A0A096NXS7_PAPAN Loading...

Rerating family member 3 alpha

AlphaFold DB , UniProt , Accession A0A096NXS7, Species PAPAN (Papio anubis, Olive baboon), Gene REG3A, Length 175 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	46.5	Very low	48.8	Very low	245 Å²	245	147.5 Å²	147.5	100%	1.207	82%	0.817	S	S	*	*				0	107.7	0	-74.4	172.7	154.3	0	0	107.6
2	L	34.7	Very low	48.7	Very low	173 Å²	173	153.9 Å²	153.9	91%	0.906	82%	0.82	S	S	*	*			trans	-129.5	142.8	172.2	-102.7	115.9	0	0	0	107.7
3	P	40.8	Very low	49.3	Very low	109 Å²	109	154.1 Å²	154.1	71%	0.708	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-83.8	147.2	-165.8	29.8	-24.8	0	0	0	112.1	M5	P3-M5 PolarHBondContact O-N 3.3Å
4	R	47.8	Very low	49.5	Very low	254 Å²	254	151.7 Å²	151.7	96%	0.958	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-63.4	116.8	163.8	-78	179.8	170.7	-170.7	-2.8	108.5
5	M	42.5	Very low	49.7	Very low	179 Å²	179	148.7 Å²	148.7	88%	0.882	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-84.8	116.4	162.7	-71.6	-165.3	-80.5	0	0	108.5	P3 L7	P3-M5 PolarHBondContact O-N 3.3Å; M5-L7 PolarHBondContact O-N 3.48Å
6	A	52.5	Low	50	Low	97 Å²	97	143.7 Å²	143.7	80%	0.802	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-69	122.1	167.5	0	0	0	0	0	108.7
7	L	50.9	Low	50.1	Low	167 Å²	167	140.3 Å²	140.3	87%	0.874	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-72.5	131.4	167.6	-87.8	139.9	0	0	0	108.8	M5 S9	M5-L7 PolarHBondContact O-N 3.48Å; L7-S9 PolarHBondContact O-N 2.83Å
8	P	47.2	Very low	50.4	Low	102 Å²	102	139 Å²	139	66%	0.662	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-72.6	127.5	-179.5	27.5	-30.4	0	0	0	110.6	V10	P8-V10 HydrophobicContact CB-CG2 4.09Å; P8-V10 PolarHBondContact O-N 3.41Å
9	S	59.4	Low	50.9	Low	119 Å²	119	139.3 Å²	139.3	83%	0.832	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	26.5	174.5	175.4	0	0	0	0	114.6	L7	L7-S9 PolarHBondContact O-N 2.83Å
10	V	56.8	Low	51	Low	95 Å²	95	139.6 Å²	139.6	58%	0.576	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	-5.8	-171.5	-168.4	0	0	0	0	111.8	P8 W12	P8-V10 HydrophobicContact CB-CG2 4.09Å; P8-V10 PolarHBondContact O-N 3.41Å; V10-W12 PolarHBondContact O-N 3.36Å
11	S	57.5	Low	51	Low	83 Å²	83	139.9 Å²	139.9	58%	0.58	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	-12.5	-174	-166.8	0	0	0	0	115.2	L15	S11-L15 WeakPolarHBondContact O-CD1 3.46Å
12	W	47.9	Very low	51.4	Low	224 Å²	224	131.9 Å²	131.9	85%	0.848	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.6	-13.1	-173.1	-77.8	11.9	0	0	0	115.5	V10	V10-W12 PolarHBondContact O-N 3.36Å
13	M	55.9	Low	52.4	Low	156 Å²	156	131.1 Å²	131.1	77%	0.768	71%	0.708	S	S	*	*	H	α-helix	trans	-84.3	-20.3	171.6	-69.6	-158	-173.5	0	0	113.5	S16	M13-S16 PolarHBondContact O-OG 3.1Å; M13-S16 VanDerWaalsContact O-OG 3.1Å
14	L	52.8	Low	53	Low	121 Å²	121	132.5 Å²	132.5	63%	0.634	71%	0.714	S	S	*	*	H	α-helix	trans	-81.6	-22.7	177.6	-68.7	171.1	0	0	0	112.9
15	L	52.2	Low	53.3	Low	107 Å²	107	128.9 Å²	128.9	56%	0.56	71%	0.708	S	S	*	*	H	α-helix	trans	-81.5	-23.5	177.3	-79.9	158.2	0	0	0	113.1	S11	S11-L15 WeakPolarHBondContact O-CD1 3.46Å
16	S	54.1	Low	53.7	Low	68 Å²	68	123.5 Å²	123.5	48%	0.476	70%	0.698	S	S	.	*	H	α-helix	trans	-78.8	-32	175.9	56.8	0	0	0	0	113	M13 L18	M13-S16 PolarHBondContact O-OG 3.1Å; M13-S16 VanDerWaalsContact O-OG 3.1Å; S16-L18 VanDerWaalsContact C-N 3.31Å; S16-L18 PolarHBondContact O-N 3.45Å
17	C	53.1	Low	53.4	Low	86 Å²	86	128 Å²	128	58%	0.581	70%	0.702	S	S	*	*	H	α-helix	trans	-68.1	-27.6	175.5	-102.2	0	0	0	0	113.5
18	L	55.2	Low	53.4	Low	117 Å²	117	128.4 Å²	128.4	61%	0.613	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-17.7	-177.8	-72.8	166.4	0	0	0	113.6	S16	S16-L18 VanDerWaalsContact C-N 3.31Å; S16-L18 PolarHBondContact O-N 3.45Å
19	M	58.7	Low	53.4	Low	144 Å²	144	130.3 Å²	130.3	71%	0.709	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	-4	-179.3	-58.6	-61.7	-78.3	0	0	113.7
20	L	54	Low	53.1	Low	145 Å²	145	132 Å²	132	76%	0.759	70%	0.699	S	S	*	*	S	Bend	trans	-101.7	-9.3	175.7	-83.1	155	0	0	0	113.4
21	L	50.5	Low	52.8	Low	146 Å²	146	135.9 Å²	135.9	76%	0.764	71%	0.708	S	S	*	*	G	3₁₀ helix	trans	-83.1	-9.4	175.3	-70.8	168.8	0	0	0	113.4
22	S	54.2	Low	52.6	Low	77 Å²	77	139 Å²	139	54%	0.538	71%	0.713	S	S	.	*	G	3₁₀ helix	trans	-95.3	14.9	-175.6	64	0	0	0	0	115
23	Q	57.1	Low	52.8	Low	158 Å²	158	135.1 Å²	135.1	74%	0.738	71%	0.708	S	S	*	*	G	3₁₀ helix	trans	-125.4	16.4	-177.8	-67.8	-73.3	-89.7	0	0	115	Q25	Q23-Q25 PolarHBondContact O-N 3.43Å
24	V	53.5	Low	52.6	Low	137 Å²	137	133 Å²	133	83%	0.83	71%	0.706	S	S	*	*			trans	-96.3	71.9	159.9	178.7	0	0	0	0	108.6	G26	V24-G26 VanDerWaalsContact C-N 3.27Å; V24-G26 PolarHBondContact O-N 3.01Å
25	Q	53.7	Low	52.9	Low	179 Å²	179	132.1 Å²	132.1	84%	0.836	71%	0.71	S	S	*	*			trans	-83.9	85.9	151.7	-83.8	177.5	-26.1	0	0	106.1	Q23 E27	Q23-Q25 PolarHBondContact O-N 3.43Å; Q25-E27 PolarHBondContact O-N 3.36Å
26	G	51.2	Low	53.5	Low	66 Å²	66	131 Å²	131	68%	0.68	72%	0.717	S	S	*	*			trans	-66.9	93.2	158	0	0	0	0	0	107	V24 E28	V24-G26 VanDerWaalsContact C-N 3.27Å; V24-G26 PolarHBondContact O-N 3.01Å; G26-E28 PolarHBondContact O-N 2.93Å
27	E	46.4	Very low	54.3	Low	190 Å²	190	138.9 Å²	138.9	89%	0.888	74%	0.736	S	S	*	*			trans	-68.6	87.3	160.7	-127.1	176.4	172.9	0	0	105.8	Q25 L29	Q25-E27 PolarHBondContact O-N 3.36Å; E27-L29 PolarHBondContact O-N 2.89Å
28	E	51	Low	55.8	Low	177 Å²	177	137.7 Å²	137.7	83%	0.827	72%	0.723	S	S	*	*			trans	-63.2	98.4	163.1	-170.1	168.1	-170.2	0	0	105.2	G26 Q30	G26-E28 PolarHBondContact O-N 2.93Å; E28-Q30 PolarHBondContact O-N 2.67Å
29	L	45.5	Very low	57.5	Low	142 Å²	142	142 Å²	142	74%	0.743	73%	0.731	S	S	*	*			trans	-57	92.3	169.7	-179.3	73.1	0	0	0	105.9	E27 K31	E27-L29 PolarHBondContact O-N 2.89Å; L29-K31 PolarHBondContact O-N 2.71Å
30	Q	53.5	Low	59.3	Low	155 Å²	155	136.8 Å²	136.8	72%	0.724	71%	0.708	S	S	*	*			trans	-60.4	81.9	159	-77.4	-171.1	-64.7	0	0	105.6	E28 E32	E28-Q30 PolarHBondContact O-N 2.67Å; Q30-E32 PolarHBondContact O-N 2.71Å
31	K	50.7	Low	61.2	Low	176 Å²	176	131.7 Å²	131.7	77%	0.765	68%	0.684	S	S	*	*			trans	-67.4	81.3	157.6	-143.1	-178.2	-171	178.5	0	103.2	L29 L33	L29-K31 PolarHBondContact O-N 2.71Å; K31-L33 PolarHBondContact O-N 2.8Å
32	E	52.9	Low	63.3	Low	148 Å²	148	135 Å²	135	69%	0.692	69%	0.692	S	S	*	*			trans	-52.5	89.2	159.1	-80.6	-79.6	143.9	0	0	104.9	Q30	Q30-E32 PolarHBondContact O-N 2.71Å
33	L	53.6	Low	65.2	Low	143 Å²	143	134.8 Å²	134.8	75%	0.749	70%	0.703	S	S	*	*			trans	-53.6	125.8	166.7	-169.4	75.9	0	0	0	103.8	K31 S35	K31-L33 PolarHBondContact O-N 2.8Å; L33-S35 PolarHBondContact O-N 2.7Å
34	P	51.5	Low	67.1	Low	112 Å²	112	128.1 Å²	128.1	73%	0.727	67%	0.673	S	S	*	*			trans	-53.2	111.3	-176.3	-19.6	27.6	0	0	0	106.8	A36	P34-A36 VanDerWaalsContact C-N 3.26Å; P34-A36 PolarHBondContact O-N 2.77Å
35	S	58.3	Low	69.2	Low	101 Å²	101	127.8 Å²	127.8	71%	0.706	66%	0.661	S	S	*	*			trans	-53.9	99.6	178.6	163.4	0	0	0	0	105.7	L33 R37	L33-S35 PolarHBondContact O-N 2.7Å; S35-R37 VanDerWaalsContact C-N 3.35Å; S35-R37 PolarHBondContact O-N 3.39Å
36	A	64.4	Low	71.3	Confident	85 Å²	85	121.6 Å²	121.6	70%	0.702	64%	0.64	S	S	*	*			trans	-58.1	106.7	178.5	0	0	0	0	0	104.7	P34 I38	P34-A36 VanDerWaalsContact C-N 3.26Å; P34-A36 PolarHBondContact O-N 2.77Å; A36-I38 PolarHBondContact O-N 2.81Å
37	R	72.3	Confident	73.4	Confident	232 Å²	232	122.1 Å²	122.1	88%	0.875	62%	0.622	S	S	*	*			trans	-61.2	109.1	-178.1	-73.7	-172.7	-174.9	-175.6	2.4	106.1	S35 R39	S35-R37 VanDerWaalsContact C-N 3.35Å; S35-R37 PolarHBondContact O-N 3.39Å; R37-R39 PolarHBondContact O-N 3.29Å
38	I	84.1	Confident	75.7	Confident	61 Å²	61	116.1 Å²	116.1	31%	0.313	61%	0.611	S	S	.	*	P	Polyproline II helix	trans	-59.2	131.1	177.1	-75.2	155.1	0	0	0	108.2	A36 G48 S49	A36-I38 PolarHBondContact O-N 2.81Å; I38-G48 WeakPolarHBondContact CD1-O 3.44Å; I38-S49 WeakPolarHBondContact CD1-O 3.13Å
39	R	90.8	Very high	77.8	Confident	208 Å²	208	111.2 Å²	111.2	79%	0.785	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-92.8	119.9	175.3	-72	-174.2	-75.9	-117.6	-0.3	106.3	R37 D175	R37-R39 PolarHBondContact O-N 3.29Å; R39-D175 VanDerWaalsContact O-OD2 3.09Å
40	C	95.8	Very high	80.3	Confident	34 Å²	34	106.9 Å²	106.9	23%	0.23	57%	0.572	C	S	.	*	P	Polyproline II helix	trans	-101.4	143.3	177	-70.1	0	0	0	0	110.2	S44 A46 C51	C40-S44 VanDerWaalsContact CB-OG 3.31Å; C40-S44 WeakPolarHBondContact CB-OG 3.39Å; C40-A46 VanDerWaalsContact SG-CA 3.52Å; C40-A46 VanDerWaalsContact SG-CB 3.54Å; C40-C51 WeakPolarHBondContact CA-SG 3.41Å; C40-C51 HydrophobicContact CB-CB 3.8Å; C40-C51 WeakPolarHBondContact CB-SG 3.39Å; C40-C51 WeakPolarHBondContact SG-CA 3.43Å; C40-C51 WeakPolarHBondContact SG-CB 3.41Å; C40-C51 CovalentContact SG-SG 2.04Å; C40-C51 PolarHBondContact SG-SG 2.63Å
41	P	95.1	Very high	82.4	Confident	39 Å²	39	99.5 Å²	99.5	25%	0.253	54%	0.538	S	S	.	.	P	Polyproline II helix	trans	-54	151.8	175.4	-27.1	34.3	0	0	0	112.5	G43 S44 F173	P41-G43 PolarHBondContact O-N 2.88Å; P41-S44 PolarHBondContact O-N 2.83Å; P41-S44 PolarHBondContact O-OG 2.94Å; P41-F173 HydrophobicContact CG-CE2 4.11Å
42	K	94.6	Very high	84.7	Confident	215 Å²	215	91.3 Å²	91.3	94%	0.935	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	132.4	177	-175.5	177.5	176.5	-179.8	0	110.7
43	G	93.5	Very high	86.8	Confident	73 Å²	73	84.5 Å²	84.5	75%	0.753	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.3	1	-177.1	0	0	0	0	0	114.6	P41	P41-G43 PolarHBondContact O-N 2.88Å
44	S	97.1	Very high	89	Confident	17 Å²	17	79.9 Å²	79.9	12%	0.119	45%	0.447	C	S	.	.			trans	-118.8	165.6	171.8	64.9	0	0	0	0	111.9	C40 P41 Y52	C40-S44 VanDerWaalsContact CB-OG 3.31Å; C40-S44 WeakPolarHBondContact CB-OG 3.39Å; P41-S44 PolarHBondContact O-N 2.83Å; P41-S44 PolarHBondContact O-OG 2.94Å; S44-Y52 CarbonylContact C-O 3.49Å; S44-Y52 WeakPolarHBondContact CA-O 3.37Å; S44-Y52 WeakPolarHBondContact CB-O 3.44Å
45	K	97.4	Very high	91.2	Very high	131 Å²	131	77.3 Å²	77.3	57%	0.57	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125	139	-178.7	-62.3	-63.3	-175.4	178.5	0	109.8	Y52 F87 L91	K45-Y52 PolarHBondContact N-O 3.2Å; K45-Y52 PolarHBondContact O-N 3.45Å; K45-F87 HydrophobicContact CB-CE2 4.23Å; K45-F87 HydrophobicContact CB-CZ 3.84Å; K45-L91 HydrophobicContact CB-CD2 3.86Å; K45-L91 HydrophobicContact CG-CD2 3.58Å
46	A	97	Very high	93.1	Very high	49 Å²	49	77 Å²	77	41%	0.405	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	138.4	175.8	0	0	0	0	0	110.8	C40 H50	C40-A46 VanDerWaalsContact SG-CA 3.52Å; C40-A46 VanDerWaalsContact SG-CB 3.54Å; A46-H50 WeakPolarHBondContact CA-O 3.43Å
47	Y	96.8	Very high	94.7	Very high	76 Å²	76	76.8 Å²	76.8	30%	0.298	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	123.7	165.1	178.6	-90.7	0	0	0	109.7	S49 H50 Y52 A83 E84 F87	Y47-S49 PolarHBondContact O-N 3.02Å; Y47-H50 PolarHBondContact N-O 3.37Å; Y47-H50 PolarHBondContact O-N 3.02Å; Y47-Y52 HydrophobicContact CD1-CE2 4.45Å; Y47-Y52 WeakPolarHBondContact O-CE2 3.37Å; Y47-A83 VanDerWaalsContact OH-C 3.22Å; Y47-A83 WeakPolarHBondContact OH-CB 3.48Å; Y47-E84 HydrophobicContact CD1-CB 4.43Å; Y47-E84 HydrophobicContact CD1-CG 4.27Å; Y47-E84 HydrophobicContact CE1-CB 3.76Å; Y47-E84 HydrophobicContact CE1-CG 4.08Å; Y47-E84 PolarHBondContact OH-N 3.37Å; Y47-F87 HydrophobicContact CD1-CD1 4.19Å; Y47-F87 HydrophobicContact CD1-CG 4.42Å; Y47-F87 HydrophobicContact CD2-CB 3.69Å; Y47-F87 HydrophobicContact CD2-CD1 4.05Å; Y47-F87 AromaticContact CD2-CD2 3.71Å; Y47-F87 HydrophobicContact CD2-CD2 3.71Å; Y47-F87 HydrophobicContact CD2-CE2 4.36Å; Y47-F87 AromaticContact CD2-CG 3.52Å; Y47-F87 HydrophobicContact CD2-CG 3.52Å; Y47-F87 HydrophobicContact CE2-CB 3.86Å; Y47-F87 HydrophobicContact CE2-CG 4.22Å; Y47-F87 HydrophobicContact CG-CB 4.11Å; Y47-F87 AromaticContact CG-CD1 3.66Å; Y47-F87 HydrophobicContact CG-CD1 3.66Å; Y47-F87 HydrophobicContact CG-CD2 4.06Å; Y47-F87 HydrophobicContact CG-CE1 4.07Å; Y47-F87 HydrophobicContact CG-CE2 4.42Å; Y47-F87 AromaticContact CG-CG 3.65Å; Y47-F87 HydrophobicContact CG-CG 3.65Å; Y47-F87 HydrophobicContact CG-CZ 4.43Å
48	G	93.9	Very high	96	Very high	64 Å²	64	67.5 Å²	67.5	66%	0.66	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	-130.4	-170.1	0	0	0	0	0	110.9	I38	I38-G48 WeakPolarHBondContact CD1-O 3.44Å
49	S	94.5	Very high	96.7	Very high	74 Å²	74	67.1 Å²	67.1	52%	0.517	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	10.5	-178.7	63	0	0	0	0	115.7	I38 Y47	I38-S49 WeakPolarHBondContact CD1-O 3.13Å; Y47-S49 PolarHBondContact O-N 3.02Å
50	H	97.5	Very high	97.1	Very high	52 Å²	52	58 Å²	58	24%	0.241	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	161.7	-168.6	-60	90.2	0	0	0	113.3	A46 Y47 Y52 K172	A46-H50 WeakPolarHBondContact CA-O 3.43Å; Y47-H50 PolarHBondContact N-O 3.37Å; Y47-H50 PolarHBondContact O-N 3.02Å; H50-Y52 HydrophobicContact CB-CD2 4.48Å; H50-Y52 HydrophobicContact CB-CE2 3.65Å; H50-K172 HydrophobicContact CB-CG 4Å
51	C	98.3	Very high	97.2	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	142.6	171.7	-61.8	0	0	0	0	111	C40 K172 F173	C40-C51 WeakPolarHBondContact CA-SG 3.41Å; C40-C51 HydrophobicContact CB-CB 3.8Å; C40-C51 WeakPolarHBondContact CB-SG 3.39Å; C40-C51 WeakPolarHBondContact SG-CA 3.43Å; C40-C51 WeakPolarHBondContact SG-CB 3.41Å; C40-C51 CovalentContact SG-SG 2.04Å; C40-C51 PolarHBondContact SG-SG 2.63Å; C51-K172 WeakPolarHBondContact O-CA 3.43Å; C51-F173 HydrophobicContact CB-CD1 4.4Å; C51-F173 HydrophobicContact CB-CD2 3.9Å; C51-F173 HydrophobicContact CB-CE1 4.01Å; C51-F173 HydrophobicContact CB-CE2 3.46Å; C51-F173 VanDerWaalsContact CB-CE2 3.46Å; C51-F173 HydrophobicContact CB-CG 4.34Å; C51-F173 HydrophobicContact CB-CZ 3.52Å; C51-F173 PolarHBondContact N-O 3.29Å; C51-F173 WeakPolarHBondContact O-CD1 3.43Å; C51-F173 PolarHBondContact O-N 3.49Å
52	Y	98.7	Very high	97.4	Very high	3 Å²	3	59.1 Å²	59.1	1%	0.012	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	133.6	-175.8	-58.1	-108.6	0	0	0	110.4	S44 K45 Y47 H50 V77 E84 F87 V88 L91 C171 K172	S44-Y52 CarbonylContact C-O 3.49Å; S44-Y52 WeakPolarHBondContact CA-O 3.37Å; S44-Y52 WeakPolarHBondContact CB-O 3.44Å; K45-Y52 PolarHBondContact N-O 3.2Å; K45-Y52 PolarHBondContact O-N 3.45Å; Y47-Y52 HydrophobicContact CD1-CE2 4.45Å; Y47-Y52 WeakPolarHBondContact O-CE2 3.37Å; H50-Y52 HydrophobicContact CB-CD2 4.48Å; H50-Y52 HydrophobicContact CB-CE2 3.65Å; Y52-V77 HydrophobicContact CD1-CG2 3.81Å; Y52-V77 HydrophobicContact CE1-CG2 3.7Å; Y52-E84 PolarHBondContact OH-OE1 2.52Å; Y52-F87 AromaticContact CD1-CE1 3.99Å; Y52-F87 HydrophobicContact CD1-CE1 3.99Å; Y52-F87 HydrophobicContact CD2-CD1 4.45Å; Y52-F87 AromaticContact CD2-CE1 3.45Å; Y52-F87 HydrophobicContact CD2-CE1 3.45Å; Y52-F87 VanDerWaalsContact CD2-CE1 3.45Å; Y52-F87 AromaticContact CD2-CZ 4Å; Y52-F87 HydrophobicContact CD2-CZ 4Å; Y52-F87 HydrophobicContact CE1-CE1 4.37Å; Y52-F87 AromaticContact CE2-CE1 3.93Å; Y52-F87 HydrophobicContact CE2-CE1 3.93Å; Y52-F87 HydrophobicContact CG-CD1 4.48Å; Y52-F87 AromaticContact CG-CE1 3.52Å; Y52-F87 HydrophobicContact CG-CE1 3.52Å; Y52-F87 HydrophobicContact CG-CZ 4.26Å; Y52-V88 HydrophobicContact CD1-CG2 4.24Å; Y52-V88 HydrophobicContact CE1-CG2 4.3Å; Y52-L91 HydrophobicContact CG-CD1 4.45Å; Y52-C171 VanDerWaalsContact CA-O 3.25Å; Y52-C171 WeakPolarHBondContact CA-O 3.49Å; Y52-K172 HydrophobicContact CD1-CB 4.1Å; Y52-K172 HydrophobicContact CD1-CG 4.25Å; Y52-K172 HydrophobicContact CE1-CB 4.02Å; Y52-K172 HydrophobicContact CE1-CD 3.76Å; Y52-K172 HydrophobicContact CE1-CG 3.75Å
53	A	98.4	Very high	97.6	Very high	6 Å²	6	52.1 Å²	52.1	5%	0.05	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	127.1	-179.6	0	0	0	0	0	111.1	F55 V170 C171 F173	A53-F55 HydrophobicContact CB-CD2 4.36Å; A53-F55 HydrophobicContact CB-CE2 3.6Å; A53-F55 HydrophobicContact CB-CZ 4.04Å; A53-F55 WeakPolarHBondContact O-CD2 3.49Å; A53-V170 WeakPolarHBondContact O-CA 3.49Å; A53-C171 PolarHBondContact N-O 3.46Å; A53-C171 PolarHBondContact O-N 3.38Å; A53-F173 HydrophobicContact CB-CE1 3.99Å
54	L	98.6	Very high	97.8	Very high	45 Å²	45	48.7 Å²	48.7	24%	0.236	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	126.8	170.2	171.9	60.4	0	0	0	109.6	L56 V92 I95 V102 P168 V170	L54-L56 HydrophobicContact CD1-CD2 4.36Å; L54-L56 HydrophobicContact CD2-CD2 3.94Å; L54-L56 HydrophobicContact CG-CD2 3.94Å; L54-V92 HydrophobicContact CD1-CG1 4.09Å; L54-V92 HydrophobicContact CD2-CG1 4.33Å; L54-I95 HydrophobicContact CD1-CD1 4.32Å; L54-I95 HydrophobicContact CD2-CD1 4.36Å; L54-I95 HydrophobicContact CD2-CG1 4.48Å; L54-I95 HydrophobicContact CD2-CG2 4.25Å; L54-V102 HydrophobicContact CD1-CG1 4.26Å; L54-P168 HydrophobicContact CD1-CB 4.38Å; L54-V170 HydrophobicContact CB-CG2 4.49Å; L54-V170 HydrophobicContact CD1-CG2 4.06Å
55	F	98.4	Very high	97.9	Very high	58 Å²	58	48.3 Å²	48.3	25%	0.254	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	124.7	174.3	-67.1	-90.9	0	0	0	110.4	A53 P168 Y169 C171	A53-F55 HydrophobicContact CB-CD2 4.36Å; A53-F55 HydrophobicContact CB-CE2 3.6Å; A53-F55 HydrophobicContact CB-CZ 4.04Å; A53-F55 WeakPolarHBondContact O-CD2 3.49Å; F55-P168 VanDerWaalsContact O-CA 3.29Å; F55-P168 WeakPolarHBondContact O-CA 3.3Å; F55-P168 VanDerWaalsContact O-CB 3.31Å; F55-P168 WeakPolarHBondContact O-CB 3.35Å; F55-Y169 HydrophobicContact CB-CD1 4.02Å; F55-Y169 HydrophobicContact CB-CD2 4.05Å; F55-Y169 HydrophobicContact CB-CE1 3.57Å; F55-Y169 HydrophobicContact CB-CE2 3.63Å; F55-Y169 HydrophobicContact CB-CG 4.22Å; F55-Y169 AromaticContact CD2-CD2 3.99Å; F55-Y169 HydrophobicContact CD2-CD2 3.99Å; F55-Y169 AromaticContact CD2-CE2 3.55Å; F55-Y169 HydrophobicContact CD2-CE2 3.55Å; F55-Y169 HydrophobicContact CE2-CE2 4.37Å; F55-Y169 HydrophobicContact CG-CD2 4.33Å; F55-Y169 HydrophobicContact CG-CE1 4.41Å; F55-Y169 AromaticContact CG-CE2 3.67Å; F55-Y169 HydrophobicContact CG-CE2 3.67Å; F55-Y169 AromaticContact CG-CZ 3.69Å; F55-Y169 PolarHBondContact N-O 2.96Å; F55-Y169 PolarHBondContact O-N 3.44Å; F55-Y169 VanDerWaalsContact O-N 3.12Å; F55-C171 HydrophobicContact CE2-CB 3.99Å; F55-C171 WeakPolarHBondContact CE2-SG 3.47Å
56	L	98.1	Very high	98	Very high	96 Å²	96	46.4 Å²	46.4	50%	0.503	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-13.3	-177.1	-57.6	-177.2	0	0	0	113.9	L54 P58 I95	L54-L56 HydrophobicContact CD1-CD2 4.36Å; L54-L56 HydrophobicContact CD2-CD2 3.94Å; L54-L56 HydrophobicContact CG-CD2 3.94Å; L56-P58 WeakPolarHBondContact O-CD 3.44Å; L56-I95 HydrophobicContact CD2-CD1 4.45Å; L56-I95 HydrophobicContact CD2-CG2 3.62Å
57	S	98.2	Very high	98.1	Very high	79 Å²	79	45 Å²	45	55%	0.552	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	107.1	176.9	-178.4	0	0	0	0	109.2	Y169	S57-Y169 WeakPolarHBondContact O-CE1 3.49Å
58	P	98.5	Very high	98.2	Very high	37 Å²	37	41.4 Å²	41.4	24%	0.24	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	140.6	-167.6	-20.3	35.4	0	0	0	112.6	L56 Y99 R166 L167	L56-P58 WeakPolarHBondContact O-CD 3.44Å; P58-Y99 HydrophobicContact CG-CE1 4.14Å; P58-R166 HydrophobicContact CB-CB 3.93Å; P58-R166 WeakPolarHBondContact CB-O 3.39Å; P58-R166 PolarHBondContact O-NE 3.12Å; P58-R166 PolarHBondContact O-NH2 3.05Å; P58-L167 VanDerWaalsContact CA-O 3.28Å; P58-L167 WeakPolarHBondContact CA-O 3.3Å
59	K	98.9	Very high	98.4	Very high	53 Å²	53	43.1 Å²	43.1	23%	0.23	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	154.3	-177.8	-72.9	-177.2	-179.1	-67.4	0	110.8	D63 A64 A67 W103 R166 L167 Y169	K59-D63 HydrophobicContact CB-CB 3.85Å; K59-D63 HydrophobicContact CD-CB 4.13Å; K59-D63 WeakPolarHBondContact CD-O 3.18Å; K59-D63 HydrophobicContact CG-CB 4.21Å; K59-A64 HydrophobicContact CB-CB 3.99Å; K59-A67 HydrophobicContact CD-CB 4.17Å; K59-W103 PolarHBondContact O-NE1 3.3Å; K59-R166 CarbonylContact O-C 3.45Å; K59-R166 VanDerWaalsContact O-CA 3.29Å; K59-R166 WeakPolarHBondContact O-CA 3.46Å; K59-L167 PolarHBondContact N-O 3.36Å; K59-L167 PolarHBondContact O-N 2.74Å; K59-Y169 HydrophobicContact CB-CD1 4.39Å; K59-Y169 HydrophobicContact CB-CE1 4.14Å; K59-Y169 HydrophobicContact CD-CE1 3.67Å; K59-Y169 WeakPolarHBondContact CE-OH 3.48Å; K59-Y169 HydrophobicContact CG-CE1 3.97Å
60	S	98.9	Very high	98.5	Very high	16 Å²	16	48.2 Å²	48.2	11%	0.112	25%	0.252	C	S	.	.			trans	-59.1	161.5	163.7	59.4	0	0	0	0	108.9	T62 D63 A64 C163	S60-T62 VanDerWaalsContact C-N 3.3Å; S60-T62 PolarHBondContact O-N 3.15Å; S60-D63 PolarHBondContact O-N 3.08Å; S60-D63 WeakPolarHBondContact OG-CB 3.21Å; S60-D63 VanDerWaalsContact OG-CG 3.3Å; S60-D63 PolarHBondContact OG-N 2.85Å; S60-D63 PolarHBondContact OG-OD2 2.9Å; S60-A64 VanDerWaalsContact O-CB 3.31Å; S60-A64 WeakPolarHBondContact O-CB 3.25Å; S60-A64 PolarHBondContact O-N 3.26Å; S60-C163 WeakPolarHBondContact CB-O 3.48Å
61	W	98.9	Very high	98.5	Very high	21 Å²	21	50.1 Å²	50.1	8%	0.08	26%	0.257	C	S	.	.	H	α-helix	trans	-56.2	-47.4	-178.6	-175.4	94.4	0	0	0	111.4	D63 A64 D65 L76 W103 I104 H107 C146 C163	W61-D63 PolarHBondContact O-N 3.36Å; W61-A64 WeakPolarHBondContact O-CB 3.35Å; W61-A64 PolarHBondContact O-N 2.85Å; W61-A64 VanDerWaalsContact O-N 3.16Å; W61-D65 HydrophobicContact CH2-CB 4.47Å; W61-D65 HydrophobicContact CZ3-CB 4.48Å; W61-D65 PolarHBondContact O-N 3.07Å; W61-L76 HydrophobicContact CD2-CD1 4.05Å; W61-L76 HydrophobicContact CG-CD1 4.1Å; W61-L76 HydrophobicContact CZ2-CD1 4.12Å; W61-W103 HydrophobicContact CB-CD2 4.26Å; W61-W103 HydrophobicContact CB-CZ2 4.27Å; W61-W103 AromaticContact CD1-CD2 3.98Å; W61-W103 AromaticContact CD1-CE3 3.88Å; W61-I104 PolarHBondContact NE1-O 3.17Å; W61-H107 HydrophobicContact CH2-CB 3.91Å; W61-H107 AromaticContact CH2-CD2 3.21Å; W61-H107 WeakPolarHBondContact CH2-CD2 3.35Å; W61-H107 AromaticContact CH2-CG 3.53Å; W61-H107 AromaticContact CH2-NE2 3.78Å; W61-H107 HydrophobicContact CZ2-CB 3.69Å; W61-H107 AromaticContact CZ2-CD2 3.4Å; W61-H107 VanDerWaalsContact CZ2-CD2 3.4Å; W61-H107 WeakPolarHBondContact CZ2-CD2 3.11Å; W61-H107 AromaticContact CZ2-CG 3.73Å; W61-H107 HydrophobicContact CZ3-CB 4.41Å; W61-C146 HydrophobicContact CB-CB 3.93Å; W61-C146 VanDerWaalsContact CB-SG 3.56Å; W61-C146 HydrophobicContact CD2-CB 4.31Å; W61-C146 HydrophobicContact CG-CB 3.66Å; W61-C163 HydrophobicContact CB-CB 4.31Å; W61-C163 PolarHBondContact N-O 3.38Å
62	T	98.8	Very high	98.4	Very high	77 Å²	77	53.3 Å²	53.3	47%	0.472	28%	0.278	S	S	.	.	H	α-helix	trans	-61.3	-46.3	178.6	-48	0	0	0	0	112.5	S60 A64 D65 L66	S60-T62 VanDerWaalsContact C-N 3.3Å; S60-T62 PolarHBondContact O-N 3.15Å; T62-A64 PolarHBondContact O-N 2.87Å; T62-D65 PolarHBondContact O-N 3.27Å; T62-L66 HydrophobicContact CG2-CD1 4.27Å; T62-L66 WeakPolarHBondContact O-CB 3.35Å; T62-L66 WeakPolarHBondContact O-CG 3.36Å; T62-L66 PolarHBondContact O-N 3.07Å
63	D	98.9	Very high	98.3	Very high	68 Å²	68	57.7 Å²	57.7	36%	0.364	31%	0.309	S	S	.	.	H	α-helix	trans	-63.9	-32.6	177.9	-81.6	-9.3	0	0	0	112	K59 S60 W61 A67 R166	K59-D63 HydrophobicContact CB-CB 3.85Å; K59-D63 HydrophobicContact CD-CB 4.13Å; K59-D63 WeakPolarHBondContact CD-O 3.18Å; K59-D63 HydrophobicContact CG-CB 4.21Å; S60-D63 PolarHBondContact O-N 3.08Å; S60-D63 WeakPolarHBondContact OG-CB 3.21Å; S60-D63 VanDerWaalsContact OG-CG 3.3Å; S60-D63 PolarHBondContact OG-N 2.85Å; S60-D63 PolarHBondContact OG-OD2 2.9Å; W61-D63 PolarHBondContact O-N 3.36Å; D63-A67 WeakPolarHBondContact O-CB 3.01Å; D63-A67 PolarHBondContact O-N 3.32Å; D63-A67 VanDerWaalsContact O-N 3.09Å; D63-R166 IonicContact OD2-NH1 3.81Å
64	A	98.9	Very high	98.3	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-71.5	-44.9	178.6	0	0	0	0	0	111.3	K59 S60 W61 T62 A67 C68 L76 Y169	K59-A64 HydrophobicContact CB-CB 3.99Å; S60-A64 VanDerWaalsContact O-CB 3.31Å; S60-A64 WeakPolarHBondContact O-CB 3.25Å; S60-A64 PolarHBondContact O-N 3.26Å; W61-A64 WeakPolarHBondContact O-CB 3.35Å; W61-A64 PolarHBondContact O-N 2.85Å; W61-A64 VanDerWaalsContact O-N 3.16Å; T62-A64 PolarHBondContact O-N 2.87Å; A64-A67 WeakPolarHBondContact O-CB 3.43Å; A64-A67 PolarHBondContact O-N 3.23Å; A64-A67 VanDerWaalsContact O-N 3.15Å; A64-C68 PolarHBondContact O-N 3.43Å; A64-C68 PolarHBondContact O-SG 2.04Å; A64-L76 HydrophobicContact CB-CD1 4.23Å; A64-L76 HydrophobicContact CB-CD2 3.94Å; A64-L76 HydrophobicContact CB-CG 4.39Å; A64-Y169 HydrophobicContact CB-CD1 3.8Å; A64-Y169 HydrophobicContact CB-CD2 3.86Å; A64-Y169 HydrophobicContact CB-CE1 4.27Å; A64-Y169 HydrophobicContact CB-CE2 4.3Å; A64-Y169 HydrophobicContact CB-CG 3.6Å
65	D	98.9	Very high	98.3	Very high	10 Å²	10	56.7 Å²	56.7	5%	0.053	30%	0.304	C	S	.	.	H	α-helix	trans	-63.4	-46.1	175.8	-163.2	65.9	0	0	0	111.7	W61 T62 A67 C68 Q69 L76 S123	W61-D65 HydrophobicContact CH2-CB 4.47Å; W61-D65 HydrophobicContact CZ3-CB 4.48Å; W61-D65 PolarHBondContact O-N 3.07Å; T62-D65 PolarHBondContact O-N 3.27Å; D65-A67 PolarHBondContact O-N 2.79Å; D65-C68 WeakPolarHBondContact O-CA 3.35Å; D65-C68 WeakPolarHBondContact O-CB 3.03Å; D65-C68 PolarHBondContact O-N 2.85Å; D65-Q69 WeakPolarHBondContact O-CG 3.31Å; D65-Q69 PolarHBondContact O-N 2.65Å; D65-Q69 PolarHBondContact OD2-NE2 3.32Å; D65-L76 HydrophobicContact CB-CD1 3.85Å; D65-L76 HydrophobicContact CB-CG 3.95Å; D65-L76 PolarHBondContact OD1-N 2.88Å; D65-S123 WeakPolarHBondContact OD1-CB 3.38Å; D65-S123 PolarHBondContact OD1-OG 2.87Å
66	L	98.8	Very high	98.3	Very high	91 Å²	91	54 Å²	54	48%	0.476	29%	0.292	S	S	.	.	H	α-helix	trans	-58.2	-32.2	172.9	-72.1	173.5	0	0	0	113	T62	T62-L66 HydrophobicContact CG2-CD1 4.27Å; T62-L66 WeakPolarHBondContact O-CB 3.35Å; T62-L66 WeakPolarHBondContact O-CG 3.36Å; T62-L66 PolarHBondContact O-N 3.07Å
67	A	98.8	Very high	98.4	Very high	19 Å²	19	49.4 Å²	49.4	16%	0.157	27%	0.268	C	S	.	.	H	α-helix	trans	-71.5	-37	174.3	0	0	0	0	0	111.9	K59 D63 A64 D65 K70 Y169	K59-A67 HydrophobicContact CD-CB 4.17Å; D63-A67 WeakPolarHBondContact O-CB 3.01Å; D63-A67 PolarHBondContact O-N 3.32Å; D63-A67 VanDerWaalsContact O-N 3.09Å; A64-A67 WeakPolarHBondContact O-CB 3.43Å; A64-A67 PolarHBondContact O-N 3.23Å; A64-A67 VanDerWaalsContact O-N 3.15Å; D65-A67 PolarHBondContact O-N 2.79Å; A67-K70 WeakPolarHBondContact O-CB 3.31Å; A67-K70 PolarHBondContact O-N 2.91Å; A67-Y169 HydrophobicContact CB-CE2 4.2Å
68	C	98.8	Very high	98.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-67.9	-37.3	175.5	-62.4	0	0	0	0	112.5	A64 D65 K70 R71 G74 N75 C171	A64-C68 PolarHBondContact O-N 3.43Å; A64-C68 PolarHBondContact O-SG 2.04Å; D65-C68 WeakPolarHBondContact O-CA 3.35Å; D65-C68 WeakPolarHBondContact O-CB 3.03Å; D65-C68 PolarHBondContact O-N 2.85Å; C68-K70 PolarHBondContact O-N 2.86Å; C68-R71 WeakPolarHBondContact O-CB 3.4Å; C68-R71 PolarHBondContact O-N 2.92Å; C68-G74 CarbonylContact C-O 3.45Å; C68-G74 CarbonylContact O-C 3.42Å; C68-G74 WeakPolarHBondContact O-CA 3.01Å; C68-N75 WeakPolarHBondContact CB-O 3.26Å; C68-C171 WeakPolarHBondContact CA-SG 3.48Å; C68-C171 HydrophobicContact CB-CB 3.66Å; C68-C171 WeakPolarHBondContact CB-SG 3.47Å; C68-C171 WeakPolarHBondContact SG-CA 3.3Å; C68-C171 WeakPolarHBondContact SG-CB 3.33Å; C68-C171 CovalentContact SG-SG 2.03Å; C68-C171 PolarHBondContact SG-SG 3.49Å
69	Q	98.6	Very high	98.4	Very high	100 Å²	100	44 Å²	44	47%	0.467	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-10.7	176.6	-68.3	175.6	14.2	0	0	114.5	D65 R71 G74	D65-Q69 WeakPolarHBondContact O-CG 3.31Å; D65-Q69 PolarHBondContact O-N 2.65Å; D65-Q69 PolarHBondContact OD2-NE2 3.32Å; Q69-R71 PolarHBondContact O-N 3.03Å; Q69-G74 WeakPolarHBondContact CA-O 3.19Å; Q69-G74 WeakPolarHBondContact CG-O 3.4Å; Q69-G74 PolarHBondContact N-O 3.01Å
70	K	97.6	Very high	98.4	Very high	181 Å²	181	43.9 Å²	43.9	79%	0.787	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-9.1	169.6	-60.8	178.6	-178.1	-178.5	0	113.1	A67 C68	A67-K70 WeakPolarHBondContact O-CB 3.31Å; A67-K70 PolarHBondContact O-N 2.91Å; C68-K70 PolarHBondContact O-N 2.86Å
71	R	96.9	Very high	98.4	Very high	92 Å²	92	45.1 Å²	45.1	35%	0.347	24%	0.241	S	C	.	.	S	Bend	trans	-96.7	154.4	173.3	-59.3	-71.6	-173.3	167.3	1.6	109.6	C68 Q69 S73 G74 F173	C68-R71 WeakPolarHBondContact O-CB 3.4Å; C68-R71 PolarHBondContact O-N 2.92Å; Q69-R71 PolarHBondContact O-N 3.03Å; R71-S73 PolarHBondContact O-N 3.04Å; R71-G74 PolarHBondContact O-N 3.21Å; R71-G74 VanDerWaalsContact O-N 3.08Å; R71-F173 HydrophobicContact CB-CB 3.63Å; R71-F173 HydrophobicContact CB-CD1 4.26Å; R71-F173 HydrophobicContact CB-CD2 3.96Å; R71-F173 HydrophobicContact CB-CG 3.71Å; R71-F173 HydrophobicContact CG-CB 4.42Å; R71-F173 HydrophobicContact CG-CD1 4.13Å; R71-F173 HydrophobicContact CG-CD2 4.29Å; R71-F173 HydrophobicContact CG-CE1 4.49Å; R71-F173 HydrophobicContact CG-CG 4.04Å
72	P	96.4	Very high	98.4	Very high	67 Å²	67	45.6 Å²	45.6	44%	0.435	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	124	176	-20	31.5	0	0	0	111.1	G74 F173 T174	P72-G74 PolarHBondContact O-N 3.34Å; P72-G74 VanDerWaalsContact O-N 3.07Å; P72-F173 WeakPolarHBondContact O-CB 3.34Å; P72-T174 WeakPolarHBondContact CB-O 3.31Å; P72-T174 PolarHBondContact O-N 3.27Å; P72-T174 PolarHBondContact O-OG1 3.33Å
73	S	96.4	Very high	98.4	Very high	95 Å²	95	44.6 Å²	44.6	66%	0.664	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.7	38.7	-176.4	-45.7	0	0	0	0	112.5	R71 T174	R71-S73 PolarHBondContact O-N 3.04Å; S73-T174 WeakPolarHBondContact CB-OG1 3.5Å; S73-T174 PolarHBondContact OG-OG1 3Å
74	G	98.3	Very high	98.3	Very high	3 Å²	3	41.9 Å²	41.9	3%	0.031	24%	0.237	C	C	.	.			trans	-94	133.6	-171.2	0	0	0	0	0	113.1	C68 Q69 R71 P72 K172	C68-G74 CarbonylContact C-O 3.45Å; C68-G74 CarbonylContact O-C 3.42Å; C68-G74 WeakPolarHBondContact O-CA 3.01Å; Q69-G74 WeakPolarHBondContact CA-O 3.19Å; Q69-G74 WeakPolarHBondContact CG-O 3.4Å; Q69-G74 PolarHBondContact N-O 3.01Å; R71-G74 PolarHBondContact O-N 3.21Å; R71-G74 VanDerWaalsContact O-N 3.08Å; P72-G74 PolarHBondContact O-N 3.34Å; P72-G74 VanDerWaalsContact O-N 3.07Å; G74-K172 WeakPolarHBondContact CA-O 3.42Å
75	N	98.9	Very high	98.3	Very high	28 Å²	28	42.3 Å²	42.3	15%	0.15	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	170.1	171.9	-68.4	97.6	0	0	0	109.5	C68 S123 C171 K172	C68-N75 WeakPolarHBondContact CB-O 3.26Å; N75-S123 PolarHBondContact ND2-O 3.19Å; N75-C171 CarbonylContact O-C 3.59Å; N75-C171 VanDerWaalsContact O-CA 3.28Å; N75-C171 WeakPolarHBondContact O-CA 3Å; N75-K172 PolarHBondContact N-O 3.24Å; N75-K172 PolarHBondContact O-N 3.11Å
76	L	98.9	Very high	98.3	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	143.3	157.5	-79.3	174.7	0	0	0	109.5	W61 A64 D65 S78 W103 Y169 V170	W61-L76 HydrophobicContact CD2-CD1 4.05Å; W61-L76 HydrophobicContact CG-CD1 4.1Å; W61-L76 HydrophobicContact CZ2-CD1 4.12Å; A64-L76 HydrophobicContact CB-CD1 4.23Å; A64-L76 HydrophobicContact CB-CD2 3.94Å; A64-L76 HydrophobicContact CB-CG 4.39Å; D65-L76 HydrophobicContact CB-CD1 3.85Å; D65-L76 HydrophobicContact CB-CG 3.95Å; D65-L76 PolarHBondContact OD1-N 2.88Å; L76-S78 PolarHBondContact O-N 3.29Å; L76-W103 HydrophobicContact CD1-CB 4.38Å; L76-W103 HydrophobicContact CD2-CB 4.19Å; L76-Y169 HydrophobicContact CD2-CD2 3.96Å; L76-Y169 HydrophobicContact CD2-CG 4.19Å; L76-V170 WeakPolarHBondContact CA-O 3.49Å
77	V	98.9	Very high	98.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-60.5	126.1	-169	61.9	0	0	0	0	112.2	Y52 V79 V88 I104 G105 W122 V170 K172	Y52-V77 HydrophobicContact CD1-CG2 3.81Å; Y52-V77 HydrophobicContact CE1-CG2 3.7Å; V77-V79 HydrophobicContact CG2-CG2 4.29Å; V77-V88 HydrophobicContact CG1-CG1 4.34Å; V77-V88 HydrophobicContact CG2-CG2 3.96Å; V77-I104 HydrophobicContact CG1-CB 3.97Å; V77-I104 HydrophobicContact CG1-CG2 3.63Å; V77-G105 PolarHBondContact O-N 2.59Å; V77-W122 WeakPolarHBondContact O-CZ3 3.32Å; V77-V170 HydrophobicContact CB-CB 4.25Å; V77-V170 HydrophobicContact CB-CG1 3.95Å; V77-V170 HydrophobicContact CG1-CB 3.66Å; V77-V170 HydrophobicContact CG1-CG1 3.82Å; V77-V170 HydrophobicContact CG2-CG1 4.49Å; V77-V170 PolarHBondContact N-O 3.17Å; V77-K172 HydrophobicContact CB-CB 4.05Å; V77-K172 HydrophobicContact CG2-CB 3.98Å; V77-K172 HydrophobicContact CG2-CD 4.25Å
78	S	98.8	Very high	98.3	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.007	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-80.9	142	158.9	60.4	0	0	0	0	110.4	L76 E84 S124 D126 K172	L76-S78 PolarHBondContact O-N 3.29Å; S78-E84 VanDerWaalsContact O-OE1 3.13Å; S78-S124 WeakPolarHBondContact CB-OG 3.15Å; S78-D126 WeakPolarHBondContact CB-OD2 3.44Å; S78-D126 PolarHBondContact OG-OD2 3.39Å; S78-K172 PolarHBondContact OG-NZ 2.95Å
79	V	98.7	Very high	98.3	Very high	1 Å²	1	42 Å²	42	1%	0.006	24%	0.242	C	C	.	.			trans	-121.7	107.4	178.2	-179.1	0	0	0	0	108.3	V77 V88 W122 Y130 W158	V77-V79 HydrophobicContact CG2-CG2 4.29Å; V79-V88 HydrophobicContact CG2-CG2 4.49Å; V79-W122 HydrophobicContact CB-CH2 3.98Å; V79-W122 HydrophobicContact CB-CZ2 4.27Å; V79-W122 HydrophobicContact CG2-CH2 4.37Å; V79-W122 VanDerWaalsContact N-CH2 3.29Å; V79-W122 VanDerWaalsContact N-CZ2 3.35Å; V79-W122 VanDerWaalsContact O-CZ2 3.26Å; V79-W122 WeakPolarHBondContact O-CZ2 3.15Å; V79-Y130 HydrophobicContact CG1-CD1 4.12Å; V79-Y130 HydrophobicContact CG1-CE1 3.92Å; V79-Y130 WeakPolarHBondContact O-CD1 3.42Å; V79-W158 HydrophobicContact CB-CZ2 3.85Å; V79-W158 HydrophobicContact CG1-CZ2 4.02Å
80	L	98.3	Very high	98.3	Very high	52 Å²	52	40.7 Å²	40.7	27%	0.272	25%	0.245	S	C	.	.			trans	-109	-1.4	-167	-51.1	-179.6	0	0	0	112.9	E84 D126 Y130	L80-E84 WeakPolarHBondContact CA-OE2 3.38Å; L80-E84 WeakPolarHBondContact CB-OE2 3.39Å; L80-E84 PolarHBondContact N-OE2 2.68Å; L80-D126 HydrophobicContact CD1-CB 4.12Å; L80-D126 HydrophobicContact CD2-CB 3.81Å; L80-Y130 WeakPolarHBondContact O-CB 3.08Å
81	S	98.6	Very high	98.3	Very high	41 Å²	41	33.6 Å²	33.6	29%	0.287	22%	0.215	S	C	.	.	S	Bend	trans	-157.4	163.3	175.2	67.7	0	0	0	0	112.2	A83 E84 G85	S81-A83 VanDerWaalsContact C-N 3.26Å; S81-A83 PolarHBondContact O-N 3.1Å; S81-E84 PolarHBondContact O-N 3.34Å; S81-E84 WeakPolarHBondContact OG-CB 3.35Å; S81-E84 PolarHBondContact OG-N 3.09Å; S81-E84 VanDerWaalsContact OG-N 3.08Å; S81-G85 PolarHBondContact O-N 3.2Å
82	G	98.6	Very high	98.4	Very high	32 Å²	32	29.2 Å²	29.2	33%	0.33	20%	0.199	S	C	.	.	H	α-helix	trans	-63.7	-30.8	172.7	0	0	0	0	0	113.6	S86 Y130	G82-S86 WeakPolarHBondContact O-CB 3.36Å; G82-S86 PolarHBondContact O-N 2.91Å; G82-S86 PolarHBondContact O-OG 3.25Å; G82-Y130 WeakPolarHBondContact CA-OH 3.37Å
83	A	98.7	Very high	98.4	Very high	56 Å²	56	33.1 Å²	33.1	46%	0.463	21%	0.209	S	C	.	.	H	α-helix	trans	-71.2	-43.1	177.2	0	0	0	0	0	111.4	Y47 S81 S86 F87	Y47-A83 VanDerWaalsContact OH-C 3.22Å; Y47-A83 WeakPolarHBondContact OH-CB 3.48Å; S81-A83 VanDerWaalsContact C-N 3.26Å; S81-A83 PolarHBondContact O-N 3.1Å; A83-S86 PolarHBondContact O-N 3.46Å; A83-F87 PolarHBondContact O-N 3.1Å
84	E	98.8	Very high	98.3	Very high	10 Å²	10	33.3 Å²	33.3	5%	0.047	21%	0.21	C	C	.	.	H	α-helix	trans	-63.3	-43.9	172.2	-173.5	175.6	-158.8	0	0	111	Y47 Y52 S78 L80 S81 S86 F87 V88 K172	Y47-E84 HydrophobicContact CD1-CB 4.43Å; Y47-E84 HydrophobicContact CD1-CG 4.27Å; Y47-E84 HydrophobicContact CE1-CB 3.76Å; Y47-E84 HydrophobicContact CE1-CG 4.08Å; Y47-E84 PolarHBondContact OH-N 3.37Å; Y52-E84 PolarHBondContact OH-OE1 2.52Å; S78-E84 VanDerWaalsContact O-OE1 3.13Å; L80-E84 WeakPolarHBondContact CA-OE2 3.38Å; L80-E84 WeakPolarHBondContact CB-OE2 3.39Å; L80-E84 PolarHBondContact N-OE2 2.68Å; S81-E84 PolarHBondContact O-N 3.34Å; S81-E84 WeakPolarHBondContact OG-CB 3.35Å; S81-E84 PolarHBondContact OG-N 3.09Å; S81-E84 VanDerWaalsContact OG-N 3.08Å; E84-S86 VanDerWaalsContact C-N 3.31Å; E84-S86 PolarHBondContact O-N 2.73Å; E84-F87 WeakPolarHBondContact O-CB 3.28Å; E84-F87 PolarHBondContact O-N 2.97Å; E84-F87 VanDerWaalsContact O-N 3.15Å; E84-V88 HydrophobicContact CG-CG2 4.49Å; E84-V88 WeakPolarHBondContact O-CG2 3.4Å; E84-V88 PolarHBondContact O-N 2.74Å; E84-K172 WeakPolarHBondContact OE1-CE 3.07Å; E84-K172 IonicContact OE1-NZ 2.74Å; E84-K172 PolarHBondContact OE1-NZ 3.25Å
85	G	98.7	Very high	98.2	Very high	10 Å²	10	33.9 Å²	33.9	10%	0.103	21%	0.212	C	C	.	.	H	α-helix	trans	-59.4	-40.1	175.9	0	0	0	0	0	113.1	S81 V88 S89	S81-G85 PolarHBondContact O-N 3.2Å; G85-V88 PolarHBondContact O-N 3.02Å; G85-S89 WeakPolarHBondContact O-CB 3.25Å; G85-S89 PolarHBondContact O-N 2.86Å
86	S	98.8	Very high	97.9	Very high	65 Å²	65	34.3 Å²	34.3	46%	0.455	22%	0.217	S	C	.	.	H	α-helix	trans	-65.8	-41	175	-60.8	0	0	0	0	112	G82 A83 E84 S90	G82-S86 WeakPolarHBondContact O-CB 3.36Å; G82-S86 PolarHBondContact O-N 2.91Å; G82-S86 PolarHBondContact O-OG 3.25Å; A83-S86 PolarHBondContact O-N 3.46Å; E84-S86 VanDerWaalsContact C-N 3.31Å; E84-S86 PolarHBondContact O-N 2.73Å; S86-S90 PolarHBondContact O-N 2.83Å
87	F	98.8	Very high	97.6	Very high	33 Å²	33	41.7 Å²	41.7	15%	0.145	26%	0.257	C	S	.	.	H	α-helix	trans	-61.6	-49.2	173.6	166.7	-97.9	0	0	0	111.4	K45 Y47 Y52 A83 E84 S89 S90 L91	K45-F87 HydrophobicContact CB-CE2 4.23Å; K45-F87 HydrophobicContact CB-CZ 3.84Å; Y47-F87 HydrophobicContact CD1-CD1 4.19Å; Y47-F87 HydrophobicContact CD1-CG 4.42Å; Y47-F87 HydrophobicContact CD2-CB 3.69Å; Y47-F87 HydrophobicContact CD2-CD1 4.05Å; Y47-F87 AromaticContact CD2-CD2 3.71Å; Y47-F87 HydrophobicContact CD2-CD2 3.71Å; Y47-F87 HydrophobicContact CD2-CE2 4.36Å; Y47-F87 AromaticContact CD2-CG 3.52Å; Y47-F87 HydrophobicContact CD2-CG 3.52Å; Y47-F87 HydrophobicContact CE2-CB 3.86Å; Y47-F87 HydrophobicContact CE2-CG 4.22Å; Y47-F87 HydrophobicContact CG-CB 4.11Å; Y47-F87 AromaticContact CG-CD1 3.66Å; Y47-F87 HydrophobicContact CG-CD1 3.66Å; Y47-F87 HydrophobicContact CG-CD2 4.06Å; Y47-F87 HydrophobicContact CG-CE1 4.07Å; Y47-F87 HydrophobicContact CG-CE2 4.42Å; Y47-F87 AromaticContact CG-CG 3.65Å; Y47-F87 HydrophobicContact CG-CG 3.65Å; Y47-F87 HydrophobicContact CG-CZ 4.43Å; Y52-F87 AromaticContact CD1-CE1 3.99Å; Y52-F87 HydrophobicContact CD1-CE1 3.99Å; Y52-F87 HydrophobicContact CD2-CD1 4.45Å; Y52-F87 AromaticContact CD2-CE1 3.45Å; Y52-F87 HydrophobicContact CD2-CE1 3.45Å; Y52-F87 VanDerWaalsContact CD2-CE1 3.45Å; Y52-F87 AromaticContact CD2-CZ 4Å; Y52-F87 HydrophobicContact CD2-CZ 4Å; Y52-F87 HydrophobicContact CE1-CE1 4.37Å; Y52-F87 AromaticContact CE2-CE1 3.93Å; Y52-F87 HydrophobicContact CE2-CE1 3.93Å; Y52-F87 HydrophobicContact CG-CD1 4.48Å; Y52-F87 AromaticContact CG-CE1 3.52Å; Y52-F87 HydrophobicContact CG-CE1 3.52Å; Y52-F87 HydrophobicContact CG-CZ 4.26Å; A83-F87 PolarHBondContact O-N 3.1Å; E84-F87 WeakPolarHBondContact O-CB 3.28Å; E84-F87 PolarHBondContact O-N 2.97Å; E84-F87 VanDerWaalsContact O-N 3.15Å; F87-S89 PolarHBondContact O-N 2.97Å; F87-S90 WeakPolarHBondContact O-CB 3.44Å; F87-S90 PolarHBondContact O-N 2.99Å; F87-S90 VanDerWaalsContact O-N 3.12Å; F87-S90 PolarHBondContact O-OG 2.89Å; F87-L91 HydrophobicContact CD1-CD1 4.33Å; F87-L91 HydrophobicContact CE1-CD1 3.62Å; F87-L91 HydrophobicContact CE1-CG 4.24Å; F87-L91 HydrophobicContact CE2-CD2 4.32Å; F87-L91 HydrophobicContact CZ-CD1 3.82Å; F87-L91 HydrophobicContact CZ-CD2 4.09Å; F87-L91 HydrophobicContact CZ-CG 4.14Å; F87-L91 PolarHBondContact O-N 3.26Å
88	V	98.8	Very high	97.5	Very high	1 Å²	1	46 Å²	46	1%	0.006	29%	0.287	C	S	.	.	H	α-helix	trans	-62.5	-42.3	178.2	178	0	0	0	0	111.4	Y52 V77 V79 E84 G85 S90 L91 V92 L149 V170	Y52-V88 HydrophobicContact CD1-CG2 4.24Å; Y52-V88 HydrophobicContact CE1-CG2 4.3Å; V77-V88 HydrophobicContact CG1-CG1 4.34Å; V77-V88 HydrophobicContact CG2-CG2 3.96Å; V79-V88 HydrophobicContact CG2-CG2 4.49Å; E84-V88 HydrophobicContact CG-CG2 4.49Å; E84-V88 WeakPolarHBondContact O-CG2 3.4Å; E84-V88 PolarHBondContact O-N 2.74Å; G85-V88 PolarHBondContact O-N 3.02Å; V88-S90 VanDerWaalsContact C-N 3.26Å; V88-S90 PolarHBondContact O-N 2.59Å; V88-L91 WeakPolarHBondContact O-CB 3.22Å; V88-L91 PolarHBondContact O-N 2.9Å; V88-V92 PolarHBondContact O-N 2.98Å; V88-L149 HydrophobicContact CG1-CD1 3.7Å; V88-V170 HydrophobicContact CG1-CG1 4.44Å; V88-V170 HydrophobicContact CG1-CG2 4.41Å
89	S	98.8	Very high	97.4	Very high	13 Å²	13	49.1 Å²	49.1	9%	0.091	30%	0.299	C	S	.	.	H	α-helix	trans	-54.8	-43.1	173.1	167.4	0	0	0	0	111.5	G85 F87 L91 V92 K93 A154	G85-S89 WeakPolarHBondContact O-CB 3.25Å; G85-S89 PolarHBondContact O-N 2.86Å; F87-S89 PolarHBondContact O-N 2.97Å; S89-L91 VanDerWaalsContact C-N 3.29Å; S89-L91 PolarHBondContact O-N 3.03Å; S89-V92 WeakPolarHBondContact O-CG2 3.35Å; S89-V92 PolarHBondContact O-N 3.2Å; S89-K93 PolarHBondContact O-N 2.9Å; S89-A154 PolarHBondContact OG-O 2.92Å
90	S	98.5	Very high	97.4	Very high	74 Å²	74	51.4 Å²	51.4	52%	0.517	32%	0.315	S	S	.	.	H	α-helix	trans	-63.7	-31.8	178.1	83.4	0	0	0	0	113.5	S86 F87 V88 V92	S86-S90 PolarHBondContact O-N 2.83Å; F87-S90 WeakPolarHBondContact O-CB 3.44Å; F87-S90 PolarHBondContact O-N 2.99Å; F87-S90 VanDerWaalsContact O-N 3.12Å; F87-S90 PolarHBondContact O-OG 2.89Å; V88-S90 VanDerWaalsContact C-N 3.26Å; V88-S90 PolarHBondContact O-N 2.59Å; S90-V92 VanDerWaalsContact C-N 3.34Å
91	L	97.9	Very high	97.4	Very high	32 Å²	32	50.2 Å²	50.2	17%	0.168	31%	0.308	C	S	.	.	H	α-helix	trans	-67.5	-35.8	176.7	-65.5	177.5	0	0	0	112.1	K45 Y52 F87 V88 S89	K45-L91 HydrophobicContact CB-CD2 3.86Å; K45-L91 HydrophobicContact CG-CD2 3.58Å; Y52-L91 HydrophobicContact CG-CD1 4.45Å; F87-L91 HydrophobicContact CD1-CD1 4.33Å; F87-L91 HydrophobicContact CE1-CD1 3.62Å; F87-L91 HydrophobicContact CE1-CG 4.24Å; F87-L91 HydrophobicContact CE2-CD2 4.32Å; F87-L91 HydrophobicContact CZ-CD1 3.82Å; F87-L91 HydrophobicContact CZ-CD2 4.09Å; F87-L91 HydrophobicContact CZ-CG 4.14Å; F87-L91 PolarHBondContact O-N 3.26Å; V88-L91 WeakPolarHBondContact O-CB 3.22Å; V88-L91 PolarHBondContact O-N 2.9Å; S89-L91 VanDerWaalsContact C-N 3.29Å; S89-L91 PolarHBondContact O-N 3.03Å
92	V	98.3	Very high	97.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-98.5	-8.5	-173.1	-52.4	0	0	0	0	113.4	L54 V88 S89 S90 S94 I95 V102 L149 F155 V170	L54-V92 HydrophobicContact CD1-CG1 4.09Å; L54-V92 HydrophobicContact CD2-CG1 4.33Å; V88-V92 PolarHBondContact O-N 2.98Å; S89-V92 WeakPolarHBondContact O-CG2 3.35Å; S89-V92 PolarHBondContact O-N 3.2Å; S90-V92 VanDerWaalsContact C-N 3.34Å; V92-S94 PolarHBondContact O-N 2.84Å; V92-S94 VanDerWaalsContact O-N 3.1Å; V92-I95 HydrophobicContact CB-CG1 4.4Å; V92-I95 WeakPolarHBondContact O-CG1 3.41Å; V92-I95 PolarHBondContact O-N 2.84Å; V92-I95 VanDerWaalsContact O-N 3.09Å; V92-V102 HydrophobicContact CB-CG2 4.2Å; V92-V102 HydrophobicContact CG1-CG1 4.09Å; V92-V102 HydrophobicContact CG1-CG2 4.38Å; V92-L149 HydrophobicContact CG2-CD1 4.11Å; V92-F155 HydrophobicContact CG2-CB 3.57Å; V92-F155 HydrophobicContact CG2-CD1 4.06Å; V92-F155 HydrophobicContact CG2-CD2 3.8Å; V92-F155 HydrophobicContact CG2-CE2 4.46Å; V92-F155 HydrophobicContact CG2-CG 3.55Å; V92-V170 HydrophobicContact CG1-CG2 3.58Å
93	K	95.9	Very high	97.4	Very high	148 Å²	148	46.8 Å²	46.8	64%	0.643	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-55.3	-34.5	-176	-172.8	174.9	-178.7	177.8	0	113.6	S89 I95 S96	S89-K93 PolarHBondContact O-N 2.9Å; K93-I95 PolarHBondContact O-N 3.29Å; K93-S96 WeakPolarHBondContact O-CB 3.46Å; K93-S96 PolarHBondContact O-N 3.08Å; K93-S96 PolarHBondContact O-OG 3.01Å
94	S	94.4	Very high	97.5	Very high	99 Å²	99	44.1 Å²	44.1	69%	0.692	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-65.2	-19.5	-177.8	60.7	0	0	0	0	114	V92	V92-S94 PolarHBondContact O-N 2.84Å; V92-S94 VanDerWaalsContact O-N 3.1Å
95	I	95.8	Very high	97.5	Very high	15 Å²	15	43.6 Å²	43.6	8%	0.077	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-99.9	9.4	-176.6	64.9	156.6	0	0	0	113.6	L54 L56 V92 K93 N97 S98 Y99 V102 P168	L54-I95 HydrophobicContact CD1-CD1 4.32Å; L54-I95 HydrophobicContact CD2-CD1 4.36Å; L54-I95 HydrophobicContact CD2-CG1 4.48Å; L54-I95 HydrophobicContact CD2-CG2 4.25Å; L56-I95 HydrophobicContact CD2-CD1 4.45Å; L56-I95 HydrophobicContact CD2-CG2 3.62Å; V92-I95 HydrophobicContact CB-CG1 4.4Å; V92-I95 WeakPolarHBondContact O-CG1 3.41Å; V92-I95 PolarHBondContact O-N 2.84Å; V92-I95 VanDerWaalsContact O-N 3.09Å; K93-I95 PolarHBondContact O-N 3.29Å; I95-N97 PolarHBondContact O-N 3.17Å; I95-N97 VanDerWaalsContact O-N 3.14Å; I95-S98 PolarHBondContact O-N 3.28Å; I95-Y99 HydrophobicContact CB-CD2 4.23Å; I95-Y99 HydrophobicContact CD1-CD2 4.01Å; I95-Y99 HydrophobicContact CD1-CG 4.49Å; I95-Y99 PolarHBondContact O-N 3Å; I95-Y99 VanDerWaalsContact O-N 3.08Å; I95-V102 HydrophobicContact CD1-CG2 3.75Å; I95-P168 HydrophobicContact CD1-CB 4.05Å; I95-P168 HydrophobicContact CD1-CG 3.72Å
96	S	93.1	Very high	97.5	Very high	37 Å²	37	43.1 Å²	43.1	26%	0.259	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-33.5	-177.7	64	0	0	0	0	113.5	K93 S98 R151	K93-S96 WeakPolarHBondContact O-CB 3.46Å; K93-S96 PolarHBondContact O-N 3.08Å; K93-S96 PolarHBondContact O-OG 3.01Å; S96-S98 VanDerWaalsContact C-N 3.27Å; S96-S98 PolarHBondContact O-N 3.14Å; S96-R151 WeakPolarHBondContact O-CD 3.26Å; S96-R151 PolarHBondContact O-NH1 2.95Å
97	N	93.6	Very high	97.4	Very high	155 Å²	155	41.3 Å²	41.3	83%	0.829	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-16	-178	-64.1	-19.7	0	0	0	113.2	I95	I95-N97 PolarHBondContact O-N 3.17Å; I95-N97 VanDerWaalsContact O-N 3.14Å
98	S	96.4	Very high	97.4	Very high	91 Å²	91	40 Å²	40	64%	0.636	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.1	-29	-174	-56.2	0	0	0	0	113.1	I95 S96	I95-S98 PolarHBondContact O-N 3.28Å; S96-S98 VanDerWaalsContact C-N 3.27Å; S96-S98 PolarHBondContact O-N 3.14Å
99	Y	97.1	Very high	97.2	Very high	67 Å²	67	43.1 Å²	43.1	26%	0.263	25%	0.248	S	C	.	.			trans	-133.8	136.9	-174	-61.9	-81.7	0	0	0	112.1	P58 I95 R151 P168	P58-Y99 HydrophobicContact CG-CE1 4.14Å; I95-Y99 HydrophobicContact CB-CD2 4.23Å; I95-Y99 HydrophobicContact CD1-CD2 4.01Å; I95-Y99 HydrophobicContact CD1-CG 4.49Å; I95-Y99 PolarHBondContact O-N 3Å; I95-Y99 VanDerWaalsContact O-N 3.08Å; Y99-R151 PolarHBondContact O-NH1 3.01Å; Y99-P168 HydrophobicContact CD1-CG 3.82Å; Y99-P168 HydrophobicContact CD2-CG 3.91Å; Y99-P168 HydrophobicContact CE1-CG 4.28Å; Y99-P168 HydrophobicContact CE2-CG 4.37Å; Y99-P168 HydrophobicContact CG-CG 3.61Å
100	S	98	Very high	97.1	Very high	49 Å²	49	44.2 Å²	44.2	34%	0.343	25%	0.254	S	S	.	.	S	Bend	trans	-84.2	-25.7	177	-53.4	0	0	0	0	112.5	R151	S100-R151 VanDerWaalsContact CA-NH1 3.26Å; S100-R151 VanDerWaalsContact N-NH1 3.2Å; S100-R151 WeakPolarHBondContact O-CB 2.9Å; S100-R151 PolarHBondContact O-N 2.92Å; S100-R151 VanDerWaalsContact OG-CZ 3.29Å; S100-R151 PolarHBondContact OG-NH1 3.02Å; S100-R151 VanDerWaalsContact OG-NH1 3.17Å; S100-R151 PolarHBondContact OG-NH2 3.19Å
101	Y	98.5	Very high	96.7	Very high	27 Å²	27	46.1 Å²	46.1	11%	0.106	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	153.3	-174.6	-58	-76	0	0	0	110.9	L149 K159 Y161	Y101-L149 VanDerWaalsContact CA-O 3.25Å; Y101-L149 WeakPolarHBondContact CA-O 3.37Å; Y101-K159 HydrophobicContact CE1-CB 4.32Å; Y101-K159 HydrophobicContact CE1-CD 3.87Å; Y101-K159 PolarHBondContact OH-NZ 3.28Å; Y101-Y161 HydrophobicContact CD2-CD2 4.43Å; Y101-Y161 HydrophobicContact CD2-CE1 4.26Å; Y101-Y161 HydrophobicContact CD2-CE2 4.03Å; Y101-Y161 AromaticContact CD2-CZ 3.94Å; Y101-Y161 HydrophobicContact CE2-CD2 4.22Å; Y101-Y161 AromaticContact CE2-CE2 3.67Å; Y101-Y161 HydrophobicContact CE2-CE2 3.67Å; Y101-Y161 AromaticContact CE2-CZ 3.93Å
102	V	98.9	Very high	96.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	129.8	175.9	-175.2	0	0	0	0	108.6	L54 V92 I95 G148 L149 F155 P168 V170	L54-V102 HydrophobicContact CD1-CG1 4.26Å; V92-V102 HydrophobicContact CB-CG2 4.2Å; V92-V102 HydrophobicContact CG1-CG1 4.09Å; V92-V102 HydrophobicContact CG1-CG2 4.38Å; I95-V102 HydrophobicContact CD1-CG2 3.75Å; V102-G148 CarbonylContact O-C 3.57Å; V102-G148 WeakPolarHBondContact O-CA 3.49Å; V102-L149 HydrophobicContact CB-CB 4.45Å; V102-L149 PolarHBondContact N-O 3.16Å; V102-L149 PolarHBondContact O-N 3.47Å; V102-F155 HydrophobicContact CG2-CD1 4.19Å; V102-F155 HydrophobicContact CG2-CE1 3.91Å; V102-P168 CarbonylContact C-O 3.56Å; V102-P168 WeakPolarHBondContact CA-O 3.39Å; V102-P168 WeakPolarHBondContact CG1-O 3.44Å; V102-P168 HydrophobicContact CG2-CG 4.18Å; V102-V170 HydrophobicContact CG1-CG2 4.02Å
103	W	98.9	Very high	96	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	140.6	-179.6	-67.7	139.2	0	0	0	113	K59 W61 L76 C146 Y161 N162 V165 L167 P168 V170	K59-W103 PolarHBondContact O-NE1 3.3Å; W61-W103 HydrophobicContact CB-CD2 4.26Å; W61-W103 HydrophobicContact CB-CZ2 4.27Å; W61-W103 AromaticContact CD1-CD2 3.98Å; W61-W103 AromaticContact CD1-CE3 3.88Å; L76-W103 HydrophobicContact CD1-CB 4.38Å; L76-W103 HydrophobicContact CD2-CB 4.19Å; W103-C146 HydrophobicContact CH2-CB 4.13Å; W103-C146 HydrophobicContact CZ3-CB 3.93Å; W103-Y161 AromaticContact CH2-CD1 3.73Å; W103-Y161 HydrophobicContact CH2-CD1 3.73Å; W103-Y161 HydrophobicContact CH2-CG 4.27Å; W103-Y161 HydrophobicContact CZ2-CD1 4.37Å; W103-Y161 HydrophobicContact CZ3-CD1 4.35Å; W103-N162 VanDerWaalsContact CH2-O 3.31Å; W103-N162 WeakPolarHBondContact CH2-O 3.36Å; W103-N162 WeakPolarHBondContact CZ2-O 3.48Å; W103-V165 HydrophobicContact CZ2-CB 4.37Å; W103-V165 VanDerWaalsContact CZ2-O 3.24Å; W103-V165 WeakPolarHBondContact CZ2-O 3.4Å; W103-V165 PolarHBondContact NE1-O 3.4Å; W103-V165 VanDerWaalsContact NE1-O 3.16Å; W103-L167 HydrophobicContact CD2-CB 4.2Å; W103-L167 HydrophobicContact CD2-CD1 3.77Å; W103-L167 HydrophobicContact CD2-CG 4.4Å; W103-L167 HydrophobicContact CE3-CD1 4Å; W103-L167 HydrophobicContact CG-CB 4.07Å; W103-L167 HydrophobicContact CG-CD1 4.44Å; W103-L167 HydrophobicContact CH2-CD1 3.95Å; W103-L167 HydrophobicContact CZ2-CD1 3.69Å; W103-L167 HydrophobicContact CZ2-CG 4.15Å; W103-L167 HydrophobicContact CZ3-CD1 4.08Å; W103-P168 PolarHBondContact N-O 3.07Å; W103-V170 PolarHBondContact O-N 3.41Å
104	I	98.9	Very high	95.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	170.7	168.8	61.2	172.5	0	0	0	108.7	W61 V77 L106 W122 A147 L149 W158	W61-I104 PolarHBondContact NE1-O 3.17Å; V77-I104 HydrophobicContact CG1-CB 3.97Å; V77-I104 HydrophobicContact CG1-CG2 3.63Å; I104-L106 HydrophobicContact CD1-CB 4.24Å; I104-L106 HydrophobicContact CG1-CB 4.29Å; I104-L106 PolarHBondContact O-N 3.22Å; I104-L106 VanDerWaalsContact O-N 3.09Å; I104-W122 HydrophobicContact CB-CZ3 4.43Å; I104-W122 HydrophobicContact CD1-CH2 4.05Å; I104-W122 HydrophobicContact CD1-CZ3 4.04Å; I104-W122 HydrophobicContact CG1-CZ3 4.33Å; I104-A147 HydrophobicContact CD1-CB 4.31Å; I104-A147 HydrophobicContact CG1-CB 4.28Å; I104-A147 VanDerWaalsContact CG1-O 3.31Å; I104-A147 WeakPolarHBondContact CG1-O 3.24Å; I104-A147 PolarHBondContact N-O 3.37Å; I104-L149 HydrophobicContact CD1-CD2 4.33Å; I104-L149 HydrophobicContact CG2-CD1 4.13Å; I104-L149 HydrophobicContact CG2-CD2 3.81Å; I104-L149 HydrophobicContact CG2-CG 3.61Å; I104-W158 HydrophobicContact CD1-CB 4.34Å; I104-W158 HydrophobicContact CD1-CD2 4.21Å; I104-W158 HydrophobicContact CD1-CG 3.81Å
105	G	98.8	Very high	95.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	8.6	-170.5	0	0	0	0	0	115.6	V77 W122 S123	V77-G105 PolarHBondContact O-N 2.59Å; G105-W122 CarbonylContact O-C 3.51Å; G105-W122 WeakPolarHBondContact O-CA 3.45Å; G105-S123 PolarHBondContact O-N 3.46Å
106	L	98.6	Very high	94.9	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	128	-175.8	-158	70.1	0	0	0	110.2	I104 W120 E121 W122 M128 W133 A147 W158	I104-L106 HydrophobicContact CD1-CB 4.24Å; I104-L106 HydrophobicContact CG1-CB 4.29Å; I104-L106 PolarHBondContact O-N 3.22Å; I104-L106 VanDerWaalsContact O-N 3.09Å; L106-W120 HydrophobicContact CD2-CE3 4.19Å; L106-W120 HydrophobicContact CG-CE3 3.84Å; L106-W120 HydrophobicContact CG-CZ3 4.42Å; L106-E121 WeakPolarHBondContact CA-O 3.38Å; L106-W122 HydrophobicContact CB-CE3 3.78Å; L106-W122 HydrophobicContact CB-CH2 4.06Å; L106-W122 HydrophobicContact CB-CZ3 3.52Å; L106-W122 HydrophobicContact CD1-CD2 3.6Å; L106-W122 HydrophobicContact CD1-CE3 3.72Å; L106-W122 HydrophobicContact CD1-CG 4.19Å; L106-W122 HydrophobicContact CD1-CH2 4.02Å; L106-W122 HydrophobicContact CD1-CZ2 3.91Å; L106-W122 HydrophobicContact CD1-CZ3 3.95Å; L106-W122 HydrophobicContact CD2-CH2 4.47Å; L106-W122 HydrophobicContact CG-CE3 4.35Å; L106-W122 HydrophobicContact CG-CH2 4.42Å; L106-W122 HydrophobicContact CG-CZ3 4.25Å; L106-M128 HydrophobicContact CD1-CE 3.64Å; L106-M128 HydrophobicContact CD1-SD 3.73Å; L106-M128 HydrophobicContact CD2-CE 3.85Å; L106-M128 HydrophobicContact CG-CE 4.27Å; L106-W133 HydrophobicContact CD2-CH2 3.49Å; L106-W133 VanDerWaalsContact CD2-CH2 3.49Å; L106-W133 HydrophobicContact CD2-CZ2 3.34Å; L106-W133 HydrophobicContact CD2-CZ3 4.38Å; L106-W133 HydrophobicContact CG-CH2 4.47Å; L106-W133 HydrophobicContact CG-CZ2 4.39Å; L106-A147 HydrophobicContact CB-CB 3.8Å; L106-A147 HydrophobicContact CD2-CB 4.02Å; L106-A147 HydrophobicContact CG-CB 4.35Å; L106-A147 PolarHBondContact O-N 3.38Å; L106-W158 HydrophobicContact CD2-CD2 4.39Å; L106-W158 HydrophobicContact CD2-CE3 3.66Å; L106-W158 HydrophobicContact CD2-CZ3 3.98Å
107	H	98.4	Very high	94.4	Very high	27 Å²	27	52.7 Å²	52.7	13%	0.125	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	166.3	176.2	71	101	0	0	0	111.3	W61 P109 W120 E121 H145	W61-H107 HydrophobicContact CH2-CB 3.91Å; W61-H107 AromaticContact CH2-CD2 3.21Å; W61-H107 WeakPolarHBondContact CH2-CD2 3.35Å; W61-H107 AromaticContact CH2-CG 3.53Å; W61-H107 AromaticContact CH2-NE2 3.78Å; W61-H107 HydrophobicContact CZ2-CB 3.69Å; W61-H107 AromaticContact CZ2-CD2 3.4Å; W61-H107 VanDerWaalsContact CZ2-CD2 3.4Å; W61-H107 WeakPolarHBondContact CZ2-CD2 3.11Å; W61-H107 AromaticContact CZ2-CG 3.73Å; W61-H107 HydrophobicContact CZ3-CB 4.41Å; H107-P109 WeakPolarHBondContact ND1-CD 3.07Å; H107-W120 CarbonylContact O-C 3.57Å; H107-W120 WeakPolarHBondContact O-CA 3.04Å; H107-E121 IonicContact CE1-OE1 3.83Å; H107-E121 PolarHBondContact N-O 3.03Å; H107-E121 IonicContact NE2-OE1 3.59Å; H107-E121 PolarHBondContact O-N 3.09Å; H107-H145 CarbonylContact C-O 3.5Å; H107-H145 VanDerWaalsContact CA-O 3.24Å; H107-H145 WeakPolarHBondContact CA-O 3.47Å; H107-H145 WeakPolarHBondContact CB-O 3.4Å
108	D	97.5	Very high	94.2	Very high	5 Å²	5	50.7 Å²	50.7	3%	0.027	30%	0.296	C	S	.	.			trans	-117.8	96.3	173.3	176.1	0.4	0	0	0	108.9	T110 Q111 G112 W120 H145	D108-T110 PolarHBondContact O-N 2.82Å; D108-T110 WeakPolarHBondContact OD1-CA 3.47Å; D108-T110 WeakPolarHBondContact OD1-CB 3.32Å; D108-T110 PolarHBondContact OD1-N 3.07Å; D108-T110 PolarHBondContact OD1-OG1 3.08Å; D108-Q111 PolarHBondContact O-N 2.88Å; D108-Q111 PolarHBondContact O-OE1 3.25Å; D108-Q111 PolarHBondContact OD1-N 3.23Å; D108-G112 VanDerWaalsContact OD2-CA 3.3Å; D108-G112 WeakPolarHBondContact OD2-CA 3.39Å; D108-G112 PolarHBondContact OD2-N 2.93Å; D108-W120 HydrophobicContact CB-CD2 3.92Å; D108-W120 HydrophobicContact CB-CE3 4.23Å; D108-W120 HydrophobicContact CB-CG 4.18Å; D108-W120 HydrophobicContact CB-CZ2 4.45Å; D108-H145 HydrophobicContact CB-CB 4.49Å; D108-H145 PolarHBondContact N-O 2.82Å
109	P	95.9	Very high	94.1	Very high	66 Å²	66	46.7 Å²	46.7	43%	0.429	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-16.2	179.1	31.6	-37	0	0	0	113	H107 Q111 G119 E121	H107-P109 WeakPolarHBondContact ND1-CD 3.07Å; P109-Q111 PolarHBondContact O-N 2.91Å; P109-G119 VanDerWaalsContact CD-O 3.3Å; P109-G119 WeakPolarHBondContact CD-O 3.35Å; P109-E121 HydrophobicContact CG-CG 4.22Å; P109-E121 WeakPolarHBondContact CG-OE1 3.41Å
110	T	95.2	Very high	94.1	Very high	36 Å²	36	44.5 Å²	44.5	22%	0.221	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-5.6	179	80.8	0	0	0	0	111.7	D108 G112 T113 E114	D108-T110 PolarHBondContact O-N 2.82Å; D108-T110 WeakPolarHBondContact OD1-CA 3.47Å; D108-T110 WeakPolarHBondContact OD1-CB 3.32Å; D108-T110 PolarHBondContact OD1-N 3.07Å; D108-T110 PolarHBondContact OD1-OG1 3.08Å; T110-G112 PolarHBondContact O-N 2.84Å; T110-T113 WeakPolarHBondContact CB-OG1 3.48Å; T110-T113 VanDerWaalsContact O-CG2 3.31Å; T110-T113 WeakPolarHBondContact O-CG2 3.31Å; T110-T113 PolarHBondContact O-N 3.28Å; T110-T113 VanDerWaalsContact O-N 3.11Å; T110-T113 PolarHBondContact O-OG1 2.87Å; T110-E114 HydrophobicContact CG2-CG 3.68Å; T110-E114 PolarHBondContact OG1-N 2.03Å
111	Q	91.3	Very high	94.1	Very high	114 Å²	114	46.9 Å²	46.9	53%	0.533	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	37.6	179.1	-55.9	-73.3	97.4	0	0	111.9	D108 P109 T113 H145	D108-Q111 PolarHBondContact O-N 2.88Å; D108-Q111 PolarHBondContact O-OE1 3.25Å; D108-Q111 PolarHBondContact OD1-N 3.23Å; P109-Q111 PolarHBondContact O-N 2.91Å; Q111-T113 VanDerWaalsContact C-N 3.34Å; Q111-H145 WeakPolarHBondContact CA-ND1 3.21Å; Q111-H145 PolarHBondContact NE2-CD2 3.38Å; Q111-H145 VanDerWaalsContact NE2-CD2 3.33Å; Q111-H145 PolarHBondContact O-CE1 2.97Å; Q111-H145 VanDerWaalsContact O-CE1 3.27Å
112	G	90.5	Very high	94.1	Very high	41 Å²	41	45.8 Å²	45.8	42%	0.423	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	76	13.5	179.8	0	0	0	0	0	115.2	D108 T110 E114	D108-G112 VanDerWaalsContact OD2-CA 3.3Å; D108-G112 WeakPolarHBondContact OD2-CA 3.39Å; D108-G112 PolarHBondContact OD2-N 2.93Å; T110-G112 PolarHBondContact O-N 2.84Å; G112-E114 VanDerWaalsContact C-N 3.32Å
113	T	90.4	Very high	94.1	Very high	113 Å²	113	46.9 Å²	46.9	69%	0.693	27%	0.269	S	S	*	.			trans	-74.1	-24.8	175.2	59.9	0	0	0	0	112.8	T110 Q111	T110-T113 WeakPolarHBondContact CB-OG1 3.48Å; T110-T113 VanDerWaalsContact O-CG2 3.31Å; T110-T113 WeakPolarHBondContact O-CG2 3.31Å; T110-T113 PolarHBondContact O-N 3.28Å; T110-T113 VanDerWaalsContact O-N 3.11Å; T110-T113 PolarHBondContact O-OG1 2.87Å; Q111-T113 VanDerWaalsContact C-N 3.34Å
114	E	91.3	Very high	94.1	Very high	94 Å²	94	48.2 Å²	48.2	44%	0.439	28%	0.279	S	S	.	.	S	Bend	trans	-73.7	135.7	173.3	-68.3	-59.9	145.8	0	0	111.2	T110 G112 D118	T110-E114 HydrophobicContact CG2-CG 3.68Å; T110-E114 PolarHBondContact OG1-N 2.03Å; G112-E114 VanDerWaalsContact C-N 3.32Å; E114-D118 HydrophobicContact CB-CB 4.43Å
115	P	86.7	Confident	94	Very high	78 Å²	78	53.5 Å²	53.5	51%	0.506	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-64.9	158.8	-179.3	29.9	-35	0	0	0	110.9	G117 D118	P115-G117 PolarHBondContact O-N 3.3Å; P115-D118 WeakPolarHBondContact O-CB 3.39Å; P115-D118 PolarHBondContact O-N 2.91Å
116	N	84.8	Confident	94	Very high	123 Å²	123	56.1 Å²	56.1	66%	0.658	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	57	10.6	173.9	-50	-50.8	0	0	0	116.2	S138	N116-S138 VanDerWaalsContact C-CB 3.46Å; N116-S138 VanDerWaalsContact O-CB 3.31Å; N116-S138 WeakPolarHBondContact O-CB 3.05Å
117	G	82.8	Confident	93.9	Very high	20 Å²	20	61.5 Å²	61.5	21%	0.206	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	75.3	26.4	-173.2	0	0	0	0	0	113.1	P115 G119 W120	P115-G117 PolarHBondContact O-N 3.3Å; G117-G119 PolarHBondContact O-N 3.39Å; G117-W120 VanDerWaalsContact O-CD1 3.29Å
118	D	89.4	Confident	93.7	Very high	114 Å²	114	62 Å²	62	61%	0.61	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-4.3	-179.4	-66.8	-26.1	0	0	0	113.2	E114 P115 W120	E114-D118 HydrophobicContact CB-CB 4.43Å; P115-D118 WeakPolarHBondContact O-CB 3.39Å; P115-D118 PolarHBondContact O-N 2.91Å; D118-W120 VanDerWaalsContact C-N 3.34Å
119	G	94.1	Very high	93.6	Very high	7 Å²	7	67.1 Å²	67.1	7%	0.072	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-10.2	177.1	0	0	0	0	0	115	P109 G117	P109-G119 VanDerWaalsContact CD-O 3.3Å; P109-G119 WeakPolarHBondContact CD-O 3.35Å; G117-G119 PolarHBondContact O-N 3.39Å
120	W	97.2	Very high	93.7	Very high	21 Å²	21	67.1 Å²	67.1	8%	0.08	39%	0.385	C	S	.	.			trans	-73.2	130.9	-176.6	-72.3	85.8	0	0	0	112.5	L106 H107 D108 G117 D118 M128 W133 P137 A147 D160	L106-W120 HydrophobicContact CD2-CE3 4.19Å; L106-W120 HydrophobicContact CG-CE3 3.84Å; L106-W120 HydrophobicContact CG-CZ3 4.42Å; H107-W120 CarbonylContact O-C 3.57Å; H107-W120 WeakPolarHBondContact O-CA 3.04Å; D108-W120 HydrophobicContact CB-CD2 3.92Å; D108-W120 HydrophobicContact CB-CE3 4.23Å; D108-W120 HydrophobicContact CB-CG 4.18Å; D108-W120 HydrophobicContact CB-CZ2 4.45Å; G117-W120 VanDerWaalsContact O-CD1 3.29Å; D118-W120 VanDerWaalsContact C-N 3.34Å; W120-M128 HydrophobicContact CB-CE 4.11Å; W120-M128 HydrophobicContact CB-SD 4.13Å; W120-W133 HydrophobicContact CB-CZ2 4.4Å; W120-W133 AromaticContact CD2-CH2 3.56Å; W120-W133 HydrophobicContact CD2-CH2 3.56Å; W120-W133 AromaticContact CD2-CZ2 3.63Å; W120-W133 HydrophobicContact CD2-CZ2 3.63Å; W120-W133 AromaticContact CE2-CH2 3.65Å; W120-W133 AromaticContact CE2-CZ2 3.95Å; W120-W133 AromaticContact CE3-CH2 3.58Å; W120-W133 HydrophobicContact CE3-CH2 3.58Å; W120-W133 AromaticContact CE3-CZ2 3.95Å; W120-W133 HydrophobicContact CE3-CZ2 3.95Å; W120-W133 HydrophobicContact CG-CH2 4.29Å; W120-W133 AromaticContact CG-CZ2 3.86Å; W120-W133 HydrophobicContact CG-CZ2 3.86Å; W120-W133 AromaticContact CH2-CH2 3.71Å; W120-W133 HydrophobicContact CH2-CH2 3.71Å; W120-W133 HydrophobicContact CH2-CZ3 4.33Å; W120-W133 AromaticContact CZ2-CH2 3.73Å; W120-W133 HydrophobicContact CZ2-CH2 3.73Å; W120-W133 HydrophobicContact CZ2-CZ2 4.48Å; W120-W133 HydrophobicContact CZ2-CZ3 4.39Å; W120-W133 AromaticContact CZ3-CH2 3.64Å; W120-W133 HydrophobicContact CZ3-CH2 3.64Å; W120-W133 HydrophobicContact CZ3-CZ2 4.46Å; W120-P137 HydrophobicContact CZ2-CB 4.18Å; W120-A147 HydrophobicContact CH2-CB 4.33Å; W120-A147 HydrophobicContact CZ3-CB 3.85Å; W120-D160 HydrophobicContact CH2-CB 3.84Å; W120-D160 HydrophobicContact CZ2-CB 3.86Å
121	E	98.1	Very high	93.8	Very high	98 Å²	98	71.1 Å²	71.1	46%	0.458	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	163.6	178.2	65.2	179.1	-161.3	0	0	112.4	L106 H107 P109	L106-E121 WeakPolarHBondContact CA-O 3.38Å; H107-E121 IonicContact CE1-OE1 3.83Å; H107-E121 PolarHBondContact N-O 3.03Å; H107-E121 IonicContact NE2-OE1 3.59Å; H107-E121 PolarHBondContact O-N 3.09Å; P109-E121 HydrophobicContact CG-CG 4.22Å; P109-E121 WeakPolarHBondContact CG-OE1 3.41Å
122	W	98.7	Very high	94.1	Very high	4 Å²	4	65.9 Å²	65.9	2%	0.015	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	134.9	171.8	-65.6	113.6	0	0	0	110.6	V77 V79 I104 G105 L106 S124 S125 D126 W158	V77-W122 WeakPolarHBondContact O-CZ3 3.32Å; V79-W122 HydrophobicContact CB-CH2 3.98Å; V79-W122 HydrophobicContact CB-CZ2 4.27Å; V79-W122 HydrophobicContact CG2-CH2 4.37Å; V79-W122 VanDerWaalsContact N-CH2 3.29Å; V79-W122 VanDerWaalsContact N-CZ2 3.35Å; V79-W122 VanDerWaalsContact O-CZ2 3.26Å; V79-W122 WeakPolarHBondContact O-CZ2 3.15Å; I104-W122 HydrophobicContact CB-CZ3 4.43Å; I104-W122 HydrophobicContact CD1-CH2 4.05Å; I104-W122 HydrophobicContact CD1-CZ3 4.04Å; I104-W122 HydrophobicContact CG1-CZ3 4.33Å; G105-W122 CarbonylContact O-C 3.51Å; G105-W122 WeakPolarHBondContact O-CA 3.45Å; L106-W122 HydrophobicContact CB-CE3 3.78Å; L106-W122 HydrophobicContact CB-CH2 4.06Å; L106-W122 HydrophobicContact CB-CZ3 3.52Å; L106-W122 HydrophobicContact CD1-CD2 3.6Å; L106-W122 HydrophobicContact CD1-CE3 3.72Å; L106-W122 HydrophobicContact CD1-CG 4.19Å; L106-W122 HydrophobicContact CD1-CH2 4.02Å; L106-W122 HydrophobicContact CD1-CZ2 3.91Å; L106-W122 HydrophobicContact CD1-CZ3 3.95Å; L106-W122 HydrophobicContact CD2-CH2 4.47Å; L106-W122 HydrophobicContact CG-CE3 4.35Å; L106-W122 HydrophobicContact CG-CH2 4.42Å; L106-W122 HydrophobicContact CG-CZ3 4.25Å; W122-S124 PolarHBondContact O-N 3.12Å; W122-S124 VanDerWaalsContact O-N 3.12Å; W122-S125 PolarHBondContact O-N 3.03Å; W122-D126 HydrophobicContact CB-CB 4.39Å; W122-D126 HydrophobicContact CG-CB 4.42Å; W122-W158 HydrophobicContact CH2-CH2 4.07Å; W122-W158 HydrophobicContact CH2-CZ2 4.03Å; W122-W158 AromaticContact CZ2-CH2 3.72Å; W122-W158 HydrophobicContact CZ2-CH2 3.72Å; W122-W158 HydrophobicContact CZ2-CZ2 4.05Å; W122-W158 HydrophobicContact CZ2-CZ3 4.27Å
123	S	98.6	Very high	94.4	Very high	23 Å²	23	65.3 Å²	65.3	16%	0.161	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-21.8	174.3	66.4	0	0	0	0	113.7	D65 N75 G105 S125	D65-S123 WeakPolarHBondContact OD1-CB 3.38Å; D65-S123 PolarHBondContact OD1-OG 2.87Å; N75-S123 PolarHBondContact ND2-O 3.19Å; G105-S123 PolarHBondContact O-N 3.46Å; S123-S125 PolarHBondContact O-N 3.12Å
124	S	98.3	Very high	94.7	Very high	28 Å²	28	62.2 Å²	62.2	20%	0.196	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-3.7	172.6	60	0	0	0	0	114.3	S78 W122 D126	S78-S124 WeakPolarHBondContact CB-OG 3.15Å; W122-S124 PolarHBondContact O-N 3.12Å; W122-S124 VanDerWaalsContact O-N 3.12Å; S124-D126 WeakPolarHBondContact CB-OD2 3.34Å; S124-D126 PolarHBondContact O-N 3.08Å; S124-D126 VanDerWaalsContact OG-CG 3.27Å; S124-D126 PolarHBondContact OG-N 3.05Å; S124-D126 PolarHBondContact OG-OD2 3.05Å
125	S	97.6	Very high	94.8	Very high	111 Å²	111	66.1 Å²	66.1	78%	0.776	35%	0.348	S	S	*	.			trans	60.4	16.8	-170.8	-50.4	0	0	0	0	114.5	W122 S123	W122-S125 PolarHBondContact O-N 3.03Å; S123-S125 PolarHBondContact O-N 3.12Å
126	D	98	Very high	95	Very high	56 Å²	56	66.4 Å²	66.4	30%	0.299	35%	0.346	S	S	.	.			trans	-64.3	149.9	171.9	-73.6	-56.8	0	0	0	111	S78 L80 W122 S124 M128	S78-D126 WeakPolarHBondContact CB-OD2 3.44Å; S78-D126 PolarHBondContact OG-OD2 3.39Å; L80-D126 HydrophobicContact CD1-CB 4.12Å; L80-D126 HydrophobicContact CD2-CB 3.81Å; W122-D126 HydrophobicContact CB-CB 4.39Å; W122-D126 HydrophobicContact CG-CB 4.42Å; S124-D126 WeakPolarHBondContact CB-OD2 3.34Å; S124-D126 PolarHBondContact O-N 3.08Å; S124-D126 VanDerWaalsContact OG-CG 3.27Å; S124-D126 PolarHBondContact OG-N 3.05Å; S124-D126 PolarHBondContact OG-OD2 3.05Å; D126-M128 PolarHBondContact O-N 3.18Å
127	V	97	Very high	95	Very high	112 Å²	112	61 Å²	61	68%	0.679	32%	0.318	S	S	*	.			trans	-68.4	123.4	177.6	179.7	0	0	0	0	110.3	N129	V127-N129 HydrophobicContact CG1-CB 4.38Å; V127-N129 PolarHBondContact O-N 2.84Å; V127-N129 VanDerWaalsContact O-N 3.1Å
128	M	94.8	Very high	95.2	Very high	38 Å²	38	62.8 Å²	62.8	19%	0.187	33%	0.327	C	S	.	.			trans	-81.1	87.3	175.8	-170.1	174.3	-175.9	0	0	111	L106 W120 D126 F131 W133 W158	L106-M128 HydrophobicContact CD1-CE 3.64Å; L106-M128 HydrophobicContact CD1-SD 3.73Å; L106-M128 HydrophobicContact CD2-CE 3.85Å; L106-M128 HydrophobicContact CG-CE 4.27Å; W120-M128 HydrophobicContact CB-CE 4.11Å; W120-M128 HydrophobicContact CB-SD 4.13Å; D126-M128 PolarHBondContact O-N 3.18Å; M128-F131 HydrophobicContact CE-CD1 3.73Å; M128-F131 HydrophobicContact CE-CE1 3.63Å; M128-F131 HydrophobicContact CG-CD1 4.47Å; M128-F131 HydrophobicContact CG-CE1 3.81Å; M128-F131 HydrophobicContact CG-CZ 4.09Å; M128-F131 WeakPolarHBondContact O-CZ 3.31Å; M128-F131 HydrophobicContact SD-CE1 4.09Å; M128-W133 HydrophobicContact CE-CZ2 4.2Å; M128-W158 HydrophobicContact CE-CZ3 4.33Å
129	N	95	Very high	95.2	Very high	113 Å²	113	62 Å²	62	60%	0.604	33%	0.326	S	S	*	.			trans	-117.2	-7	177.5	64.1	-1.1	0	0	0	113.9	V127	V127-N129 HydrophobicContact CG1-CB 4.38Å; V127-N129 PolarHBondContact O-N 2.84Å; V127-N129 VanDerWaalsContact O-N 3.1Å
130	Y	97.6	Very high	94.8	Very high	66 Å²	66	63.9 Å²	63.9	26%	0.259	33%	0.334	S	S	.	.			trans	-112.1	139.6	173.5	176.1	-105.8	0	0	0	109.1	V79 L80 G82 A132 W158	V79-Y130 HydrophobicContact CG1-CD1 4.12Å; V79-Y130 HydrophobicContact CG1-CE1 3.92Å; V79-Y130 WeakPolarHBondContact O-CD1 3.42Å; L80-Y130 WeakPolarHBondContact O-CB 3.08Å; G82-Y130 WeakPolarHBondContact CA-OH 3.37Å; Y130-A132 HydrophobicContact CE1-CB 3.79Å; Y130-W158 AromaticContact CD1-CH2 3.72Å; Y130-W158 HydrophobicContact CD1-CH2 3.72Å; Y130-W158 AromaticContact CD1-CZ2 3.63Å; Y130-W158 HydrophobicContact CD1-CZ2 3.63Å; Y130-W158 HydrophobicContact CE1-CH2 4.15Å; Y130-W158 AromaticContact CE1-CZ2 3.67Å; Y130-W158 HydrophobicContact CE1-CZ2 3.67Å; Y130-W158 WeakPolarHBondContact O-CH2 3.46Å
131	F	96.9	Very high	94.1	Very high	120 Å²	120	69 Å²	69	53%	0.526	37%	0.373	S	S	.	.			trans	-135.6	122.1	-175.6	-57.4	-93.1	0	0	0	109.9	M128	M128-F131 HydrophobicContact CE-CD1 3.73Å; M128-F131 HydrophobicContact CE-CE1 3.63Å; M128-F131 HydrophobicContact CG-CD1 4.47Å; M128-F131 HydrophobicContact CG-CE1 3.81Å; M128-F131 HydrophobicContact CG-CZ 4.09Å; M128-F131 WeakPolarHBondContact O-CZ 3.31Å; M128-F131 HydrophobicContact SD-CE1 4.09Å
132	A	97.9	Very high	93.5	Very high	3 Å²	3	71.4 Å²	71.4	3%	0.025	39%	0.389	C	S	.	.			trans	-128.6	36.1	177.8	0	0	0	0	0	112.8	Y130 E134 R157 W158	Y130-A132 HydrophobicContact CE1-CB 3.79Å; A132-E134 PolarHBondContact O-N 3.45Å; A132-R157 CarbonylContact O-C 3.56Å; A132-R157 WeakPolarHBondContact O-CA 3.29Å; A132-R157 WeakPolarHBondContact O-CB 3.28Å; A132-W158 HydrophobicContact CB-CD2 3.99Å; A132-W158 HydrophobicContact CB-CE3 4.47Å; A132-W158 HydrophobicContact CB-CG 4.44Å; A132-W158 HydrophobicContact CB-CH2 4.38Å; A132-W158 HydrophobicContact CB-CZ2 3.85Å; A132-W158 VanDerWaalsContact N-CZ3 3.34Å; A132-W158 PolarHBondContact O-N 2.98Å
133	W	97.5	Very high	93	Very high	29 Å²	29	73.3 Å²	73.3	11%	0.11	40%	0.402	C	S	.	.	B	Isolated β-bridge	trans	-58.5	130.2	178.1	-69.3	116.4	0	0	0	113.7	L106 W120 M128 R135 P137 A147 R157 W158	L106-W133 HydrophobicContact CD2-CH2 3.49Å; L106-W133 VanDerWaalsContact CD2-CH2 3.49Å; L106-W133 HydrophobicContact CD2-CZ2 3.34Å; L106-W133 HydrophobicContact CD2-CZ3 4.38Å; L106-W133 HydrophobicContact CG-CH2 4.47Å; L106-W133 HydrophobicContact CG-CZ2 4.39Å; W120-W133 HydrophobicContact CB-CZ2 4.4Å; W120-W133 AromaticContact CD2-CH2 3.56Å; W120-W133 HydrophobicContact CD2-CH2 3.56Å; W120-W133 AromaticContact CD2-CZ2 3.63Å; W120-W133 HydrophobicContact CD2-CZ2 3.63Å; W120-W133 AromaticContact CE2-CH2 3.65Å; W120-W133 AromaticContact CE2-CZ2 3.95Å; W120-W133 AromaticContact CE3-CH2 3.58Å; W120-W133 HydrophobicContact CE3-CH2 3.58Å; W120-W133 AromaticContact CE3-CZ2 3.95Å; W120-W133 HydrophobicContact CE3-CZ2 3.95Å; W120-W133 HydrophobicContact CG-CH2 4.29Å; W120-W133 AromaticContact CG-CZ2 3.86Å; W120-W133 HydrophobicContact CG-CZ2 3.86Å; W120-W133 AromaticContact CH2-CH2 3.71Å; W120-W133 HydrophobicContact CH2-CH2 3.71Å; W120-W133 HydrophobicContact CH2-CZ3 4.33Å; W120-W133 AromaticContact CZ2-CH2 3.73Å; W120-W133 HydrophobicContact CZ2-CH2 3.73Å; W120-W133 HydrophobicContact CZ2-CZ2 4.48Å; W120-W133 HydrophobicContact CZ2-CZ3 4.39Å; W120-W133 AromaticContact CZ3-CH2 3.64Å; W120-W133 HydrophobicContact CZ3-CH2 3.64Å; W120-W133 HydrophobicContact CZ3-CZ2 4.46Å; M128-W133 HydrophobicContact CE-CZ2 4.2Å; W133-R135 VanDerWaalsContact C-N 3.31Å; W133-R135 WeakPolarHBondContact CB-O 3.48Å; W133-P137 HydrophobicContact CD2-CG 4.01Å; W133-P137 HydrophobicContact CE3-CG 4.38Å; W133-P137 HydrophobicContact CG-CG 4.46Å; W133-P137 HydrophobicContact CH2-CB 4.49Å; W133-P137 HydrophobicContact CH2-CG 4.3Å; W133-P137 HydrophobicContact CZ2-CG 3.9Å; W133-A147 HydrophobicContact CH2-CB 3.99Å; W133-A147 HydrophobicContact CZ3-CB 4.02Å; W133-R157 PolarHBondContact O-NE 2.82Å; W133-R157 PolarHBondContact O-NH2 3.25Å; W133-W158 CarbonylContact C-O 3.58Å; W133-W158 HydrophobicContact CD2-CE3 4.22Å; W133-W158 HydrophobicContact CE3-CB 3.95Å; W133-W158 HydrophobicContact CG-CE3 4.49Å; W133-W158 HydrophobicContact CZ3-CB 4.19Å
134	E	96.3	Very high	92.8	Very high	49 Å²	49	72.7 Å²	72.7	23%	0.229	40%	0.4	C	S	.	.	S	Bend	trans	-61.9	-41.7	171.1	-174.9	-179.4	143.8	0	0	110.9	A132 S150 T153 R157 W158	A132-E134 PolarHBondContact O-N 3.45Å; E134-S150 WeakPolarHBondContact OE2-CB 3.31Å; E134-S150 PolarHBondContact OE2-OG 3.12Å; E134-T153 HydrophobicContact CG-CG2 3.98Å; E134-R157 HydrophobicContact CB-CB 4.1Å; E134-W158 WeakPolarHBondContact CB-O 3.08Å; E134-W158 PolarHBondContact N-O 2.87Å
135	R	93.4	Very high	92.7	Very high	175 Å²	175	73.3 Å²	73.3	66%	0.66	40%	0.399	S	S	*	.	S	Bend	trans	-138.7	149	170.7	-65	-176.3	-174.2	-179.7	-0.4	108.4	W133 P137	W133-R135 VanDerWaalsContact C-N 3.31Å; W133-R135 WeakPolarHBondContact CB-O 3.48Å; R135-P137 WeakPolarHBondContact O-CD 3.34Å; R135-P137 VanDerWaalsContact O-N 3.16Å
136	N	90.8	Very high	92.7	Very high	84 Å²	84	68.2 Å²	68.2	45%	0.449	36%	0.363	S	S	.	.			trans	-60	118.6	177	-177.3	-10.5	0	0	0	109.6	S138 T139	N136-S138 VanDerWaalsContact CG-OG 3.29Å; N136-S138 PolarHBondContact ND2-OG 3.31Å; N136-S138 PolarHBondContact O-N 2.69Å; N136-S138 WeakPolarHBondContact OD1-CB 3.45Å; N136-S138 PolarHBondContact OD1-N 3.36Å; N136-S138 PolarHBondContact OD1-OG 2.85Å; N136-S138 VanDerWaalsContact OD1-OG 3.05Å; N136-T139 HydrophobicContact CB-CG2 4.02Å; N136-T139 PolarHBondContact O-N 2.82Å; N136-T139 VanDerWaalsContact O-N 3.08Å; N136-T139 PolarHBondContact O-OG1 2.74Å
137	P	86	Confident	92.8	Very high	11 Å²	11	65.5 Å²	65.5	7%	0.071	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-59.7	-27.8	-177.5	24.8	-35.4	0	0	0	112.9	W120 W133 R135 T139 I140	W120-P137 HydrophobicContact CZ2-CB 4.18Å; W133-P137 HydrophobicContact CD2-CG 4.01Å; W133-P137 HydrophobicContact CE3-CG 4.38Å; W133-P137 HydrophobicContact CG-CG 4.46Å; W133-P137 HydrophobicContact CH2-CB 4.49Å; W133-P137 HydrophobicContact CH2-CG 4.3Å; W133-P137 HydrophobicContact CZ2-CG 3.9Å; R135-P137 WeakPolarHBondContact O-CD 3.34Å; R135-P137 VanDerWaalsContact O-N 3.16Å; P137-T139 PolarHBondContact O-N 2.73Å; P137-T139 VanDerWaalsContact O-N 3.12Å; P137-I140 PolarHBondContact O-N 2.86Å
138	S	87	Confident	92.8	Very high	56 Å²	56	60.2 Å²	60.2	39%	0.392	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-68.2	-10.2	178.6	81.4	0	0	0	0	114.4	N116 N136	N116-S138 VanDerWaalsContact C-CB 3.46Å; N116-S138 VanDerWaalsContact O-CB 3.31Å; N116-S138 WeakPolarHBondContact O-CB 3.05Å; N136-S138 VanDerWaalsContact CG-OG 3.29Å; N136-S138 PolarHBondContact ND2-OG 3.31Å; N136-S138 PolarHBondContact O-N 2.69Å; N136-S138 WeakPolarHBondContact OD1-CB 3.45Å; N136-S138 PolarHBondContact OD1-N 3.36Å; N136-S138 PolarHBondContact OD1-OG 2.85Å; N136-S138 VanDerWaalsContact OD1-OG 3.05Å
139	T	87.6	Confident	93	Very high	97 Å²	97	58.6 Å²	58.6	60%	0.595	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-103	3.7	-176.3	65.3	0	0	0	0	113.3	N136 P137	N136-T139 HydrophobicContact CB-CG2 4.02Å; N136-T139 PolarHBondContact O-N 2.82Å; N136-T139 VanDerWaalsContact O-N 3.08Å; N136-T139 PolarHBondContact O-OG1 2.74Å; P137-T139 PolarHBondContact O-N 2.73Å; P137-T139 VanDerWaalsContact O-N 3.12Å
140	I	86	Confident	93.2	Very high	47 Å²	47	53.2 Å²	53.2	24%	0.241	28%	0.28	C	S	.	.			trans	-97.3	125.6	-171.6	-57.4	178.8	0	0	0	109.4	P137 N142 P143 D160	P137-I140 PolarHBondContact O-N 2.86Å; I140-N142 VanDerWaalsContact C-N 3.31Å; I140-N142 PolarHBondContact O-N 2.72Å; I140-P143 HydrophobicContact CB-CB 4.19Å; I140-P143 HydrophobicContact CG2-CB 4.12Å; I140-P143 WeakPolarHBondContact O-CD 2.94Å; I140-D160 WeakPolarHBondContact CD1-OD1 3.42Å
141	S	83	Confident	93.2	Very high	130 Å²	130	54.1 Å²	54.1	91%	0.909	28%	0.283	S	S	*	.	S	Bend	trans	-72.9	-20.2	-174.2	-44.8	0	0	0	0	114.6
142	N	85.4	Confident	93.2	Very high	148 Å²	148	54 Å²	54	79%	0.791	29%	0.288	S	S	*	.	S	Bend	trans	-145.6	73.7	176.3	-176.2	36.1	0	0	0	108.5	I140	I140-N142 VanDerWaalsContact C-N 3.31Å; I140-N142 PolarHBondContact O-N 2.72Å
143	P	88.4	Confident	93.2	Very high	43 Å²	43	55.3 Å²	55.3	28%	0.279	30%	0.296	S	S	.	.			trans	-72.9	149.3	-173.3	31.1	-33	0	0	0	110.8	I140 D160	I140-P143 HydrophobicContact CB-CB 4.19Å; I140-P143 HydrophobicContact CG2-CB 4.12Å; I140-P143 WeakPolarHBondContact O-CD 2.94Å; P143-D160 VanDerWaalsContact CA-OD2 3.26Å; P143-D160 WeakPolarHBondContact CA-OD2 3.31Å
144	G	93.5	Very high	93.2	Very high	11 Å²	11	56.8 Å²	56.8	11%	0.113	31%	0.314	C	S	.	.			trans	-73.7	165.3	154.8	0	0	0	0	0	111.1	D160 Y161	G144-D160 PolarHBondContact N-OD2 2.86Å; G144-Y161 VanDerWaalsContact CA-O 3.3Å; G144-Y161 WeakPolarHBondContact CA-O 3.4Å
145	H	97	Very high	93.3	Very high	40 Å²	40	54.6 Å²	54.6	19%	0.185	30%	0.304	C	S	.	.	S	Bend	trans	-114.6	9.3	-179.9	-55.9	-65.1	0	0	0	113.1	H107 D108 Q111 Y161 C163	H107-H145 CarbonylContact C-O 3.5Å; H107-H145 VanDerWaalsContact CA-O 3.24Å; H107-H145 WeakPolarHBondContact CA-O 3.47Å; H107-H145 WeakPolarHBondContact CB-O 3.4Å; D108-H145 HydrophobicContact CB-CB 4.49Å; D108-H145 PolarHBondContact N-O 2.82Å; Q111-H145 WeakPolarHBondContact CA-ND1 3.21Å; Q111-H145 PolarHBondContact NE2-CD2 3.38Å; Q111-H145 VanDerWaalsContact NE2-CD2 3.33Å; Q111-H145 PolarHBondContact O-CE1 2.97Å; Q111-H145 VanDerWaalsContact O-CE1 3.27Å; H145-Y161 PolarHBondContact N-O 2.92Å; H145-C163 VanDerWaalsContact C-SG 3.55Å
146	C	98.5	Very high	93.6	Very high	4 Å²	4	50.2 Å²	50.2	3%	0.027	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	142.9	174.1	-65	0	0	0	0	109.3	W61 W103 D160 Y161 C163	W61-C146 HydrophobicContact CB-CB 3.93Å; W61-C146 VanDerWaalsContact CB-SG 3.56Å; W61-C146 HydrophobicContact CD2-CB 4.31Å; W61-C146 HydrophobicContact CG-CB 3.66Å; W103-C146 HydrophobicContact CH2-CB 4.13Å; W103-C146 HydrophobicContact CZ3-CB 3.93Å; C146-D160 CarbonylContact O-C 3.59Å; C146-D160 WeakPolarHBondContact O-CA 3.24Å; C146-Y161 PolarHBondContact N-O 3.3Å; C146-Y161 PolarHBondContact O-N 2.61Å; C146-Y161 VanDerWaalsContact O-O 3.13Å; C146-C163 HydrophobicContact CB-CB 3.96Å; C146-C163 WeakPolarHBondContact CB-SG 3.39Å; C146-C163 PolarHBondContact N-SG 2.86Å; C146-C163 VanDerWaalsContact N-SG 3.39Å; C146-C163 WeakPolarHBondContact SG-CB 3.5Å; C146-C163 CovalentContact SG-SG 2.03Å; C146-C163 PolarHBondContact SG-SG 3.25Å
147	A	98.3	Very high	93.9	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	146.2	-178.3	0	0	0	0	0	112.6	I104 L106 W120 W133 K159	I104-A147 HydrophobicContact CD1-CB 4.31Å; I104-A147 HydrophobicContact CG1-CB 4.28Å; I104-A147 VanDerWaalsContact CG1-O 3.31Å; I104-A147 WeakPolarHBondContact CG1-O 3.24Å; I104-A147 PolarHBondContact N-O 3.37Å; L106-A147 HydrophobicContact CB-CB 3.8Å; L106-A147 HydrophobicContact CD2-CB 4.02Å; L106-A147 HydrophobicContact CG-CB 4.35Å; L106-A147 PolarHBondContact O-N 3.38Å; W120-A147 HydrophobicContact CH2-CB 4.33Å; W120-A147 HydrophobicContact CZ3-CB 3.85Å; W133-A147 HydrophobicContact CH2-CB 3.99Å; W133-A147 HydrophobicContact CZ3-CB 4.02Å; A147-K159 WeakPolarHBondContact CA-O 3.46Å
148	G	98.5	Very high	94.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	157.7	169.2	0	0	0	0	0	112.5	V102 W158 K159	V102-G148 CarbonylContact O-C 3.57Å; V102-G148 WeakPolarHBondContact O-CA 3.49Å; G148-W158 CarbonylContact O-C 3.56Å; G148-W158 WeakPolarHBondContact O-CA 3.4Å; G148-K159 PolarHBondContact N-O 2.87Å; G148-K159 PolarHBondContact O-N 2.96Å
149	L	98.8	Very high	95	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.021	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	132.3	168.5	-56.8	176.9	0	0	0	109.6	V88 V92 Y101 V102 I104 F155	V88-L149 HydrophobicContact CG1-CD1 3.7Å; V92-L149 HydrophobicContact CG2-CD1 4.11Å; Y101-L149 VanDerWaalsContact CA-O 3.25Å; Y101-L149 WeakPolarHBondContact CA-O 3.37Å; V102-L149 HydrophobicContact CB-CB 4.45Å; V102-L149 PolarHBondContact N-O 3.16Å; V102-L149 PolarHBondContact O-N 3.47Å; I104-L149 HydrophobicContact CD1-CD2 4.33Å; I104-L149 HydrophobicContact CG2-CD1 4.13Å; I104-L149 HydrophobicContact CG2-CD2 3.81Å; I104-L149 HydrophobicContact CG2-CG 3.61Å; L149-F155 HydrophobicContact CB-CB 3.94Å; L149-F155 HydrophobicContact CB-CD1 3.89Å; L149-F155 HydrophobicContact CB-CG 4.43Å; L149-F155 HydrophobicContact CD1-CB 4.31Å
150	S	98.2	Very high	95.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	121.2	-176.5	174.9	0	0	0	0	112.2	E134 N152 T153 F155 R157	E134-S150 WeakPolarHBondContact OE2-CB 3.31Å; E134-S150 PolarHBondContact OE2-OG 3.12Å; S150-N152 PolarHBondContact O-N 3.15Å; S150-T153 PolarHBondContact O-N 3.44Å; S150-T153 PolarHBondContact O-OG1 2.9Å; S150-F155 VanDerWaalsContact O-CA 3.31Å; S150-F155 WeakPolarHBondContact O-CA 3.49Å; S150-F155 PolarHBondContact O-N 2.93Å; S150-R157 PolarHBondContact N-O 3.4Å
151	R	97.9	Very high	95.9	Very high	85 Å²	85	48.8 Å²	48.8	32%	0.321	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-56.3	-34	175.4	-178.4	-180	64.4	-136.4	-7.6	112.7	S96 Y99 S100 T153 A154 F155	S96-R151 WeakPolarHBondContact O-CD 3.26Å; S96-R151 PolarHBondContact O-NH1 2.95Å; Y99-R151 PolarHBondContact O-NH1 3.01Å; S100-R151 VanDerWaalsContact CA-NH1 3.26Å; S100-R151 VanDerWaalsContact N-NH1 3.2Å; S100-R151 WeakPolarHBondContact O-CB 2.9Å; S100-R151 PolarHBondContact O-N 2.92Å; S100-R151 VanDerWaalsContact OG-CZ 3.29Å; S100-R151 PolarHBondContact OG-NH1 3.02Å; S100-R151 VanDerWaalsContact OG-NH1 3.17Å; S100-R151 PolarHBondContact OG-NH2 3.19Å; R151-T153 PolarHBondContact O-N 3.16Å; R151-A154 PolarHBondContact O-N 2.96Å; R151-F155 HydrophobicContact CB-CD1 4.41Å; R151-F155 HydrophobicContact CB-CE1 3.69Å; R151-F155 HydrophobicContact CB-CE2 4.22Å; R151-F155 HydrophobicContact CB-CZ 3.59Å; R151-F155 HydrophobicContact CG-CE1 4.42Å; R151-F155 HydrophobicContact CG-CE2 4.1Å; R151-F155 HydrophobicContact CG-CZ 3.82Å
152	N	97.2	Very high	96.6	Very high	117 Å²	117	46.6 Å²	46.6	63%	0.626	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-59.9	-19.9	-179.8	-65.7	-15.6	0	0	0	112.6	S150	S150-N152 PolarHBondContact O-N 3.15Å
153	T	97.9	Very high	97.2	Very high	31 Å²	31	40.8 Å²	40.8	19%	0.19	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-110.6	22	178.9	69.8	0	0	0	0	112	E134 S150 R151 F155 L156 R157	E134-T153 HydrophobicContact CG-CG2 3.98Å; S150-T153 PolarHBondContact O-N 3.44Å; S150-T153 PolarHBondContact O-OG1 2.9Å; R151-T153 PolarHBondContact O-N 3.16Å; T153-F155 PolarHBondContact O-N 3.36Å; T153-L156 WeakPolarHBondContact O-CB 3.06Å; T153-L156 PolarHBondContact O-N 2.99Å; T153-L156 VanDerWaalsContact O-N 3.07Å; T153-R157 HydrophobicContact CG2-CB 3.84Å; T153-R157 HydrophobicContact CG2-CG 3.99Å; T153-R157 WeakPolarHBondContact OG1-CB 3.41Å; T153-R157 PolarHBondContact OG1-N 3.09Å
154	A	98	Very high	97.7	Very high	60 Å²	60	44.7 Å²	44.7	50%	0.496	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	35	-170.3	0	0	0	0	0	112.9	S89 R151 L156	S89-A154 PolarHBondContact OG-O 2.92Å; R151-A154 PolarHBondContact O-N 2.96Å; A154-L156 PolarHBondContact O-N 3.29Å
155	F	98.6	Very high	97.9	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.018	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	22.2	-177.2	-52.7	-77.1	0	0	0	114.7	V92 V102 L149 S150 R151 T153	V92-F155 HydrophobicContact CG2-CB 3.57Å; V92-F155 HydrophobicContact CG2-CD1 4.06Å; V92-F155 HydrophobicContact CG2-CD2 3.8Å; V92-F155 HydrophobicContact CG2-CE2 4.46Å; V92-F155 HydrophobicContact CG2-CG 3.55Å; V102-F155 HydrophobicContact CG2-CD1 4.19Å; V102-F155 HydrophobicContact CG2-CE1 3.91Å; L149-F155 HydrophobicContact CB-CB 3.94Å; L149-F155 HydrophobicContact CB-CD1 3.89Å; L149-F155 HydrophobicContact CB-CG 4.43Å; L149-F155 HydrophobicContact CD1-CB 4.31Å; S150-F155 VanDerWaalsContact O-CA 3.31Å; S150-F155 WeakPolarHBondContact O-CA 3.49Å; S150-F155 PolarHBondContact O-N 2.93Å; R151-F155 HydrophobicContact CB-CD1 4.41Å; R151-F155 HydrophobicContact CB-CE1 3.69Å; R151-F155 HydrophobicContact CB-CE2 4.22Å; R151-F155 HydrophobicContact CB-CZ 3.59Å; R151-F155 HydrophobicContact CG-CE1 4.42Å; R151-F155 HydrophobicContact CG-CE2 4.1Å; R151-F155 HydrophobicContact CG-CZ 3.82Å; T153-F155 PolarHBondContact O-N 3.36Å
156	L	98.4	Very high	98	Very high	82 Å²	82	51.1 Å²	51.1	43%	0.429	25%	0.252	S	S	.	.			trans	-90.5	-20.4	177	-68.3	167	0	0	0	113.2	T153 A154	T153-L156 WeakPolarHBondContact O-CB 3.06Å; T153-L156 PolarHBondContact O-N 2.99Å; T153-L156 VanDerWaalsContact O-N 3.07Å; A154-L156 PolarHBondContact O-N 3.29Å
157	R	98.6	Very high	98	Very high	115 Å²	115	51.5 Å²	51.5	43%	0.434	25%	0.254	S	S	.	.	S	Bend	trans	-117.7	157.4	179.9	-55	-168.1	80	92.5	-3.1	112.4	A132 W133 E134 S150 T153	A132-R157 CarbonylContact O-C 3.56Å; A132-R157 WeakPolarHBondContact O-CA 3.29Å; A132-R157 WeakPolarHBondContact O-CB 3.28Å; W133-R157 PolarHBondContact O-NE 2.82Å; W133-R157 PolarHBondContact O-NH2 3.25Å; E134-R157 HydrophobicContact CB-CB 4.1Å; S150-R157 PolarHBondContact N-O 3.4Å; T153-R157 HydrophobicContact CG2-CB 3.84Å; T153-R157 HydrophobicContact CG2-CG 3.99Å; T153-R157 WeakPolarHBondContact OG1-CB 3.41Å; T153-R157 PolarHBondContact OG1-N 3.09Å
158	W	98.1	Very high	98.1	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.008	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	146.5	-177	-44	-28.5	0	0	0	110.7	V79 I104 L106 W122 M128 Y130 A132 W133 E134 G148	V79-W158 HydrophobicContact CB-CZ2 3.85Å; V79-W158 HydrophobicContact CG1-CZ2 4.02Å; I104-W158 HydrophobicContact CD1-CB 4.34Å; I104-W158 HydrophobicContact CD1-CD2 4.21Å; I104-W158 HydrophobicContact CD1-CG 3.81Å; L106-W158 HydrophobicContact CD2-CD2 4.39Å; L106-W158 HydrophobicContact CD2-CE3 3.66Å; L106-W158 HydrophobicContact CD2-CZ3 3.98Å; W122-W158 HydrophobicContact CH2-CH2 4.07Å; W122-W158 HydrophobicContact CH2-CZ2 4.03Å; W122-W158 AromaticContact CZ2-CH2 3.72Å; W122-W158 HydrophobicContact CZ2-CH2 3.72Å; W122-W158 HydrophobicContact CZ2-CZ2 4.05Å; W122-W158 HydrophobicContact CZ2-CZ3 4.27Å; M128-W158 HydrophobicContact CE-CZ3 4.33Å; Y130-W158 AromaticContact CD1-CH2 3.72Å; Y130-W158 HydrophobicContact CD1-CH2 3.72Å; Y130-W158 AromaticContact CD1-CZ2 3.63Å; Y130-W158 HydrophobicContact CD1-CZ2 3.63Å; Y130-W158 HydrophobicContact CE1-CH2 4.15Å; Y130-W158 AromaticContact CE1-CZ2 3.67Å; Y130-W158 HydrophobicContact CE1-CZ2 3.67Å; Y130-W158 WeakPolarHBondContact O-CH2 3.46Å; A132-W158 HydrophobicContact CB-CD2 3.99Å; A132-W158 HydrophobicContact CB-CE3 4.47Å; A132-W158 HydrophobicContact CB-CG 4.44Å; A132-W158 HydrophobicContact CB-CH2 4.38Å; A132-W158 HydrophobicContact CB-CZ2 3.85Å; A132-W158 VanDerWaalsContact N-CZ3 3.34Å; A132-W158 PolarHBondContact O-N 2.98Å; W133-W158 CarbonylContact C-O 3.58Å; W133-W158 HydrophobicContact CD2-CE3 4.22Å; W133-W158 HydrophobicContact CE3-CB 3.95Å; W133-W158 HydrophobicContact CG-CE3 4.49Å; W133-W158 HydrophobicContact CZ3-CB 4.19Å; E134-W158 WeakPolarHBondContact CB-O 3.08Å; E134-W158 PolarHBondContact N-O 2.87Å; G148-W158 CarbonylContact O-C 3.56Å; G148-W158 WeakPolarHBondContact O-CA 3.4Å
159	K	97.2	Very high	98.1	Very high	60 Å²	60	52 Å²	52	26%	0.261	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	138.4	172.8	-167.8	-177.8	173.9	178.4	0	109	Y101 A147 G148	Y101-K159 HydrophobicContact CE1-CB 4.32Å; Y101-K159 HydrophobicContact CE1-CD 3.87Å; Y101-K159 PolarHBondContact OH-NZ 3.28Å; A147-K159 WeakPolarHBondContact CA-O 3.46Å; G148-K159 PolarHBondContact N-O 2.87Å; G148-K159 PolarHBondContact O-N 2.96Å
160	D	96.3	Very high	98.1	Very high	13 Å²	13	51.8 Å²	51.8	7%	0.07	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	147	169.3	67.3	-59.9	0	0	0	110.5	W120 I140 P143 G144 C146	W120-D160 HydrophobicContact CH2-CB 3.84Å; W120-D160 HydrophobicContact CZ2-CB 3.86Å; I140-D160 WeakPolarHBondContact CD1-OD1 3.42Å; P143-D160 VanDerWaalsContact CA-OD2 3.26Å; P143-D160 WeakPolarHBondContact CA-OD2 3.31Å; G144-D160 PolarHBondContact N-OD2 2.86Å; C146-D160 CarbonylContact O-C 3.59Å; C146-D160 WeakPolarHBondContact O-CA 3.24Å
161	Y	96.7	Very high	98.1	Very high	75 Å²	75	51.8 Å²	51.8	29%	0.294	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	161.1	-175.9	-150.1	-118.5	0	0	0	111.5	Y101 W103 G144 H145 C146 C163 V165 L167	Y101-Y161 HydrophobicContact CD2-CD2 4.43Å; Y101-Y161 HydrophobicContact CD2-CE1 4.26Å; Y101-Y161 HydrophobicContact CD2-CE2 4.03Å; Y101-Y161 AromaticContact CD2-CZ 3.94Å; Y101-Y161 HydrophobicContact CE2-CD2 4.22Å; Y101-Y161 AromaticContact CE2-CE2 3.67Å; Y101-Y161 HydrophobicContact CE2-CE2 3.67Å; Y101-Y161 AromaticContact CE2-CZ 3.93Å; W103-Y161 AromaticContact CH2-CD1 3.73Å; W103-Y161 HydrophobicContact CH2-CD1 3.73Å; W103-Y161 HydrophobicContact CH2-CG 4.27Å; W103-Y161 HydrophobicContact CZ2-CD1 4.37Å; W103-Y161 HydrophobicContact CZ3-CD1 4.35Å; G144-Y161 VanDerWaalsContact CA-O 3.3Å; G144-Y161 WeakPolarHBondContact CA-O 3.4Å; H145-Y161 PolarHBondContact N-O 2.92Å; C146-Y161 PolarHBondContact N-O 3.3Å; C146-Y161 PolarHBondContact O-N 2.61Å; C146-Y161 VanDerWaalsContact O-O 3.13Å; Y161-C163 PolarHBondContact O-N 3.39Å; Y161-V165 HydrophobicContact CD1-CB 4.07Å; Y161-V165 HydrophobicContact CD1-CG1 4.44Å; Y161-V165 HydrophobicContact CD1-CG2 4.2Å; Y161-V165 HydrophobicContact CE1-CB 3.71Å; Y161-V165 HydrophobicContact CE1-CG1 3.69Å; Y161-V165 HydrophobicContact CE1-CG2 3.71Å; Y161-L167 HydrophobicContact CD1-CD1 4.03Å; Y161-L167 HydrophobicContact CE1-CD1 4.25Å
162	N	97.2	Very high	98.2	Very high	85 Å²	85	48.3 Å²	48.3	46%	0.455	24%	0.242	S	C	.	.			trans	-68	118.1	178.2	178	-19.6	0	0	0	109.9	W103 D164 V165	W103-N162 VanDerWaalsContact CH2-O 3.31Å; W103-N162 WeakPolarHBondContact CH2-O 3.36Å; W103-N162 WeakPolarHBondContact CZ2-O 3.48Å; N162-D164 PolarHBondContact O-N 3.21Å; N162-D164 VanDerWaalsContact O-N 3.17Å; N162-D164 WeakPolarHBondContact OD1-CB 3.36Å; N162-D164 PolarHBondContact OD1-N 3.39Å; N162-V165 HydrophobicContact CB-CG2 3.93Å; N162-V165 WeakPolarHBondContact O-CB 3.29Å; N162-V165 WeakPolarHBondContact O-CG2 3.31Å; N162-V165 PolarHBondContact O-N 2.03Å
163	C	98.5	Very high	98.2	Very high	25 Å²	25	42.8 Å²	42.8	17%	0.169	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-28.4	-176.7	-61.1	0	0	0	0	114.4	S60 W61 H145 C146 Y161 V165	S60-C163 WeakPolarHBondContact CB-O 3.48Å; W61-C163 HydrophobicContact CB-CB 4.31Å; W61-C163 PolarHBondContact N-O 3.38Å; H145-C163 VanDerWaalsContact C-SG 3.55Å; C146-C163 HydrophobicContact CB-CB 3.96Å; C146-C163 WeakPolarHBondContact CB-SG 3.39Å; C146-C163 PolarHBondContact N-SG 2.86Å; C146-C163 VanDerWaalsContact N-SG 3.39Å; C146-C163 WeakPolarHBondContact SG-CB 3.5Å; C146-C163 CovalentContact SG-SG 2.03Å; C146-C163 PolarHBondContact SG-SG 3.25Å; Y161-C163 PolarHBondContact O-N 3.39Å; C163-V165 VanDerWaalsContact C-N 3.27Å; C163-V165 PolarHBondContact O-N 3.33Å
164	D	98.3	Very high	98	Very high	126 Å²	126	43.3 Å²	43.3	67%	0.674	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-13.7	-178.1	-63.7	-39.6	0	0	0	112.7	N162 R166	N162-D164 PolarHBondContact O-N 3.21Å; N162-D164 VanDerWaalsContact O-N 3.17Å; N162-D164 WeakPolarHBondContact OD1-CB 3.36Å; N162-D164 PolarHBondContact OD1-N 3.39Å; D164-R166 PolarHBondContact O-N 3.34Å
165	V	98.4	Very high	97.1	Very high	48 Å²	48	46.8 Å²	46.8	29%	0.291	23%	0.226	S	C	.	.	S	Bend	trans	-67.6	132.4	179.2	-178.5	0	0	0	0	110	W103 Y161 N162 C163 L167	W103-V165 HydrophobicContact CZ2-CB 4.37Å; W103-V165 VanDerWaalsContact CZ2-O 3.24Å; W103-V165 WeakPolarHBondContact CZ2-O 3.4Å; W103-V165 PolarHBondContact NE1-O 3.4Å; W103-V165 VanDerWaalsContact NE1-O 3.16Å; Y161-V165 HydrophobicContact CD1-CB 4.07Å; Y161-V165 HydrophobicContact CD1-CG1 4.44Å; Y161-V165 HydrophobicContact CD1-CG2 4.2Å; Y161-V165 HydrophobicContact CE1-CB 3.71Å; Y161-V165 HydrophobicContact CE1-CG1 3.69Å; Y161-V165 HydrophobicContact CE1-CG2 3.71Å; N162-V165 HydrophobicContact CB-CG2 3.93Å; N162-V165 WeakPolarHBondContact O-CB 3.29Å; N162-V165 WeakPolarHBondContact O-CG2 3.31Å; N162-V165 PolarHBondContact O-N 2.03Å; C163-V165 VanDerWaalsContact C-N 3.27Å; C163-V165 PolarHBondContact O-N 3.33Å; V165-L167 HydrophobicContact CG1-CD2 4.03Å; V165-L167 HydrophobicContact CG1-CG 4.08Å; V165-L167 PolarHBondContact O-N 3.24Å
166	R	98.7	Very high	97	Very high	137 Å²	137	49 Å²	49	52%	0.517	24%	0.237	S	C	.	.			trans	-83.5	109.9	-179.3	-57.4	-175.9	69.6	87.4	2.8	110.3	P58 K59 D63 D164	P58-R166 HydrophobicContact CB-CB 3.93Å; P58-R166 WeakPolarHBondContact CB-O 3.39Å; P58-R166 PolarHBondContact O-NE 3.12Å; P58-R166 PolarHBondContact O-NH2 3.05Å; K59-R166 CarbonylContact O-C 3.45Å; K59-R166 VanDerWaalsContact O-CA 3.29Å; K59-R166 WeakPolarHBondContact O-CA 3.46Å; D63-R166 IonicContact OD2-NH1 3.81Å; D164-R166 PolarHBondContact O-N 3.34Å
167	L	98.8	Very high	96.9	Very high	13 Å²	13	47.2 Å²	47.2	7%	0.068	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	156.3	-179.3	-61.2	177	0	0	0	111.8	P58 K59 W103 Y161 V165	P58-L167 VanDerWaalsContact CA-O 3.28Å; P58-L167 WeakPolarHBondContact CA-O 3.3Å; K59-L167 PolarHBondContact N-O 3.36Å; K59-L167 PolarHBondContact O-N 2.74Å; W103-L167 HydrophobicContact CD2-CB 4.2Å; W103-L167 HydrophobicContact CD2-CD1 3.77Å; W103-L167 HydrophobicContact CD2-CG 4.4Å; W103-L167 HydrophobicContact CE3-CD1 4Å; W103-L167 HydrophobicContact CG-CB 4.07Å; W103-L167 HydrophobicContact CG-CD1 4.44Å; W103-L167 HydrophobicContact CH2-CD1 3.95Å; W103-L167 HydrophobicContact CZ2-CD1 3.69Å; W103-L167 HydrophobicContact CZ2-CG 4.15Å; W103-L167 HydrophobicContact CZ3-CD1 4.08Å; Y161-L167 HydrophobicContact CD1-CD1 4.03Å; Y161-L167 HydrophobicContact CE1-CD1 4.25Å; V165-L167 HydrophobicContact CG1-CD2 4.03Å; V165-L167 HydrophobicContact CG1-CG 4.08Å; V165-L167 PolarHBondContact O-N 3.24Å
168	P	98.8	Very high	96.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	158.2	161.3	30	-37.2	0	0	0	109.9	L54 F55 I95 Y99 V102 W103	L54-P168 HydrophobicContact CD1-CB 4.38Å; F55-P168 VanDerWaalsContact O-CA 3.29Å; F55-P168 WeakPolarHBondContact O-CA 3.3Å; F55-P168 VanDerWaalsContact O-CB 3.31Å; F55-P168 WeakPolarHBondContact O-CB 3.35Å; I95-P168 HydrophobicContact CD1-CB 4.05Å; I95-P168 HydrophobicContact CD1-CG 3.72Å; Y99-P168 HydrophobicContact CD1-CG 3.82Å; Y99-P168 HydrophobicContact CD2-CG 3.91Å; Y99-P168 HydrophobicContact CE1-CG 4.28Å; Y99-P168 HydrophobicContact CE2-CG 4.37Å; Y99-P168 HydrophobicContact CG-CG 3.61Å; V102-P168 CarbonylContact C-O 3.56Å; V102-P168 WeakPolarHBondContact CA-O 3.39Å; V102-P168 WeakPolarHBondContact CG1-O 3.44Å; V102-P168 HydrophobicContact CG2-CG 4.18Å; W103-P168 PolarHBondContact N-O 3.07Å
169	Y	98.9	Very high	96.8	Very high	9 Å²	9	45.9 Å²	45.9	4%	0.035	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	155.6	-170.8	59.8	-84.9	0	0	0	112.2	F55 S57 K59 A64 A67 L76	F55-Y169 HydrophobicContact CB-CD1 4.02Å; F55-Y169 HydrophobicContact CB-CD2 4.05Å; F55-Y169 HydrophobicContact CB-CE1 3.57Å; F55-Y169 HydrophobicContact CB-CE2 3.63Å; F55-Y169 HydrophobicContact CB-CG 4.22Å; F55-Y169 AromaticContact CD2-CD2 3.99Å; F55-Y169 HydrophobicContact CD2-CD2 3.99Å; F55-Y169 AromaticContact CD2-CE2 3.55Å; F55-Y169 HydrophobicContact CD2-CE2 3.55Å; F55-Y169 HydrophobicContact CE2-CE2 4.37Å; F55-Y169 HydrophobicContact CG-CD2 4.33Å; F55-Y169 HydrophobicContact CG-CE1 4.41Å; F55-Y169 AromaticContact CG-CE2 3.67Å; F55-Y169 HydrophobicContact CG-CE2 3.67Å; F55-Y169 AromaticContact CG-CZ 3.69Å; F55-Y169 PolarHBondContact N-O 2.96Å; F55-Y169 PolarHBondContact O-N 3.44Å; F55-Y169 VanDerWaalsContact O-N 3.12Å; S57-Y169 WeakPolarHBondContact O-CE1 3.49Å; K59-Y169 HydrophobicContact CB-CD1 4.39Å; K59-Y169 HydrophobicContact CB-CE1 4.14Å; K59-Y169 HydrophobicContact CD-CE1 3.67Å; K59-Y169 WeakPolarHBondContact CE-OH 3.48Å; K59-Y169 HydrophobicContact CG-CE1 3.97Å; A64-Y169 HydrophobicContact CB-CD1 3.8Å; A64-Y169 HydrophobicContact CB-CD2 3.86Å; A64-Y169 HydrophobicContact CB-CE1 4.27Å; A64-Y169 HydrophobicContact CB-CE2 4.3Å; A64-Y169 HydrophobicContact CB-CG 3.6Å; A67-Y169 HydrophobicContact CB-CE2 4.2Å; L76-Y169 HydrophobicContact CD2-CD2 3.96Å; L76-Y169 HydrophobicContact CD2-CG 4.19Å
170	V	98.9	Very high	96.7	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	125.9	176.3	-179.7	0	0	0	0	109.3	A53 L54 L76 V77 V88 V92 V102 W103	A53-V170 WeakPolarHBondContact O-CA 3.49Å; L54-V170 HydrophobicContact CB-CG2 4.49Å; L54-V170 HydrophobicContact CD1-CG2 4.06Å; L76-V170 WeakPolarHBondContact CA-O 3.49Å; V77-V170 HydrophobicContact CB-CB 4.25Å; V77-V170 HydrophobicContact CB-CG1 3.95Å; V77-V170 HydrophobicContact CG1-CB 3.66Å; V77-V170 HydrophobicContact CG1-CG1 3.82Å; V77-V170 HydrophobicContact CG2-CG1 4.49Å; V77-V170 PolarHBondContact N-O 3.17Å; V88-V170 HydrophobicContact CG1-CG1 4.44Å; V88-V170 HydrophobicContact CG1-CG2 4.41Å; V92-V170 HydrophobicContact CG1-CG2 3.58Å; V102-V170 HydrophobicContact CG1-CG2 4.02Å; W103-V170 PolarHBondContact O-N 3.41Å
171	C	98.9	Very high	96.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	145.7	169	-56.5	0	0	0	0	110.7	Y52 A53 F55 C68 N75 F173	Y52-C171 VanDerWaalsContact CA-O 3.25Å; Y52-C171 WeakPolarHBondContact CA-O 3.49Å; A53-C171 PolarHBondContact N-O 3.46Å; A53-C171 PolarHBondContact O-N 3.38Å; F55-C171 HydrophobicContact CE2-CB 3.99Å; F55-C171 WeakPolarHBondContact CE2-SG 3.47Å; C68-C171 WeakPolarHBondContact CA-SG 3.48Å; C68-C171 HydrophobicContact CB-CB 3.66Å; C68-C171 WeakPolarHBondContact CB-SG 3.47Å; C68-C171 WeakPolarHBondContact SG-CA 3.3Å; C68-C171 WeakPolarHBondContact SG-CB 3.33Å; C68-C171 CovalentContact SG-SG 2.03Å; C68-C171 PolarHBondContact SG-SG 3.49Å; N75-C171 CarbonylContact O-C 3.59Å; N75-C171 VanDerWaalsContact O-CA 3.28Å; N75-C171 WeakPolarHBondContact O-CA 3Å; C171-F173 HydrophobicContact CB-CD1 4.28Å
172	K	98.8	Very high	96.8	Very high	12 Å²	12	45.1 Å²	45.1	5%	0.052	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	133.2	166.1	177	179.6	174.3	175.3	0	108.1	H50 C51 Y52 G74 N75 V77 S78 E84	H50-K172 HydrophobicContact CB-CG 4Å; C51-K172 WeakPolarHBondContact O-CA 3.43Å; Y52-K172 HydrophobicContact CD1-CB 4.1Å; Y52-K172 HydrophobicContact CD1-CG 4.25Å; Y52-K172 HydrophobicContact CE1-CB 4.02Å; Y52-K172 HydrophobicContact CE1-CD 3.76Å; Y52-K172 HydrophobicContact CE1-CG 3.75Å; G74-K172 WeakPolarHBondContact CA-O 3.42Å; N75-K172 PolarHBondContact N-O 3.24Å; N75-K172 PolarHBondContact O-N 3.11Å; V77-K172 HydrophobicContact CB-CB 4.05Å; V77-K172 HydrophobicContact CG2-CB 3.98Å; V77-K172 HydrophobicContact CG2-CD 4.25Å; S78-K172 PolarHBondContact OG-NZ 2.95Å; E84-K172 WeakPolarHBondContact OE1-CE 3.07Å; E84-K172 IonicContact OE1-NZ 2.74Å; E84-K172 PolarHBondContact OE1-NZ 3.25Å
173	F	98.3	Very high	96.7	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.009	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	164.7	-174.3	58.7	-84.5	0	0	0	111.1	P41 C51 A53 R71 P72 C171	P41-F173 HydrophobicContact CG-CE2 4.11Å; C51-F173 HydrophobicContact CB-CD1 4.4Å; C51-F173 HydrophobicContact CB-CD2 3.9Å; C51-F173 HydrophobicContact CB-CE1 4.01Å; C51-F173 HydrophobicContact CB-CE2 3.46Å; C51-F173 VanDerWaalsContact CB-CE2 3.46Å; C51-F173 HydrophobicContact CB-CG 4.34Å; C51-F173 HydrophobicContact CB-CZ 3.52Å; C51-F173 PolarHBondContact N-O 3.29Å; C51-F173 WeakPolarHBondContact O-CD1 3.43Å; C51-F173 PolarHBondContact O-N 3.49Å; A53-F173 HydrophobicContact CB-CE1 3.99Å; R71-F173 HydrophobicContact CB-CB 3.63Å; R71-F173 HydrophobicContact CB-CD1 4.26Å; R71-F173 HydrophobicContact CB-CD2 3.96Å; R71-F173 HydrophobicContact CB-CG 3.71Å; R71-F173 HydrophobicContact CG-CB 4.42Å; R71-F173 HydrophobicContact CG-CD1 4.13Å; R71-F173 HydrophobicContact CG-CD2 4.29Å; R71-F173 HydrophobicContact CG-CE1 4.49Å; R71-F173 HydrophobicContact CG-CG 4.04Å; P72-F173 WeakPolarHBondContact O-CB 3.34Å; C171-F173 HydrophobicContact CB-CD1 4.28Å
174	T	94.4	Very high	96.6	Very high	42 Å²	42	43.5 Å²	43.5	26%	0.258	22%	0.218	S	C	.	.			trans	-94.3	154.2	171	58.7	0	0	0	0	110.3	P72 S73	P72-T174 WeakPolarHBondContact CB-O 3.31Å; P72-T174 PolarHBondContact O-N 3.27Å; P72-T174 PolarHBondContact O-OG1 3.33Å; S73-T174 WeakPolarHBondContact CB-OG1 3.5Å; S73-T174 PolarHBondContact OG-OG1 3Å
175	D	77.9	Confident	96.4	Very high	133 Å²	133	36 Å²	36	71%	0.711	18%	0.176	S	C	*	.			trans	-77.2	0	169.4	-165.9	48.4	0	0	0	110.8	R39	R39-D175 VanDerWaalsContact O-OD2 3.09Å

Retrieved 175 of 175 residues in 195.5 ms (Link to these results)

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