A0A077Z3A5_TRITR Loading...

I-set domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z3A5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 161 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	46.9	Very low	49	Very low	253 Å²	253	143.7 Å²	143.7	100%	1.246	77%	0.767	S	S	*	*				0	108.5	0	-76.4	160.3	82.1	0	0	106.8
2	G	45.8	Very low	49.2	Very low	74 Å²	74	143.8 Å²	143.8	76%	0.763	77%	0.766	S	S	*	*			trans	-101.9	144.1	-165	0	0	0	0	0	112.6
3	I	62.9	Low	49.6	Very low	176 Å²	176	143.9 Å²	143.9	90%	0.903	77%	0.766	S	S	*	*			trans	-103.8	112.5	158.7	-58.5	170.8	0	0	0	105.4
4	P	49.6	Very low	49.2	Very low	100 Å²	100	145 Å²	145	65%	0.649	77%	0.771	S	S	*	*			trans	-95.2	143.7	-179.5	34.6	-29.1	0	0	0	112
5	K	49.7	Very low	49.6	Very low	176 Å²	176	146.3 Å²	146.3	77%	0.765	77%	0.771	S	S	*	*				79.9	113.2	129.2	-74.1	-179.7	-178	-176.9	0	116.6
6	L	49.2	Very low	49.5	Very low	135 Å²	135	144.3 Å²	144.3	71%	0.707	77%	0.768	S	S	*	*				73.3	127.8	98.9	-95	58	0	0	0	109.5
7	H	50.2	Low	50	Low	142 Å²	142	143.3 Å²	143.3	66%	0.657	76%	0.762	S	S	*	*				-177.2	129.2	56.3	-124.5	14.5	0	0	0	103.8
8	L	45.5	Very low	50.5	Low	115 Å²	115	146.6 Å²	146.6	60%	0.602	77%	0.769	S	S	*	*				96.3	124.6	78.2	-170.4	83	0	0	0	110
9	L	51.2	Low	50.3	Low	135 Å²	135	147.8 Å²	147.8	71%	0.707	78%	0.775	S	S	*	*			trans	69.2	144.1	150.1	-96.1	71.1	0	0	0	115.8
10	L	46.3	Very low	50.2	Low	126 Å²	126	144.8 Å²	144.8	66%	0.66	77%	0.773	S	S	*	*			cis	-170.9	151	-1.2	-170.9	55.2	0	0	0	104.2
11	L	41.4	Very low	50.2	Low	149 Å²	149	143.9 Å²	143.9	78%	0.78	77%	0.772	S	S	*	*			trans	-34.2	159.6	154.1	-69.7	137.3	0	0	0	113.4
12	L	51.6	Low	50.4	Low	144 Å²	144	137 Å²	137	75%	0.754	75%	0.75	S	S	*	*			trans	123.5	124.5	162.6	-66.7	168	0	0	0	110.2
13	L	55.2	Low	50.6	Low	146 Å²	146	138.5 Å²	138.5	76%	0.764	75%	0.748	S	S	*	*			cis	-162.6	138.5	10.5	-87.3	150.1	0	0	0	108.4
14	L	43.3	Very low	49.7	Very low	159 Å²	159	138.7 Å²	138.7	83%	0.832	74%	0.743	S	S	*	*			trans	-62.5	128.1	156.5	-76.6	148.4	0	0	0	109.8
15	Q	54.7	Low	49.4	Very low	165 Å²	165	139.7 Å²	139.7	77%	0.771	74%	0.743	S	S	*	*			trans	-160.7	125.1	149.9	-69.9	-62.5	-75.8	0	0	109.3
16	P	47.8	Very low	49	Very low	113 Å²	113	138.7 Å²	138.7	73%	0.734	74%	0.741	S	S	*	*			trans	-120	117.1	153.2	33.2	-20.2	0	0	0	109.1
17	I	59.3	Low	48.5	Very low	128 Å²	128	138.2 Å²	138.2	66%	0.656	74%	0.744	S	S	*	*			trans	-161.7	125	157.3	-77.2	115.8	0	0	0	106.4
18	F	58.3	Low	48.2	Very low	203 Å²	203	137.8 Å²	137.8	89%	0.89	75%	0.751	S	S	*	*				-172.9	120.1	115.1	-100.9	-72.3	0	0	0	110.6
19	L	45.9	Very low	48.1	Very low	169 Å²	169	141.5 Å²	141.5	89%	0.885	76%	0.762	S	S	*	*			trans	-81.3	141.1	167	-73.5	155.2	0	0	0	109.5
20	A	49.8	Very low	47.8	Very low	88 Å²	88	140.9 Å²	140.9	73%	0.727	76%	0.764	S	S	*	*			trans	-169.6	97.4	152.7	0	0	0	0	0	108
21	T	50.5	Low	48	Very low	125 Å²	125	141.3 Å²	141.3	77%	0.767	78%	0.775	S	S	*	*				68.6	114.4	89.4	62	0	0	0	0	116.2
22	S	50.8	Low	48.2	Very low	110 Å²	110	141.6 Å²	141.6	77%	0.769	78%	0.777	S	S	*	*			trans	75.5	145.1	138.8	98.5	0	0	0	0	114.9
23	S	49.7	Very low	47.9	Very low	104 Å²	104	143.2 Å²	143.2	73%	0.727	78%	0.78	S	S	*	*			cis	-162.8	158.2	6.8	-59.8	0	0	0	0	105.4
24	F	44.1	Very low	47.2	Very low	180 Å²	180	147.1 Å²	147.1	79%	0.789	79%	0.785	S	S	*	*				161.7	130.1	113.4	-159	-109	0	0	0	110.1
25	D	42.2	Very low	47.3	Very low	122 Å²	122	146.1 Å²	146.1	65%	0.652	79%	0.785	S	S	*	*			trans	-111.6	142.1	-170.9	-176	1.2	0	0	0	107.3
26	Q	42.3	Very low	46.6	Very low	155 Å²	155	149.8 Å²	149.8	72%	0.724	79%	0.792	S	S	*	*			trans	-165.6	99.4	148.8	-116.8	165	16.8	0	0	113.3
27	T	38.1	Very low	46.6	Very low	125 Å²	125	147.7 Å²	147.7	77%	0.767	79%	0.791	S	S	*	*			trans	-59.1	135	145.3	46.3	0	0	0	0	111.2
28	T	45.2	Very low	46.1	Very low	132 Å²	132	147 Å²	147	81%	0.81	80%	0.795	S	S	*	*			trans	-135.8	128.5	158.7	48.9	0	0	0	0	112.4
29	K	42	Very low	45.6	Very low	193 Å²	193	143 Å²	143	84%	0.839	79%	0.787	S	S	*	*			trans	-87.7	146.5	173.5	-96.4	175.9	170.7	174.4	0	110.1
30	T	45.4	Very low	45.7	Very low	123 Å²	123	143.3 Å²	143.3	76%	0.755	78%	0.781	S	S	*	*			trans	47.4	136.5	144	59.3	0	0	0	0	121.3
31	P	50.2	Low	45.5	Very low	135 Å²	135	146.3 Å²	146.3	88%	0.877	79%	0.785	S	S	*	*			trans	-87.7	139.2	174.5	35	-29.9	0	0	0	112.7
32	D	45.7	Very low	45.4	Very low	154 Å²	154	146.9 Å²	146.9	82%	0.824	79%	0.788	S	S	*	*			trans	-106.4	160.8	177.3	-164.6	4.6	0	0	0	111.4
33	H	45.4	Very low	45.1	Very low	178 Å²	178	149.3 Å²	149.3	82%	0.824	79%	0.792	S	S	*	*			trans	-56.6	156.9	174.2	-94	-83.1	0	0	0	114.8
34	R	40.6	Very low	44.8	Very low	228 Å²	228	148.9 Å²	148.9	86%	0.86	79%	0.786	S	S	*	*				122.7	109.2	125.2	-155	166.3	-172.5	162.3	1.1	117.9
35	V	45.5	Very low	44.8	Very low	139 Å²	139	149.3 Å²	149.3	84%	0.842	79%	0.788	S	S	*	*			trans	41.4	129.5	131.3	-169.7	0	0	0	0	121.2
36	R	40.8	Very low	44.8	Very low	241 Å²	241	147.5 Å²	147.5	91%	0.909	79%	0.79	S	S	*	*			trans	-79.2	141.5	-177.7	-172.5	-176.5	-121.6	-168.9	-1	114.4
37	G	45.8	Very low	44.9	Very low	70 Å²	70	148.1 Å²	148.1	72%	0.722	80%	0.798	S	S	*	*			trans	-147.6	135.2	156.8	0	0	0	0	0	109.9
38	P	49	Very low	45.4	Very low	114 Å²	114	148.9 Å²	148.9	74%	0.74	80%	0.803	S	S	*	*			trans	-113.8	158.3	-172.8	37.7	-26.3	0	0	0	114.1
39	V	49.5	Very low	45.1	Very low	117 Å²	117	146 Å²	146	71%	0.709	79%	0.792	S	S	*	*				170.3	116.6	119.8	159.5	0	0	0	0	111.3
40	K	46.1	Very low	45.5	Very low	177 Å²	177	145.9 Å²	145.9	77%	0.77	79%	0.794	S	S	*	*			trans	44.6	123.8	136.2	-50	174.6	-169.8	178.5	0	120.4
41	N	46.1	Very low	45.4	Very low	151 Å²	151	147 Å²	147	81%	0.807	79%	0.791	S	S	*	*				-170.9	110.7	111	-84.9	-18.4	0	0	0	109.3
42	V	49.2	Very low	44.9	Very low	137 Å²	137	146.9 Å²	146.9	83%	0.83	79%	0.793	S	S	*	*				105.2	116.3	102.1	172.7	0	0	0	0	110.3
43	L	44	Very low	44.9	Very low	161 Å²	161	145.4 Å²	145.4	84%	0.843	78%	0.784	S	S	*	*			trans	-78.4	-165.1	179.1	-55.7	162.8	0	0	0	110
44	P	44.4	Very low	44.9	Very low	95 Å²	95	145 Å²	145	62%	0.617	79%	0.787	S	S	*	*			cis	-138.8	-168.1	-10.7	18.7	9.5	0	0	0	113.2
45	F	43.4	Very low	44.8	Very low	189 Å²	189	141.3 Å²	141.3	83%	0.829	79%	0.785	S	S	*	*			trans	104.1	101.4	162.1	-59.3	-72.5	0	0	0	116.8
46	A	41.7	Very low	44.4	Very low	84 Å²	84	144.4 Å²	144.4	69%	0.694	79%	0.79	S	S	*	*			trans	46.4	120.7	130.1	0	0	0	0	0	118.2
47	N	44	Very low	44.2	Very low	167 Å²	167	135 Å²	135	89%	0.893	77%	0.769	S	S	*	*				-155.1	128.3	108.6	-92.1	-11.6	0	0	0	111
48	V	49.2	Very low	43.6	Very low	142 Å²	142	135.9 Å²	135.9	86%	0.861	76%	0.763	S	S	*	*			trans	-68.8	156.1	164.3	170.4	0	0	0	0	108.6
49	A	39.2	Very low	43.5	Very low	70 Å²	70	137.8 Å²	137.8	58%	0.579	77%	0.767	S	S	*	*			trans	87.8	99.8	168.3	0	0	0	0	0	116.3
50	E	50.3	Low	43.5	Very low	192 Å²	192	138.5 Å²	138.5	90%	0.897	76%	0.763	S	S	*	*				-124.7	98	116.5	-72.5	-160.3	155.5	0	0	107.8	S52	E50-S52 PolarHBondContact O-N 3.36Å
51	H	42.6	Very low	44.2	Very low	146 Å²	146	137.4 Å²	137.4	68%	0.676	76%	0.761	S	S	*	*			trans	-47.1	112.1	153.7	-84.3	-92.6	0	0	0	108.1	L53	H51-L53 HydrophobicContact CB-CB 3.91Å; H51-L53 HydrophobicContact CB-CD1 3.75Å; H51-L53 HydrophobicContact CB-CG 3.71Å; H51-L53 WeakPolarHBondContact ND1-CD1 3.2Å; H51-L53 PolarHBondContact O-N 2.79Å
52	S	40.5	Very low	45.6	Very low	132 Å²	132	134.6 Å²	134.6	92%	0.923	75%	0.745	S	S	*	*			trans	-68.9	66.3	153.4	-70.3	0	0	0	0	108.1	E50	E50-S52 PolarHBondContact O-N 3.36Å
53	L	46.2	Very low	47.6	Very low	123 Å²	123	128.2 Å²	128.2	64%	0.644	71%	0.708	S	S	*	*			trans	-108.2	67.5	169.8	-79.1	176.5	0	0	0	107.1	H51	H51-L53 HydrophobicContact CB-CB 3.91Å; H51-L53 HydrophobicContact CB-CD1 3.75Å; H51-L53 HydrophobicContact CB-CG 3.71Å; H51-L53 WeakPolarHBondContact ND1-CD1 3.2Å; H51-L53 PolarHBondContact O-N 2.79Å
54	L	45.7	Very low	50.1	Low	170 Å²	170	120.7 Å²	120.7	89%	0.89	67%	0.669	S	S	*	*	S	Bend	trans	-149.1	103.3	164	-72.1	-179	0	0	0	110.7
55	N	37.9	Very low	52.7	Low	150 Å²	150	121.8 Å²	121.8	80%	0.802	66%	0.66	S	S	*	*			trans	61.6	80.1	160.7	-89.5	12	0	0	0	119.8	G57	N55-G57 PolarHBondContact O-N 3.43Å
56	Q	37.9	Very low	55.3	Low	204 Å²	204	115 Å²	115	95%	0.953	63%	0.632	S	S	*	*				-75.1	84.6	120.7	-75	-176.4	-4.1	0	0	105.5	S58	Q56-S58 PolarHBondContact O-N 3.14Å
57	G	36.1	Very low	58	Low	45 Å²	45	114.6 Å²	114.6	46%	0.464	62%	0.621	S	S	.	*			trans	-58.5	121.4	175.7	0	0	0	0	0	107.4	N55	N55-G57 PolarHBondContact O-N 3.43Å
58	S	33.6	Very low	60.5	Low	87 Å²	87	113.3 Å²	113.3	61%	0.608	61%	0.607	S	S	*	*			trans	12.2	116	163.4	51.4	0	0	0	0	114.6	Q56 Q60	Q56-S58 PolarHBondContact O-N 3.14Å; S58-Q60 PolarHBondContact O-N 3.32Å
59	D	45.9	Very low	62.9	Low	154 Å²	154	108.4 Å²	108.4	82%	0.824	58%	0.582	S	S	*	*			trans	-47.3	93.6	147.9	-66.1	-52	0	0	0	106.9	E61	D59-E61 HydrophobicContact CB-CG 4.09Å; D59-E61 PolarHBondContact O-N 3.01Å
60	Q	49.6	Very low	65.7	Low	132 Å²	132	106.3 Å²	106.3	62%	0.617	56%	0.563	S	S	*	*			trans	-75.1	70.2	175.2	-169.6	101.6	13.7	0	0	104.7	S58 D62 G63	S58-Q60 PolarHBondContact O-N 3.32Å; Q60-D62 PolarHBondContact O-N 3.26Å; Q60-D62 VanDerWaalsContact O-N 3.15Å; Q60-G63 PolarHBondContact O-N 3.25Å; Q60-G63 VanDerWaalsContact O-N 3.15Å
61	E	60.4	Low	67.9	Low	154 Å²	154	102.6 Å²	102.6	72%	0.72	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-31	-175	-77.4	-163.3	131.9	0	0	110.7	D59 R65	D59-E61 HydrophobicContact CB-CG 4.09Å; D59-E61 PolarHBondContact O-N 3.01Å; E61-R65 PolarHBondContact O-NH1 3.45Å; E61-R65 VanDerWaalsContact O-NH1 3.08Å
62	D	75.4	Confident	70.5	Confident	92 Å²	92	101.8 Å²	101.8	49%	0.492	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-10.7	-176.9	-63	-28	0	0	0	115.3	Q60 Q91	Q60-D62 PolarHBondContact O-N 3.26Å; Q60-D62 VanDerWaalsContact O-N 3.15Å; D62-Q91 HydrophobicContact CB-CB 4.48Å; D62-Q91 PolarHBondContact O-N 2.62Å
63	G	92	Very high	73.2	Confident	4 Å²	4	97 Å²	97	4%	0.041	51%	0.507	C	S	.	.	S	Bend	trans	-69.6	152.5	-177.8	0	0	0	0	0	113.7	Q60 R65	Q60-G63 PolarHBondContact O-N 3.25Å; Q60-G63 VanDerWaalsContact O-N 3.15Å; G63-R65 PolarHBondContact O-NH1 3.23Å; G63-R65 VanDerWaalsContact O-NH1 3.17Å
64	V	97.4	Very high	75.6	Confident	3 Å²	3	93 Å²	93	2%	0.018	49%	0.485	C	S	.	.			trans	-74.5	131.8	178.1	-174.2	0	0	0	0	110.1	A88 V89 P94 A144 N146 D149 V151	V64-A88 HydrophobicContact CG1-CB 4.38Å; V64-V89 CarbonylContact C-O 3.59Å; V64-V89 VanDerWaalsContact CA-O 3.31Å; V64-V89 WeakPolarHBondContact CA-O 3.34Å; V64-P94 HydrophobicContact CG1-CB 3.67Å; V64-P94 HydrophobicContact CG1-CG 4.02Å; V64-P94 HydrophobicContact CG2-CB 4.19Å; V64-A144 HydrophobicContact CG1-CB 3.77Å; V64-N146 HydrophobicContact CG2-CB 3.94Å; V64-N146 WeakPolarHBondContact CG2-ND2 3.4Å; V64-N146 WeakPolarHBondContact CG2-OD1 3.34Å; V64-D149 HydrophobicContact CB-CB 4.23Å; V64-D149 HydrophobicContact CG2-CB 4.06Å; V64-D149 WeakPolarHBondContact CG2-O 3.23Å; V64-V151 HydrophobicContact CB-CG2 4Å; V64-V151 HydrophobicContact CG1-CG2 3.52Å; V64-V151 WeakPolarHBondContact O-CG1 3.34Å
65	R	97.5	Very high	78.1	Confident	118 Å²	118	88 Å²	88	45%	0.445	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	130.6	179	-59.1	-173.9	-60	-80.4	7	110.9	E61 G63 V67 A88 V89	E61-R65 PolarHBondContact O-NH1 3.45Å; E61-R65 VanDerWaalsContact O-NH1 3.08Å; G63-R65 PolarHBondContact O-NH1 3.23Å; G63-R65 VanDerWaalsContact O-NH1 3.17Å; R65-V67 PolarHBondContact O-N 3.13Å; R65-A88 CarbonylContact O-C 3.5Å; R65-A88 WeakPolarHBondContact O-CA 3.49Å; R65-V89 HydrophobicContact CB-CG2 4.12Å; R65-V89 PolarHBondContact N-O 2.76Å; R65-V89 PolarHBondContact O-N 3.45Å
66	I	98.1	Very high	80.9	Confident	47 Å²	47	81.3 Å²	81.3	24%	0.241	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	113.1	169.3	-64.4	171.8	0	0	0	108	A69 S87 A88 A144 V151 K153	I66-A69 HydrophobicContact CG2-CB 4.04Å; I66-S87 CarbonylContact C-O 3.56Å; I66-S87 WeakPolarHBondContact CA-O 3.26Å; I66-A88 HydrophobicContact CG1-CB 4.29Å; I66-A144 HydrophobicContact CG1-CB 4.29Å; I66-V151 HydrophobicContact CD1-CG2 4.26Å; I66-V151 HydrophobicContact CG1-CG2 3.9Å; I66-K153 HydrophobicContact CD1-CB 3.64Å
67	V	97.8	Very high	83.8	Confident	75 Å²	75	78.9 Å²	78.9	46%	0.455	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-23.1	-174.4	-67.5	0	0	0	0	113.2	R65 S87 V89	R65-V67 PolarHBondContact O-N 3.13Å; V67-S87 WeakPolarHBondContact CG2-O 2.94Å; V67-S87 PolarHBondContact N-O 2.89Å; V67-V89 HydrophobicContact CG1-CB 4.32Å; V67-V89 HydrophobicContact CG1-CG1 3.89Å; V67-V89 HydrophobicContact CG1-CG2 3.56Å; V67-V89 HydrophobicContact CG2-CG1 3.92Å
68	K	98	Very high	86.8	Confident	139 Å²	139	80.1 Å²	80.1	60%	0.604	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-151.5	135.1	176.4	-179.5	-178.7	-179.5	-180	0	109.8	L85 S87	K68-L85 HydrophobicContact CD-CD2 4.3Å; K68-L85 HydrophobicContact CG-CD2 4.02Å; K68-S87 PolarHBondContact N-O 3.09Å; K68-S87 WeakPolarHBondContact O-CA 3.4Å; K68-S87 WeakPolarHBondContact O-CB 3.44Å; K68-S87 PolarHBondContact O-N 3.44Å
69	A	98.1	Very high	89.8	Confident	39 Å²	39	78.1 Å²	78.1	32%	0.322	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	159.6	177.7	0	0	0	0	0	111	I66 L85 F155	I66-A69 HydrophobicContact CG2-CB 4.04Å; A69-L85 CarbonylContact C-O 3.56Å; A69-L85 VanDerWaalsContact CA-O 3.23Å; A69-L85 WeakPolarHBondContact CA-O 3.44Å; A69-F155 HydrophobicContact CB-CE1 3.93Å; A69-F155 HydrophobicContact CB-CZ 3.93Å
70	S	98.3	Very high	92.3	Very high	26 Å²	26	71.9 Å²	71.9	18%	0.182	37%	0.372	C	S	.	.			trans	-59.5	161.9	168.3	-74	0	0	0	0	111.3	N83 L85 F155	S70-N83 PolarHBondContact OG-O 3.15Å; S70-L85 PolarHBondContact N-O 2.89Å; S70-L85 PolarHBondContact OG-N 3.02Å; S70-F155 WeakPolarHBondContact O-CE1 3.29Å
71	H	97.5	Very high	94.6	Very high	114 Å²	114	71.2 Å²	71.2	53%	0.528	37%	0.367	S	S	.	.			trans	-60.9	148.9	172.8	-176.9	-102.4	0	0	0	111	S73 Q74	H71-S73 PolarHBondContact ND1-N 2.8Å; H71-S73 PolarHBondContact ND1-O 3.19Å; H71-S73 PolarHBondContact O-N 3.38Å; H71-S73 VanDerWaalsContact O-N 3.12Å; H71-Q74 PolarHBondContact O-NE2 2.93Å
72	F	97	Very high	96.4	Very high	129 Å²	129	64.1 Å²	64.1	57%	0.566	33%	0.334	S	S	*	.	S	Bend	trans	-62	-23.7	-174.7	75.8	-91.5	0	0	0	113.6	F155 K156	F72-F155 CarbonylContact O-C 3.51Å; F72-F155 WeakPolarHBondContact O-CA 3.31Å; F72-K156 PolarHBondContact O-N 2.83Å
73	S	97.4	Very high	97.4	Very high	33 Å²	33	61.5 Å²	61.5	23%	0.231	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	129.1	174	-178	0	0	0	0	109.8	H71 K156	H71-S73 PolarHBondContact ND1-N 2.8Å; H71-S73 PolarHBondContact ND1-O 3.19Å; H71-S73 PolarHBondContact O-N 3.38Å; H71-S73 VanDerWaalsContact O-N 3.12Å; S73-K156 CarbonylContact C-O 3.59Å; S73-K156 WeakPolarHBondContact CA-O 3.36Å
74	Q	96.9	Very high	97.7	Very high	38 Å²	38	61.3 Å²	61.3	18%	0.178	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	119.5	179.5	-60.7	-61.5	-57.8	0	0	108.5	H71 L82 I84 K156 S157 E158	H71-Q74 PolarHBondContact O-NE2 2.93Å; Q74-L82 HydrophobicContact CB-CD2 4.26Å; Q74-I84 HydrophobicContact CG-CG1 4.35Å; Q74-K156 PolarHBondContact N-O 3.18Å; Q74-S157 CarbonylContact O-C 3.56Å; Q74-S157 VanDerWaalsContact O-CA 3.24Å; Q74-S157 WeakPolarHBondContact O-CA 3.39Å; Q74-E158 PolarHBondContact O-N 2.91Å
75	S	96.8	Very high	97.8	Very high	64 Å²	64	62.6 Å²	62.6	45%	0.448	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	139.7	-179.2	-46.8	0	0	0	0	110.4	E158	S75-E158 CarbonylContact C-O 3.53Å; S75-E158 VanDerWaalsContact CA-O 3.23Å; S75-E158 WeakPolarHBondContact CA-O 3.07Å
76	C	97.7	Very high	97.9	Very high	10 Å²	10	57 Å²	57	7%	0.068	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	163.2	172.6	77.6	0	0	0	0	111.7	L82 A132 E158 V159 Y160	C76-L82 HydrophobicContact CB-CD2 3.66Å; C76-L82 HydrophobicContact CB-CG 4.12Å; C76-L82 VanDerWaalsContact SG-CD2 3.55Å; C76-L82 WeakPolarHBondContact SG-CG 3.26Å; C76-A132 WeakPolarHBondContact SG-CB 3.48Å; C76-E158 PolarHBondContact N-O 2.86Å; C76-V159 VanDerWaalsContact O-CA 3.31Å; C76-V159 WeakPolarHBondContact O-CA 3.18Å; C76-Y160 WeakPolarHBondContact O-CD1 3.4Å; C76-Y160 WeakPolarHBondContact O-CE1 3.11Å; C76-Y160 PolarHBondContact O-N 2.81Å
77	R	98.2	Very high	97.9	Very high	154 Å²	154	55 Å²	55	58%	0.581	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	151.7	169	-164.9	179.5	-179.4	163.1	6.8	110.7	G79 G80 Y160 Y161	R77-G79 PolarHBondContact O-N 3.15Å; R77-G80 WeakPolarHBondContact O-CA 3.25Å; R77-G80 PolarHBondContact O-N 3.08Å; R77-Y160 CarbonylContact C-O 3.59Å; R77-Y160 VanDerWaalsContact CA-O 3.26Å; R77-Y160 WeakPolarHBondContact CA-O 3.26Å; R77-Y160 HydrophobicContact CB-CE2 4.09Å; R77-Y160 HydrophobicContact CG-CE2 4.3Å; R77-Y161 PolarHBondContact NE-OXT 2.85Å; R77-Y161 PolarHBondContact NH2-OXT 3.33Å
78	L	98.3	Very high	97.9	Very high	70 Å²	70	51.4 Å²	51.4	37%	0.366	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	129.4	167.7	-176.8	67.1	0	0	0	109.8	G80 L134 V159 Y160 Y161	L78-G80 PolarHBondContact O-N 2.78Å; L78-L134 HydrophobicContact CD1-CD2 4.37Å; L78-L134 HydrophobicContact CD1-CG 4.07Å; L78-V159 HydrophobicContact CB-CG1 4.24Å; L78-V159 HydrophobicContact CD1-CG1 4.23Å; L78-Y160 PolarHBondContact N-O 3.15Å; L78-Y161 HydrophobicContact CD2-CD1 4.16Å; L78-Y161 HydrophobicContact CD2-CE1 4.14Å
79	G	98.3	Very high	97.9	Very high	45 Å²	45	45.6 Å²	45.6	46%	0.464	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	-4.5	-172.9	0	0	0	0	0	114.7	R77 A132	R77-G79 PolarHBondContact O-N 3.15Å; G79-A132 PolarHBondContact N-O 2.98Å
80	G	98.2	Very high	97.9	Very high	24 Å²	24	44 Å²	44	25%	0.247	24%	0.235	C	C	.	.	S	Bend	trans	-77.5	-166.9	173	0	0	0	0	0	112.6	R77 L78 A132	R77-G80 WeakPolarHBondContact O-CA 3.25Å; R77-G80 PolarHBondContact O-N 3.08Å; L78-G80 PolarHBondContact O-N 2.78Å; G80-A132 WeakPolarHBondContact O-CB 3.28Å; G80-A132 PolarHBondContact O-N 3.29Å
81	K	97.8	Very high	97.8	Very high	118 Å²	118	47.4 Å²	47.4	51%	0.513	25%	0.248	S	C	.	.			trans	-115.5	134.4	-179.7	-52.7	-163.1	-173.8	-147.5	0	111.8	I129 D130	K81-I129 WeakPolarHBondContact CA-O 3.19Å; K81-D130 HydrophobicContact CD-CB 4.19Å; K81-D130 WeakPolarHBondContact CD-OD2 3.36Å; K81-D130 WeakPolarHBondContact CE-OD2 3.25Å; K81-D130 HydrophobicContact CG-CB 4.09Å; K81-D130 IonicContact NZ-OD2 2.65Å; K81-D130 PolarHBondContact NZ-OD2 3.16Å
82	L	97.5	Very high	97.7	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.021	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	142.7	167.1	-68.1	168.6	0	0	0	110.2	Q74 C76 E128 I129 A132 V159	Q74-L82 HydrophobicContact CB-CD2 4.26Å; C76-L82 HydrophobicContact CB-CD2 3.66Å; C76-L82 HydrophobicContact CB-CG 4.12Å; C76-L82 VanDerWaalsContact SG-CD2 3.55Å; C76-L82 WeakPolarHBondContact SG-CG 3.26Å; L82-E128 WeakPolarHBondContact O-CA 3.45Å; L82-I129 HydrophobicContact CB-CB 4.16Å; L82-I129 HydrophobicContact CB-CG1 4.46Å; L82-I129 HydrophobicContact CD1-CD1 4.42Å; L82-I129 PolarHBondContact N-O 2.91Å; L82-I129 PolarHBondContact O-N 2.68Å; L82-A132 HydrophobicContact CD1-CB 4.28Å; L82-A132 HydrophobicContact CG-CB 4.29Å; L82-V159 HydrophobicContact CD1-CG2 4.06Å
83	N	97.6	Very high	97.7	Very high	37 Å²	37	42.1 Å²	42.1	20%	0.198	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	107.3	-176.1	-80.5	-68.4	0	0	0	110.8	S70 R126 I127 E128	S70-N83 PolarHBondContact OG-O 3.15Å; N83-R126 PolarHBondContact OD1-NE 2.93Å; N83-R126 VanDerWaalsContact OD1-NE 3.1Å; N83-R126 PolarHBondContact OD1-NH2 2.97Å; N83-I127 WeakPolarHBondContact CA-O 3.45Å; N83-E128 WeakPolarHBondContact OD1-CB 3.45Å; N83-E128 WeakPolarHBondContact OD1-CG 3.23Å; N83-E128 PolarHBondContact OD1-OE2 2.84Å
84	I	98.3	Very high	97.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	119.4	-176.1	-43.5	-176.7	0	0	0	108.6	Q74 W98 R126 I127 Y140 F155	Q74-I84 HydrophobicContact CG-CG1 4.35Å; I84-W98 HydrophobicContact CB-CH2 4.23Å; I84-W98 HydrophobicContact CB-CZ3 4.47Å; I84-W98 HydrophobicContact CG2-CH2 3.62Å; I84-W98 HydrophobicContact CG2-CZ3 3.78Å; I84-R126 CarbonylContact O-C 3.39Å; I84-R126 VanDerWaalsContact O-CA 3.3Å; I84-R126 WeakPolarHBondContact O-CA 3.23Å; I84-I127 PolarHBondContact N-O 2.76Å; I84-I127 PolarHBondContact O-N 3.42Å; I84-Y140 HydrophobicContact CD1-CD1 4.23Å; I84-Y140 HydrophobicContact CD1-CD2 3.64Å; I84-Y140 HydrophobicContact CD1-CE2 4.24Å; I84-Y140 HydrophobicContact CD1-CG 3.65Å; I84-F155 HydrophobicContact CG2-CB 4.01Å; I84-F155 HydrophobicContact CG2-CD1 3.84Å; I84-F155 HydrophobicContact CG2-CD2 3.73Å; I84-F155 HydrophobicContact CG2-CE1 4.21Å; I84-F155 HydrophobicContact CG2-CE2 4.12Å; I84-F155 HydrophobicContact CG2-CG 3.57Å; I84-F155 HydrophobicContact CG2-CZ 4.34Å
85	L	98.5	Very high	97.8	Very high	30 Å²	30	42.6 Å²	42.6	16%	0.157	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	141.8	-178.1	179.6	145.6	0	0	0	110.3	K68 A69 S70 T124	K68-L85 HydrophobicContact CD-CD2 4.3Å; K68-L85 HydrophobicContact CG-CD2 4.02Å; A69-L85 CarbonylContact C-O 3.56Å; A69-L85 VanDerWaalsContact CA-O 3.23Å; A69-L85 WeakPolarHBondContact CA-O 3.44Å; S70-L85 PolarHBondContact N-O 2.89Å; S70-L85 PolarHBondContact OG-N 3.02Å; L85-T124 HydrophobicContact CD1-CG2 4.05Å; L85-T124 HydrophobicContact CG-CG2 4.18Å
86	C	98.6	Very high	97.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	126.3	171.4	-171.8	0	0	0	0	108.5	I96 W98 S125 C142	C86-I96 HydrophobicContact CB-CG2 4.44Å; C86-I96 VanDerWaalsContact O-CD1 3.26Å; C86-I96 WeakPolarHBondContact O-CD1 3.43Å; C86-W98 HydrophobicContact CB-CH2 3.65Å; C86-W98 HydrophobicContact CB-CZ2 3.55Å; C86-S125 PolarHBondContact N-O 3.3Å; C86-S125 PolarHBondContact O-N 2.92Å; C86-S125 VanDerWaalsContact O-O 3.13Å; C86-C142 HydrophobicContact CB-CB 3.54Å; C86-C142 WeakPolarHBondContact CB-SG 3.21Å; C86-C142 WeakPolarHBondContact SG-CB 3.24Å; C86-C142 CovalentContact SG-SG 2.06Å; C86-C142 PolarHBondContact SG-SG 2.82Å
87	S	98.6	Very high	97.9	Very high	5 Å²	5	41.5 Å²	41.5	4%	0.035	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	126.1	179.2	-176.8	0	0	0	0	108.8	I66 V67 K68 Q123 T124	I66-S87 CarbonylContact C-O 3.56Å; I66-S87 WeakPolarHBondContact CA-O 3.26Å; V67-S87 WeakPolarHBondContact CG2-O 2.94Å; V67-S87 PolarHBondContact N-O 2.89Å; K68-S87 PolarHBondContact N-O 3.09Å; K68-S87 WeakPolarHBondContact O-CA 3.4Å; K68-S87 WeakPolarHBondContact O-CB 3.44Å; K68-S87 PolarHBondContact O-N 3.44Å; S87-Q123 CarbonylContact C-O 3.51Å; S87-Q123 VanDerWaalsContact CA-O 3.31Å; S87-Q123 WeakPolarHBondContact CA-O 3.41Å; S87-T124 VanDerWaalsContact CB-OG1 3.26Å; S87-T124 WeakPolarHBondContact CB-OG1 3.36Å; S87-T124 PolarHBondContact OG-OG1 2.89Å
88	A	98.4	Very high	98	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	148.5	-175.3	0	0	0	0	0	111.3	V64 R65 I66 P94 I96 R122 Q123 A144	V64-A88 HydrophobicContact CG1-CB 4.38Å; R65-A88 CarbonylContact O-C 3.5Å; R65-A88 WeakPolarHBondContact O-CA 3.49Å; I66-A88 HydrophobicContact CG1-CB 4.29Å; A88-P94 HydrophobicContact CB-CB 4.4Å; A88-P94 HydrophobicContact CB-CG 3.68Å; A88-I96 HydrophobicContact CB-CD1 4.24Å; A88-R122 WeakPolarHBondContact O-CA 3.36Å; A88-Q123 PolarHBondContact N-O 3.05Å; A88-Q123 PolarHBondContact O-N 2.79Å; A88-A144 HydrophobicContact CB-CB 3.4Å; A88-A144 VanDerWaalsContact CB-CB 3.4Å
89	V	98.1	Very high	98	Very high	17 Å²	17	34.8 Å²	34.8	10%	0.103	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	155.5	171.6	-57.9	0	0	0	0	110.4	V64 R65 V67 S121 R122	V64-V89 CarbonylContact C-O 3.59Å; V64-V89 VanDerWaalsContact CA-O 3.31Å; V64-V89 WeakPolarHBondContact CA-O 3.34Å; R65-V89 HydrophobicContact CB-CG2 4.12Å; R65-V89 PolarHBondContact N-O 2.76Å; R65-V89 PolarHBondContact O-N 3.45Å; V67-V89 HydrophobicContact CG1-CB 4.32Å; V67-V89 HydrophobicContact CG1-CG1 3.89Å; V67-V89 HydrophobicContact CG1-CG2 3.56Å; V67-V89 HydrophobicContact CG2-CG1 3.92Å; V89-S121 CarbonylContact C-O 3.19Å; V89-S121 WeakPolarHBondContact CA-O 3.06Å; V89-R122 HydrophobicContact CG1-CB 4.01Å; V89-R122 HydrophobicContact CG1-CG 3.89Å
90	G	97.1	Very high	98	Very high	5 Å²	5	34.6 Å²	34.6	5%	0.052	18%	0.177	C	C	.	.			trans	175.9	164.4	174.9	0	0	0	0	0	110.3	P92 R93 S121	G90-P92 CarbonylContact C-O 3.42Å; G90-P92 CarbonylContact O-C 3.55Å; G90-P92 VanDerWaalsContact O-O 3.12Å; G90-R93 PolarHBondContact O-N 2.86Å; G90-S121 PolarHBondContact N-O 2.94Å; G90-S121 CarbonylContact O-C 3.55Å; G90-S121 WeakPolarHBondContact O-CA 3.49Å; G90-S121 VanDerWaalsContact O-CB 3.25Å; G90-S121 WeakPolarHBondContact O-CB 3.11Å; G90-S121 VanDerWaalsContact O-O 3.08Å
91	Q	96.3	Very high	98	Very high	99 Å²	99	38 Å²	38	46%	0.463	19%	0.19	S	C	.	.	S	Bend	trans	-126.2	107.9	174.2	-172.5	64.9	12.2	0	0	108.6	D62 N148	D62-Q91 HydrophobicContact CB-CB 4.48Å; D62-Q91 PolarHBondContact O-N 2.62Å; Q91-N148 PolarHBondContact O-ND2 2.74Å
92	P	96.6	Very high	98	Very high	51 Å²	51	35.7 Å²	35.7	33%	0.331	20%	0.2	S	C	.	.	S	Bend	cis	-64.6	162.6	0.1	-20.5	33.3	0	0	0	114.9	G90 N146 E147	G90-P92 CarbonylContact C-O 3.42Å; G90-P92 CarbonylContact O-C 3.55Å; G90-P92 VanDerWaalsContact O-O 3.12Å; P92-N146 WeakPolarHBondContact O-CB 3.48Å; P92-N146 PolarHBondContact O-ND2 3.16Å; P92-E147 HydrophobicContact CG-CG 4.14Å; P92-E147 VanDerWaalsContact CG-OE1 3.29Å; P92-E147 WeakPolarHBondContact CG-OE1 3.31Å
93	R	97	Very high	98.1	Very high	81 Å²	81	38.3 Å²	38.3	31%	0.306	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-48.9	128.9	174.5	172.7	171.6	65.3	-118.5	-6.3	111	G90 S119 D120 R122 Q123	G90-R93 PolarHBondContact O-N 2.86Å; R93-S119 WeakPolarHBondContact CD-O 3.45Å; R93-S119 PolarHBondContact NH1-O 2.06Å; R93-D120 WeakPolarHBondContact CB-O 3.45Å; R93-D120 PolarHBondContact N-O 2.87Å; R93-D120 IonicContact NH1-OD1 3.84Å; R93-R122 WeakPolarHBondContact CD-O 3.11Å; R93-Q123 HydrophobicContact CG-CB 3.99Å
94	P	98.3	Very high	98.1	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.006	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-70.9	145.9	178.2	28.9	-35	0	0	0	111.8	V64 A88 Q123 A144 H145	V64-P94 HydrophobicContact CG1-CB 3.67Å; V64-P94 HydrophobicContact CG1-CG 4.02Å; V64-P94 HydrophobicContact CG2-CB 4.19Å; A88-P94 HydrophobicContact CB-CB 4.4Å; A88-P94 HydrophobicContact CB-CG 3.68Å; P94-Q123 HydrophobicContact CG-CB 4.5Å; P94-Q123 WeakPolarHBondContact O-CB 3.47Å; P94-Q123 WeakPolarHBondContact O-CG 2.96Å; P94-A144 HydrophobicContact CB-CB 4.26Å; P94-H145 CarbonylContact C-O 3.54Å; P94-H145 VanDerWaalsContact CA-O 3.26Å; P94-H145 WeakPolarHBondContact CA-O 3.49Å
95	T	98.2	Very high	98.1	Very high	80 Å²	80	43.8 Å²	43.8	49%	0.491	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	149	161.4	56.7	0	0	0	0	109.2	A144 H145	T95-A144 CarbonylContact O-C 3.08Å; T95-A144 VanDerWaalsContact O-CA 3.28Å; T95-A144 WeakPolarHBondContact O-CA 3.2Å; T95-H145 PolarHBondContact N-O 2.79Å; T95-H145 PolarHBondContact O-N 2.83Å; T95-H145 PolarHBondContact OG1-O 2.83Å
96	I	98.6	Very high	98	Very high	7 Å²	7	47.3 Å²	47.3	4%	0.036	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	113.9	177.1	-61.7	177.7	0	0	0	109.3	C86 A88 Q123 C142 V143 A144	C86-I96 HydrophobicContact CB-CG2 4.44Å; C86-I96 VanDerWaalsContact O-CD1 3.26Å; C86-I96 WeakPolarHBondContact O-CD1 3.43Å; A88-I96 HydrophobicContact CB-CD1 4.24Å; I96-Q123 HydrophobicContact CB-CG 4.49Å; I96-Q123 HydrophobicContact CD1-CB 4.21Å; I96-Q123 HydrophobicContact CD1-CG 3.93Å; I96-Q123 WeakPolarHBondContact CD1-O 3.3Å; I96-Q123 HydrophobicContact CG1-CB 4.36Å; I96-Q123 HydrophobicContact CG1-CG 3.93Å; I96-C142 HydrophobicContact CG2-CB 3.95Å; I96-V143 WeakPolarHBondContact CA-O 3.42Å; I96-A144 HydrophobicContact CG1-CB 4.2Å
97	T	98.6	Very high	97.9	Very high	44 Å²	44	52.1 Å²	52.1	27%	0.27	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	141.9	175	-52.4	0	0	0	0	109.9	Y99 E104 C142 V143	T97-Y99 HydrophobicContact CG2-CE2 3.79Å; T97-E104 HydrophobicContact CG2-CG 4.18Å; T97-C142 WeakPolarHBondContact O-CA 3.45Å; T97-V143 PolarHBondContact N-O 2.84Å; T97-V143 PolarHBondContact O-N 3.4Å
98	W	98.7	Very high	97.7	Very high	9 Å²	9	57.2 Å²	57.2	3%	0.034	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	141.3	-180	-70.7	98.2	0	0	0	112.1	I84 C86 L105 S125 I127 T141 C142 F155	I84-W98 HydrophobicContact CB-CH2 4.23Å; I84-W98 HydrophobicContact CB-CZ3 4.47Å; I84-W98 HydrophobicContact CG2-CH2 3.62Å; I84-W98 HydrophobicContact CG2-CZ3 3.78Å; C86-W98 HydrophobicContact CB-CH2 3.65Å; C86-W98 HydrophobicContact CB-CZ2 3.55Å; W98-L105 HydrophobicContact CB-CB 3.92Å; W98-L105 HydrophobicContact CB-CD2 3.9Å; W98-L105 WeakPolarHBondContact O-CB 3.34Å; W98-L105 PolarHBondContact O-N 3.17Å; W98-S125 PolarHBondContact NE1-OG 2.88Å; W98-I127 HydrophobicContact CB-CD1 3.9Å; W98-I127 HydrophobicContact CD2-CD1 3.23Å; W98-I127 HydrophobicContact CD2-CG1 3.86Å; W98-I127 HydrophobicContact CE3-CD1 3.39Å; W98-I127 HydrophobicContact CE3-CG1 4.4Å; W98-I127 HydrophobicContact CG-CD1 3.48Å; W98-I127 VanDerWaalsContact CG-CD1 3.48Å; W98-I127 HydrophobicContact CG-CG1 3.94Å; W98-I127 HydrophobicContact CH2-CD1 4.4Å; W98-I127 HydrophobicContact CZ2-CD1 4.3Å; W98-I127 HydrophobicContact CZ2-CG1 4.4Å; W98-I127 HydrophobicContact CZ3-CD1 3.98Å; W98-T141 CarbonylContact C-O 3.55Å; W98-T141 WeakPolarHBondContact CA-O 3.37Å; W98-C142 HydrophobicContact CD2-CB 4.04Å; W98-C142 HydrophobicContact CE3-CB 3.79Å; W98-C142 HydrophobicContact CH2-CB 3.74Å; W98-C142 HydrophobicContact CZ2-CB 3.98Å; W98-C142 HydrophobicContact CZ3-CB 3.64Å; W98-F155 HydrophobicContact CH2-CD2 4.31Å; W98-F155 AromaticContact CH2-CE2 3.81Å; W98-F155 HydrophobicContact CH2-CE2 3.81Å; W98-F155 HydrophobicContact CH2-CZ 4.37Å; W98-F155 AromaticContact CZ3-CD2 3.78Å; W98-F155 HydrophobicContact CZ3-CD2 3.78Å; W98-F155 AromaticContact CZ3-CE2 3.6Å; W98-F155 HydrophobicContact CZ3-CE2 3.6Å
99	Y	98.7	Very high	97.7	Very high	74 Å²	74	65 Å²	65	29%	0.29	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	149.7	173.7	-60	-103.8	0	0	0	109.4	T97 A103 E104 Y140 T141 V143	T97-Y99 HydrophobicContact CG2-CE2 3.79Å; Y99-A103 CarbonylContact C-O 3.55Å; Y99-A103 WeakPolarHBondContact CA-O 3.28Å; Y99-A103 VanDerWaalsContact CB-O 3.3Å; Y99-A103 WeakPolarHBondContact CB-O 3.31Å; Y99-E104 HydrophobicContact CD1-CB 4.17Å; Y99-E104 HydrophobicContact CE1-CB 4.05Å; Y99-Y140 CarbonylContact O-C 3.53Å; Y99-Y140 VanDerWaalsContact O-CA 3.25Å; Y99-Y140 WeakPolarHBondContact O-CA 3.4Å; Y99-T141 PolarHBondContact N-O 2.86Å; Y99-T141 PolarHBondContact O-N 2.83Å; Y99-V143 HydrophobicContact CD2-CG2 3.8Å; Y99-V143 HydrophobicContact CE2-CB 4.18Å; Y99-V143 HydrophobicContact CE2-CG2 3.56Å
100	K	98.5	Very high	97.6	Very high	40 Å²	40	65.3 Å²	65.3	17%	0.174	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	123.4	168.9	-177.4	-177.7	-173.1	-67.4	0	108.7	G102 A103 L105 G135 Q137 T139 Y140	K100-G102 PolarHBondContact O-N 2.89Å; K100-G102 VanDerWaalsContact O-N 3.16Å; K100-A103 PolarHBondContact N-O 2.93Å; K100-A103 PolarHBondContact O-N 2.82Å; K100-A103 VanDerWaalsContact O-N 3.1Å; K100-L105 HydrophobicContact CB-CD1 3.95Å; K100-L105 HydrophobicContact CD-CD1 4.5Å; K100-G135 WeakPolarHBondContact CE-O 3.29Å; K100-G135 PolarHBondContact NZ-O 2.83Å; K100-Q137 WeakPolarHBondContact CE-O 3.38Å; K100-Q137 PolarHBondContact NZ-O 2.79Å; K100-T139 WeakPolarHBondContact CA-O 3.48Å; K100-Y140 HydrophobicContact CB-CD1 4.3Å; K100-Y140 HydrophobicContact CB-CE1 4.17Å; K100-Y140 HydrophobicContact CD-CE1 4.04Å; K100-Y140 HydrophobicContact CD-CE2 4.45Å; K100-Y140 WeakPolarHBondContact CE-OH 3.37Å; K100-Y140 HydrophobicContact CG-CE1 4.15Å; K100-Y140 HydrophobicContact CG-CE2 4.46Å
101	D	98.2	Very high	97.7	Very high	95 Å²	95	65.5 Å²	65.5	51%	0.508	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	37.2	178.1	-54.8	-46.8	0	0	0	112.9	G138 T139	D101-G138 VanDerWaalsContact OD1-CA 3.23Å; D101-G138 WeakPolarHBondContact OD1-CA 3.32Å; D101-T139 PolarHBondContact N-O 3.5Å; D101-T139 PolarHBondContact OD1-N 2.75Å
102	G	98.1	Very high	97.8	Very high	70 Å²	70	66 Å²	66	72%	0.722	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.5	-7	177.6	0	0	0	0	0	115.9	K100	K100-G102 PolarHBondContact O-N 2.89Å; K100-G102 VanDerWaalsContact O-N 3.16Å
103	A	98.4	Very high	97.8	Very high	60 Å²	60	66.9 Å²	66.9	50%	0.496	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	149.1	174	0	0	0	0	0	110.9	Y99 K100 L105	Y99-A103 CarbonylContact C-O 3.55Å; Y99-A103 WeakPolarHBondContact CA-O 3.28Å; Y99-A103 VanDerWaalsContact CB-O 3.3Å; Y99-A103 WeakPolarHBondContact CB-O 3.31Å; K100-A103 PolarHBondContact N-O 2.93Å; K100-A103 PolarHBondContact O-N 2.82Å; K100-A103 VanDerWaalsContact O-N 3.1Å; A103-L105 PolarHBondContact O-N 2.66Å
104	E	98.2	Very high	97.9	Very high	130 Å²	130	68.1 Å²	68.1	61%	0.607	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.1	137.5	176.1	-169.7	172.9	170.8	0	0	110.3	T97 Y99 V106	T97-E104 HydrophobicContact CG2-CG 4.18Å; Y99-E104 HydrophobicContact CD1-CB 4.17Å; Y99-E104 HydrophobicContact CE1-CB 4.05Å; E104-V106 PolarHBondContact O-N 2.97Å; E104-V106 VanDerWaalsContact O-N 3.13Å
105	L	98.1	Very high	97.9	Very high	22 Å²	22	72.9 Å²	72.9	12%	0.115	39%	0.394	C	S	.	.			trans	-65.9	114.9	-172.5	178.8	67	0	0	0	110.5	W98 K100 A103 L107 I111 I127 Y140	W98-L105 HydrophobicContact CB-CB 3.92Å; W98-L105 HydrophobicContact CB-CD2 3.9Å; W98-L105 WeakPolarHBondContact O-CB 3.34Å; W98-L105 PolarHBondContact O-N 3.17Å; K100-L105 HydrophobicContact CB-CD1 3.95Å; K100-L105 HydrophobicContact CD-CD1 4.5Å; A103-L105 PolarHBondContact O-N 2.66Å; L105-L107 HydrophobicContact CD2-CD2 4.46Å; L105-L107 PolarHBondContact O-N 2.91Å; L105-I111 HydrophobicContact CD1-CD1 4.29Å; L105-I111 HydrophobicContact CD2-CG2 4.27Å; L105-I127 HydrophobicContact CD2-CD1 3.41Å; L105-I127 VanDerWaalsContact CD2-CD1 3.41Å; L105-I127 HydrophobicContact CD2-CG1 3.84Å; L105-I127 HydrophobicContact CD2-CG2 4.36Å; L105-Y140 HydrophobicContact CD1-CD1 4.35Å; L105-Y140 HydrophobicContact CD1-CE1 3.78Å
106	V	96.9	Very high	97.9	Very high	104 Å²	104	72.5 Å²	72.5	63%	0.63	39%	0.388	S	S	*	.			trans	-80	118.3	172.4	-178.9	0	0	0	0	109.5	E104 K108	E104-V106 PolarHBondContact O-N 2.97Å; E104-V106 VanDerWaalsContact O-N 3.13Å; V106-K108 PolarHBondContact O-N 2.88Å
107	L	96.3	Very high	97.8	Very high	100 Å²	100	77.7 Å²	77.7	52%	0.524	41%	0.412	S	S	.	.			trans	-69.2	128.1	174.3	-58	-179	0	0	0	110.2	L105 I111 L113	L105-L107 HydrophobicContact CD2-CD2 4.46Å; L105-L107 PolarHBondContact O-N 2.91Å; L107-I111 HydrophobicContact CD2-CG2 3.99Å; L107-L113 HydrophobicContact CD1-CB 4.36Å; L107-L113 HydrophobicContact CD2-CB 4.05Å
108	K	95.3	Very high	97.5	Very high	112 Å²	112	80.2 Å²	80.2	49%	0.487	42%	0.421	S	S	.	.			trans	-120.7	171.4	177.7	-61.8	175.1	-172.5	171	0	108.7	V106 N110 I111	V106-K108 PolarHBondContact O-N 2.88Å; K108-N110 WeakPolarHBondContact CB-OD1 3.14Å; K108-N110 PolarHBondContact O-N 3.19Å; K108-I111 HydrophobicContact CB-CD1 4.42Å; K108-I111 HydrophobicContact CB-CG1 4.39Å; K108-I111 HydrophobicContact CD-CD1 4.43Å; K108-I111 PolarHBondContact O-N 3.26Å; K108-I111 VanDerWaalsContact O-O 3.12Å
109	N	96.7	Very high	97.4	Very high	163 Å²	163	82.1 Å²	82.1	87%	0.872	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-29.7	-179.6	-64.9	4.6	0	0	0	114.2	H112	N109-H112 PolarHBondContact O-CE1 3.48Å
110	N	97.6	Very high	97.2	Very high	25 Å²	25	85 Å²	85	13%	0.134	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-3.2	178.9	67.7	-48	0	0	0	113.7	K108 I129 D130 P131 D136	K108-N110 WeakPolarHBondContact CB-OD1 3.14Å; K108-N110 PolarHBondContact O-N 3.19Å; N110-I129 WeakPolarHBondContact ND2-CG2 3.43Å; N110-I129 CarbonylContact O-C 3.51Å; N110-I129 VanDerWaalsContact O-CA 3.23Å; N110-I129 WeakPolarHBondContact O-CA 3.49Å; N110-D130 PolarHBondContact O-N 3.1Å; N110-P131 PolarHBondContact ND2-O 2.82Å; N110-D136 PolarHBondContact ND2-OD1 2.89Å; N110-D136 PolarHBondContact ND2-OD2 2.83Å
111	I	98.2	Very high	97.1	Very high	9 Å²	9	85.3 Å²	85.3	5%	0.046	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	116.2	-175.4	-55.2	-178.1	0	0	0	109.2	L105 L107 K108 I127 E128 I129	L105-I111 HydrophobicContact CD1-CD1 4.29Å; L105-I111 HydrophobicContact CD2-CG2 4.27Å; L107-I111 HydrophobicContact CD2-CG2 3.99Å; K108-I111 HydrophobicContact CB-CD1 4.42Å; K108-I111 HydrophobicContact CB-CG1 4.39Å; K108-I111 HydrophobicContact CD-CD1 4.43Å; K108-I111 PolarHBondContact O-N 3.26Å; K108-I111 VanDerWaalsContact O-O 3.12Å; I111-I127 HydrophobicContact CG2-CG2 3.72Å; I111-E128 WeakPolarHBondContact CA-O 3.42Å; I111-I129 HydrophobicContact CG1-CG1 4.22Å; I111-I129 HydrophobicContact CG1-CG2 4.36Å
112	H	97.9	Very high	97.1	Very high	109 Å²	109	85.2 Å²	85.2	51%	0.505	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	125.4	178.6	-58	85.1	0	0	0	109.6	N109 E128	N109-H112 PolarHBondContact O-CE1 3.48Å; H112-E128 PolarHBondContact N-O 2.85Å; H112-E128 PolarHBondContact O-N 2.89Å
113	L	98.2	Very high	97.1	Very high	70 Å²	70	82.2 Å²	82.2	37%	0.366	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	125.2	174.3	-174.7	68	0	0	0	109.3	L107 E115 S125 I127	L107-L113 HydrophobicContact CD1-CB 4.36Å; L107-L113 HydrophobicContact CD2-CB 4.05Å; L113-E115 HydrophobicContact CD2-CG 4.42Å; L113-E115 HydrophobicContact CG-CG 4.3Å; L113-S125 WeakPolarHBondContact CD1-OG 3.46Å; L113-I127 HydrophobicContact CD1-CG1 4.12Å
114	Q	97.9	Very high	97.1	Very high	107 Å²	107	79.7 Å²	79.7	50%	0.5	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	125.8	173.2	-176.4	-178.5	30.3	0	0	109.7	I116 S125 R126	Q114-I116 HydrophobicContact CG-CG1 4.32Å; Q114-S125 CarbonylContact O-C 3.55Å; Q114-S125 WeakPolarHBondContact O-CA 3.3Å; Q114-R126 HydrophobicContact CB-CB 4.45Å; Q114-R126 PolarHBondContact N-O 3.28Å; Q114-R126 PolarHBondContact O-N 2.86Å
115	E	98	Very high	97.2	Very high	100 Å²	100	73.5 Å²	73.5	47%	0.467	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	136.5	176	-61.2	-167.5	129.2	0	0	110.5	L113 T124	L113-E115 HydrophobicContact CD2-CG 4.42Å; L113-E115 HydrophobicContact CG-CG 4.3Å; E115-T124 CarbonylContact C-O 3.5Å; E115-T124 WeakPolarHBondContact CA-O 3.26Å
116	I	97.9	Very high	97.2	Very high	73 Å²	73	75.9 Å²	75.9	37%	0.374	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	117.5	-177.1	-52.7	173.2	0	0	0	108	Q114 E118 T124	Q114-I116 HydrophobicContact CG-CG1 4.32Å; I116-E118 HydrophobicContact CG2-CG 3.93Å; I116-E118 PolarHBondContact O-N 2.92Å; I116-T124 PolarHBondContact N-O 2.75Å; I116-T124 PolarHBondContact O-N 3.35Å
117	H	96.6	Very high	97.2	Very high	115 Å²	115	71 Å²	71	53%	0.532	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	93	177.5	-59.6	-176.2	0	0	0	107.3	Q123	H117-Q123 PolarHBondContact CD2-NE2 2.65Å; H117-Q123 PolarHBondContact CD2-OE1 2.77Å; H117-Q123 PolarHBondContact NE2-NE2 3.34Å; H117-Q123 VanDerWaalsContact NE2-NE2 3.19Å; H117-Q123 PolarHBondContact NE2-OE1 3.1Å
118	E	93.4	Very high	97.3	Very high	97 Å²	97	69 Å²	69	45%	0.453	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	-32	-173.5	-69.9	177.7	-149.3	0	0	112.5	I116 R122 T124	I116-E118 HydrophobicContact CG2-CG 3.93Å; I116-E118 PolarHBondContact O-N 2.92Å; E118-R122 HydrophobicContact CB-CB 4.26Å; E118-R122 HydrophobicContact CB-CG 4.18Å; E118-R122 PolarHBondContact N-O 3.07Å; E118-R122 WeakPolarHBondContact OE2-CD 3.34Å; E118-R122 IonicContact OE2-CZ 3.98Å; E118-R122 IonicContact OE2-NE 3.91Å; E118-R122 IonicContact OE2-NH1 3.16Å; E118-R122 PolarHBondContact OE2-NH1 3.46Å; E118-R122 VanDerWaalsContact OE2-NH1 3.16Å; E118-T124 WeakPolarHBondContact OE1-CB 3.47Å; E118-T124 PolarHBondContact OE1-OG1 2.88Å
119	S	95.7	Very high	97.5	Very high	49 Å²	49	63.7 Å²	63.7	34%	0.343	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	179.8	178.3	71.4	0	0	0	0	111.3	R93 S121 R122	R93-S119 WeakPolarHBondContact CD-O 3.45Å; R93-S119 PolarHBondContact NH1-O 2.06Å; S119-S121 PolarHBondContact O-N 3.46Å; S119-S121 VanDerWaalsContact O-N 3.14Å; S119-S121 PolarHBondContact OG-N 3.43Å; S119-S121 PolarHBondContact OG-OG 2.83Å; S119-R122 PolarHBondContact O-N 3.13Å; S119-R122 WeakPolarHBondContact OG-CB 3.5Å; S119-R122 PolarHBondContact OG-N 2.85Å; S119-R122 VanDerWaalsContact OG-N 3.13Å
120	D	95.2	Very high	97.5	Very high	135 Å²	135	58.3 Å²	58.3	72%	0.722	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-6.3	173.4	-68.9	-27.4	0	0	0	115.1	R93	R93-D120 WeakPolarHBondContact CB-O 3.45Å; R93-D120 PolarHBondContact N-O 2.87Å; R93-D120 IonicContact NH1-OD1 3.84Å
121	S	96.8	Very high	97.6	Very high	46 Å²	46	60.5 Å²	60.5	32%	0.322	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.5	-2.3	179.9	61.1	0	0	0	0	113.6	V89 G90 S119	V89-S121 CarbonylContact C-O 3.19Å; V89-S121 WeakPolarHBondContact CA-O 3.06Å; G90-S121 PolarHBondContact N-O 2.94Å; G90-S121 CarbonylContact O-C 3.55Å; G90-S121 WeakPolarHBondContact O-CA 3.49Å; G90-S121 VanDerWaalsContact O-CB 3.25Å; G90-S121 WeakPolarHBondContact O-CB 3.11Å; G90-S121 VanDerWaalsContact O-O 3.08Å; S119-S121 PolarHBondContact O-N 3.46Å; S119-S121 VanDerWaalsContact O-N 3.14Å; S119-S121 PolarHBondContact OG-N 3.43Å; S119-S121 PolarHBondContact OG-OG 2.83Å
122	R	98.1	Very high	97.6	Very high	94 Å²	94	60.1 Å²	60.1	36%	0.355	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	131.2	-174.7	-174	179.7	-71.1	176.4	1.4	113.5	A88 V89 R93 E118 S119	A88-R122 WeakPolarHBondContact O-CA 3.36Å; V89-R122 HydrophobicContact CG1-CB 4.01Å; V89-R122 HydrophobicContact CG1-CG 3.89Å; R93-R122 WeakPolarHBondContact CD-O 3.11Å; E118-R122 HydrophobicContact CB-CB 4.26Å; E118-R122 HydrophobicContact CB-CG 4.18Å; E118-R122 PolarHBondContact N-O 3.07Å; E118-R122 WeakPolarHBondContact OE2-CD 3.34Å; E118-R122 IonicContact OE2-CZ 3.98Å; E118-R122 IonicContact OE2-NE 3.91Å; E118-R122 IonicContact OE2-NH1 3.16Å; E118-R122 PolarHBondContact OE2-NH1 3.46Å; E118-R122 VanDerWaalsContact OE2-NH1 3.16Å; S119-R122 PolarHBondContact O-N 3.13Å; S119-R122 WeakPolarHBondContact OG-CB 3.5Å; S119-R122 PolarHBondContact OG-N 2.85Å; S119-R122 VanDerWaalsContact OG-N 3.13Å
123	Q	98.4	Very high	97.5	Very high	7 Å²	7	57.8 Å²	57.8	3%	0.033	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	135.2	173.9	-175.4	68.3	4.6	0	0	110.2	S87 A88 R93 P94 I96 H117	S87-Q123 CarbonylContact C-O 3.51Å; S87-Q123 VanDerWaalsContact CA-O 3.31Å; S87-Q123 WeakPolarHBondContact CA-O 3.41Å; A88-Q123 PolarHBondContact N-O 3.05Å; A88-Q123 PolarHBondContact O-N 2.79Å; R93-Q123 HydrophobicContact CG-CB 3.99Å; P94-Q123 HydrophobicContact CG-CB 4.5Å; P94-Q123 WeakPolarHBondContact O-CB 3.47Å; P94-Q123 WeakPolarHBondContact O-CG 2.96Å; I96-Q123 HydrophobicContact CB-CG 4.49Å; I96-Q123 HydrophobicContact CD1-CB 4.21Å; I96-Q123 HydrophobicContact CD1-CG 3.93Å; I96-Q123 WeakPolarHBondContact CD1-O 3.3Å; I96-Q123 HydrophobicContact CG1-CB 4.36Å; I96-Q123 HydrophobicContact CG1-CG 3.93Å; H117-Q123 PolarHBondContact CD2-NE2 2.65Å; H117-Q123 PolarHBondContact CD2-OE1 2.77Å; H117-Q123 PolarHBondContact NE2-NE2 3.34Å; H117-Q123 VanDerWaalsContact NE2-NE2 3.19Å; H117-Q123 PolarHBondContact NE2-OE1 3.1Å
124	T	98.7	Very high	97.5	Very high	7 Å²	7	57.6 Å²	57.6	4%	0.043	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	132.2	168.3	-65.2	0	0	0	0	109.1	L85 S87 E115 I116 E118	L85-T124 HydrophobicContact CD1-CG2 4.05Å; L85-T124 HydrophobicContact CG-CG2 4.18Å; S87-T124 VanDerWaalsContact CB-OG1 3.26Å; S87-T124 WeakPolarHBondContact CB-OG1 3.36Å; S87-T124 PolarHBondContact OG-OG1 2.89Å; E115-T124 CarbonylContact C-O 3.5Å; E115-T124 WeakPolarHBondContact CA-O 3.26Å; I116-T124 PolarHBondContact N-O 2.75Å; I116-T124 PolarHBondContact O-N 3.35Å; E118-T124 WeakPolarHBondContact OE1-CB 3.47Å; E118-T124 PolarHBondContact OE1-OG1 2.88Å
125	S	98.7	Very high	97.5	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	138.8	176.5	-176.3	0	0	0	0	109.9	C86 W98 L113 Q114	C86-S125 PolarHBondContact N-O 3.3Å; C86-S125 PolarHBondContact O-N 2.92Å; C86-S125 VanDerWaalsContact O-O 3.13Å; W98-S125 PolarHBondContact NE1-OG 2.88Å; L113-S125 WeakPolarHBondContact CD1-OG 3.46Å; Q114-S125 CarbonylContact O-C 3.55Å; Q114-S125 WeakPolarHBondContact O-CA 3.3Å
126	R	98.5	Very high	97.4	Very high	71 Å²	71	50 Å²	50	27%	0.268	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	129.7	-179.1	179.9	-173.8	-179.9	99.4	-18.3	110.2	N83 I84 Q114	N83-R126 PolarHBondContact OD1-NE 2.93Å; N83-R126 VanDerWaalsContact OD1-NE 3.1Å; N83-R126 PolarHBondContact OD1-NH2 2.97Å; I84-R126 CarbonylContact O-C 3.39Å; I84-R126 VanDerWaalsContact O-CA 3.3Å; I84-R126 WeakPolarHBondContact O-CA 3.23Å; Q114-R126 HydrophobicContact CB-CB 4.45Å; Q114-R126 PolarHBondContact N-O 3.28Å; Q114-R126 PolarHBondContact O-N 2.86Å
127	I	98	Very high	97.4	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	126.6	164.1	-58.6	162.2	0	0	0	108.3	N83 I84 W98 L105 I111 L113 I129 Y140	N83-I127 WeakPolarHBondContact CA-O 3.45Å; I84-I127 PolarHBondContact N-O 2.76Å; I84-I127 PolarHBondContact O-N 3.42Å; W98-I127 HydrophobicContact CB-CD1 3.9Å; W98-I127 HydrophobicContact CD2-CD1 3.23Å; W98-I127 HydrophobicContact CD2-CG1 3.86Å; W98-I127 HydrophobicContact CE3-CD1 3.39Å; W98-I127 HydrophobicContact CE3-CG1 4.4Å; W98-I127 HydrophobicContact CG-CD1 3.48Å; W98-I127 VanDerWaalsContact CG-CD1 3.48Å; W98-I127 HydrophobicContact CG-CG1 3.94Å; W98-I127 HydrophobicContact CH2-CD1 4.4Å; W98-I127 HydrophobicContact CZ2-CD1 4.3Å; W98-I127 HydrophobicContact CZ2-CG1 4.4Å; W98-I127 HydrophobicContact CZ3-CD1 3.98Å; L105-I127 HydrophobicContact CD2-CD1 3.41Å; L105-I127 VanDerWaalsContact CD2-CD1 3.41Å; L105-I127 HydrophobicContact CD2-CG1 3.84Å; L105-I127 HydrophobicContact CD2-CG2 4.36Å; I111-I127 HydrophobicContact CG2-CG2 3.72Å; L113-I127 HydrophobicContact CD1-CG1 4.12Å; I127-I129 HydrophobicContact CG2-CD1 4.42Å; I127-I129 HydrophobicContact CG2-CG1 3.87Å; I127-Y140 HydrophobicContact CD1-CD1 3.93Å; I127-Y140 HydrophobicContact CD1-CE1 4.45Å
128	E	98.1	Very high	97.5	Very high	60 Å²	60	45 Å²	45	28%	0.28	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	125.7	165.7	-179.5	165.5	148.9	0	0	109.5	L82 N83 I111 H112	L82-E128 WeakPolarHBondContact O-CA 3.45Å; N83-E128 WeakPolarHBondContact OD1-CB 3.45Å; N83-E128 WeakPolarHBondContact OD1-CG 3.23Å; N83-E128 PolarHBondContact OD1-OE2 2.84Å; I111-E128 WeakPolarHBondContact CA-O 3.42Å; H112-E128 PolarHBondContact N-O 2.85Å; H112-E128 PolarHBondContact O-N 2.89Å
129	I	98.4	Very high	97.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	115.1	174.3	-48.5	-177.2	0	0	0	108.6	K81 L82 N110 I111 I127 A132 D136 Y140	K81-I129 WeakPolarHBondContact CA-O 3.19Å; L82-I129 HydrophobicContact CB-CB 4.16Å; L82-I129 HydrophobicContact CB-CG1 4.46Å; L82-I129 HydrophobicContact CD1-CD1 4.42Å; L82-I129 PolarHBondContact N-O 2.91Å; L82-I129 PolarHBondContact O-N 2.68Å; N110-I129 WeakPolarHBondContact ND2-CG2 3.43Å; N110-I129 CarbonylContact O-C 3.51Å; N110-I129 VanDerWaalsContact O-CA 3.23Å; N110-I129 WeakPolarHBondContact O-CA 3.49Å; I111-I129 HydrophobicContact CG1-CG1 4.22Å; I111-I129 HydrophobicContact CG1-CG2 4.36Å; I127-I129 HydrophobicContact CG2-CD1 4.42Å; I127-I129 HydrophobicContact CG2-CG1 3.87Å; I129-A132 HydrophobicContact CG2-CB 4.47Å; I129-D136 HydrophobicContact CD1-CB 3.98Å; I129-D136 HydrophobicContact CG2-CB 4.17Å; I129-Y140 HydrophobicContact CD1-CE1 4.24Å; I129-Y140 WeakPolarHBondContact CD1-OH 3.2Å
130	D	97.9	Very high	97.8	Very high	50 Å²	50	40.5 Å²	40.5	27%	0.267	22%	0.224	S	C	.	.	S	Bend	trans	-153.2	117.1	-177.7	-174.7	20.9	0	0	0	110.8	K81 N110	K81-D130 HydrophobicContact CD-CB 4.19Å; K81-D130 WeakPolarHBondContact CD-OD2 3.36Å; K81-D130 WeakPolarHBondContact CE-OD2 3.25Å; K81-D130 HydrophobicContact CG-CB 4.09Å; K81-D130 IonicContact NZ-OD2 2.65Å; K81-D130 PolarHBondContact NZ-OD2 3.16Å; N110-D130 PolarHBondContact O-N 3.1Å
131	P	98.2	Very high	98	Very high	71 Å²	71	35.1 Å²	35.1	46%	0.461	20%	0.196	S	C	.	.	S	Bend	cis	-74.4	145.9	-7.7	29.7	-33.4	0	0	0	112.3	N110	N110-P131 PolarHBondContact ND2-O 2.82Å
132	A	98.1	Very high	98.1	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.008	18%	0.18	C	C	.	.			trans	-71.4	132.8	171.3	0	0	0	0	0	111.4	C76 G79 G80 L82 I129 V159	C76-A132 WeakPolarHBondContact SG-CB 3.48Å; G79-A132 PolarHBondContact N-O 2.98Å; G80-A132 WeakPolarHBondContact O-CB 3.28Å; G80-A132 PolarHBondContact O-N 3.29Å; L82-A132 HydrophobicContact CD1-CB 4.28Å; L82-A132 HydrophobicContact CG-CB 4.29Å; I129-A132 HydrophobicContact CG2-CB 4.47Å; A132-V159 HydrophobicContact CB-CG2 4.43Å
133	T	97.8	Very high	98.1	Very high	59 Å²	59	29.9 Å²	29.9	36%	0.362	17%	0.172	S	C	.	.			trans	-112.5	163.7	176.9	73.5	0	0	0	0	110.8	G135 D136	T133-G135 PolarHBondContact O-N 2.85Å; T133-G135 VanDerWaalsContact O-N 3.13Å; T133-G135 PolarHBondContact OG1-N 2.72Å; T133-D136 WeakPolarHBondContact CA-OD2 3.34Å; T133-D136 WeakPolarHBondContact CB-OD2 3.41Å; T133-D136 PolarHBondContact N-OD2 2.83Å; T133-D136 WeakPolarHBondContact O-CB 3.38Å; T133-D136 PolarHBondContact O-N 3.12Å; T133-D136 PolarHBondContact OG1-OD2 2.72Å
134	L	97.3	Very high	98.1	Very high	66 Å²	66	29.5 Å²	29.5	35%	0.346	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-58.6	-26.4	174.8	-65.1	175.8	0	0	0	113.1	L78 D136 Q137 V159 Y161	L78-L134 HydrophobicContact CD1-CD2 4.37Å; L78-L134 HydrophobicContact CD1-CG 4.07Å; L134-D136 VanDerWaalsContact C-N 3.28Å; L134-D136 PolarHBondContact O-N 3.1Å; L134-Q137 WeakPolarHBondContact O-CB 3.46Å; L134-Q137 WeakPolarHBondContact O-CG 3.43Å; L134-Q137 PolarHBondContact O-N 2.74Å; L134-Q137 PolarHBondContact O-NE2 3.39Å; L134-Q137 VanDerWaalsContact O-NE2 3.12Å; L134-V159 HydrophobicContact CD2-CG1 4.31Å; L134-Y161 WeakPolarHBondContact CD1-OH 3.42Å
135	G	96.9	Very high	98.1	Very high	46 Å²	46	33.3 Å²	33.3	47%	0.474	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-76.4	-12.7	177.9	0	0	0	0	0	114.2	K100 T133 Q137	K100-G135 WeakPolarHBondContact CE-O 3.29Å; K100-G135 PolarHBondContact NZ-O 2.83Å; T133-G135 PolarHBondContact O-N 2.85Å; T133-G135 VanDerWaalsContact O-N 3.13Å; T133-G135 PolarHBondContact OG1-N 2.72Å; G135-Q137 VanDerWaalsContact C-N 3.27Å
136	D	97.2	Very high	98	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.011	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-82	-9.6	175.9	-59.6	-51	0	0	0	112.1	N110 I129 T133 L134 Y140 S157	N110-D136 PolarHBondContact ND2-OD1 2.89Å; N110-D136 PolarHBondContact ND2-OD2 2.83Å; I129-D136 HydrophobicContact CD1-CB 3.98Å; I129-D136 HydrophobicContact CG2-CB 4.17Å; T133-D136 WeakPolarHBondContact CA-OD2 3.34Å; T133-D136 WeakPolarHBondContact CB-OD2 3.41Å; T133-D136 PolarHBondContact N-OD2 2.83Å; T133-D136 WeakPolarHBondContact O-CB 3.38Å; T133-D136 PolarHBondContact O-N 3.12Å; T133-D136 PolarHBondContact OG1-OD2 2.72Å; L134-D136 VanDerWaalsContact C-N 3.28Å; L134-D136 PolarHBondContact O-N 3.1Å; D136-Y140 VanDerWaalsContact O-CE2 3.24Å; D136-Y140 WeakPolarHBondContact O-CE2 3.34Å; D136-Y140 PolarHBondContact O-OH 2.78Å; D136-S157 PolarHBondContact O-OG 2.95Å; D136-S157 VanDerWaalsContact O-OG 3.1Å
137	Q	97.6	Very high	97.9	Very high	76 Å²	76	37.7 Å²	37.7	36%	0.355	21%	0.211	S	C	.	.			trans	-61.9	147	168.5	-64.2	-175.3	107	0	0	111.6	K100 L134 G135 S157 V159	K100-Q137 WeakPolarHBondContact CE-O 3.38Å; K100-Q137 PolarHBondContact NZ-O 2.79Å; L134-Q137 WeakPolarHBondContact O-CB 3.46Å; L134-Q137 WeakPolarHBondContact O-CG 3.43Å; L134-Q137 PolarHBondContact O-N 2.74Å; L134-Q137 PolarHBondContact O-NE2 3.39Å; L134-Q137 VanDerWaalsContact O-NE2 3.12Å; G135-Q137 VanDerWaalsContact C-N 3.27Å; Q137-S157 WeakPolarHBondContact CA-OG 3.46Å; Q137-V159 HydrophobicContact CG-CB 3.59Å; Q137-V159 HydrophobicContact CG-CG2 3.65Å; Q137-V159 VanDerWaalsContact CG-N 3.33Å; Q137-V159 PolarHBondContact OE1-O 2.87Å; Q137-V159 VanDerWaalsContact OE1-O 3.12Å
138	G	97.9	Very high	97.8	Very high	7 Å²	7	42.3 Å²	42.3	7%	0.072	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	147.5	-171.3	-177.3	0	0	0	0	0	112.4	D101 S157	D101-G138 VanDerWaalsContact OD1-CA 3.23Å; D101-G138 WeakPolarHBondContact OD1-CA 3.32Å; G138-S157 PolarHBondContact N-O 3.47Å; G138-S157 PolarHBondContact N-OG 2.72Å; G138-S157 PolarHBondContact O-N 3.12Å; G138-S157 PolarHBondContact O-OG 3.12Å
139	T	98.5	Very high	97.8	Very high	52 Å²	52	42.7 Å²	42.7	32%	0.319	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	115.6	172.6	-58.9	0	0	0	0	108.9	K100 D101 N154 F155	K100-T139 WeakPolarHBondContact CA-O 3.48Å; D101-T139 PolarHBondContact N-O 3.5Å; D101-T139 PolarHBondContact OD1-N 2.75Å; T139-N154 HydrophobicContact CG2-CB 4.11Å; T139-F155 CarbonylContact C-O 3.6Å; T139-F155 WeakPolarHBondContact CA-O 3.23Å
140	Y	98.5	Very high	97.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	143.4	169.6	-68.4	-99.3	0	0	0	109.5	I84 Y99 K100 L105 I127 I129 D136 N154 F155 S157	I84-Y140 HydrophobicContact CD1-CD1 4.23Å; I84-Y140 HydrophobicContact CD1-CD2 3.64Å; I84-Y140 HydrophobicContact CD1-CE2 4.24Å; I84-Y140 HydrophobicContact CD1-CG 3.65Å; Y99-Y140 CarbonylContact O-C 3.53Å; Y99-Y140 VanDerWaalsContact O-CA 3.25Å; Y99-Y140 WeakPolarHBondContact O-CA 3.4Å; K100-Y140 HydrophobicContact CB-CD1 4.3Å; K100-Y140 HydrophobicContact CB-CE1 4.17Å; K100-Y140 HydrophobicContact CD-CE1 4.04Å; K100-Y140 HydrophobicContact CD-CE2 4.45Å; K100-Y140 WeakPolarHBondContact CE-OH 3.37Å; K100-Y140 HydrophobicContact CG-CE1 4.15Å; K100-Y140 HydrophobicContact CG-CE2 4.46Å; L105-Y140 HydrophobicContact CD1-CD1 4.35Å; L105-Y140 HydrophobicContact CD1-CE1 3.78Å; I127-Y140 HydrophobicContact CD1-CD1 3.93Å; I127-Y140 HydrophobicContact CD1-CE1 4.45Å; I129-Y140 HydrophobicContact CD1-CE1 4.24Å; I129-Y140 WeakPolarHBondContact CD1-OH 3.2Å; D136-Y140 VanDerWaalsContact O-CE2 3.24Å; D136-Y140 WeakPolarHBondContact O-CE2 3.34Å; D136-Y140 PolarHBondContact O-OH 2.78Å; Y140-N154 CarbonylContact O-C 3.36Å; Y140-N154 WeakPolarHBondContact O-CA 3.46Å; Y140-F155 PolarHBondContact N-O 3.35Å; Y140-F155 PolarHBondContact O-N 3.01Å; Y140-S157 VanDerWaalsContact CE2-OG 3.24Å; Y140-S157 WeakPolarHBondContact CE2-OG 3.43Å
141	T	98.7	Very high	97.7	Very high	21 Å²	21	45.2 Å²	45.2	13%	0.129	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	123.8	179.6	-55.8	0	0	0	0	108.7	W98 Y99 V143 V152 K153 N154	W98-T141 CarbonylContact C-O 3.55Å; W98-T141 WeakPolarHBondContact CA-O 3.37Å; Y99-T141 PolarHBondContact N-O 2.86Å; Y99-T141 PolarHBondContact O-N 2.83Å; T141-V143 HydrophobicContact CG2-CG2 4.27Å; T141-V152 HydrophobicContact CG2-CG1 3.24Å; T141-K153 CarbonylContact C-O 3.48Å; T141-K153 VanDerWaalsContact CA-O 3.29Å; T141-K153 WeakPolarHBondContact CA-O 3.24Å; T141-N154 WeakPolarHBondContact CB-OD1 3.34Å; T141-N154 VanDerWaalsContact CG2-OD1 3.28Å; T141-N154 WeakPolarHBondContact CG2-OD1 3.13Å; T141-N154 PolarHBondContact OG1-OD1 3.13Å
142	C	98.6	Very high	97.8	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	134.2	162.9	67.1	0	0	0	0	109.4	C86 I96 T97 W98 V152 K153 F155	C86-C142 HydrophobicContact CB-CB 3.54Å; C86-C142 WeakPolarHBondContact CB-SG 3.21Å; C86-C142 WeakPolarHBondContact SG-CB 3.24Å; C86-C142 CovalentContact SG-SG 2.06Å; C86-C142 PolarHBondContact SG-SG 2.82Å; I96-C142 HydrophobicContact CG2-CB 3.95Å; T97-C142 WeakPolarHBondContact O-CA 3.45Å; W98-C142 HydrophobicContact CD2-CB 4.04Å; W98-C142 HydrophobicContact CE3-CB 3.79Å; W98-C142 HydrophobicContact CH2-CB 3.74Å; W98-C142 HydrophobicContact CZ2-CB 3.98Å; W98-C142 HydrophobicContact CZ3-CB 3.64Å; C142-V152 WeakPolarHBondContact O-CA 3.36Å; C142-K153 PolarHBondContact N-O 3.19Å; C142-K153 PolarHBondContact O-N 2.88Å; C142-F155 HydrophobicContact CB-CE2 4.28Å
143	V	98.7	Very high	97.8	Very high	30 Å²	30	50.3 Å²	50.3	18%	0.182	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	112.7	169.7	-177.2	0	0	0	0	106.8	I96 T97 Y99 T141 V152	I96-V143 WeakPolarHBondContact CA-O 3.42Å; T97-V143 PolarHBondContact N-O 2.84Å; T97-V143 PolarHBondContact O-N 3.4Å; Y99-V143 HydrophobicContact CD2-CG2 3.8Å; Y99-V143 HydrophobicContact CE2-CB 4.18Å; Y99-V143 HydrophobicContact CE2-CG2 3.56Å; T141-V143 HydrophobicContact CG2-CG2 4.27Å; V143-V152 HydrophobicContact CG1-CG2 4.41Å; V143-V152 HydrophobicContact CG2-CG2 4.2Å
144	A	98.7	Very high	97.8	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	122.3	171.1	0	0	0	0	0	108.8	V64 I66 A88 P94 T95 I96 S150 V151	V64-A144 HydrophobicContact CG1-CB 3.77Å; I66-A144 HydrophobicContact CG1-CB 4.29Å; A88-A144 HydrophobicContact CB-CB 3.4Å; A88-A144 VanDerWaalsContact CB-CB 3.4Å; P94-A144 HydrophobicContact CB-CB 4.26Å; T95-A144 CarbonylContact O-C 3.08Å; T95-A144 VanDerWaalsContact O-CA 3.28Å; T95-A144 WeakPolarHBondContact O-CA 3.2Å; I96-A144 HydrophobicContact CG1-CB 4.2Å; A144-S150 CarbonylContact O-C 3.54Å; A144-S150 WeakPolarHBondContact O-CA 3.42Å; A144-V151 HydrophobicContact CB-CG2 4.06Å; A144-V151 PolarHBondContact N-O 2.85Å; A144-V151 PolarHBondContact O-N 3.4Å
145	H	98.3	Very high	97.9	Very high	87 Å²	87	48.5 Å²	48.5	40%	0.403	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	135.2	-168.8	173.8	67.6	0	0	0	112.1	P94 T95 S150	P94-H145 CarbonylContact C-O 3.54Å; P94-H145 VanDerWaalsContact CA-O 3.26Å; P94-H145 WeakPolarHBondContact CA-O 3.49Å; T95-H145 PolarHBondContact N-O 2.79Å; T95-H145 PolarHBondContact O-N 2.83Å; T95-H145 PolarHBondContact OG1-O 2.83Å; H145-S150 PolarHBondContact ND1-OG 2.7Å
146	N	96.9	Very high	97.9	Very high	7 Å²	7	50.7 Å²	50.7	4%	0.037	27%	0.266	C	S	.	.			trans	-132.6	-178.9	160.2	73.6	7.1	0	0	0	109.4	V64 P92 N148 D149	V64-N146 HydrophobicContact CG2-CB 3.94Å; V64-N146 WeakPolarHBondContact CG2-ND2 3.4Å; V64-N146 WeakPolarHBondContact CG2-OD1 3.34Å; P92-N146 WeakPolarHBondContact O-CB 3.48Å; P92-N146 PolarHBondContact O-ND2 3.16Å; N146-N148 PolarHBondContact O-N 2.9Å; N146-N148 VanDerWaalsContact O-N 3.09Å; N146-N148 WeakPolarHBondContact OD1-CA 3.39Å; N146-N148 WeakPolarHBondContact OD1-CB 3.36Å; N146-N148 PolarHBondContact OD1-N 2.81Å; N146-D149 PolarHBondContact N-O 3.01Å; N146-D149 PolarHBondContact O-N 3.03Å; N146-D149 VanDerWaalsContact O-O 3.09Å; N146-D149 PolarHBondContact OD1-N 3.22Å; N146-D149 PolarHBondContact OD1-O 3.01Å
147	E	96.5	Very high	98	Very high	156 Å²	156	50.6 Å²	50.6	73%	0.729	27%	0.266	S	S	*	.	S	Bend	trans	-62	-17.2	-179.3	63.3	-174.2	176	0	0	114.9	P92	P92-E147 HydrophobicContact CG-CG 4.14Å; P92-E147 VanDerWaalsContact CG-OE1 3.29Å; P92-E147 WeakPolarHBondContact CG-OE1 3.31Å
148	N	94.9	Very high	98	Very high	97 Å²	97	51.2 Å²	51.2	52%	0.519	27%	0.269	S	S	.	.	S	Bend	trans	-98.2	-32.6	-176.3	-65.2	-32.6	0	0	0	112.9	Q91 N146	Q91-N148 PolarHBondContact O-ND2 2.74Å; N146-N148 PolarHBondContact O-N 2.9Å; N146-N148 VanDerWaalsContact O-N 3.09Å; N146-N148 WeakPolarHBondContact OD1-CA 3.39Å; N146-N148 WeakPolarHBondContact OD1-CB 3.36Å; N146-N148 PolarHBondContact OD1-N 2.81Å
149	D	97.2	Very high	98	Very high	69 Å²	69	51.2 Å²	51.2	37%	0.369	27%	0.268	S	S	.	.			trans	-159	162.8	-170.5	-162	10.1	0	0	0	113.2	V64 N146	V64-D149 HydrophobicContact CB-CB 4.23Å; V64-D149 HydrophobicContact CG2-CB 4.06Å; V64-D149 WeakPolarHBondContact CG2-O 3.23Å; N146-D149 PolarHBondContact N-O 3.01Å; N146-D149 PolarHBondContact O-N 3.03Å; N146-D149 VanDerWaalsContact O-O 3.09Å; N146-D149 PolarHBondContact OD1-N 3.22Å; N146-D149 PolarHBondContact OD1-O 3.01Å
150	S	98	Very high	97.9	Very high	60 Å²	60	55.3 Å²	55.3	42%	0.42	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	128.2	174.7	-48.6	0	0	0	0	111.2	A144 H145	A144-S150 CarbonylContact O-C 3.54Å; A144-S150 WeakPolarHBondContact O-CA 3.42Å; H145-S150 PolarHBondContact ND1-OG 2.7Å
151	V	98.3	Very high	97.8	Very high	42 Å²	42	64.2 Å²	64.2	26%	0.255	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	143.6	176.8	-75.9	0	0	0	0	111.3	V64 I66 A144	V64-V151 HydrophobicContact CB-CG2 4Å; V64-V151 HydrophobicContact CG1-CG2 3.52Å; V64-V151 WeakPolarHBondContact O-CG1 3.34Å; I66-V151 HydrophobicContact CD1-CG2 4.26Å; I66-V151 HydrophobicContact CG1-CG2 3.9Å; A144-V151 HydrophobicContact CB-CG2 4.06Å; A144-V151 PolarHBondContact N-O 2.85Å; A144-V151 PolarHBondContact O-N 3.4Å
152	V	98.5	Very high	97.7	Very high	87 Å²	87	66.4 Å²	66.4	53%	0.527	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	138.6	-170.1	-176.5	0	0	0	0	110.5	T141 C142 V143	T141-V152 HydrophobicContact CG2-CG1 3.24Å; C142-V152 WeakPolarHBondContact O-CA 3.36Å; V143-V152 HydrophobicContact CG1-CG2 4.41Å; V143-V152 HydrophobicContact CG2-CG2 4.2Å
153	K	98.5	Very high	97.7	Very high	93 Å²	93	69.8 Å²	69.8	40%	0.404	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	132.2	170.1	-170.1	71.4	173.9	-172.8	0	111.3	I66 T141 C142 F155	I66-K153 HydrophobicContact CD1-CB 3.64Å; T141-K153 CarbonylContact C-O 3.48Å; T141-K153 VanDerWaalsContact CA-O 3.29Å; T141-K153 WeakPolarHBondContact CA-O 3.24Å; C142-K153 PolarHBondContact N-O 3.19Å; C142-K153 PolarHBondContact O-N 2.88Å; K153-F155 HydrophobicContact CB-CE2 4.1Å; K153-F155 HydrophobicContact CB-CZ 3.99Å; K153-F155 HydrophobicContact CG-CE1 3.96Å; K153-F155 HydrophobicContact CG-CE2 4Å; K153-F155 HydrophobicContact CG-CZ 3.53Å; K153-F155 WeakPolarHBondContact O-CE2 3.24Å
154	N	98.5	Very high	97.6	Very high	87 Å²	87	72.1 Å²	72.1	47%	0.465	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	146.3	178.9	-62.4	-53.8	0	0	0	111.6	T139 Y140 T141	T139-N154 HydrophobicContact CG2-CB 4.11Å; Y140-N154 CarbonylContact O-C 3.36Å; Y140-N154 WeakPolarHBondContact O-CA 3.46Å; T141-N154 WeakPolarHBondContact CB-OD1 3.34Å; T141-N154 VanDerWaalsContact CG2-OD1 3.28Å; T141-N154 WeakPolarHBondContact CG2-OD1 3.13Å; T141-N154 PolarHBondContact OG1-OD1 3.13Å
155	F	98.5	Very high	97.5	Very high	0 Å²	0	76.3 Å²	76.3	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	120.1	178.5	-47.5	-91.4	0	0	0	109	A69 S70 F72 I84 W98 T139 Y140 C142 K153	A69-F155 HydrophobicContact CB-CE1 3.93Å; A69-F155 HydrophobicContact CB-CZ 3.93Å; S70-F155 WeakPolarHBondContact O-CE1 3.29Å; F72-F155 CarbonylContact O-C 3.51Å; F72-F155 WeakPolarHBondContact O-CA 3.31Å; I84-F155 HydrophobicContact CG2-CB 4.01Å; I84-F155 HydrophobicContact CG2-CD1 3.84Å; I84-F155 HydrophobicContact CG2-CD2 3.73Å; I84-F155 HydrophobicContact CG2-CE1 4.21Å; I84-F155 HydrophobicContact CG2-CE2 4.12Å; I84-F155 HydrophobicContact CG2-CG 3.57Å; I84-F155 HydrophobicContact CG2-CZ 4.34Å; W98-F155 HydrophobicContact CH2-CD2 4.31Å; W98-F155 AromaticContact CH2-CE2 3.81Å; W98-F155 HydrophobicContact CH2-CE2 3.81Å; W98-F155 HydrophobicContact CH2-CZ 4.37Å; W98-F155 AromaticContact CZ3-CD2 3.78Å; W98-F155 HydrophobicContact CZ3-CD2 3.78Å; W98-F155 AromaticContact CZ3-CE2 3.6Å; W98-F155 HydrophobicContact CZ3-CE2 3.6Å; T139-F155 CarbonylContact C-O 3.6Å; T139-F155 WeakPolarHBondContact CA-O 3.23Å; Y140-F155 PolarHBondContact N-O 3.35Å; Y140-F155 PolarHBondContact O-N 3.01Å; C142-F155 HydrophobicContact CB-CE2 4.28Å; K153-F155 HydrophobicContact CB-CE2 4.1Å; K153-F155 HydrophobicContact CB-CZ 3.99Å; K153-F155 HydrophobicContact CG-CE1 3.96Å; K153-F155 HydrophobicContact CG-CE2 4Å; K153-F155 HydrophobicContact CG-CZ 3.53Å; K153-F155 WeakPolarHBondContact O-CE2 3.24Å
156	K	98.4	Very high	97.5	Very high	91 Å²	91	75.6 Å²	75.6	40%	0.396	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	130.4	170.9	-175.5	63.2	177.8	178.3	0	109.2	F72 S73 Q74 E158	F72-K156 PolarHBondContact O-N 2.83Å; S73-K156 CarbonylContact C-O 3.59Å; S73-K156 WeakPolarHBondContact CA-O 3.36Å; Q74-K156 PolarHBondContact N-O 3.18Å; K156-E158 HydrophobicContact CG-CG 4.26Å
157	S	98.2	Very high	97.5	Very high	1 Å²	1	80.2 Å²	80.2	1%	0.007	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	136.7	171.6	63.4	0	0	0	0	110.8	Q74 D136 Q137 G138 Y140	Q74-S157 CarbonylContact O-C 3.56Å; Q74-S157 VanDerWaalsContact O-CA 3.24Å; Q74-S157 WeakPolarHBondContact O-CA 3.39Å; D136-S157 PolarHBondContact O-OG 2.95Å; D136-S157 VanDerWaalsContact O-OG 3.1Å; Q137-S157 WeakPolarHBondContact CA-OG 3.46Å; G138-S157 PolarHBondContact N-O 3.47Å; G138-S157 PolarHBondContact N-OG 2.72Å; G138-S157 PolarHBondContact O-N 3.12Å; G138-S157 PolarHBondContact O-OG 3.12Å; Y140-S157 VanDerWaalsContact CE2-OG 3.24Å; Y140-S157 WeakPolarHBondContact CE2-OG 3.43Å
158	E	98.1	Very high	97.6	Very high	89 Å²	89	74.8 Å²	74.8	42%	0.416	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	132.8	179.3	-64.6	179.5	170.9	0	0	109.9	Q74 S75 C76 K156	Q74-E158 PolarHBondContact O-N 2.91Å; S75-E158 CarbonylContact C-O 3.53Å; S75-E158 VanDerWaalsContact CA-O 3.23Å; S75-E158 WeakPolarHBondContact CA-O 3.07Å; C76-E158 PolarHBondContact N-O 2.86Å; K156-E158 HydrophobicContact CG-CG 4.26Å
159	V	98	Very high	97.8	Very high	7 Å²	7	73.1 Å²	73.1	4%	0.042	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	118.9	-178.2	-177.3	0	0	0	0	107.9	C76 L78 L82 A132 L134 Q137	C76-V159 VanDerWaalsContact O-CA 3.31Å; C76-V159 WeakPolarHBondContact O-CA 3.18Å; L78-V159 HydrophobicContact CB-CG1 4.24Å; L78-V159 HydrophobicContact CD1-CG1 4.23Å; L82-V159 HydrophobicContact CD1-CG2 4.06Å; A132-V159 HydrophobicContact CB-CG2 4.43Å; L134-V159 HydrophobicContact CD2-CG1 4.31Å; Q137-V159 HydrophobicContact CG-CB 3.59Å; Q137-V159 HydrophobicContact CG-CG2 3.65Å; Q137-V159 VanDerWaalsContact CG-N 3.33Å; Q137-V159 PolarHBondContact OE1-O 2.87Å; Q137-V159 VanDerWaalsContact OE1-O 3.12Å
160	Y	96.5	Very high	97.9	Very high	138 Å²	138	73.4 Å²	73.4	54%	0.541	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	163.6	-175.9	64.9	-92.1	0	0	0	111.7	C76 R77 L78	C76-Y160 WeakPolarHBondContact O-CD1 3.4Å; C76-Y160 WeakPolarHBondContact O-CE1 3.11Å; C76-Y160 PolarHBondContact O-N 2.81Å; R77-Y160 CarbonylContact C-O 3.59Å; R77-Y160 VanDerWaalsContact CA-O 3.26Å; R77-Y160 WeakPolarHBondContact CA-O 3.26Å; R77-Y160 HydrophobicContact CB-CE2 4.09Å; R77-Y160 HydrophobicContact CG-CE2 4.3Å; L78-Y160 PolarHBondContact N-O 3.15Å
161	Y	95.1	Very high	97.9	Very high	186 Å²	186	74.6 Å²	74.6	73%	0.729	34%	0.344	S	S	*	.			trans	-76.1	0	-175.3	-71.6	-84.4	0	0	0	115.1	R77 L78 L134	R77-Y161 PolarHBondContact NE-OXT 2.85Å; R77-Y161 PolarHBondContact NH2-OXT 3.33Å; L78-Y161 HydrophobicContact CD2-CD1 4.16Å; L78-Y161 HydrophobicContact CD2-CE1 4.14Å; L134-Y161 WeakPolarHBondContact CD1-OH 3.42Å

Retrieved 161 of 161 residues in 124.6 ms (Link to these results)

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