 HydrophobicContact CB-CZ 3.66Å; L71-F73 HydrophobicContact CD1-CE2 4.47Å; L71-F73 HydrophobicContact CD1-CZ 3.88Å; L71-F73 HydrophobicContact CG-CZ 4.43Å; L71-V89 CarbonylContact O-C 3.53Å; L71-V89 WeakPolarHBondContact O-CA 3.17Å; L71-A90 PolarHBondContact N-O 3.03Å; L71-A90 PolarHBondContact O-N 2.87Å; L71-Y99 HydrophobicContact CD1-CD1 4.13Å; L71-Y99 HydrophobicContact CD1-CD2 4.35Å; L71-Y99 HydrophobicContact CD1-CE1 3.77Å; L71-Y99 HydrophobicContact CD1-CE2 4Å; L71-Y99 HydrophobicContact CD1-CG 4.42Å; L71-Y99 HydrophobicContact CG-CD1 4.26Å; L71-Y99 HydrophobicContact CG-CE1 3.76Å
72	G	98.3	Very high	95.9	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	135.7	168.5	0	0	0	0	0	110.3	I64 D65 L88	I64-G72 CarbonylContact C-O 3.5Å; I64-G72 WeakPolarHBondContact CA-O 3.2Å; D65-G72 PolarHBondContact N-O 2.95Å; D65-G72 PolarHBondContact O-N 3.26Å; G72-L88 CarbonylContact C-O 3.55Å; G72-L88 WeakPolarHBondContact CA-O 3.47Å
73	F	98.7	Very high	95.8	Very high	10 Å²	10	54.3 Å²	54.3	4%	0.044	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	114.5	177.6	-59.6	-85.9	0	0	0	109.3	M61 I64 L71 F75 Y87 L88 A90 F109 F122	M61-F73 HydrophobicContact CE-CB 4.37Å; M61-F73 HydrophobicContact CE-CD1 3.5Å; M61-F73 VanDerWaalsContact CE-CD1 3.5Å; M61-F73 HydrophobicContact CE-CE1 4.23Å; M61-F73 HydrophobicContact CE-CG 4.36Å; M61-F73 HydrophobicContact SD-CD1 4.35Å; I64-F73 HydrophobicContact CD1-CD1 4.35Å; I64-F73 HydrophobicContact CD1-CE1 4.07Å; I64-F73 HydrophobicContact CG1-CD1 3.89Å; I64-F73 HydrophobicContact CG1-CE1 4.07Å; I64-F73 HydrophobicContact CG2-CD1 4.35Å; I64-F73 HydrophobicContact CG2-CE1 4.14Å; L71-F73 HydrophobicContact CB-CD2 4.36Å; L71-F73 HydrophobicContact CB-CE2 3.53Å; L71-F73 HydrophobicContact CB-CZ 3.66Å; L71-F73 HydrophobicContact CD1-CE2 4.47Å; L71-F73 HydrophobicContact CD1-CZ 3.88Å; L71-F73 HydrophobicContact CG-CZ 4.43Å; F73-F75 HydrophobicContact CB-CD2 3.79Å; F73-F75 HydrophobicContact CB-CE2 3.22Å; F73-F75 HydrophobicContact CB-CZ 3.85Å; F73-F75 HydrophobicContact CD1-CZ 4.38Å; F73-F75 HydrophobicContact CG-CE2 4Å; F73-F75 HydrophobicContact CG-CZ 4.29Å; F73-Y87 WeakPolarHBondContact O-CA 3.28Å; F73-L88 PolarHBondContact N-O 2.91Å; F73-L88 PolarHBondContact O-N 2.82Å; F73-A90 HydrophobicContact CD2-CB 4.4Å; F73-A90 HydrophobicContact CE2-CB 3.75Å; F73-F109 HydrophobicContact CE2-CE1 4.32Å; F73-F109 AromaticContact CE2-CZ 3.69Å; F73-F109 HydrophobicContact CE2-CZ 3.69Å; F73-F109 HydrophobicContact CZ-CE2 4.08Å; F73-F109 AromaticContact CZ-CZ 3.65Å; F73-F109 HydrophobicContact CZ-CZ 3.65Å; F73-F122 HydrophobicContact CE1-CZ 4.23Å
74	K	98.3	Very high	95.7	Very high	66 Å²	66	57.8 Å²	57.8	29%	0.287	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	116.1	169.8	-169.9	173.6	-179.2	171.7	0	108.9	Q62 H63 E85 Y87	Q62-K74 WeakPolarHBondContact CA-O 3.37Å; Q62-K74 HydrophobicContact CB-CB 4.29Å; Q62-K74 HydrophobicContact CB-CD 4.5Å; Q62-K74 HydrophobicContact CB-CG 4.15Å; Q62-K74 VanDerWaalsContact CB-O 3.28Å; Q62-K74 WeakPolarHBondContact CB-O 3.29Å; Q62-K74 PolarHBondContact N-O 2.82Å; H63-K74 HydrophobicContact CB-CB 4.08Å; H63-K74 PolarHBondContact N-O 2.92Å; H63-K74 PolarHBondContact O-N 2.97Å; K74-E85 WeakPolarHBondContact CE-OE1 3.44Å; K74-E85 VanDerWaalsContact CE-OE2 3.28Å; K74-E85 WeakPolarHBondContact CE-OE2 3.43Å; K74-E85 VanDerWaalsContact NZ-CD 3.34Å; K74-E85 IonicContact NZ-OE1 3.11Å; K74-E85 PolarHBondContact NZ-OE1 3.09Å; K74-E85 IonicContact NZ-OE2 3.92Å; K74-E85 PolarHBondContact NZ-OE2 2.82Å; K74-E85 VanDerWaalsContact NZ-OE2 3.08Å; K74-Y87 HydrophobicContact CB-CD2 3.99Å; K74-Y87 HydrophobicContact CB-CE2 4.28Å; K74-Y87 HydrophobicContact CG-CD2 4.45Å
75	F	98.2	Very high	95.6	Very high	14 Å²	14	63 Å²	63	6%	0.061	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	168.3	178	-68.6	-76.6	0	0	0	112	V59 F60 M61 F73 L86 L88 Y139	V59-F75 HydrophobicContact CB-CB 4.26Å; V59-F75 HydrophobicContact CB-CD1 3.83Å; V59-F75 HydrophobicContact CB-CE1 4.37Å; V59-F75 HydrophobicContact CB-CG 4.16Å; V59-F75 HydrophobicContact CG2-CD1 3.7Å; V59-F75 HydrophobicContact CG2-CE1 3.73Å; V59-F75 HydrophobicContact CG2-CG 4.3Å; V59-F75 HydrophobicContact CG2-CZ 4.33Å; F60-F75 CarbonylContact O-C 3.58Å; F60-F75 WeakPolarHBondContact O-CA 3.48Å; M61-F75 HydrophobicContact CB-CD1 4.27Å; M61-F75 HydrophobicContact CB-CE1 4.16Å; M61-F75 HydrophobicContact CE-CD1 4.09Å; M61-F75 HydrophobicContact CE-CE1 3.2Å; M61-F75 HydrophobicContact CE-CE2 4.27Å; M61-F75 HydrophobicContact CE-CZ 3.32Å; M61-F75 HydrophobicContact SD-CD1 4.14Å; M61-F75 HydrophobicContact SD-CE1 3.84Å; M61-F75 HydrophobicContact SD-CZ 4.24Å; F73-F75 HydrophobicContact CB-CD2 3.79Å; F73-F75 HydrophobicContact CB-CE2 3.22Å; F73-F75 HydrophobicContact CB-CZ 3.85Å; F73-F75 HydrophobicContact CD1-CZ 4.38Å; F73-F75 HydrophobicContact CG-CE2 4Å; F73-F75 HydrophobicContact CG-CZ 4.29Å; F75-L86 WeakPolarHBondContact CA-O 3.38Å; F75-L86 HydrophobicContact CB-CB 4.13Å; F75-L86 HydrophobicContact CB-CD2 4.45Å; F75-L86 HydrophobicContact CB-CG 4.49Å; F75-L86 PolarHBondContact N-O 2.94Å; F75-L86 PolarHBondContact O-N 3.46Å; F75-L88 HydrophobicContact CD2-CD1 4.25Å; F75-L88 HydrophobicContact CE2-CD1 4.14Å; F75-Y139 WeakPolarHBondContact CE1-OH 3.41Å
76	R	97.5	Very high	95.5	Very high	15 Å²	15	62.4 Å²	62.4	6%	0.057	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	148.4	156.9	-72.9	171.8	174.8	-133.7	-19.8	111.5	V59 F60 Q62 R84 E85 C176 A179 R180	V59-R76 CarbonylContact C-O 3.4Å; V59-R76 WeakPolarHBondContact CA-O 3.39Å; F60-R76 HydrophobicContact CB-CB 4.32Å; F60-R76 HydrophobicContact CD2-CB 4.28Å; F60-R76 WeakPolarHBondContact CD2-O 3.49Å; F60-R76 PolarHBondContact N-O 2.99Å; F60-R76 PolarHBondContact O-N 3.26Å; Q62-R76 HydrophobicContact CG-CG 4.15Å; Q62-R76 VanDerWaalsContact NE2-NE 3.17Å; R76-R84 CarbonylContact C-O 3.56Å; R76-R84 WeakPolarHBondContact CA-O 3.35Å; R76-E85 IonicContact NH2-OE1 3.75Å; R76-E85 PolarHBondContact NH2-OE1 3.01Å; R76-C176 HydrophobicContact CB-CB 4.02Å; R76-C176 HydrophobicContact CG-CB 4.48Å; R76-C176 PolarHBondContact NH1-O 2.61Å; R76-A179 PolarHBondContact NH1-O 3.22Å; R76-A179 VanDerWaalsContact NH2-C 3.27Å; R76-A179 PolarHBondContact NH2-O 2.79Å; R76-R180 VanDerWaalsContact NH1-N 3.16Å
77	I	97	Very high	95.6	Very high	12 Å²	12	66 Å²	66	6%	0.062	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	145.1	171.1	-170.8	165.3	0	0	0	108.7	V59 E79 C83 R84 Y103	V59-I77 HydrophobicContact CG1-CB 4.46Å; V59-I77 HydrophobicContact CG1-CD1 4.43Å; I77-E79 HydrophobicContact CD1-CG 4.28Å; I77-E79 HydrophobicContact CG1-CG 4.07Å; I77-E79 HydrophobicContact CG2-CG 4.22Å; I77-C83 WeakPolarHBondContact O-CA 3.43Å; I77-R84 HydrophobicContact CG2-CB 4.25Å; I77-R84 PolarHBondContact N-O 2.88Å; I77-R84 PolarHBondContact O-N 3.44Å; I77-Y103 WeakPolarHBondContact CD1-OH 3.33Å
78	K	95.8	Very high	95.7	Very high	65 Å²	65	63.6 Å²	63.6	28%	0.283	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	106.3	175.2	-171	171	-177.5	173.5	0	109.3	F60 G81 E82 D174	F60-K78 HydrophobicContact CE2-CB 3.99Å; K78-G81 VanDerWaalsContact CE-O 3.29Å; K78-G81 WeakPolarHBondContact CE-O 3.38Å; K78-E82 WeakPolarHBondContact CA-O 3.49Å; K78-D174 IonicContact NZ-OD2 3.76Å; K78-D174 PolarHBondContact NZ-OD2 3.06Å
79	E	92.9	Very high	96.1	Very high	72 Å²	72	57.4 Å²	57.4	34%	0.336	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	122.8	179.9	-62.1	-177.3	140.5	0	0	108.6	I77 G81 E82 R84	I77-E79 HydrophobicContact CD1-CG 4.28Å; I77-E79 HydrophobicContact CG1-CG 4.07Å; I77-E79 HydrophobicContact CG2-CG 4.22Å; E79-G81 PolarHBondContact O-N 2.82Å; E79-G81 VanDerWaalsContact O-N 3.08Å; E79-E82 PolarHBondContact N-O 3.01Å; E79-E82 PolarHBondContact O-N 2.82Å; E79-R84 IonicContact OE2-CZ 3.25Å; E79-R84 IonicContact OE2-NE 3.68Å; E79-R84 IonicContact OE2-NH1 3.9Å; E79-R84 PolarHBondContact OE2-NH1 2.58Å
80	N	92.9	Very high	96.6	Very high	143 Å²	143	51.3 Å²	51.3	77%	0.765	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	34.5	178.8	-57.6	-42.1	0	0	0	113.7	N54 E82	N54-N80 PolarHBondContact OD1-N 2.99Å; N80-E82 VanDerWaalsContact C-N 3.33Å; N80-E82 PolarHBondContact O-N 2.82Å
81	G	92.3	Very high	96.7	Very high	52 Å²	52	57.4 Å²	57.4	54%	0.536	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.6	-12.3	-179.5	0	0	0	0	0	115.2	K78 E79	K78-G81 VanDerWaalsContact CE-O 3.29Å; K78-G81 WeakPolarHBondContact CE-O 3.38Å; E79-G81 PolarHBondContact O-N 2.82Å; E79-G81 VanDerWaalsContact O-N 3.08Å
82	E	94.9	Very high	96.6	Very high	115 Å²	115	62.7 Å²	62.7	54%	0.537	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	133.9	-179	-63.8	-177.2	165.6	0	0	111.6	K78 E79 N80 R84	K78-E82 WeakPolarHBondContact CA-O 3.49Å; E79-E82 PolarHBondContact N-O 3.01Å; E79-E82 PolarHBondContact O-N 2.82Å; N80-E82 VanDerWaalsContact C-N 3.33Å; N80-E82 PolarHBondContact O-N 2.82Å; E82-R84 IonicContact OE2-CZ 3.75Å; E82-R84 IonicContact OE2-NE 3.33Å; E82-R84 IonicContact OE2-NH2 2.68Å; E82-R84 PolarHBondContact OE2-NH2 2.89Å; E82-R84 VanDerWaalsContact OE2-NH2 3.11Å
83	C	96.5	Very high	96.4	Very high	52 Å²	52	63.9 Å²	63.9	35%	0.351	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	124.7	175.2	-67.8	0	0	0	0	110.7	I77 C176	I77-C83 WeakPolarHBondContact O-CA 3.43Å; C83-C176 HydrophobicContact CB-CB 3.63Å; C83-C176 WeakPolarHBondContact CB-SG 3.17Å; C83-C176 VanDerWaalsContact SG-CA 3.55Å; C83-C176 WeakPolarHBondContact SG-CB 2.99Å; C83-C176 CovalentContact SG-SG 2.03Å; C83-C176 PolarHBondContact SG-SG 2.99Å
84	R	95.4	Very high	96.2	Very high	122 Å²	122	70.2 Å²	70.2	46%	0.46	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	150.4	178.3	-63.5	178.5	-179.5	171.5	-3.2	110.8	R76 I77 E79 E82	R76-R84 CarbonylContact C-O 3.56Å; R76-R84 WeakPolarHBondContact CA-O 3.35Å; I77-R84 HydrophobicContact CG2-CB 4.25Å; I77-R84 PolarHBondContact N-O 2.88Å; I77-R84 PolarHBondContact O-N 3.44Å; E79-R84 IonicContact OE2-CZ 3.25Å; E79-R84 IonicContact OE2-NE 3.68Å; E79-R84 IonicContact OE2-NH1 3.9Å; E79-R84 PolarHBondContact OE2-NH1 2.58Å; E82-R84 IonicContact OE2-CZ 3.75Å; E82-R84 IonicContact OE2-NE 3.33Å; E82-R84 IonicContact OE2-NH2 2.68Å; E82-R84 PolarHBondContact OE2-NH2 2.89Å; E82-R84 VanDerWaalsContact OE2-NH2 3.11Å
85	E	96.4	Very high	95.9	Very high	112 Å²	112	73.2 Å²	73.2	52%	0.523	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	141.9	173.3	-60	-160	149.2	0	0	110.4	K74 R76	K74-E85 WeakPolarHBondContact CE-OE1 3.44Å; K74-E85 VanDerWaalsContact CE-OE2 3.28Å; K74-E85 WeakPolarHBondContact CE-OE2 3.43Å; K74-E85 VanDerWaalsContact NZ-CD 3.34Å; K74-E85 IonicContact NZ-OE1 3.11Å; K74-E85 PolarHBondContact NZ-OE1 3.09Å; K74-E85 IonicContact NZ-OE2 3.92Å; K74-E85 PolarHBondContact NZ-OE2 2.82Å; K74-E85 VanDerWaalsContact NZ-OE2 3.08Å; R76-E85 IonicContact NH2-OE1 3.75Å; R76-E85 PolarHBondContact NH2-OE1 3.01Å
86	L	97.1	Very high	95.5	Very high	32 Å²	32	77.7 Å²	77.7	17%	0.168	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	122.7	175.3	171.4	65.4	0	0	0	107.3	V59 F75 L88 Y103	V59-L86 HydrophobicContact CG1-CD2 4.09Å; F75-L86 WeakPolarHBondContact CA-O 3.38Å; F75-L86 HydrophobicContact CB-CB 4.13Å; F75-L86 HydrophobicContact CB-CD2 4.45Å; F75-L86 HydrophobicContact CB-CG 4.49Å; F75-L86 PolarHBondContact N-O 2.94Å; F75-L86 PolarHBondContact O-N 3.46Å; L86-L88 HydrophobicContact CD1-CD2 3.92Å; L86-L88 HydrophobicContact CD1-CG 4.19Å; L86-L88 HydrophobicContact CD2-CD1 4.14Å; L86-L88 HydrophobicContact CD2-CG 4.35Å; L86-L88 HydrophobicContact CG-CD1 4.38Å; L86-L88 HydrophobicContact CG-CD2 4.33Å; L86-L88 HydrophobicContact CG-CG 4.04Å; L86-Y103 HydrophobicContact CD1-CD2 4.29Å; L86-Y103 HydrophobicContact CD1-CE2 3.95Å; L86-Y103 HydrophobicContact CD2-CD2 4.24Å; L86-Y103 HydrophobicContact CD2-CE1 4.11Å; L86-Y103 HydrophobicContact CD2-CE2 3.62Å; L86-Y103 HydrophobicContact CG-CE2 4.45Å
87	Y	98.1	Very high	95.2	Very high	111 Å²	111	77.7 Å²	77.7	44%	0.435	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	126.8	175	-167.4	-103	0	0	0	109.7	D65 F73 K74 V89	D65-Y87 VanDerWaalsContact OD2-CE2 3.23Å; D65-Y87 WeakPolarHBondContact OD2-CE2 3.31Å; D65-Y87 PolarHBondContact OD2-OH 2.94Å; F73-Y87 WeakPolarHBondContact O-CA 3.28Å; K74-Y87 HydrophobicContact CB-CD2 3.99Å; K74-Y87 HydrophobicContact CB-CE2 4.28Å; K74-Y87 HydrophobicContact CG-CD2 4.45Å; Y87-V89 HydrophobicContact CD1-CG2 4.16Å; Y87-V89 HydrophobicContact CE1-CG2 3.61Å
88	L	98.5	Very high	95.1	Very high	25 Å²	25	78.7 Å²	78.7	13%	0.131	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	139.5	-178.4	-63.9	179.1	0	0	0	109.8	G72 F73 F75 L86 V101 Y103	G72-L88 CarbonylContact C-O 3.55Å; G72-L88 WeakPolarHBondContact CA-O 3.47Å; F73-L88 PolarHBondContact N-O 2.91Å; F73-L88 PolarHBondContact O-N 2.82Å; F75-L88 HydrophobicContact CD2-CD1 4.25Å; F75-L88 HydrophobicContact CE2-CD1 4.14Å; L86-L88 HydrophobicContact CD1-CD2 3.92Å; L86-L88 HydrophobicContact CD1-CG 4.19Å; L86-L88 HydrophobicContact CD2-CD1 4.14Å; L86-L88 HydrophobicContact CD2-CG 4.35Å; L86-L88 HydrophobicContact CG-CD1 4.38Å; L86-L88 HydrophobicContact CG-CD2 4.33Å; L86-L88 HydrophobicContact CG-CG 4.04Å; L88-V101 HydrophobicContact CB-CG2 3.98Å; L88-Y103 HydrophobicContact CD1-CD1 4.18Å; L88-Y103 HydrophobicContact CD1-CD2 4.32Å; L88-Y103 HydrophobicContact CD1-CG 3.86Å; L88-Y103 HydrophobicContact CD2-CD2 4.04Å; L88-Y103 HydrophobicContact CD2-CG 4.2Å
89	V	98.4	Very high	95.2	Very high	43 Å²	43	76.1 Å²	76.1	26%	0.261	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	120.9	174.5	-179.2	0	0	0	0	108.4	L67 L71 Y87 Y91 V101	L67-V89 HydrophobicContact CD1-CG1 4.26Å; L71-V89 CarbonylContact O-C 3.53Å; L71-V89 WeakPolarHBondContact O-CA 3.17Å; Y87-V89 HydrophobicContact CD1-CG2 4.16Å; Y87-V89 HydrophobicContact CE1-CG2 3.61Å; V89-Y91 HydrophobicContact CG1-CE1 4.11Å; V89-Y91 HydrophobicContact CG1-CE2 4.18Å; V89-V101 WeakPolarHBondContact O-CG2 3.2Å
90	A	98.5	Very high	95.4	Very high	0 Å²	0	75.5 Å²	75.5	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	133.5	176	0	0	0	0	0	111.2	S70 L71 F73 Y99 F100 V101 F109	S70-A90 CarbonylContact C-O 3.52Å; S70-A90 VanDerWaalsContact CA-O 3.22Å; S70-A90 WeakPolarHBondContact CA-O 3.42Å; S70-A90 WeakPolarHBondContact CB-O 3.23Å; L71-A90 PolarHBondContact N-O 3.03Å; L71-A90 PolarHBondContact O-N 2.87Å; F73-A90 HydrophobicContact CD2-CB 4.4Å; F73-A90 HydrophobicContact CE2-CB 3.75Å; A90-Y99 HydrophobicContact CB-CD1 4.48Å; A90-F100 CarbonylContact C-O 3.59Å; A90-F100 WeakPolarHBondContact CA-O 3.36Å; A90-V101 HydrophobicContact CB-CB 3.88Å; A90-V101 HydrophobicContact CB-CG1 4.48Å; A90-F109 HydrophobicContact CB-CE1 3.46Å; A90-F109 VanDerWaalsContact CB-CE1 3.46Å; A90-F109 HydrophobicContact CB-CZ 3.59Å
91	Y	97.3	Very high	95.7	Very high	143 Å²	143	69.3 Å²	69.3	56%	0.561	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.8	141.3	-178.7	-59.1	-85.2	0	0	0	110.2	V89 T93 Y99 F100	V89-Y91 HydrophobicContact CG1-CE1 4.11Å; V89-Y91 HydrophobicContact CG1-CE2 4.18Å; Y91-T93 PolarHBondContact O-N 2.91Å; Y91-Y99 CarbonylContact O-C 3.55Å; Y91-Y99 VanDerWaalsContact O-CA 3.28Å; Y91-Y99 WeakPolarHBondContact O-CA 3.48Å; Y91-F100 PolarHBondContact N-O 2.94Å; Y91-F100 PolarHBondContact O-N 3.35Å
92	K	95.3	Very high	96	Very high	113 Å²	113	74.2 Å²	74.2	49%	0.491	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	134.1	175	-169.1	168.3	-177.4	168.6	0	110.4	Y99	K92-Y99 HydrophobicContact CB-CD1 4.34Å; K92-Y99 HydrophobicContact CB-CE1 4.12Å
93	T	94.9	Very high	96.1	Very high	24 Å²	24	71.1 Å²	71.1	15%	0.147	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-88.4	171.2	174.7	82	0	0	0	0	110.4	Y91 E95 E98 F100	Y91-T93 PolarHBondContact O-N 2.91Å; T93-E95 PolarHBondContact O-N 2.94Å; T93-E95 PolarHBondContact OG1-N 3.03Å; T93-E95 VanDerWaalsContact OG1-N 3.14Å; T93-E98 HydrophobicContact CG2-CB 4.49Å; T93-E98 HydrophobicContact CG2-CG 4.06Å; T93-E98 WeakPolarHBondContact CG2-OE1 3.34Å; T93-E98 PolarHBondContact N-O 2.98Å; T93-E98 WeakPolarHBondContact OG1-CB 3.43Å; T93-E98 PolarHBondContact OG1-OE1 3.22Å; T93-F100 HydrophobicContact CG2-CB 3.73Å
94	P	94	Very high	96.2	Very high	144 Å²	144	70.3 Å²	70.3	94%	0.935	34%	0.337	S	S	*	.	S	Bend	trans	-63.4	-18.1	170.2	-23.9	35.8	0	0	0	114.1
95	E	92.8	Very high	96.3	Very high	129 Å²	129	65.7 Å²	65.7	60%	0.603	33%	0.327	S	S	*	.	S	Bend	trans	-80.3	137.5	176.5	-60.8	-165.3	-176.2	0	0	111	T93 G97 E98	T93-E95 PolarHBondContact O-N 2.94Å; T93-E95 PolarHBondContact OG1-N 3.03Å; T93-E95 VanDerWaalsContact OG1-N 3.14Å; E95-G97 PolarHBondContact O-N 2.83Å; E95-E98 HydrophobicContact CB-CB 4.04Å; E95-E98 PolarHBondContact O-N 2.79Å
96	D	89.4	Confident	96.4	Very high	108 Å²	108	60.6 Å²	60.6	58%	0.578	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	128	-173.5	-175.7	44.5	0	0	0	112.7	E98	D96-E98 PolarHBondContact O-N 2.83Å
97	G	90.1	Very high	96.5	Very high	14 Å²	14	59.2 Å²	59.2	14%	0.144	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.4	8.2	-178.5	0	0	0	0	0	115.3	E95	E95-G97 PolarHBondContact O-N 2.83Å
98	E	95.2	Very high	96.5	Very high	33 Å²	33	55.6 Å²	55.6	15%	0.154	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	142.6	178.8	-171.9	-173.4	71	0	0	112.5	T93 E95 D96 T108 T110	T93-E98 HydrophobicContact CG2-CB 4.49Å; T93-E98 HydrophobicContact CG2-CG 4.06Å; T93-E98 WeakPolarHBondContact CG2-OE1 3.34Å; T93-E98 PolarHBondContact N-O 2.98Å; T93-E98 WeakPolarHBondContact OG1-CB 3.43Å; T93-E98 PolarHBondContact OG1-OE1 3.22Å; E95-E98 HydrophobicContact CB-CB 4.04Å; E95-E98 PolarHBondContact O-N 2.79Å; D96-E98 PolarHBondContact O-N 2.83Å; E98-T108 WeakPolarHBondContact OE2-CB 3.38Å; E98-T110 HydrophobicContact CB-CG2 4.02Å; E98-T110 HydrophobicContact CG-CG2 4.15Å
99	Y	97.5	Very high	96.5	Very high	12 Å²	12	54.9 Å²	54.9	5%	0.047	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	153	176.3	-68.5	-94	0	0	0	110.6	V31 L71 A90 Y91 K92 T108 F109	V31-Y99 WeakPolarHBondContact CG2-OH 3.33Å; L71-Y99 HydrophobicContact CD1-CD1 4.13Å; L71-Y99 HydrophobicContact CD1-CD2 4.35Å; L71-Y99 HydrophobicContact CD1-CE1 3.77Å; L71-Y99 HydrophobicContact CD1-CE2 4Å; L71-Y99 HydrophobicContact CD1-CG 4.42Å; L71-Y99 HydrophobicContact CG-CD1 4.26Å; L71-Y99 HydrophobicContact CG-CE1 3.76Å; A90-Y99 HydrophobicContact CB-CD1 4.48Å; Y91-Y99 CarbonylContact O-C 3.55Å; Y91-Y99 VanDerWaalsContact O-CA 3.28Å; Y91-Y99 WeakPolarHBondContact O-CA 3.48Å; K92-Y99 HydrophobicContact CB-CD1 4.34Å; K92-Y99 HydrophobicContact CB-CE1 4.12Å; Y99-T108 CarbonylContact O-C 3.59Å; Y99-T108 VanDerWaalsContact O-CA 3.29Å; Y99-T108 WeakPolarHBondContact O-CA 3.41Å; Y99-F109 VanDerWaalsContact CB-CE1 3.49Å; Y99-F109 AromaticContact CD2-CE2 3.88Å; Y99-F109 HydrophobicContact CD2-CE2 3.88Å; Y99-F109 HydrophobicContact CD2-CZ 4.25Å; Y99-F109 HydrophobicContact CG-CE1 4.48Å; Y99-F109 AromaticContact CG-CE2 3.92Å; Y99-F109 HydrophobicContact CG-CE2 3.92Å; Y99-F109 AromaticContact CG-CZ 3.8Å; Y99-F109 HydrophobicContact CG-CZ 3.8Å; Y99-F109 PolarHBondContact N-O 2.68Å; Y99-F109 PolarHBondContact O-N 3.47Å
100	F	98.3	Very high	96.4	Very high	58 Å²	58	53.3 Å²	53.3	25%	0.254	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	137.3	176.6	177.2	-102.4	0	0	0	111.7	A90 Y91 T93 E102 N107 T108 F127	A90-F100 CarbonylContact C-O 3.59Å; A90-F100 WeakPolarHBondContact CA-O 3.36Å; Y91-F100 PolarHBondContact N-O 2.94Å; Y91-F100 PolarHBondContact O-N 3.35Å; T93-F100 HydrophobicContact CG2-CB 3.73Å; F100-E102 HydrophobicContact CE1-CG 3.65Å; F100-E102 HydrophobicContact CZ-CG 3.67Å; F100-N107 CarbonylContact C-O 3.5Å; F100-N107 VanDerWaalsContact CA-O 3.29Å; F100-N107 WeakPolarHBondContact CA-O 3.43Å; F100-N107 VanDerWaalsContact CD2-O 3.27Å; F100-N107 WeakPolarHBondContact CD2-O 2.97Å; F100-T108 HydrophobicContact CD2-CG2 4.1Å; F100-F127 HydrophobicContact CD2-CE1 4.35Å; F100-F127 HydrophobicContact CD2-CZ 4.35Å; F100-F127 AromaticContact CE2-CE1 3.77Å; F100-F127 HydrophobicContact CE2-CE1 3.77Å; F100-F127 AromaticContact CE2-CZ 3.45Å; F100-F127 HydrophobicContact CE2-CZ 3.45Å; F100-F127 VanDerWaalsContact CE2-CZ 3.45Å; F100-F127 HydrophobicContact CZ-CZ 4.15Å
101	V	98.5	Very high	96.3	Very high	13 Å²	13	53.5 Å²	53.5	8%	0.079	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	138.8	174.3	62.2	0	0	0	0	111.6	L88 V89 A90 N107 F109	L88-V101 HydrophobicContact CB-CG2 3.98Å; V89-V101 WeakPolarHBondContact O-CG2 3.2Å; A90-V101 HydrophobicContact CB-CB 3.88Å; A90-V101 HydrophobicContact CB-CG1 4.48Å; V101-N107 HydrophobicContact CG1-CB 3.88Å; V101-N107 PolarHBondContact N-O 2.59Å; V101-N107 WeakPolarHBondContact O-CB 3.13Å; V101-N107 PolarHBondContact O-N 2.67Å; V101-N107 PolarHBondContact O-ND2 2.7Å; V101-F109 HydrophobicContact CG1-CD1 4.28Å; V101-F109 HydrophobicContact CG1-CE1 4.07Å
102	E	98.3	Very high	96.2	Very high	155 Å²	155	48.3 Å²	48.3	72%	0.724	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	115.3	173.3	-66	-169.3	137	0	0	110.7	F100 G105	F100-E102 HydrophobicContact CE1-CG 3.65Å; F100-E102 HydrophobicContact CZ-CG 3.67Å; E102-G105 WeakPolarHBondContact CA-O 3.01Å
103	Y	98.2	Very high	96.2	Very high	50 Å²	50	44.9 Å²	44.9	20%	0.196	24%	0.242	C	C	.	.	S	Bend	trans	-165.1	120	172.7	178.7	-111.5	0	0	0	109.1	S56 M57 I77 L86 L88 G105 N107	S56-Y103 VanDerWaalsContact O-CE1 3.29Å; S56-Y103 WeakPolarHBondContact O-CE1 3.42Å; S56-Y103 PolarHBondContact O-OH 3.11Å; S56-Y103 VanDerWaalsContact O-OH 3.06Å; M57-Y103 HydrophobicContact CE-CD1 4.29Å; M57-Y103 HydrophobicContact SD-CD1 4.04Å; M57-Y103 HydrophobicContact SD-CE1 4.08Å; I77-Y103 WeakPolarHBondContact CD1-OH 3.33Å; L86-Y103 HydrophobicContact CD1-CD2 4.29Å; L86-Y103 HydrophobicContact CD1-CE2 3.95Å; L86-Y103 HydrophobicContact CD2-CD2 4.24Å; L86-Y103 HydrophobicContact CD2-CE1 4.11Å; L86-Y103 HydrophobicContact CD2-CE2 3.62Å; L86-Y103 HydrophobicContact CG-CE2 4.45Å; L88-Y103 HydrophobicContact CD1-CD1 4.18Å; L88-Y103 HydrophobicContact CD1-CD2 4.32Å; L88-Y103 HydrophobicContact CD1-CG 3.86Å; L88-Y103 HydrophobicContact CD2-CD2 4.04Å; L88-Y103 HydrophobicContact CD2-CG 4.2Å; Y103-G105 CarbonylContact C-O 3.53Å; Y103-G105 PolarHBondContact N-O 2.98Å; Y103-G105 PolarHBondContact O-N 3.36Å; Y103-N107 PolarHBondContact N-ND2 2.77Å; Y103-N107 PolarHBondContact O-ND2 2.9Å
104	D	97.3	Very high	96.3	Very high	35 Å²	35	44.3 Å²	44.3	19%	0.187	24%	0.238	C	C	.	.	S	Bend	trans	48.7	45.4	-172.8	-172	32.8	0	0	0	112.9	K50 S56 M57 N126 K128	K50-D104 IonicContact NZ-OD1 2.74Å; K50-D104 IonicContact NZ-OD2 3.81Å; K50-D104 PolarHBondContact NZ-OD2 2.66Å; S56-D104 WeakPolarHBondContact CB-OD2 3.17Å; S56-D104 PolarHBondContact OG-OD2 2.79Å; M57-D104 HydrophobicContact CE-CB 4.1Å; D104-N126 PolarHBondContact O-ND2 2.92Å; D104-K128 IonicContact OD1-NZ 2.76Å; D104-K128 PolarHBondContact OD1-NZ 2.88Å
105	G	97.9	Very high	96.4	Very high	25 Å²	25	39 Å²	39	26%	0.258	20%	0.202	S	C	.	.	S	Bend	trans	109.7	-173.9	-168.4	0	0	0	0	0	111.7	E102 Y103 N107 F127	E102-G105 WeakPolarHBondContact CA-O 3.01Å; Y103-G105 CarbonylContact C-O 3.53Å; Y103-G105 PolarHBondContact N-O 2.98Å; Y103-G105 PolarHBondContact O-N 3.36Å; G105-N107 PolarHBondContact O-ND2 2.95Å; G105-F127 WeakPolarHBondContact CA-O 3.42Å
106	G	98.5	Very high	96.6	Very high	6 Å²	6	34.5 Å²	34.5	6%	0.062	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	142	170.1	0	0	0	0	0	110.1	N126 F127	G106-N126 CarbonylContact O-C 3.57Å; G106-N126 WeakPolarHBondContact O-CA 3.37Å; G106-F127 VanDerWaalsContact C-CE1 3.45Å; G106-F127 PolarHBondContact N-O 3.16Å; G106-F127 WeakPolarHBondContact O-CD1 3.24Å; G106-F127 WeakPolarHBondContact O-CE1 3.26Å; G106-F127 PolarHBondContact O-N 2.86Å
107	N	98.7	Very high	96.9	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.016	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	121.2	179.6	-52.8	-89.6	0	0	0	109	M57 F100 V101 Y103 G105 L124 V125 N126	M57-N107 WeakPolarHBondContact CE-OD1 3.4Å; F100-N107 CarbonylContact C-O 3.5Å; F100-N107 VanDerWaalsContact CA-O 3.29Å; F100-N107 WeakPolarHBondContact CA-O 3.43Å; F100-N107 VanDerWaalsContact CD2-O 3.27Å; F100-N107 WeakPolarHBondContact CD2-O 2.97Å; V101-N107 HydrophobicContact CG1-CB 3.88Å; V101-N107 PolarHBondContact N-O 2.59Å; V101-N107 WeakPolarHBondContact O-CB 3.13Å; V101-N107 PolarHBondContact O-N 2.67Å; V101-N107 PolarHBondContact O-ND2 2.7Å; Y103-N107 PolarHBondContact N-ND2 2.77Å; Y103-N107 PolarHBondContact O-ND2 2.9Å; G105-N107 PolarHBondContact O-ND2 2.95Å; N107-L124 HydrophobicContact CB-CD1 3.75Å; N107-L124 HydrophobicContact CB-CD2 4.06Å; N107-L124 HydrophobicContact CB-CG 3.96Å; N107-V125 WeakPolarHBondContact CA-O 3.39Å; N107-N126 WeakPolarHBondContact OD1-CB 3.39Å; N107-N126 PolarHBondContact OD1-ND2 3.31Å
108	T	98.5	Very high	97.3	Very high	34 Å²	34	41.7 Å²	41.7	21%	0.209	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	138.1	162.9	56.8	0	0	0	0	109.2	E98 Y99 F100 L124 V125 F127	E98-T108 WeakPolarHBondContact OE2-CB 3.38Å; Y99-T108 CarbonylContact O-C 3.59Å; Y99-T108 VanDerWaalsContact O-CA 3.29Å; Y99-T108 WeakPolarHBondContact O-CA 3.41Å; F100-T108 HydrophobicContact CD2-CG2 4.1Å; T108-L124 CarbonylContact O-C 3.58Å; T108-L124 VanDerWaalsContact O-CA 3.28Å; T108-L124 WeakPolarHBondContact O-CA 3.25Å; T108-V125 PolarHBondContact N-O 3.38Å; T108-V125 PolarHBondContact O-N 2.92Å; T108-F127 HydrophobicContact CG2-CE1 4.4Å
109	F	98.3	Very high	97.5	Very high	11 Å²	11	41 Å²	41	5%	0.048	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	158	178.4	72	-95.4	0	0	0	112.6	F73 A90 Y99 V101 F122 H123 L124	F73-F109 HydrophobicContact CE2-CE1 4.32Å; F73-F109 AromaticContact CE2-CZ 3.69Å; F73-F109 HydrophobicContact CE2-CZ 3.69Å; F73-F109 HydrophobicContact CZ-CE2 4.08Å; F73-F109 AromaticContact CZ-CZ 3.65Å; F73-F109 HydrophobicContact CZ-CZ 3.65Å; A90-F109 HydrophobicContact CB-CE1 3.46Å; A90-F109 VanDerWaalsContact CB-CE1 3.46Å; A90-F109 HydrophobicContact CB-CZ 3.59Å; Y99-F109 VanDerWaalsContact CB-CE1 3.49Å; Y99-F109 AromaticContact CD2-CE2 3.88Å; Y99-F109 HydrophobicContact CD2-CE2 3.88Å; Y99-F109 HydrophobicContact CD2-CZ 4.25Å; Y99-F109 HydrophobicContact CG-CE1 4.48Å; Y99-F109 AromaticContact CG-CE2 3.92Å; Y99-F109 HydrophobicContact CG-CE2 3.92Å; Y99-F109 AromaticContact CG-CZ 3.8Å; Y99-F109 HydrophobicContact CG-CZ 3.8Å; Y99-F109 PolarHBondContact N-O 2.68Å; Y99-F109 PolarHBondContact O-N 3.47Å; V101-F109 HydrophobicContact CG1-CD1 4.28Å; V101-F109 HydrophobicContact CG1-CE1 4.07Å; F109-F122 AromaticContact CD2-CD1 3.75Å; F109-F122 HydrophobicContact CD2-CD1 3.75Å; F109-F122 HydrophobicContact CD2-CE1 4.08Å; F109-F122 HydrophobicContact CE2-CD1 4.02Å; F109-F122 AromaticContact CE2-CE1 3.86Å; F109-F122 HydrophobicContact CE2-CE1 3.86Å; F109-H123 CarbonylContact C-O 3.55Å; F109-H123 WeakPolarHBondContact CA-O 3.45Å; F109-H123 VanDerWaalsContact CB-O 3.31Å; F109-H123 WeakPolarHBondContact CB-O 3.31Å; F109-L124 HydrophobicContact CB-CB 3.72Å; F109-L124 HydrophobicContact CB-CD1 4.13Å; F109-L124 HydrophobicContact CB-CG 4.02Å; F109-L124 HydrophobicContact CD1-CD1 4.49Å
110	T	96.8	Very high	97.5	Very high	10 Å²	10	40.4 Å²	40.4	6%	0.061	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	156.4	174.7	72.4	0	0	0	0	110.6	R26 E98 H123	R26-T110 PolarHBondContact NH2-OG1 2.96Å; E98-T110 HydrophobicContact CB-CG2 4.02Å; E98-T110 HydrophobicContact CG-CG2 4.15Å; T110-H123 PolarHBondContact N-O 2.82Å; T110-H123 PolarHBondContact O-N 2.8Å
111	I	96.5	Very high	97.5	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.015	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	114.3	173.5	-66.1	151.4	0	0	0	107.9	L29 L34 T114 V120 F122	L29-I111 HydrophobicContact CD1-CD1 4.4Å; L29-I111 HydrophobicContact CD1-CG2 4.08Å; L29-I111 HydrophobicContact CD2-CB 4.21Å; L29-I111 HydrophobicContact CD2-CD1 3.55Å; L29-I111 HydrophobicContact CD2-CG1 4.49Å; L34-I111 HydrophobicContact CD1-CD1 3.45Å; L34-I111 VanDerWaalsContact CD1-CD1 3.45Å; I111-T114 HydrophobicContact CG2-CG2 4.19Å; I111-V120 HydrophobicContact CG2-CG2 3.89Å; I111-F122 HydrophobicContact CD1-CE1 3.98Å; I111-F122 HydrophobicContact CD1-CZ 4.46Å; I111-F122 HydrophobicContact CG1-CD1 3.71Å; I111-F122 HydrophobicContact CG1-CE1 3.27Å; I111-F122 HydrophobicContact CG1-CZ 3.93Å
112	L	95.3	Very high	97.5	Very high	34 Å²	34	37.4 Å²	37.4	18%	0.178	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	-48.9	-177.2	-70.4	-177	0	0	0	112.1	F24 M121 H123 M136	F24-L112 WeakPolarHBondContact CD1-O 3.08Å; L112-M121 HydrophobicContact CB-CB 4.33Å; L112-M121 PolarHBondContact N-O 2.82Å; L112-H123 HydrophobicContact CD1-CB 3.7Å; L112-H123 HydrophobicContact CD2-CB 3.87Å; L112-H123 HydrophobicContact CG-CB 3.67Å; L112-M136 HydrophobicContact CD1-CE 3.45Å; L112-M136 VanDerWaalsContact CD1-CE 3.45Å
113	K	95.6	Very high	97.5	Very high	41 Å²	41	31.4 Å²	31.4	18%	0.178	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	140.3	-176.3	-64.8	-170.7	-174.6	-69.9	0	109.6	Y119 V120 M121 L156	K113-Y119 HydrophobicContact CB-CE2 4Å; K113-V120 CarbonylContact O-C 3.58Å; K113-V120 WeakPolarHBondContact O-CA 3.4Å; K113-M121 HydrophobicContact CB-SD 4.27Å; K113-M121 PolarHBondContact O-N 3.19Å; K113-L156 HydrophobicContact CD-CD1 4.13Å
114	T	96.7	Very high	97.5	Very high	12 Å²	12	29.8 Å²	29.8	7%	0.074	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	152.3	172.2	-176.2	0	0	0	0	109.1	F24 L29 L34 I111 Y116 Y119	F24-T114 HydrophobicContact CE2-CG2 4.07Å; L29-T114 HydrophobicContact CD1-CG2 3.72Å; L34-T114 HydrophobicContact CD2-CG2 4.39Å; I111-T114 HydrophobicContact CG2-CG2 4.19Å; T114-Y116 HydrophobicContact CG2-CD1 3.87Å; T114-Y116 HydrophobicContact CG2-CE1 3.51Å; T114-Y116 HydrophobicContact CG2-CE2 4.44Å; T114-Y116 HydrophobicContact CG2-CG 4.48Å; T114-Y116 PolarHBondContact OG1-N 3.4Å; T114-Y119 WeakPolarHBondContact CA-O 3.37Å; T114-Y119 PolarHBondContact OG1-O 3.16Å
115	D	95.8	Very high	97.6	Very high	32 Å²	32	30.3 Å²	30.3	17%	0.171	15%	0.154	C	C	.	.			trans	-115.5	10.2	161	67.2	3.2	0	0	0	112.5	D117 R118 Y119	D115-D117 PolarHBondContact O-N 2.03Å; D115-D117 PolarHBondContact OD1-N 3.42Å; D115-R118 WeakPolarHBondContact OD1-CA 3.33Å; D115-R118 WeakPolarHBondContact OD1-CB 3.15Å; D115-R118 PolarHBondContact OD1-N 2.96Å; D115-R118 IonicContact OD2-CZ 3.08Å; D115-R118 IonicContact OD2-NE 2.7Å; D115-R118 PolarHBondContact OD2-NE 2.75Å; D115-R118 IonicContact OD2-NH2 2.98Å; D115-R118 PolarHBondContact OD2-NH2 3.05Å; D115-Y119 HydrophobicContact CB-CD1 4.28Å; D115-Y119 HydrophobicContact CB-CE1 3.87Å; D115-Y119 VanDerWaalsContact CG-CD1 3.42Å; D115-Y119 VanDerWaalsContact CG-CE1 3.47Å; D115-Y119 PolarHBondContact N-O 2.85Å; D115-Y119 WeakPolarHBondContact OD1-CD1 3.42Å; D115-Y119 PolarHBondContact OD1-N 3.27Å; D115-Y119 WeakPolarHBondContact OD2-CD1 3.46Å; D115-Y119 WeakPolarHBondContact OD2-CE1 3.39Å
116	Y	96.5	Very high	97.6	Very high	35 Å²	35	29.2 Å²	29.2	14%	0.137	14%	0.143	C	C	.	.	S	Bend	trans	64.7	-39	-179.5	-45.4	-75.1	0	0	0	115.3	N28 L29 D30 K33 L34 W38 T114 R141	N28-Y116 PolarHBondContact O-OH 3.09Å; L29-Y116 HydrophobicContact CD1-CE1 3.94Å; D30-Y116 PolarHBondContact N-OH 3.21Å; D30-Y116 WeakPolarHBondContact O-CE1 3.47Å; K33-Y116 HydrophobicContact CB-CD1 3.45Å; K33-Y116 VanDerWaalsContact CB-CD1 3.45Å; K33-Y116 HydrophobicContact CB-CD2 4.33Å; K33-Y116 HydrophobicContact CB-CE1 4.04Å; K33-Y116 HydrophobicContact CB-CG 3.62Å; K33-Y116 HydrophobicContact CD-CD1 4.48Å; K33-Y116 HydrophobicContact CD-CD2 3.96Å; K33-Y116 HydrophobicContact CD-CE2 4.27Å; K33-Y116 HydrophobicContact CD-CG 4.08Å; L34-Y116 HydrophobicContact CD2-CD1 3.95Å; L34-Y116 HydrophobicContact CD2-CE1 4.34Å; L34-Y116 HydrophobicContact CG-CD1 4.33Å; W38-Y116 WeakPolarHBondContact CH2-O 3.5Å; T114-Y116 HydrophobicContact CG2-CD1 3.87Å; T114-Y116 HydrophobicContact CG2-CE1 3.51Å; T114-Y116 HydrophobicContact CG2-CE2 4.44Å; T114-Y116 HydrophobicContact CG2-CG 4.48Å; T114-Y116 PolarHBondContact OG1-N 3.4Å; Y116-R141 PolarHBondContact O-NE 3.01Å; Y116-R141 PolarHBondContact O-NH2 3.09Å; Y116-R141 VanDerWaalsContact O-NH2 3.08Å
117	D	97.1	Very high	97.6	Very high	130 Å²	130	33.5 Å²	33.5	70%	0.695	16%	0.16	S	C	*	.	S	Bend	trans	-91.7	-20.3	-171.2	-62.6	-36.9	0	0	0	113.5	D115 R141	D115-D117 PolarHBondContact O-N 2.03Å; D115-D117 PolarHBondContact OD1-N 3.42Å; D117-R141 WeakPolarHBondContact O-CG 3.35Å
118	R	98	Very high	97.5	Very high	143 Å²	143	37.4 Å²	37.4	54%	0.54	18%	0.177	S	C	.	.	S	Bend	trans	-127.9	-47.5	-176.5	-60	177.9	-64.9	-171.3	-3.2	112.4	D115 G140 R141 F149	D115-R118 WeakPolarHBondContact OD1-CA 3.33Å; D115-R118 WeakPolarHBondContact OD1-CB 3.15Å; D115-R118 PolarHBondContact OD1-N 2.96Å; D115-R118 IonicContact OD2-CZ 3.08Å; D115-R118 IonicContact OD2-NE 2.7Å; D115-R118 PolarHBondContact OD2-NE 2.75Å; D115-R118 IonicContact OD2-NH2 2.98Å; D115-R118 PolarHBondContact OD2-NH2 3.05Å; R118-G140 CarbonylContact O-C 3.55Å; R118-G140 VanDerWaalsContact O-CA 3.24Å; R118-G140 WeakPolarHBondContact O-CA 3.32Å; R118-R141 PolarHBondContact O-N 2.96Å; R118-F149 HydrophobicContact CB-CZ 4.49Å
119	Y	98.4	Very high	97.4	Very high	19 Å²	19	43.2 Å²	43.2	8%	0.075	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	155.7	-172.5	80	-78.1	0	0	0	113.6	K113 T114 D115 M121 L138 Y139 F149 K152	K113-Y119 HydrophobicContact CB-CE2 4Å; T114-Y119 WeakPolarHBondContact CA-O 3.37Å; T114-Y119 PolarHBondContact OG1-O 3.16Å; D115-Y119 HydrophobicContact CB-CD1 4.28Å; D115-Y119 HydrophobicContact CB-CE1 3.87Å; D115-Y119 VanDerWaalsContact CG-CD1 3.42Å; D115-Y119 VanDerWaalsContact CG-CE1 3.47Å; D115-Y119 PolarHBondContact N-O 2.85Å; D115-Y119 WeakPolarHBondContact OD1-CD1 3.42Å; D115-Y119 PolarHBondContact OD1-N 3.27Å; D115-Y119 WeakPolarHBondContact OD2-CD1 3.46Å; D115-Y119 WeakPolarHBondContact OD2-CE1 3.39Å; Y119-M121 HydrophobicContact CD2-CE 3.69Å; Y119-M121 HydrophobicContact CD2-CG 3.93Å; Y119-M121 HydrophobicContact CD2-SD 4.25Å; Y119-M121 HydrophobicContact CE2-CE 3.62Å; Y119-M121 HydrophobicContact CE2-CG 4.09Å; Y119-M121 HydrophobicContact CE2-SD 3.93Å; Y119-L138 HydrophobicContact CD2-CD1 4.19Å; Y119-Y139 VanDerWaalsContact CA-O 3.26Å; Y119-Y139 WeakPolarHBondContact CA-O 3.39Å; Y119-F149 AromaticContact CD1-CD1 3.66Å; Y119-F149 HydrophobicContact CD1-CD1 3.66Å; Y119-F149 AromaticContact CD1-CE1 3.26Å; Y119-F149 HydrophobicContact CD1-CE1 3.26Å; Y119-F149 HydrophobicContact CD1-CZ 4.16Å; Y119-F149 HydrophobicContact CD2-CD1 4.44Å; Y119-F149 HydrophobicContact CE1-CD1 4.06Å; Y119-F149 AromaticContact CE1-CE1 3.53Å; Y119-F149 HydrophobicContact CE1-CE1 3.53Å; Y119-F149 AromaticContact CG-CD1 3.87Å; Y119-F149 HydrophobicContact CG-CD1 3.87Å; Y119-F149 AromaticContact CG-CE1 3.95Å; Y119-F149 HydrophobicContact CG-CE1 3.95Å; Y119-K152 PolarHBondContact OH-NZ 3.15Å
120	V	98.2	Very high	97.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	141.6	165	58.8	0	0	0	0	109.4	L34 W38 I111 K113 F122 Y139	L34-V120 HydrophobicContact CD2-CB 4.44Å; L34-V120 HydrophobicContact CD2-CG2 4.17Å; W38-V120 HydrophobicContact CD2-CG1 4.12Å; W38-V120 HydrophobicContact CE3-CG1 3.82Å; W38-V120 HydrophobicContact CH2-CB 4.01Å; W38-V120 HydrophobicContact CH2-CG1 3.82Å; W38-V120 HydrophobicContact CZ2-CB 4.45Å; W38-V120 HydrophobicContact CZ2-CG1 4.08Å; W38-V120 HydrophobicContact CZ3-CB 4.2Å; W38-V120 HydrophobicContact CZ3-CG1 3.69Å; I111-V120 HydrophobicContact CG2-CG2 3.89Å; K113-V120 CarbonylContact O-C 3.58Å; K113-V120 WeakPolarHBondContact O-CA 3.4Å; V120-F122 HydrophobicContact CB-CE2 4.25Å; V120-F122 HydrophobicContact CG1-CD2 4.37Å; V120-F122 HydrophobicContact CG1-CE2 3.67Å; V120-F122 HydrophobicContact CG1-CZ 4.5Å; V120-F122 HydrophobicContact CG2-CD2 4.04Å; V120-F122 HydrophobicContact CG2-CE2 3.5Å; V120-F122 HydrophobicContact CG2-CZ 3.86Å; V120-Y139 HydrophobicContact CG1-CD2 3.99Å; V120-Y139 HydrophobicContact CG1-CG 4.36Å; V120-Y139 PolarHBondContact N-O 2.9Å; V120-Y139 PolarHBondContact O-N 3.09Å
121	M	98.4	Very high	97.4	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	123.7	178.4	-65.2	172.8	-175.9	0	0	109.6	L112 K113 Y119 E137 L138 K152 F153 L156	L112-M121 HydrophobicContact CB-CB 4.33Å; L112-M121 PolarHBondContact N-O 2.82Å; K113-M121 HydrophobicContact CB-SD 4.27Å; K113-M121 PolarHBondContact O-N 3.19Å; Y119-M121 HydrophobicContact CD2-CE 3.69Å; Y119-M121 HydrophobicContact CD2-CG 3.93Å; Y119-M121 HydrophobicContact CD2-SD 4.25Å; Y119-M121 HydrophobicContact CE2-CE 3.62Å; Y119-M121 HydrophobicContact CE2-CG 4.09Å; Y119-M121 HydrophobicContact CE2-SD 3.93Å; M121-E137 CarbonylContact C-O 3.55Å; M121-E137 VanDerWaalsContact CA-O 3.31Å; M121-E137 WeakPolarHBondContact CA-O 2.82Å; M121-L138 HydrophobicContact CE-CD1 3.85Å; M121-L138 HydrophobicContact CG-CD1 3.72Å; M121-K152 HydrophobicContact CE-CB 4.39Å; M121-K152 HydrophobicContact CE-CD 4.27Å; M121-K152 HydrophobicContact CE-CG 4.28Å; M121-F153 HydrophobicContact CB-CD2 4.43Å; M121-F153 HydrophobicContact CE-CB 3.99Å; M121-F153 HydrophobicContact CG-CD2 3.92Å; M121-F153 HydrophobicContact SD-CB 4.49Å; M121-F153 HydrophobicContact SD-CD2 4.12Å; M121-L156 HydrophobicContact SD-CD1 3.43Å; M121-L156 WeakPolarHBondContact SD-CD1 3.4Å
122	F	98.3	Very high	97.5	Very high	8 Å²	8	56.5 Å²	56.5	4%	0.035	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	149.8	176.2	-69.1	-90.2	0	0	0	111.1	I64 F73 F109 I111 V120 M136 E137 Y139	I64-F122 HydrophobicContact CD1-CZ 4.33Å; F73-F122 HydrophobicContact CE1-CZ 4.23Å; F109-F122 AromaticContact CD2-CD1 3.75Å; F109-F122 HydrophobicContact CD2-CD1 3.75Å; F109-F122 HydrophobicContact CD2-CE1 4.08Å; F109-F122 HydrophobicContact CE2-CD1 4.02Å; F109-F122 AromaticContact CE2-CE1 3.86Å; F109-F122 HydrophobicContact CE2-CE1 3.86Å; I111-F122 HydrophobicContact CD1-CE1 3.98Å; I111-F122 HydrophobicContact CD1-CZ 4.46Å; I111-F122 HydrophobicContact CG1-CD1 3.71Å; I111-F122 HydrophobicContact CG1-CE1 3.27Å; I111-F122 HydrophobicContact CG1-CZ 3.93Å; V120-F122 HydrophobicContact CB-CE2 4.25Å; V120-F122 HydrophobicContact CG1-CD2 4.37Å; V120-F122 HydrophobicContact CG1-CE2 3.67Å; V120-F122 HydrophobicContact CG1-CZ 4.5Å; V120-F122 HydrophobicContact CG2-CD2 4.04Å; V120-F122 HydrophobicContact CG2-CE2 3.5Å; V120-F122 HydrophobicContact CG2-CZ 3.86Å; F122-M136 WeakPolarHBondContact O-CA 3.45Å; F122-E137 HydrophobicContact CB-CB 4.48Å; F122-E137 PolarHBondContact N-O 2.86Å; F122-E137 PolarHBondContact O-N 3.21Å; F122-E137 VanDerWaalsContact O-N 3.16Å; F122-Y139 AromaticContact CD2-CD2 3.85Å; F122-Y139 HydrophobicContact CD2-CD2 3.85Å; F122-Y139 AromaticContact CD2-CE2 3.65Å; F122-Y139 HydrophobicContact CD2-CE2 3.65Å; F122-Y139 AromaticContact CE2-CD2 3.6Å; F122-Y139 HydrophobicContact CE2-CD2 3.6Å; F122-Y139 AromaticContact CE2-CE2 3.6Å; F122-Y139 HydrophobicContact CE2-CE2 3.6Å
123	H	98.4	Very high	97.6	Very high	29 Å²	29	55.2 Å²	55.2	13%	0.134	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	129.7	163.7	169.7	-121.6	0	0	0	108.9	F109 T110 L112 Q134 M136 H160	F109-H123 CarbonylContact C-O 3.55Å; F109-H123 WeakPolarHBondContact CA-O 3.45Å; F109-H123 VanDerWaalsContact CB-O 3.31Å; F109-H123 WeakPolarHBondContact CB-O 3.31Å; T110-H123 PolarHBondContact N-O 2.82Å; T110-H123 PolarHBondContact O-N 2.8Å; L112-H123 HydrophobicContact CD1-CB 3.7Å; L112-H123 HydrophobicContact CD2-CB 3.87Å; L112-H123 HydrophobicContact CG-CB 3.67Å; H123-Q134 PolarHBondContact NE2-OE1 2.95Å; H123-M136 HydrophobicContact CB-CG 4.32Å; H123-H160 AromaticContact CD2-CD2 3.93Å; H123-H160 AromaticContact CE1-CD2 3.76Å; H123-H160 AromaticContact ND1-CD2 3.99Å; H123-H160 AromaticContact NE2-CD2 3.7Å
124	L	98.4	Very high	97.7	Very high	15 Å²	15	55.5 Å²	55.5	8%	0.079	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	142.1	-173.7	177.4	155.2	0	0	0	109.6	N107 T108 F109 N126 Q134 L135	N107-L124 HydrophobicContact CB-CD1 3.75Å; N107-L124 HydrophobicContact CB-CD2 4.06Å; N107-L124 HydrophobicContact CB-CG 3.96Å; T108-L124 CarbonylContact O-C 3.58Å; T108-L124 VanDerWaalsContact O-CA 3.28Å; T108-L124 WeakPolarHBondContact O-CA 3.25Å; F109-L124 HydrophobicContact CB-CB 3.72Å; F109-L124 HydrophobicContact CB-CD1 4.13Å; F109-L124 HydrophobicContact CB-CG 4.02Å; F109-L124 HydrophobicContact CD1-CD1 4.49Å; L124-N126 HydrophobicContact CD2-CB 4.1Å; L124-Q134 WeakPolarHBondContact O-CA 3.29Å; L124-L135 HydrophobicContact CB-CB 4.23Å; L124-L135 HydrophobicContact CD1-CD2 4.47Å; L124-L135 HydrophobicContact CD2-CB 3.9Å; L124-L135 HydrophobicContact CD2-CD2 4.36Å; L124-L135 PolarHBondContact N-O 3.01Å; L124-L135 PolarHBondContact O-N 2.68Å
125	V	98.6	Very high	97.8	Very high	46 Å²	46	55 Å²	55	28%	0.279	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	119.9	168.4	-176.7	0	0	0	0	107.9	N107 T108 Q134	N107-V125 WeakPolarHBondContact CA-O 3.39Å; T108-V125 PolarHBondContact N-O 3.38Å; T108-V125 PolarHBondContact O-N 2.92Å; V125-Q134 HydrophobicContact CG2-CG 4.45Å
126	N	98.7	Very high	98	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.011	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	142.3	172.9	177.6	-86.3	0	0	0	109.6	M57 D104 G106 N107 L124 T132 F133	M57-N126 HydrophobicContact CE-CB 4.45Å; M57-N126 WeakPolarHBondContact CE-ND2 3.47Å; D104-N126 PolarHBondContact O-ND2 2.92Å; G106-N126 CarbonylContact O-C 3.57Å; G106-N126 WeakPolarHBondContact O-CA 3.37Å; N107-N126 WeakPolarHBondContact OD1-CB 3.39Å; N107-N126 PolarHBondContact OD1-ND2 3.31Å; L124-N126 HydrophobicContact CD2-CB 4.1Å; N126-T132 WeakPolarHBondContact O-CA 3.31Å; N126-T132 WeakPolarHBondContact O-CB 3.35Å; N126-F133 HydrophobicContact CB-CD1 3.76Å; N126-F133 HydrophobicContact CB-CD2 4.2Å; N126-F133 HydrophobicContact CB-CE1 3.36Å; N126-F133 HydrophobicContact CB-CE2 3.83Å; N126-F133 HydrophobicContact CB-CG 4.17Å; N126-F133 HydrophobicContact CB-CZ 3.41Å; N126-F133 VanDerWaalsContact CB-CZ 3.41Å; N126-F133 PolarHBondContact N-O 2.9Å; N126-F133 PolarHBondContact O-N 2.94Å; N126-F133 VanDerWaalsContact O-N 3.15Å; N126-F133 WeakPolarHBondContact OD1-CE1 3.43Å
127	F	98.2	Very high	98.1	Very high	96 Å²	96	52.5 Å²	52.5	42%	0.421	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	126.9	170	59.4	-90.6	0	0	0	110.4	F100 G105 G106 T108 E131 T132	F100-F127 HydrophobicContact CD2-CE1 4.35Å; F100-F127 HydrophobicContact CD2-CZ 4.35Å; F100-F127 AromaticContact CE2-CE1 3.77Å; F100-F127 HydrophobicContact CE2-CE1 3.77Å; F100-F127 AromaticContact CE2-CZ 3.45Å; F100-F127 HydrophobicContact CE2-CZ 3.45Å; F100-F127 VanDerWaalsContact CE2-CZ 3.45Å; F100-F127 HydrophobicContact CZ-CZ 4.15Å; G105-F127 WeakPolarHBondContact CA-O 3.42Å; G106-F127 VanDerWaalsContact C-CE1 3.45Å; G106-F127 PolarHBondContact N-O 3.16Å; G106-F127 WeakPolarHBondContact O-CD1 3.24Å; G106-F127 WeakPolarHBondContact O-CE1 3.26Å; G106-F127 PolarHBondContact O-N 2.86Å; T108-F127 HydrophobicContact CG2-CE1 4.4Å; F127-E131 WeakPolarHBondContact CA-O 3.3Å; F127-T132 HydrophobicContact CB-CG2 4.07Å
128	K	97.7	Very high	98.2	Very high	86 Å²	86	46.3 Å²	46.3	37%	0.374	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	125.6	178.9	-169	-174.9	-172.2	177.4	0	109.9	D104 G130 E131	D104-K128 IonicContact OD1-NZ 2.76Å; D104-K128 PolarHBondContact OD1-NZ 2.88Å; K128-G130 PolarHBondContact O-N 2.78Å; K128-G130 VanDerWaalsContact O-N 3.16Å; K128-E131 PolarHBondContact N-O 2.87Å; K128-E131 PolarHBondContact O-N 3.15Å
129	N	96.4	Very high	98.2	Very high	155 Å²	155	39.7 Å²	39.7	83%	0.829	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	36.5	174.8	-58.2	-22.6	0	0	0	114.5	E131	N129-E131 PolarHBondContact O-N 2.8Å
130	G	96.2	Very high	98.2	Very high	86 Å²	86	38.8 Å²	38.8	89%	0.887	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.4	-4.8	-178.8	0	0	0	0	0	115	K128	K128-G130 PolarHBondContact O-N 2.78Å; K128-G130 VanDerWaalsContact O-N 3.16Å
131	E	97.6	Very high	98.2	Very high	119 Å²	119	41.7 Å²	41.7	56%	0.556	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.3	150	170.7	-65.1	-176.2	-167	0	0	110.9	K47 F127 K128 N129	K47-E131 IonicContact NZ-OE2 2.77Å; K47-E131 PolarHBondContact NZ-OE2 3.24Å; F127-E131 WeakPolarHBondContact CA-O 3.3Å; K128-E131 PolarHBondContact N-O 2.87Å; K128-E131 PolarHBondContact O-N 3.15Å; N129-E131 PolarHBondContact O-N 2.8Å
132	T	98.1	Very high	98.2	Very high	99 Å²	99	45.6 Å²	45.6	61%	0.607	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.4	152.6	173.3	62.9	0	0	0	0	111.6	N126 F127	N126-T132 WeakPolarHBondContact O-CA 3.31Å; N126-T132 WeakPolarHBondContact O-CB 3.35Å; F127-T132 HydrophobicContact CB-CG2 4.07Å
133	F	98.6	Very high	98.2	Very high	7 Å²	7	51.3 Å²	51.3	3%	0.031	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	159	167.6	69.7	-94.7	0	0	0	110.4	N46 K47 K50 M57 N126 L135	N46-F133 WeakPolarHBondContact OD1-CA 3.38Å; N46-F133 WeakPolarHBondContact OD1-CB 3.38Å; K47-F133 HydrophobicContact CB-CB 3.62Å; K47-F133 HydrophobicContact CB-CD2 4.42Å; K47-F133 HydrophobicContact CB-CG 4.01Å; K47-F133 HydrophobicContact CD-CB 4.11Å; K47-F133 HydrophobicContact CD-CD1 4.12Å; K47-F133 HydrophobicContact CD-CG 4.31Å; K50-F133 HydrophobicContact CB-CE2 4.28Å; K50-F133 HydrophobicContact CB-CZ 4.32Å; K50-F133 HydrophobicContact CD-CE1 3.95Å; K50-F133 HydrophobicContact CD-CZ 3.91Å; K50-F133 HydrophobicContact CG-CD1 4.36Å; K50-F133 HydrophobicContact CG-CD2 4.42Å; K50-F133 HydrophobicContact CG-CE1 3.95Å; K50-F133 HydrophobicContact CG-CE2 4.04Å; K50-F133 HydrophobicContact CG-CZ 3.77Å; M57-F133 HydrophobicContact CE-CE1 4.49Å; M57-F133 HydrophobicContact CE-CE2 4.33Å; M57-F133 HydrophobicContact CE-CZ 3.58Å; M57-F133 HydrophobicContact CG-CE2 3.9Å; M57-F133 HydrophobicContact CG-CZ 3.72Å; M57-F133 HydrophobicContact SD-CZ 4.45Å; N126-F133 HydrophobicContact CB-CD1 3.76Å; N126-F133 HydrophobicContact CB-CD2 4.2Å; N126-F133 HydrophobicContact CB-CE1 3.36Å; N126-F133 HydrophobicContact CB-CE2 3.83Å; N126-F133 HydrophobicContact CB-CG 4.17Å; N126-F133 HydrophobicContact CB-CZ 3.41Å; N126-F133 VanDerWaalsContact CB-CZ 3.41Å; N126-F133 PolarHBondContact N-O 2.9Å; N126-F133 PolarHBondContact O-N 2.94Å; N126-F133 VanDerWaalsContact O-N 3.15Å; N126-F133 WeakPolarHBondContact OD1-CE1 3.43Å; F133-L135 HydrophobicContact CE2-CB 4.3Å
134	Q	98.5	Very high	98.2	Very high	46 Å²	46	53.3 Å²	53.3	22%	0.215	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	141.7	175	-63.3	-170.8	86.7	0	0	110	S45 N46 H123 L124 V125 H160 I162	S45-Q134 WeakPolarHBondContact CA-O 3.37Å; S45-Q134 VanDerWaalsContact CB-O 3.32Å; S45-Q134 WeakPolarHBondContact CB-O 3.46Å; S45-Q134 PolarHBondContact OG-O 3.49Å; N46-Q134 PolarHBondContact N-O 2.94Å; N46-Q134 PolarHBondContact OD1-N 2.95Å; N46-Q134 PolarHBondContact OD1-O 3.08Å; H123-Q134 PolarHBondContact NE2-OE1 2.95Å; L124-Q134 WeakPolarHBondContact O-CA 3.29Å; V125-Q134 HydrophobicContact CG2-CG 4.45Å; Q134-H160 PolarHBondContact NE2-O 3.38Å; Q134-I162 HydrophobicContact CB-CD1 4.25Å
135	L	98.8	Very high	98.2	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.016	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	138.6	172.8	-176.2	74.4	0	0	0	108.1	V43 A44 I51 M57 L124 F133 E137	V43-L135 HydrophobicContact CG2-CD1 3.69Å; A44-L135 CarbonylContact O-C 3.22Å; A44-L135 WeakPolarHBondContact O-CA 3.37Å; I51-L135 HydrophobicContact CG2-CD1 3.5Å; M57-L135 HydrophobicContact CB-CD1 3.94Å; M57-L135 HydrophobicContact CB-CD2 3.91Å; M57-L135 HydrophobicContact CG-CD2 4.15Å; M57-L135 HydrophobicContact SD-CD2 4.24Å; L124-L135 HydrophobicContact CB-CB 4.23Å; L124-L135 HydrophobicContact CD1-CD2 4.47Å; L124-L135 HydrophobicContact CD2-CB 3.9Å; L124-L135 HydrophobicContact CD2-CD2 4.36Å; L124-L135 PolarHBondContact N-O 3.01Å; L124-L135 PolarHBondContact O-N 2.68Å; F133-L135 HydrophobicContact CE2-CB 4.3Å; L135-E137 HydrophobicContact CD2-CG 4.19Å; L135-E137 HydrophobicContact CG-CG 4.11Å
136	M	98.9	Very high	98.1	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	141.6	172	-66.2	-177.5	64.9	0	0	109	A44 L112 F122 H123 F153 L156 C157 H160 I162	A44-M136 HydrophobicContact CB-CB 4.45Å; A44-M136 PolarHBondContact N-O 3.24Å; A44-M136 PolarHBondContact O-N 2.87Å; L112-M136 HydrophobicContact CD1-CE 3.45Å; L112-M136 VanDerWaalsContact CD1-CE 3.45Å; F122-M136 WeakPolarHBondContact O-CA 3.45Å; H123-M136 HydrophobicContact CB-CG 4.32Å; M136-F153 HydrophobicContact CB-CE2 4Å; M136-F153 HydrophobicContact CB-CZ 3.7Å; M136-F153 HydrophobicContact CE-CE2 4.36Å; M136-L156 HydrophobicContact CE-CB 3.93Å; M136-C157 HydrophobicContact SD-CB 4.34Å; M136-H160 HydrophobicContact SD-CB 3.83Å; M136-I162 HydrophobicContact CB-CD1 4.38Å; M136-I162 HydrophobicContact CG-CD1 3.86Å; M136-I162 HydrophobicContact SD-CD1 3.91Å
137	E	98.9	Very high	98.1	Very high	14 Å²	14	57.3 Å²	57.3	7%	0.065	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	134.6	-173.6	-58.9	-176.2	82.1	0	0	110.7	V43 M121 F122 L135 Y139	V43-E137 HydrophobicContact CG2-CG 4.23Å; M121-E137 CarbonylContact C-O 3.55Å; M121-E137 VanDerWaalsContact CA-O 3.31Å; M121-E137 WeakPolarHBondContact CA-O 2.82Å; F122-E137 HydrophobicContact CB-CB 4.48Å; F122-E137 PolarHBondContact N-O 2.86Å; F122-E137 PolarHBondContact O-N 3.21Å; F122-E137 VanDerWaalsContact O-N 3.16Å; L135-E137 HydrophobicContact CD2-CG 4.19Å; L135-E137 HydrophobicContact CG-CG 4.11Å; E137-Y139 HydrophobicContact CB-CD1 4.37Å; E137-Y139 HydrophobicContact CB-CE1 3.67Å; E137-Y139 HydrophobicContact CG-CE1 4.38Å; E137-Y139 WeakPolarHBondContact OE1-CE1 3.49Å; E137-Y139 PolarHBondContact OE1-OH 2.74Å; E137-Y139 PolarHBondContact OE2-OH 2.85Å; E137-Y139 VanDerWaalsContact OE2-OH 3.09Å
138	L	98.8	Very high	98.1	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	118	170.5	173.6	62.2	0	0	0	108.9	I41 V42 Y119 M121 L145 F153	I41-L138 HydrophobicContact CB-CD2 4.29Å; I41-L138 HydrophobicContact CB-CG 4.12Å; I41-L138 WeakPolarHBondContact CB-O 3.17Å; I41-L138 HydrophobicContact CG1-CG 4.5Å; I41-L138 HydrophobicContact CG2-CD2 4.27Å; I41-L138 PolarHBondContact N-O 3.36Å; V42-L138 HydrophobicContact CB-CB 4.13Å; V42-L138 HydrophobicContact CB-CD2 4.4Å; V42-L138 HydrophobicContact CG2-CD2 4.09Å; V42-L138 PolarHBondContact N-O 3.37Å; V42-L138 PolarHBondContact O-N 2.87Å; Y119-L138 HydrophobicContact CD2-CD1 4.19Å; M121-L138 HydrophobicContact CE-CD1 3.85Å; M121-L138 HydrophobicContact CG-CD1 3.72Å; L138-L145 HydrophobicContact CD1-CD1 3.94Å; L138-L145 HydrophobicContact CD2-CD1 4.07Å; L138-L145 HydrophobicContact CG-CD1 4.03Å; L138-F153 HydrophobicContact CB-CB 4.47Å; L138-F153 HydrophobicContact CB-CD1 4.16Å; L138-F153 HydrophobicContact CB-CD2 3.77Å; L138-F153 HydrophobicContact CB-CE1 4.34Å; L138-F153 HydrophobicContact CB-CE2 3.95Å; L138-F153 HydrophobicContact CB-CG 3.86Å; L138-F153 HydrophobicContact CB-CZ 4.23Å; L138-F153 HydrophobicContact CD2-CB 3.99Å; L138-F153 HydrophobicContact CD2-CG 4.24Å
139	Y	98.8	Very high	98.1	Very high	3 Å²	3	55.3 Å²	55.3	1%	0.012	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	149.5	171.7	-50.6	-32.3	0	0	0	111.1	F39 M61 F75 Y119 V120 F122 E137	F39-Y139 CarbonylContact O-C 3.5Å; F39-Y139 VanDerWaalsContact O-CA 3.25Å; F39-Y139 WeakPolarHBondContact O-CA 3.35Å; M61-Y139 HydrophobicContact CB-CD1 4.21Å; M61-Y139 HydrophobicContact CB-CD2 4.34Å; M61-Y139 HydrophobicContact CB-CE1 4.14Å; M61-Y139 HydrophobicContact CB-CE2 4.32Å; M61-Y139 HydrophobicContact CB-CG 4.29Å; M61-Y139 HydrophobicContact CE-CD2 3.81Å; M61-Y139 HydrophobicContact CE-CE2 3.16Å; M61-Y139 HydrophobicContact CG-CD2 4.18Å; M61-Y139 HydrophobicContact CG-CE2 4.3Å; M61-Y139 HydrophobicContact CG-CG 4.47Å; F75-Y139 WeakPolarHBondContact CE1-OH 3.41Å; Y119-Y139 VanDerWaalsContact CA-O 3.26Å; Y119-Y139 WeakPolarHBondContact CA-O 3.39Å; V120-Y139 HydrophobicContact CG1-CD2 3.99Å; V120-Y139 HydrophobicContact CG1-CG 4.36Å; V120-Y139 PolarHBondContact N-O 2.9Å; V120-Y139 PolarHBondContact O-N 3.09Å; F122-Y139 AromaticContact CD2-CD2 3.85Å; F122-Y139 HydrophobicContact CD2-CD2 3.85Å; F122-Y139 AromaticContact CD2-CE2 3.65Å; F122-Y139 HydrophobicContact CD2-CE2 3.65Å; F122-Y139 AromaticContact CE2-CD2 3.6Å; F122-Y139 HydrophobicContact CE2-CD2 3.6Å; F122-Y139 AromaticContact CE2-CE2 3.6Å; F122-Y139 HydrophobicContact CE2-CE2 3.6Å; E137-Y139 HydrophobicContact CB-CD1 4.37Å; E137-Y139 HydrophobicContact CB-CE1 3.67Å; E137-Y139 HydrophobicContact CG-CE1 4.38Å; E137-Y139 WeakPolarHBondContact OE1-CE1 3.49Å; E137-Y139 PolarHBondContact OE1-OH 2.74Å; E137-Y139 PolarHBondContact OE2-OH 2.85Å; E137-Y139 VanDerWaalsContact OE2-OH 3.09Å
140	G	98.6	Very high	98.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	152.7	176	0	0	0	0	0	111.8	W38 F39 R118 T142	W38-G140 CarbonylContact C-O 3.42Å; W38-G140 WeakPolarHBondContact CA-O 3.23Å; W38-G140 VanDerWaalsContact CE3-C 3.46Å; F39-G140 PolarHBondContact N-O 2.94Å; F39-G140 PolarHBondContact O-N 3.49Å; R118-G140 CarbonylContact O-C 3.55Å; R118-G140 VanDerWaalsContact O-CA 3.24Å; R118-G140 WeakPolarHBondContact O-CA 3.32Å; G140-T142 PolarHBondContact O-N 3.24Å
141	R	98.1	Very high	98.2	Very high	61 Å²	61	51.8 Å²	51.8	23%	0.23	27%	0.267	C	S	.	.	S	Bend	trans	-70.3	-12	169.7	-67.8	-61.4	-164.3	169.8	2.5	113	K33 N35 D37 W38 Y116 D117 R118	K33-R141 PolarHBondContact O-NH2 3.2Å; N35-R141 PolarHBondContact O-NH1 3.16Å; N35-R141 PolarHBondContact O-NH2 3.21Å; D37-R141 VanDerWaalsContact O-CD 3.23Å; D37-R141 WeakPolarHBondContact O-CD 3.19Å; D37-R141 PolarHBondContact O-NH1 2.95Å; W38-R141 HydrophobicContact CE3-CG 4.11Å; W38-R141 HydrophobicContact CH2-CG 3.97Å; W38-R141 HydrophobicContact CZ2-CG 4.48Å; W38-R141 HydrophobicContact CZ3-CG 3.75Å; Y116-R141 PolarHBondContact O-NE 3.01Å; Y116-R141 PolarHBondContact O-NH2 3.09Å; Y116-R141 VanDerWaalsContact O-NH2 3.08Å; D117-R141 WeakPolarHBondContact O-CG 3.35Å; R118-R141 PolarHBondContact O-N 2.96Å
142	T	97.8	Very high	98.2	Very high	83 Å²	83	48.7 Å²	48.7	51%	0.509	25%	0.252	S	S	.	.	S	Bend	trans	-124.7	168	176.6	60.4	0	0	0	0	110.7	I41 G140 D144	I41-T142 WeakPolarHBondContact CD1-O 3.29Å; G140-T142 PolarHBondContact O-N 3.24Å; T142-D144 PolarHBondContact O-N 2.77Å; T142-D144 VanDerWaalsContact O-N 3.15Å; T142-D144 PolarHBondContact OG1-O 3.06Å
143	K	97.7	Very high	98.3	Very high	127 Å²	127	44 Å²	44	55%	0.552	22%	0.223	S	C	*	.	S	Bend	trans	-65.2	-16.6	-174	-64.7	177.3	-177.1	175.7	0	114.2	F39 R175 L177	F39-K143 HydrophobicContact CD1-CG 4.03Å; F39-K143 HydrophobicContact CE1-CG 3.88Å; F39-K143 HydrophobicContact CZ-CG 4.24Å; K143-R175 VanDerWaalsContact O-CZ 3.26Å; K143-R175 PolarHBondContact O-NH1 3.15Å; K143-R175 PolarHBondContact O-NH2 3.42Å; K143-L177 HydrophobicContact CD-CD1 4.33Å
144	D	98.3	Very high	98.2	Very high	71 Å²	71	44.5 Å²	44.5	38%	0.38	23%	0.228	S	C	.	.			trans	-150.2	160.7	174.7	-152	-19.2	0	0	0	109.9	T142 K150 T171	T142-D144 PolarHBondContact O-N 2.77Å; T142-D144 VanDerWaalsContact O-N 3.15Å; T142-D144 PolarHBondContact OG1-O 3.06Å; D144-K150 WeakPolarHBondContact OD1-CE 3.49Å; D144-K150 IonicContact OD1-NZ 2.87Å; D144-K150 PolarHBondContact OD1-NZ 3.02Å; D144-K150 IonicContact OD2-NZ 2.88Å; D144-T171 HydrophobicContact CB-CG2 4.24Å; D144-T171 VanDerWaalsContact OD1-CG2 3.31Å; D144-T171 WeakPolarHBondContact OD1-CG2 3.5Å; D144-T171 WeakPolarHBondContact OD2-CB 3.48Å; D144-T171 PolarHBondContact OD2-OG1 2.85Å
145	L	98.3	Very high	98.2	Very high	21 Å²	21	49.1 Å²	49.1	11%	0.11	25%	0.248	C	C	.	.			trans	-121.9	157.9	174.3	-67.6	175.4	0	0	0	110.2	I41 L138 F149 K150	I41-L145 HydrophobicContact CD1-CG 4.44Å; I41-L145 HydrophobicContact CG1-CD1 3.95Å; I41-L145 HydrophobicContact CG1-CG 4.07Å; I41-L145 HydrophobicContact CG2-CB 4.3Å; I41-L145 HydrophobicContact CG2-CD1 4.49Å; I41-L145 HydrophobicContact CG2-CG 4.42Å; L138-L145 HydrophobicContact CD1-CD1 3.94Å; L138-L145 HydrophobicContact CD2-CD1 4.07Å; L138-L145 HydrophobicContact CG-CD1 4.03Å; L145-F149 HydrophobicContact CB-CB 4Å; L145-F149 HydrophobicContact CB-CD2 4.07Å; L145-F149 HydrophobicContact CB-CG 4.34Å; L145-F149 HydrophobicContact CD1-CB 4.1Å; L145-F149 HydrophobicContact CD1-CG 4.35Å; L145-F149 HydrophobicContact CD2-CD2 4.35Å; L145-K150 WeakPolarHBondContact O-CE 3.31Å
146	S	97.8	Very high	98.2	Very high	58 Å²	58	50.5 Å²	50.5	41%	0.406	26%	0.255	S	S	.	.			trans	-59	158.6	175.6	74.9	0	0	0	0	111.6	D148 F149 K150	S146-D148 PolarHBondContact O-N 3.39Å; S146-F149 PolarHBondContact O-N 3.42Å; S146-F149 VanDerWaalsContact OG-CD2 3.3Å; S146-F149 WeakPolarHBondContact OG-CD2 3.32Å; S146-K150 PolarHBondContact O-N 2.81Å
147	S	97.6	Very high	98.2	Very high	69 Å²	69	50.5 Å²	50.5	48%	0.483	26%	0.255	S	S	.	.	H	α-helix	trans	-56.6	-24.5	177.5	58.7	0	0	0	0	113.4	K150 K151	S147-K150 PolarHBondContact O-N 2.82Å; S147-K151 WeakPolarHBondContact O-CB 3.36Å; S147-K151 WeakPolarHBondContact O-CG 3.49Å; S147-K151 PolarHBondContact O-N 3.11Å
148	D	97.7	Very high	98.2	Very high	105 Å²	105	53.6 Å²	53.6	56%	0.561	27%	0.269	S	S	*	.	H	α-helix	trans	-71.8	-40.4	-176.5	-61.8	-16.1	0	0	0	111.2	S146 K151 K152	S146-D148 PolarHBondContact O-N 3.39Å; D148-K151 PolarHBondContact O-N 3.32Å; D148-K152 WeakPolarHBondContact O-CB 3.28Å; D148-K152 PolarHBondContact O-N 2.72Å
149	F	97.7	Very high	98.1	Very high	35 Å²	35	57.5 Å²	57.5	15%	0.154	30%	0.302	C	S	.	.	H	α-helix	trans	-63.7	-43.2	171.8	-67.7	-71.7	0	0	0	111.5	R118 Y119 L145 S146 K151 K152 F153	R118-F149 HydrophobicContact CB-CZ 4.49Å; Y119-F149 AromaticContact CD1-CD1 3.66Å; Y119-F149 HydrophobicContact CD1-CD1 3.66Å; Y119-F149 AromaticContact CD1-CE1 3.26Å; Y119-F149 HydrophobicContact CD1-CE1 3.26Å; Y119-F149 HydrophobicContact CD1-CZ 4.16Å; Y119-F149 HydrophobicContact CD2-CD1 4.44Å; Y119-F149 HydrophobicContact CE1-CD1 4.06Å; Y119-F149 AromaticContact CE1-CE1 3.53Å; Y119-F149 HydrophobicContact CE1-CE1 3.53Å; Y119-F149 AromaticContact CG-CD1 3.87Å; Y119-F149 HydrophobicContact CG-CD1 3.87Å; Y119-F149 AromaticContact CG-CE1 3.95Å; Y119-F149 HydrophobicContact CG-CE1 3.95Å; L145-F149 HydrophobicContact CB-CB 4Å; L145-F149 HydrophobicContact CB-CD2 4.07Å; L145-F149 HydrophobicContact CB-CG 4.34Å; L145-F149 HydrophobicContact CD1-CB 4.1Å; L145-F149 HydrophobicContact CD1-CG 4.35Å; L145-F149 HydrophobicContact CD2-CD2 4.35Å; S146-F149 PolarHBondContact O-N 3.42Å; S146-F149 VanDerWaalsContact OG-CD2 3.3Å; S146-F149 WeakPolarHBondContact OG-CD2 3.32Å; F149-K151 PolarHBondContact O-N 3.28Å; F149-K152 PolarHBondContact O-N 3.34Å; F149-F153 WeakPolarHBondContact O-CB 3.4Å; F149-F153 PolarHBondContact O-N 2.86Å
150	K	98.3	Very high	98	Very high	38 Å²	38	60 Å²	60	17%	0.165	31%	0.314	C	S	.	.	H	α-helix	trans	-63.5	-41.5	177.7	-59.5	-169.6	-173.2	-167.9	0	111.9	V42 D144 L145 S146 S147 F153 A154 D169 T171	V42-K150 HydrophobicContact CG2-CD 4.17Å; V42-K150 HydrophobicContact CG2-CG 4.03Å; D144-K150 WeakPolarHBondContact OD1-CE 3.49Å; D144-K150 IonicContact OD1-NZ 2.87Å; D144-K150 PolarHBondContact OD1-NZ 3.02Å; D144-K150 IonicContact OD2-NZ 2.88Å; L145-K150 WeakPolarHBondContact O-CE 3.31Å; S146-K150 PolarHBondContact O-N 2.81Å; S147-K150 PolarHBondContact O-N 2.82Å; K150-F153 PolarHBondContact O-N 2.77Å; K150-A154 WeakPolarHBondContact O-CB 3.19Å; K150-A154 PolarHBondContact O-N 2.82Å; K150-D169 IonicContact NZ-OD1 3.74Å; K150-D169 PolarHBondContact NZ-OD1 3.23Å; K150-D169 IonicContact NZ-OD2 3.96Å; K150-D169 PolarHBondContact NZ-OD2 3.18Å; K150-T171 PolarHBondContact NZ-OG1 2.88Å; K150-T171 VanDerWaalsContact NZ-OG1 3.16Å
151	K	98.2	Very high	98	Very high	128 Å²	128	62.8 Å²	62.8	56%	0.557	34%	0.342	S	S	*	.	H	α-helix	trans	-65.4	-42.6	174.9	-75	169.6	-174	170.5	0	112.1	S147 D148 F149 F153 A154 K155	S147-K151 WeakPolarHBondContact O-CB 3.36Å; S147-K151 WeakPolarHBondContact O-CG 3.49Å; S147-K151 PolarHBondContact O-N 3.11Å; D148-K151 PolarHBondContact O-N 3.32Å; F149-K151 PolarHBondContact O-N 3.28Å; K151-F153 VanDerWaalsContact C-N 3.33Å; K151-A154 PolarHBondContact O-N 3.23Å; K151-K155 WeakPolarHBondContact O-CG 3.39Å; K151-K155 PolarHBondContact O-N 3.28Å
152	K	97.5	Very high	98	Very high	55 Å²	55	60 Å²	60	24%	0.239	33%	0.331	C	S	.	.	H	α-helix	trans	-60.2	-45.4	175.8	-174.5	179.1	-174	-178.3	0	110.9	Y119 M121 D148 F149 K155 L156	Y119-K152 PolarHBondContact OH-NZ 3.15Å; M121-K152 HydrophobicContact CE-CB 4.39Å; M121-K152 HydrophobicContact CE-CD 4.27Å; M121-K152 HydrophobicContact CE-CG 4.28Å; D148-K152 WeakPolarHBondContact O-CB 3.28Å; D148-K152 PolarHBondContact O-N 2.72Å; F149-K152 PolarHBondContact O-N 3.34Å; K152-K155 PolarHBondContact O-N 3.29Å; K152-L156 PolarHBondContact O-N 2.91Å
153	F	98.4	Very high	98	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-62.1	-44.4	175.5	-177.3	-105.7	0	0	0	112.5	V42 A44 M121 M136 L138 F149 K150 K151 K155 L156 C157	V42-F153 HydrophobicContact CB-CD1 3.92Å; V42-F153 HydrophobicContact CB-CE1 3.93Å; V42-F153 HydrophobicContact CG1-CD1 3.71Å; V42-F153 HydrophobicContact CG1-CE1 3.62Å; A44-F153 HydrophobicContact CB-CE1 4.22Å; A44-F153 HydrophobicContact CB-CZ 4.49Å; M121-F153 HydrophobicContact CB-CD2 4.43Å; M121-F153 HydrophobicContact CE-CB 3.99Å; M121-F153 HydrophobicContact CG-CD2 3.92Å; M121-F153 HydrophobicContact SD-CB 4.49Å; M121-F153 HydrophobicContact SD-CD2 4.12Å; M136-F153 HydrophobicContact CB-CE2 4Å; M136-F153 HydrophobicContact CB-CZ 3.7Å; M136-F153 HydrophobicContact CE-CE2 4.36Å; L138-F153 HydrophobicContact CB-CB 4.47Å; L138-F153 HydrophobicContact CB-CD1 4.16Å; L138-F153 HydrophobicContact CB-CD2 3.77Å; L138-F153 HydrophobicContact CB-CE1 4.34Å; L138-F153 HydrophobicContact CB-CE2 3.95Å; L138-F153 HydrophobicContact CB-CG 3.86Å; L138-F153 HydrophobicContact CB-CZ 4.23Å; L138-F153 HydrophobicContact CD2-CB 3.99Å; L138-F153 HydrophobicContact CD2-CG 4.24Å; F149-F153 WeakPolarHBondContact O-CB 3.4Å; F149-F153 PolarHBondContact O-N 2.86Å; K150-F153 PolarHBondContact O-N 2.77Å; K151-F153 VanDerWaalsContact C-N 3.33Å; F153-K155 VanDerWaalsContact C-N 3.33Å; F153-K155 PolarHBondContact O-N 3.04Å; F153-L156 WeakPolarHBondContact O-CB 2.97Å; F153-L156 PolarHBondContact O-N 2.77Å; F153-L156 VanDerWaalsContact O-N 3.09Å; F153-C157 WeakPolarHBondContact CE1-SG 3.38Å; F153-C157 PolarHBondContact O-N 2.92Å; F153-C157 PolarHBondContact O-SG 3.15Å
154	A	98.5	Very high	98	Very high	17 Å²	17	61 Å²	61	14%	0.14	33%	0.33	C	S	.	.	H	α-helix	trans	-59.8	-41.1	177.4	0	0	0	0	0	112.6	K150 K151 L156 C157 E158 I167	K150-A154 WeakPolarHBondContact O-CB 3.19Å; K150-A154 PolarHBondContact O-N 2.82Å; K151-A154 PolarHBondContact O-N 3.23Å; A154-L156 VanDerWaalsContact C-N 3.33Å; A154-L156 PolarHBondContact O-N 2.93Å; A154-C157 WeakPolarHBondContact O-CB 3.49Å; A154-C157 PolarHBondContact O-N 3.23Å; A154-E158 WeakPolarHBondContact O-CG 3.42Å; A154-E158 PolarHBondContact O-N 3.29Å; A154-I167 HydrophobicContact CB-CD1 3.95Å
155	K	98.3	Very high	98	Very high	143 Å²	143	62.4 Å²	62.4	62%	0.622	34%	0.338	S	S	*	.	H	α-helix	trans	-62.4	-38.5	174.1	-70.3	-178.9	-179.2	-177.5	0	112.5	K151 K152 F153 E158 A159	K151-K155 WeakPolarHBondContact O-CG 3.39Å; K151-K155 PolarHBondContact O-N 3.28Å; K152-K155 PolarHBondContact O-N 3.29Å; F153-K155 VanDerWaalsContact C-N 3.33Å; F153-K155 PolarHBondContact O-N 3.04Å; K155-E158 PolarHBondContact O-N 3.05Å; K155-A159 WeakPolarHBondContact O-CB 3.42Å; K155-A159 PolarHBondContact O-N 3.24Å
156	L	97.8	Very high	98	Very high	32 Å²	32	62.5 Å²	62.5	17%	0.168	34%	0.338	C	S	.	.	H	α-helix	trans	-66.6	-38.8	175.2	-70.6	170.6	0	0	0	111.7	K113 M121 M136 K152 F153 A154 A159 H160	K113-L156 HydrophobicContact CD-CD1 4.13Å; M121-L156 HydrophobicContact SD-CD1 3.43Å; M121-L156 WeakPolarHBondContact SD-CD1 3.4Å; M136-L156 HydrophobicContact CE-CB 3.93Å; K152-L156 PolarHBondContact O-N 2.91Å; F153-L156 WeakPolarHBondContact O-CB 2.97Å; F153-L156 PolarHBondContact O-N 2.77Å; F153-L156 VanDerWaalsContact O-N 3.09Å; A154-L156 VanDerWaalsContact C-N 3.33Å; A154-L156 PolarHBondContact O-N 2.93Å; L156-A159 PolarHBondContact O-N 3.33Å; L156-H160 PolarHBondContact O-N 3.45Å; L156-H160 VanDerWaalsContact O-N 3.15Å; L156-H160 PolarHBondContact O-ND1 3.04Å
157	C	98.5	Very high	98	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-60	-47.7	174	-63.8	0	0	0	0	111.3	A44 M136 F153 A154 A159 H160 G161 I162 I167	A44-C157 HydrophobicContact CB-CB 4.44Å; M136-C157 HydrophobicContact SD-CB 4.34Å; F153-C157 WeakPolarHBondContact CE1-SG 3.38Å; F153-C157 PolarHBondContact O-N 2.92Å; F153-C157 PolarHBondContact O-SG 3.15Å; A154-C157 WeakPolarHBondContact O-CB 3.49Å; A154-C157 PolarHBondContact O-N 3.23Å; C157-A159 VanDerWaalsContact C-N 3.29Å; C157-A159 PolarHBondContact O-N 3.17Å; C157-H160 CarbonylContact O-C 3.36Å; C157-H160 PolarHBondContact O-N 3.46Å; C157-G161 PolarHBondContact O-N 3.32Å; C157-I162 CarbonylContact C-O 3.54Å; C157-I162 HydrophobicContact CB-CB 4.16Å; C157-I162 PolarHBondContact O-N 3.41Å; C157-I167 HydrophobicContact CB-CD1 3.77Å; C157-I167 HydrophobicContact CB-CG1 4.38Å
158	E	98.4	Very high	98.1	Very high	79 Å²	79	59.2 Å²	59.2	37%	0.369	31%	0.311	S	S	.	.	H	α-helix	trans	-59.2	-40.4	176.7	-70	174.6	143.6	0	0	111.5	A154 K155 H160 G161 I162 R164	A154-E158 WeakPolarHBondContact O-CG 3.42Å; A154-E158 PolarHBondContact O-N 3.29Å; K155-E158 PolarHBondContact O-N 3.05Å; E158-H160 PolarHBondContact O-N 3.03Å; E158-G161 PolarHBondContact O-N 3.37Å; E158-I162 WeakPolarHBondContact CA-O 3.47Å; E158-I162 PolarHBondContact N-O 3.42Å; E158-R164 HydrophobicContact CG-CG 4.36Å; E158-R164 WeakPolarHBondContact OE1-CD 3.45Å; E158-R164 VanDerWaalsContact OE1-CG 3.26Å; E158-R164 WeakPolarHBondContact OE1-CG 3.4Å; E158-R164 IonicContact OE1-CZ 3.85Å; E158-R164 VanDerWaalsContact OE1-CZ 3.29Å; E158-R164 IonicContact OE1-NE 3.98Å; E158-R164 PolarHBondContact OE1-NE 3.43Å; E158-R164 IonicContact OE1-NH2 3.2Å; E158-R164 PolarHBondContact OE1-NH2 3.09Å; E158-R164 IonicContact OE2-CZ 3.21Å; E158-R164 IonicContact OE2-NE 2.79Å; E158-R164 IonicContact OE2-NH2 3.9Å; E158-R164 PolarHBondContact OE2-NH2 3.45Å
159	A	97.8	Very high	98.1	Very high	82 Å²	82	56.4 Å²	56.4	68%	0.678	30%	0.295	S	S	*	.	H	α-helix	trans	-65.3	-23.9	176.2	0	0	0	0	0	113.8	K155 L156 C157	K155-A159 WeakPolarHBondContact O-CB 3.42Å; K155-A159 PolarHBondContact O-N 3.24Å; L156-A159 PolarHBondContact O-N 3.33Å; C157-A159 VanDerWaalsContact C-N 3.29Å; C157-A159 PolarHBondContact O-N 3.17Å
160	H	97.4	Very high	98.2	Very high	57 Å²	57	54.8 Å²	54.8	26%	0.264	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	10.2	173.8	-68	77	0	0	0	112.8	H123 Q134 M136 L156 C157 E158	H123-H160 AromaticContact CD2-CD2 3.93Å; H123-H160 AromaticContact CE1-CD2 3.76Å; H123-H160 AromaticContact ND1-CD2 3.99Å; H123-H160 AromaticContact NE2-CD2 3.7Å; Q134-H160 PolarHBondContact NE2-O 3.38Å; M136-H160 HydrophobicContact SD-CB 3.83Å; L156-H160 PolarHBondContact O-N 3.45Å; L156-H160 VanDerWaalsContact O-N 3.15Å; L156-H160 PolarHBondContact O-ND1 3.04Å; C157-H160 CarbonylContact O-C 3.36Å; C157-H160 PolarHBondContact O-N 3.46Å; E158-H160 PolarHBondContact O-N 3.03Å
161	G	97.8	Very high	98.1	Very high	58 Å²	58	54.2 Å²	54.2	60%	0.598	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	15.6	177.8	0	0	0	0	0	114.7	C157 E158	C157-G161 PolarHBondContact O-N 3.32Å; E158-G161 PolarHBondContact O-N 3.37Å
162	I	98.5	Very high	97.9	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.005	30%	0.298	C	S	.	.			trans	-93.4	114.7	172.2	-53.5	174.1	0	0	0	108.6	A44 N46 Q134 M136 C157 E158 N166	A44-I162 HydrophobicContact CB-CD1 4.44Å; A44-I162 HydrophobicContact CB-CG2 4.03Å; N46-I162 HydrophobicContact CB-CG1 4.38Å; Q134-I162 HydrophobicContact CB-CD1 4.25Å; M136-I162 HydrophobicContact CB-CD1 4.38Å; M136-I162 HydrophobicContact CG-CD1 3.86Å; M136-I162 HydrophobicContact SD-CD1 3.91Å; C157-I162 CarbonylContact C-O 3.54Å; C157-I162 HydrophobicContact CB-CB 4.16Å; C157-I162 PolarHBondContact O-N 3.41Å; E158-I162 WeakPolarHBondContact CA-O 3.47Å; E158-I162 PolarHBondContact N-O 3.42Å; I162-N166 HydrophobicContact CG2-CB 3.91Å
163	T	97.9	Very high	97.8	Very high	71 Å²	71	55.9 Å²	55.9	44%	0.436	30%	0.299	S	S	.	.			trans	-72.3	154.9	-178.6	55.6	0	0	0	0	112	D165 N166	T163-D165 VanDerWaalsContact C-N 3.28Å; T163-D165 WeakPolarHBondContact CB-OD1 3.5Å; T163-D165 PolarHBondContact O-N 3.21Å; T163-D165 PolarHBondContact OG1-OD1 2.92Å; T163-N166 WeakPolarHBondContact O-CA 3.35Å; T163-N166 WeakPolarHBondContact O-CB 3.15Å; T163-N166 PolarHBondContact O-N 3.33Å; T163-N166 PolarHBondContact OG1-ND2 3.39Å
164	R	97.7	Very high	97.7	Very high	161 Å²	161	60 Å²	60	61%	0.608	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-61.9	-31	-174.4	-72.3	-167.9	-178.8	171.1	7.3	115	E158 N166 I167	E158-R164 HydrophobicContact CG-CG 4.36Å; E158-R164 WeakPolarHBondContact OE1-CD 3.45Å; E158-R164 VanDerWaalsContact OE1-CG 3.26Å; E158-R164 WeakPolarHBondContact OE1-CG 3.4Å; E158-R164 IonicContact OE1-CZ 3.85Å; E158-R164 VanDerWaalsContact OE1-CZ 3.29Å; E158-R164 IonicContact OE1-NE 3.98Å; E158-R164 PolarHBondContact OE1-NE 3.43Å; E158-R164 IonicContact OE1-NH2 3.2Å; E158-R164 PolarHBondContact OE1-NH2 3.09Å; E158-R164 IonicContact OE2-CZ 3.21Å; E158-R164 IonicContact OE2-NE 2.79Å; E158-R164 IonicContact OE2-NH2 3.9Å; E158-R164 PolarHBondContact OE2-NH2 3.45Å; R164-N166 PolarHBondContact O-N 3.5Å; R164-I167 PolarHBondContact O-N 2.91Å
165	D	97.8	Very high	97.5	Very high	101 Å²	101	60.1 Å²	60.1	54%	0.54	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-55.1	-40.1	173.9	52.4	-59.1	0	0	0	109.5	R48 T163 I167	R48-D165 PolarHBondContact NH1-O 2.9Å; T163-D165 VanDerWaalsContact C-N 3.28Å; T163-D165 WeakPolarHBondContact CB-OD1 3.5Å; T163-D165 PolarHBondContact O-N 3.21Å; T163-D165 PolarHBondContact OG1-OD1 2.92Å; D165-I167 PolarHBondContact O-N 3.03Å; D165-I167 VanDerWaalsContact O-N 3.16Å
166	N	98.5	Very high	97.4	Very high	22 Å²	22	53.5 Å²	53.5	12%	0.118	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-81	19.9	-178.8	-68.5	-41.7	0	0	0	116.1	A44 S45 R48 I162 T163 R164	A44-N166 VanDerWaalsContact CA-O 3.28Å; A44-N166 WeakPolarHBondContact CA-O 3.28Å; S45-N166 PolarHBondContact N-O 3.34Å; S45-N166 VanDerWaalsContact O-CB 3.27Å; S45-N166 WeakPolarHBondContact O-CB 3.49Å; R48-N166 WeakPolarHBondContact CB-OD1 3.49Å; R48-N166 WeakPolarHBondContact CG-OD1 3.3Å; R48-N166 PolarHBondContact NH1-OD1 3.16Å; I162-N166 HydrophobicContact CG2-CB 3.91Å; T163-N166 WeakPolarHBondContact O-CA 3.35Å; T163-N166 WeakPolarHBondContact O-CB 3.15Å; T163-N166 PolarHBondContact O-N 3.33Å; T163-N166 PolarHBondContact OG1-ND2 3.39Å; R164-N166 PolarHBondContact O-N 3.5Å
167	I	98.6	Very high	97.1	Very high	36 Å²	36	54.3 Å²	54.3	19%	0.185	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	125.7	175.6	-54.9	-178.7	0	0	0	109.1	V42 A44 A154 C157 R164 D165	V42-I167 HydrophobicContact CG1-CG2 3.31Å; A44-I167 HydrophobicContact CB-CB 4.38Å; A44-I167 HydrophobicContact CB-CG1 3.86Å; A44-I167 HydrophobicContact CB-CG2 4.45Å; A154-I167 HydrophobicContact CB-CD1 3.95Å; C157-I167 HydrophobicContact CB-CD1 3.77Å; C157-I167 HydrophobicContact CB-CG1 4.38Å; R164-I167 PolarHBondContact O-N 2.91Å; D165-I167 PolarHBondContact O-N 3.03Å; D165-I167 VanDerWaalsContact O-N 3.16Å
168	I	98.5	Very high	96.5	Very high	23 Å²	23	63.6 Å²	63.6	12%	0.118	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	119.9	-179.2	-58.3	178.5	0	0	0	109.8	V42 V43 I51 L170	V42-I168 WeakPolarHBondContact CA-O 3.38Å; V42-I168 WeakPolarHBondContact CG1-O 3.27Å; V43-I168 HydrophobicContact CG1-CB 4.02Å; V43-I168 PolarHBondContact N-O 3.42Å; V43-I168 PolarHBondContact O-N 3.12Å; I51-I168 HydrophobicContact CB-CD1 4.35Å; I51-I168 HydrophobicContact CD1-CD1 3.73Å; I51-I168 HydrophobicContact CD1-CG1 3.96Å; I51-I168 HydrophobicContact CG1-CD1 3.78Å; I51-I168 WeakPolarHBondContact O-CD1 3.42Å; I168-L170 HydrophobicContact CG2-CD2 3.92Å; I168-L170 PolarHBondContact O-N 3.19Å
169	D	98.5	Very high	95.3	Very high	45 Å²	45	62.7 Å²	62.7	24%	0.241	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	101.5	169.6	-171.6	-0.8	0	0	0	109.6	K150 T171	K150-D169 IonicContact NZ-OD1 3.74Å; K150-D169 PolarHBondContact NZ-OD1 3.23Å; K150-D169 IonicContact NZ-OD2 3.96Å; K150-D169 PolarHBondContact NZ-OD2 3.18Å; D169-T171 PolarHBondContact O-N 3.14Å; D169-T171 WeakPolarHBondContact OD1-CG2 3.41Å; D169-T171 PolarHBondContact OD1-N 3.16Å; D169-T171 PolarHBondContact OD1-OG1 2.87Å
170	L	98.5	Very high	94.3	Very high	2 Å²	2	61 Å²	61	1%	0.01	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-73.3	-14.8	-175.8	-63.6	174.1	0	0	0	112.1	I41 V43 F60 I168 K172 T173 R175	I41-L170 WeakPolarHBondContact O-CB 3.41Å; I41-L170 PolarHBondContact O-N 3.3Å; V43-L170 HydrophobicContact CB-CD1 4Å; V43-L170 HydrophobicContact CG1-CD1 3.78Å; V43-L170 HydrophobicContact CG1-CD2 3.89Å; V43-L170 HydrophobicContact CG1-CG 3.87Å; F60-L170 HydrophobicContact CE1-CD2 4.37Å; I168-L170 HydrophobicContact CG2-CD2 3.92Å; I168-L170 PolarHBondContact O-N 3.19Å; L170-K172 PolarHBondContact O-N 3.06Å; L170-K172 VanDerWaalsContact O-N 3.11Å; L170-T173 PolarHBondContact O-N 2.97Å; L170-T173 PolarHBondContact O-OG1 3.23Å; L170-R175 HydrophobicContact CB-CG 4.26Å; L170-R175 WeakPolarHBondContact O-CD 3.15Å; L170-R175 WeakPolarHBondContact O-CG 3.36Å; L170-R175 PolarHBondContact O-NE 3.3Å
171	T	97.6	Very high	92.5	Very high	25 Å²	25	64.8 Å²	64.8	15%	0.153	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-67.2	-15.9	-176.8	79.5	0	0	0	0	113.7	I41 D144 K150 D169	I41-T171 HydrophobicContact CB-CG2 4.31Å; I41-T171 HydrophobicContact CD1-CG2 4.38Å; I41-T171 HydrophobicContact CG2-CG2 3.65Å; D144-T171 HydrophobicContact CB-CG2 4.24Å; D144-T171 VanDerWaalsContact OD1-CG2 3.31Å; D144-T171 WeakPolarHBondContact OD1-CG2 3.5Å; D144-T171 WeakPolarHBondContact OD2-CB 3.48Å; D144-T171 PolarHBondContact OD2-OG1 2.85Å; K150-T171 PolarHBondContact NZ-OG1 2.88Å; K150-T171 VanDerWaalsContact NZ-OG1 3.16Å; D169-T171 PolarHBondContact O-N 3.14Å; D169-T171 WeakPolarHBondContact OD1-CG2 3.41Å; D169-T171 PolarHBondContact OD1-N 3.16Å; D169-T171 PolarHBondContact OD1-OG1 2.87Å
172	K	93.7	Very high	92.3	Very high	177 Å²	177	65.1 Å²	65.1	77%	0.77	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-96.7	11.8	176.2	-56	-179.3	-175.1	177.1	0	113.5	L170	L170-K172 PolarHBondContact O-N 3.06Å; L170-K172 VanDerWaalsContact O-N 3.11Å
173	T	95.3	Very high	91.9	Very high	42 Å²	42	68.5 Å²	68.5	26%	0.258	38%	0.381	S	S	.	.	S	Bend	trans	-123.9	162.4	-175.8	73.5	0	0	0	0	110.9	L170 R175	L170-T173 PolarHBondContact O-N 2.97Å; L170-T173 PolarHBondContact O-OG1 3.23Å; T173-R175 PolarHBondContact O-N 3.26Å; T173-R175 VanDerWaalsContact O-N 3.15Å
174	D	95.2	Very high	91.6	Very high	87 Å²	87	68.3 Å²	68.3	47%	0.465	38%	0.378	S	S	.	.			trans	-70.9	106.8	168.5	176.8	17.5	0	0	0	110.1	F60 K78 C176	F60-D174 WeakPolarHBondContact CZ-O 3.22Å; K78-D174 IonicContact NZ-OD2 3.76Å; K78-D174 PolarHBondContact NZ-OD2 3.06Å; D174-C176 PolarHBondContact OD1-N 2.92Å
175	R	95.9	Very high	91.2	Very high	19 Å²	19	62.9 Å²	62.9	7%	0.072	36%	0.364	C	S	.	.			trans	-98	25.4	179.4	-62.9	176.1	-75.6	171.6	-2.8	112.7	S40 F60 K143 L170 T173 L177	S40-R175 VanDerWaalsContact O-CD 3.29Å; S40-R175 WeakPolarHBondContact O-CD 3.48Å; S40-R175 PolarHBondContact O-NH1 3.38Å; F60-R175 HydrophobicContact CB-CB 4.36Å; F60-R175 HydrophobicContact CD1-CB 3.7Å; F60-R175 HydrophobicContact CD1-CG 3.7Å; F60-R175 HydrophobicContact CE1-CB 4.12Å; F60-R175 HydrophobicContact CE1-CG 3.84Å; F60-R175 HydrophobicContact CG-CB 3.98Å; F60-R175 HydrophobicContact CG-CG 4.47Å; K143-R175 VanDerWaalsContact O-CZ 3.26Å; K143-R175 PolarHBondContact O-NH1 3.15Å; K143-R175 PolarHBondContact O-NH2 3.42Å; L170-R175 HydrophobicContact CB-CG 4.26Å; L170-R175 WeakPolarHBondContact O-CD 3.15Å; L170-R175 WeakPolarHBondContact O-CG 3.36Å; L170-R175 PolarHBondContact O-NE 3.3Å; T173-R175 PolarHBondContact O-N 3.26Å; T173-R175 VanDerWaalsContact O-N 3.15Å; R175-L177 HydrophobicContact CB-CD2 4.1Å; R175-L177 HydrophobicContact CB-CG 4.05Å; R175-L177 PolarHBondContact O-N 2.86Å; R175-L177 VanDerWaalsContact O-N 3.09Å
176	C	95.2	Very high	90.8	Very high	3 Å²	3	60.5 Å²	60.5	2%	0.02	35%	0.353	C	S	.	.	S	Bend	trans	56	30.4	-179.3	-61.2	0	0	0	0	113.8	F60 R76 C83 D174 Q178	F60-C176 HydrophobicContact CD2-CB 4.26Å; R76-C176 HydrophobicContact CB-CB 4.02Å; R76-C176 HydrophobicContact CG-CB 4.48Å; R76-C176 PolarHBondContact NH1-O 2.61Å; C83-C176 HydrophobicContact CB-CB 3.63Å; C83-C176 WeakPolarHBondContact CB-SG 3.17Å; C83-C176 VanDerWaalsContact SG-CA 3.55Å; C83-C176 WeakPolarHBondContact SG-CB 2.99Å; C83-C176 CovalentContact SG-SG 2.03Å; C83-C176 PolarHBondContact SG-SG 2.99Å; D174-C176 PolarHBondContact OD1-N 2.92Å; C176-Q178 VanDerWaalsContact C-N 3.34Å; C176-Q178 PolarHBondContact O-N 3.21Å
177	L	92.4	Very high	90.3	Very high	49 Å²	49	63.1 Å²	63.1	26%	0.257	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-67.9	-32.4	-172	-63.7	-178.6	0	0	0	112.9	F39 K143 R175 A179 R180	F39-L177 HydrophobicContact CD1-CD2 3.88Å; F39-L177 HydrophobicContact CE1-CD2 4.13Å; K143-L177 HydrophobicContact CD-CD1 4.33Å; R175-L177 HydrophobicContact CB-CD2 4.1Å; R175-L177 HydrophobicContact CB-CG 4.05Å; R175-L177 PolarHBondContact O-N 2.86Å; R175-L177 VanDerWaalsContact O-N 3.09Å; L177-A179 VanDerWaalsContact C-N 3.28Å; L177-A179 PolarHBondContact O-N 3.07Å; L177-R180 WeakPolarHBondContact O-CB 3.45Å; L177-R180 WeakPolarHBondContact O-CG 3.26Å; L177-R180 PolarHBondContact O-N 3.16Å
178	Q	85.4	Confident	89.7	Confident	196 Å²	196	65 Å²	65	92%	0.916	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-67.6	-29.2	-176.2	-72.2	-174.9	-19.4	0	0	113.3	C176 R180	C176-Q178 VanDerWaalsContact C-N 3.34Å; C176-Q178 PolarHBondContact O-N 3.21Å; Q178-R180 VanDerWaalsContact C-N 3.35Å
179	A	73.6	Confident	89	Confident	59 Å²	59	68.2 Å²	68.2	49%	0.488	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-92.2	0.3	-179.1	0	0	0	0	0	111.7	R76 L177 G181	R76-A179 PolarHBondContact NH1-O 3.22Å; R76-A179 VanDerWaalsContact NH2-C 3.27Å; R76-A179 PolarHBondContact NH2-O 2.79Å; L177-A179 VanDerWaalsContact C-N 3.28Å; L177-A179 PolarHBondContact O-N 3.07Å; A179-G181 PolarHBondContact O-N 2.61Å
180	R	76.4	Confident	88.2	Confident	46 Å²	46	70.2 Å²	70.2	17%	0.174	42%	0.416	C	S	.	.			trans	-58.2	112.7	171.5	-66.1	-178.5	67.5	114.5	0.9	106.2	D37 W38 M61 Q62 R76 L177 Q178	D37-R180 IonicContact OD1-NH2 2.92Å; W38-R180 PolarHBondContact O-NH1 2.58Å; W38-R180 PolarHBondContact O-NH2 3.2Å; M61-R180 PolarHBondContact O-NH1 2.67Å; Q62-R180 PolarHBondContact O-NH2 3.48Å; R76-R180 VanDerWaalsContact NH1-N 3.16Å; L177-R180 WeakPolarHBondContact O-CB 3.45Å; L177-R180 WeakPolarHBondContact O-CG 3.26Å; L177-R180 PolarHBondContact O-N 3.16Å; Q178-R180 VanDerWaalsContact C-N 3.35Å
181	G	60.1	Low	87.3	Confident	137 Å²	137	76.4 Å²	76.4	100%	1.412	45%	0.453	S	S	*	.			trans	-66.9	0	173.8	0	0	0	0	0	111.9	A179	A179-G181 PolarHBondContact O-N 2.61Å

Retrieved 181 of 181 residues in 71.7 ms (Link to these results)

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