A0A087XRY5_POEFO Loading...

Decorin

May affect the rate of fibrils formation.

AlphaFold DB , UniProt , Accession A0A087XRY5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 361 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.3	Very low	38.7	Very low	237 Å²	237	150.5 Å²	150.5	100%	1.167	83%	0.827	S	S	*	*				0	96	0	-67.5	162.8	82	0	0	106.3
2	R	33.4	Very low	39	Very low	232 Å²	232	150.2 Å²	150.2	88%	0.875	83%	0.833	S	S	*	*				59	98.7	101.5	-78.1	-168.1	179.7	-173	0.6	112.1
3	T	37.7	Very low	39.4	Very low	133 Å²	133	144.3 Å²	144.3	82%	0.816	82%	0.816	S	S	*	*				76	146.4	105.4	53.7	0	0	0	0	113.3
4	A	41.6	Very low	39	Very low	85 Å²	85	143.8 Å²	143.8	70%	0.702	82%	0.824	S	S	*	*			cis	170.8	148.2	-13.1	0	0	0	0	0	104.7
5	C	38.8	Very low	39.5	Very low	122 Å²	122	150.7 Å²	150.7	82%	0.824	83%	0.831	S	S	*	*			trans	163	108.2	141.1	-96.2	0	0	0	0	109.6
6	L	42.3	Very low	39.6	Very low	153 Å²	153	147.8 Å²	147.8	80%	0.801	83%	0.834	S	S	*	*				87	125.4	67.9	-108.6	127.8	0	0	0	115.2
7	S	38	Very low	40	Very low	107 Å²	107	148.9 Å²	148.9	75%	0.748	84%	0.836	S	S	*	*			trans	127	131.8	149	63.4	0	0	0	0	113.1
8	L	35.5	Very low	40.3	Very low	161 Å²	161	147.2 Å²	147.2	84%	0.843	83%	0.832	S	S	*	*			cis	-159	159.8	-0.2	-146.3	85.1	0	0	0	110.2
9	L	41.2	Very low	40.4	Very low	139 Å²	139	150 Å²	150	73%	0.728	84%	0.835	S	S	*	*			trans	-64.6	157.1	-177.9	-76.7	136	0	0	0	116.7
10	L	36.5	Very low	40.4	Very low	174 Å²	174	153.8 Å²	153.8	91%	0.911	84%	0.835	S	S	*	*				-167	131.7	112.3	-99.6	157.4	0	0	0	112.4
11	V	42.7	Very low	40.6	Very low	112 Å²	112	155.2 Å²	155.2	68%	0.679	84%	0.836	S	S	*	*			trans	-121.5	144.1	-176.7	167.8	0	0	0	0	107.5
12	T	42.1	Very low	41	Very low	147 Å²	147	150.3 Å²	150.3	90%	0.902	82%	0.82	S	S	*	*			trans	-156.2	130.6	134.3	44.3	0	0	0	0	111
13	A	44	Very low	41.4	Very low	74 Å²	74	142.4 Å²	142.4	61%	0.612	81%	0.811	S	S	*	*			trans	-89.6	159.9	175.5	0	0	0	0	0	111.7
14	C	34.4	Very low	42	Very low	137 Å²	137	145.1 Å²	145.1	93%	0.926	81%	0.812	S	S	*	*			trans	-149.3	137.5	148.1	-108	0	0	0	0	110.9
15	W	45.4	Very low	42.2	Very low	247 Å²	247	148.2 Å²	148.2	94%	0.936	82%	0.816	S	S	*	*			trans	-91.2	144.9	-171.6	-72.5	58.2	0	0	0	111.3
16	A	41.7	Very low	42.3	Very low	105 Å²	105	149.5 Å²	149.5	87%	0.868	81%	0.814	S	S	*	*			trans	-139.1	134.9	161.1	0	0	0	0	0	111.1
17	L	46.2	Very low	41.9	Very low	167 Å²	167	150.2 Å²	150.2	87%	0.874	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-73.5	167.9	-173.9	-81.7	162	0	0	0	113.5
18	P	45.6	Very low	42	Very low	118 Å²	118	152.6 Å²	152.6	77%	0.766	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-74.1	133.9	-167.3	29.2	-33.5	0	0	0	112.9
19	F	42	Very low	42.2	Very low	200 Å²	200	153.3 Å²	153.3	88%	0.877	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-74.3	125.6	177.7	-169.1	-101.4	0	0	0	111
20	R	41.6	Very low	42.3	Very low	226 Å²	226	155.5 Å²	155.5	85%	0.853	82%	0.82	S	S	*	*			trans	-112.7	125.5	179	-161.6	-178.6	178.5	-161.8	-1.1	107.8
21	Q	43.9	Very low	42.4	Very low	183 Å²	183	154.4 Å²	154.4	86%	0.855	82%	0.815	S	S	*	*			trans	-75	123.4	-175.8	-171.6	175.2	-7	0	0	111.4
22	T	46	Very low	42.1	Very low	134 Å²	134	157.2 Å²	157.2	82%	0.822	83%	0.826	S	S	*	*			trans	-114.9	140.4	167.5	48.9	0	0	0	0	109.9
23	G	41.8	Very low	42	Very low	67 Å²	67	155.3 Å²	155.3	69%	0.691	83%	0.826	S	S	*	*			trans	-78.6	151.4	-165.8	0	0	0	0	0	116.1
24	F	50.7	Low	41.7	Very low	189 Å²	189	155.2 Å²	155.2	83%	0.829	83%	0.832	S	S	*	*	S	Bend	trans	13.8	114.1	140.6	-153.3	-105.3	0	0	0	118.4
25	L	45.7	Very low	42	Very low	150 Å²	150	155.4 Å²	155.4	79%	0.785	84%	0.835	S	S	*	*			trans	70.5	65.4	165	-62.2	169.1	0	0	0	117.3
26	D	40.8	Very low	41.6	Very low	149 Å²	149	147 Å²	147	80%	0.797	83%	0.825	S	S	*	*			trans	-138.1	138	153.8	-151.5	-1.5	0	0	0	109.9
27	F	33.3	Very low	41.5	Very low	169 Å²	169	146.7 Å²	146.7	74%	0.741	82%	0.822	S	S	*	*	S	Bend	trans	78.3	85.1	175.8	-107.6	-104.9	0	0	0	118.8
28	M	40.3	Very low	41.1	Very low	157 Å²	157	146.3 Å²	146.3	77%	0.773	82%	0.821	S	S	*	*				169.7	105.4	95.9	-85.1	-170.6	169	0	0	110.4
29	M	40.6	Very low	40.9	Very low	176 Å²	176	146.1 Å²	146.1	87%	0.867	82%	0.82	S	S	*	*			trans	-95	120.5	152	-70.5	-167.2	-50.6	0	0	106.8
30	E	43.8	Very low	41	Very low	184 Å²	184	144 Å²	144	86%	0.86	82%	0.816	S	S	*	*			trans	-133.4	111.6	154	-92.3	176	168.3	0	0	106.5
31	D	37.6	Very low	40.9	Very low	152 Å²	152	144.4 Å²	144.4	81%	0.813	82%	0.817	S	S	*	*			trans	-73	130.3	174.5	-78.4	-42.4	0	0	0	109.4
32	D	37	Very low	40.9	Very low	170 Å²	170	141.3 Å²	141.3	91%	0.909	81%	0.811	S	S	*	*			trans	-140.9	126.6	155	-111.1	-22.9	0	0	0	110.6	G34	D32-G34 PolarHBondContact O-N 3.5Å
33	A	40.3	Very low	40.7	Very low	108 Å²	108	143.7 Å²	143.7	89%	0.893	81%	0.81	S	S	*	*			trans	-78.5	117.3	-174.7	0	0	0	0	0	111.2
34	G	37	Very low	40.8	Very low	72 Å²	72	146.3 Å²	146.3	74%	0.742	82%	0.815	S	S	*	*			trans	-137.6	112.6	174.8	0	0	0	0	0	111.9	D32 G36	D32-G34 PolarHBondContact O-N 3.5Å; G34-G36 PolarHBondContact O-N 3.48Å
35	S	41.1	Very low	40.5	Very low	141 Å²	141	141.5 Å²	141.5	99%	0.986	81%	0.81	S	S	*	*			trans	-61.5	123.3	170.4	173.9	0	0	0	0	111.1
36	G	37.1	Very low	40.6	Very low	70 Å²	70	138.6 Å²	138.6	72%	0.722	81%	0.808	S	S	*	*			trans	-170	122.9	174.7	0	0	0	0	0	111.5	G34	G34-G36 PolarHBondContact O-N 3.48Å
37	A	39.1	Very low	40.9	Very low	98 Å²	98	138.1 Å²	138.1	81%	0.81	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-49.6	145.2	-171.8	0	0	0	0	0	115.7	P39	A37-P39 WeakPolarHBondContact O-CD 3.35Å
38	D	38.8	Very low	41.7	Very low	160 Å²	160	136 Å²	136	86%	0.856	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-46.3	117.5	172	-78	-50.7	0	0	0	112.7
39	P	41.2	Very low	42.3	Very low	114 Å²	114	133.9 Å²	133.9	74%	0.74	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-80.5	119.7	154.4	26.8	-16.6	0	0	0	107.1	A37 R41	A37-P39 WeakPolarHBondContact O-CD 3.35Å; P39-R41 PolarHBondContact O-N 2.79Å
40	I	43	Very low	43	Very low	154 Å²	154	127.5 Å²	127.5	79%	0.79	78%	0.783	S	S	*	*			trans	-44.1	105.8	166.1	-64.4	168.5	0	0	0	107.7	T42	I40-T42 HydrophobicContact CG2-CG2 4.34Å; I40-T42 PolarHBondContact O-N 2.83Å
41	R	40.3	Very low	43.8	Very low	235 Å²	235	123 Å²	123	89%	0.887	77%	0.77	S	S	*	*			trans	-69.7	82.6	171.3	-168.7	175.2	-176.1	-179.2	2.1	106.7	P39 K43	P39-R41 PolarHBondContact O-N 2.79Å; R41-K43 VanDerWaalsContact C-N 3.34Å; R41-K43 PolarHBondContact O-N 2.92Å
42	T	43.6	Very low	45.6	Very low	118 Å²	118	122.3 Å²	122.3	72%	0.724	76%	0.76	S	S	*	*			trans	-54.3	107.1	159	41.9	0	0	0	0	105.9	I40	I40-T42 HydrophobicContact CG2-CG2 4.34Å; I40-T42 PolarHBondContact O-N 2.83Å
43	K	42.1	Very low	47.8	Very low	185 Å²	185	116.4 Å²	116.4	80%	0.804	73%	0.731	S	S	*	*			trans	-43.6	128.4	164.5	-75.1	176.2	175.7	175.6	0	106.3	R41 A45	R41-K43 VanDerWaalsContact C-N 3.34Å; R41-K43 PolarHBondContact O-N 2.92Å; K43-A45 PolarHBondContact O-N 3Å
44	P	42.9	Very low	50	Low	121 Å²	121	111.7 Å²	111.7	79%	0.786	69%	0.692	S	S	*	*			trans	-54.1	123	165.7	12.7	-12.7	0	0	0	105.5	A46	P44-A46 PolarHBondContact O-N 3.01Å; P44-A46 VanDerWaalsContact O-N 3.11Å
45	A	44.3	Very low	52.2	Low	88 Å²	88	116.5 Å²	116.5	73%	0.727	69%	0.692	S	S	*	*			trans	-45.2	124.8	173.1	0	0	0	0	0	106.5	K43 D47	K43-A45 PolarHBondContact O-N 3Å; A45-D47 PolarHBondContact O-N 3.11Å
46	A	48.8	Very low	54.3	Low	90 Å²	90	118.7 Å²	118.7	74%	0.744	68%	0.679	S	S	*	*			trans	-48.3	121.6	171.3	0	0	0	0	0	106.5	P44	P44-A46 PolarHBondContact O-N 3.01Å; P44-A46 VanDerWaalsContact O-N 3.11Å
47	D	46.8	Very low	56.9	Low	139 Å²	139	116.2 Å²	116.2	74%	0.743	65%	0.65	S	S	*	*			trans	-43.3	138.2	167.5	-70.4	-51.3	0	0	0	107.4	A45 V49	A45-D47 PolarHBondContact O-N 3.11Å; D47-V49 PolarHBondContact O-N 2.64Å
48	P	49.3	Very low	59.4	Low	123 Å²	123	118.4 Å²	118.4	80%	0.799	64%	0.644	S	S	*	*			trans	-52.9	118.3	176.8	22.7	-30	0	0	0	106	G50	P48-G50 PolarHBondContact O-N 2.87Å
49	V	54.5	Low	61.9	Low	113 Å²	113	113.1 Å²	113.1	69%	0.685	62%	0.619	S	S	*	*			trans	-64.9	83	176.1	179.4	0	0	0	0	105.4	D47 K52	D47-V49 PolarHBondContact O-N 2.64Å; V49-K52 HydrophobicContact CG1-CD 4.4Å; V49-K52 HydrophobicContact CG1-CG 4.26Å
50	G	54.8	Low	64.1	Low	42 Å²	42	114.2 Å²	114.2	43%	0.433	61%	0.614	S	S	.	*			trans	-57.5	156.7	169.3	0	0	0	0	0	108	P48 K52	P48-G50 PolarHBondContact O-N 2.87Å; G50-K52 PolarHBondContact O-N 3.23Å
51	P	60.3	Low	66.1	Low	89 Å²	89	113.6 Å²	113.6	58%	0.578	61%	0.611	S	S	*	*			trans	-54.9	111.7	-177	24.9	-33.7	0	0	0	108.6	C53 P79	P51-C53 PolarHBondContact O-N 3.3Å; P51-P79 HydrophobicContact CB-CB 3.67Å; P51-P79 HydrophobicContact CB-CG 3.93Å; P51-P79 HydrophobicContact CG-CB 4.1Å; P51-P79 HydrophobicContact CG-CG 4.44Å
52	K	74.5	Confident	68.4	Low	139 Å²	139	109.5 Å²	109.5	60%	0.604	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-65.1	123.1	-177.6	-71	-179.6	177.4	177.3	0	106.8	V49 G50	V49-K52 HydrophobicContact CG1-CD 4.4Å; V49-K52 HydrophobicContact CG1-CG 4.26Å; G50-K52 PolarHBondContact O-N 3.23Å
53	C	85.1	Confident	70.8	Confident	45 Å²	45	106.7 Å²	106.7	30%	0.304	58%	0.579	S	S	.	*	P	Polyproline II helix	trans	-69.2	143.3	170.2	-168.4	0	0	0	0	108.8	P51 C57 C59	P51-C53 PolarHBondContact O-N 3.3Å; C53-C57 PolarHBondContact SG-O 2.03Å; C53-C59 VanDerWaalsContact CA-SG 3.56Å; C53-C59 HydrophobicContact CB-CB 3.67Å; C53-C59 WeakPolarHBondContact CB-SG 3.46Å; C53-C59 WeakPolarHBondContact SG-CB 3.35Å; C53-C59 PolarHBondContact SG-N 3.32Å; C53-C59 CovalentContact SG-SG 2.03Å; C53-C59 PolarHBondContact SG-SG 3.25Å
54	P	85.6	Confident	73.3	Confident	9 Å²	9	98 Å²	98	6%	0.058	54%	0.541	C	S	.	.	P	Polyproline II helix	trans	-59.5	150.1	176.8	-18	27.3	0	0	0	111.8	R56 C57 P75 D77 I78	P54-R56 PolarHBondContact O-N 2.87Å; P54-C57 HydrophobicContact CB-CB 4.12Å; P54-C57 HydrophobicContact CG-CB 4.3Å; P54-C57 WeakPolarHBondContact O-CB 3.49Å; P54-C57 PolarHBondContact O-N 2.84Å; P54-P75 HydrophobicContact CB-CB 3.65Å; P54-P75 HydrophobicContact CB-CG 4.05Å; P54-P75 HydrophobicContact CG-CB 3.69Å; P54-P75 HydrophobicContact CG-CG 4.19Å; P54-D77 VanDerWaalsContact CD-O 3.23Å; P54-D77 WeakPolarHBondContact CD-O 3.38Å; P54-D77 VanDerWaalsContact CG-O 3.32Å; P54-D77 WeakPolarHBondContact CG-O 3.4Å; P54-I78 HydrophobicContact CG-CG1 4.37Å
55	F	82.2	Confident	75.8	Confident	173 Å²	173	95.4 Å²	95.4	76%	0.759	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	126.3	-177.7	-175.4	-106.7	0	0	0	111.3	C57	F55-C57 PolarHBondContact O-N 3.44Å
56	R	86.5	Confident	78.1	Confident	188 Å²	188	91.2 Å²	91.2	71%	0.709	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	-1.8	-174.9	-60.4	175.5	165	-164.7	-5.6	116.6	P54 L69	P54-R56 PolarHBondContact O-N 2.87Å; R56-L69 HydrophobicContact CB-CD1 4.06Å; R56-L69 HydrophobicContact CB-CD2 3.74Å
57	C	90.9	Very high	80.3	Confident	17 Å²	17	87.9 Å²	87.9	12%	0.115	46%	0.455	C	S	.	.			trans	-79.3	155	170.2	-62.4	0	0	0	0	111.3	C53 P54 F55 Q65 C66 L69	C53-C57 PolarHBondContact SG-O 2.03Å; P54-C57 HydrophobicContact CB-CB 4.12Å; P54-C57 HydrophobicContact CG-CB 4.3Å; P54-C57 WeakPolarHBondContact O-CB 3.49Å; P54-C57 PolarHBondContact O-N 2.84Å; F55-C57 PolarHBondContact O-N 3.44Å; C57-Q65 WeakPolarHBondContact CA-O 3.37Å; C57-Q65 WeakPolarHBondContact CB-O 3.02Å; C57-C66 HydrophobicContact CB-CB 4.15Å; C57-C66 WeakPolarHBondContact CB-SG 3.23Å; C57-C66 VanDerWaalsContact SG-CA 3.56Å; C57-C66 WeakPolarHBondContact SG-CB 3.01Å; C57-C66 CovalentContact SG-SG 2.02Å; C57-C66 PolarHBondContact SG-SG 2.9Å; C57-L69 HydrophobicContact CB-CD1 4.49Å; C57-L69 VanDerWaalsContact SG-CD1 3.53Å
58	Q	91.3	Very high	82.6	Confident	145 Å²	145	86.7 Å²	86.7	68%	0.678	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.5	116.7	173.7	-62.2	175.4	20.6	0	0	108.4	Q65	Q58-Q65 HydrophobicContact CB-CB 4.39Å; Q58-Q65 PolarHBondContact N-O 2.91Å; Q58-Q65 PolarHBondContact O-N 3.34Å
59	C	91.2	Very high	84.7	Confident	49 Å²	49	83.3 Å²	83.3	33%	0.331	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	114.2	177.2	-60.1	0	0	0	0	109.1	C53 V63 I64	C53-C59 VanDerWaalsContact CA-SG 3.56Å; C53-C59 HydrophobicContact CB-CB 3.67Å; C53-C59 WeakPolarHBondContact CB-SG 3.46Å; C53-C59 WeakPolarHBondContact SG-CB 3.35Å; C53-C59 PolarHBondContact SG-N 3.32Å; C53-C59 CovalentContact SG-SG 2.03Å; C53-C59 PolarHBondContact SG-SG 3.25Å; C59-V63 WeakPolarHBondContact CA-O 3.03Å; C59-I64 HydrophobicContact CB-CG1 4.4Å
60	H	88.3	Confident	86.6	Confident	136 Å²	136	79.4 Å²	79.4	63%	0.63	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.1	129.2	178.3	-171.8	71.4	0	0	0	110.2	R62 V63	H60-R62 VanDerWaalsContact C-N 3.32Å; H60-R62 PolarHBondContact O-N 2.86Å; H60-V63 PolarHBondContact N-O 2.02Å; H60-V63 WeakPolarHBondContact O-CB 2.99Å; H60-V63 PolarHBondContact O-N 3.28Å
61	L	84.9	Confident	88.4	Confident	142 Å²	142	79.2 Å²	79.2	74%	0.743	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.9	49.8	174.9	-62.5	174.1	0	0	0	113.9	V63	L61-V63 PolarHBondContact O-N 3.12Å
62	R	88.7	Confident	90	Very high	148 Å²	148	83 Å²	83	56%	0.558	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.1	13.7	179.7	-51.3	174.7	179.1	164.5	2.3	115.4	H60 D81 T83 L84	H60-R62 VanDerWaalsContact C-N 3.32Å; H60-R62 PolarHBondContact O-N 2.86Å; R62-D81 WeakPolarHBondContact CB-O 3.25Å; R62-D81 WeakPolarHBondContact CD-O 3.3Å; R62-D81 HydrophobicContact CG-CB 4.39Å; R62-D81 VanDerWaalsContact CG-O 3.3Å; R62-D81 WeakPolarHBondContact CG-O 3.22Å; R62-D81 WeakPolarHBondContact CG-OD2 3.18Å; R62-D81 IonicContact NE-OD2 3.35Å; R62-T83 HydrophobicContact CB-CG2 3.84Å; R62-T83 PolarHBondContact O-N 2.66Å; R62-T83 PolarHBondContact O-OG1 2.81Å; R62-L84 PolarHBondContact O-N 3.13Å
63	V	93.3	Very high	90.9	Very high	60 Å²	60	81.7 Å²	81.7	36%	0.364	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	122.8	170.1	-179.3	0	0	0	0	107.5	C59 H60 L61 L84	C59-V63 WeakPolarHBondContact CA-O 3.03Å; H60-V63 PolarHBondContact N-O 2.02Å; H60-V63 WeakPolarHBondContact O-CB 2.99Å; H60-V63 PolarHBondContact O-N 3.28Å; L61-V63 PolarHBondContact O-N 3.12Å; V63-L84 HydrophobicContact CG1-CB 4.31Å; V63-L84 HydrophobicContact CG1-CD2 3.99Å; V63-L84 HydrophobicContact CG2-CB 4.34Å
64	I	94.2	Very high	91.3	Very high	2 Å²	2	79.9 Å²	79.9	1%	0.01	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	114	174.6	-62.1	105.1	0	0	0	108.1	C59 C66 I78 P79 A82 L84 L85 D86	C59-I64 HydrophobicContact CB-CG1 4.4Å; I64-C66 VanDerWaalsContact CG2-SG 3.6Å; I64-I78 HydrophobicContact CD1-CG2 3.96Å; I64-I78 HydrophobicContact CG1-CG2 4.44Å; I64-P79 HydrophobicContact CD1-CG 4.39Å; I64-P79 HydrophobicContact CG1-CG 4.32Å; I64-A82 HydrophobicContact CD1-CB 3.16Å; I64-L84 PolarHBondContact N-O 2.84Å; I64-L85 HydrophobicContact CB-CD1 3.86Å; I64-L85 HydrophobicContact CG2-CD1 3.73Å; I64-D86 PolarHBondContact O-N 2.95Å
65	Q	95.3	Very high	91.5	Very high	67 Å²	67	80.4 Å²	80.4	31%	0.313	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	111.2	176.7	178.9	55.1	-66.6	0	0	109.9	C57 Q58 S67 D86	C57-Q65 WeakPolarHBondContact CA-O 3.37Å; C57-Q65 WeakPolarHBondContact CB-O 3.02Å; Q58-Q65 HydrophobicContact CB-CB 4.39Å; Q58-Q65 PolarHBondContact N-O 2.91Å; Q58-Q65 PolarHBondContact O-N 3.34Å; Q65-S67 PolarHBondContact NE2-OG 2.88Å; Q65-S67 VanDerWaalsContact OE1-CB 3.29Å; Q65-S67 PolarHBondContact OE1-OG 3.2Å; Q65-D86 PolarHBondContact NE2-OD2 3.47Å; Q65-D86 VanDerWaalsContact OE1-CB 3.26Å; Q65-D86 PolarHBondContact OE1-O 2.78Å; Q65-D86 PolarHBondContact OE1-OD2 3.09Å
66	C	94.5	Very high	91.6	Very high	0 Å²	0	76.9 Å²	76.9	0%	0	39%	0.392	C	S	.	.			trans	-123.9	24.8	-179.3	-69.5	0	0	0	0	112	C57 I64 L69 L71 D86 L87 N90	C57-C66 HydrophobicContact CB-CB 4.15Å; C57-C66 WeakPolarHBondContact CB-SG 3.23Å; C57-C66 VanDerWaalsContact SG-CA 3.56Å; C57-C66 WeakPolarHBondContact SG-CB 3.01Å; C57-C66 CovalentContact SG-SG 2.02Å; C57-C66 PolarHBondContact SG-SG 2.9Å; I64-C66 VanDerWaalsContact CG2-SG 3.6Å; C66-L69 HydrophobicContact CB-CD1 4.16Å; C66-L71 HydrophobicContact CB-CD1 4.03Å; C66-D86 CarbonylContact C-O 3.16Å; C66-D86 WeakPolarHBondContact CA-O 3.38Å; C66-D86 WeakPolarHBondContact CB-O 3.09Å; C66-D86 PolarHBondContact N-O 2.82Å; C66-L87 HydrophobicContact CB-CD2 3.5Å; C66-L87 HydrophobicContact CB-CG 4.4Å; C66-N90 PolarHBondContact O-ND2 2.97Å
67	S	94.9	Very high	91.5	Very high	20 Å²	20	72.8 Å²	72.8	14%	0.14	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	148.9	-179.9	-66.4	0	0	0	0	113.7	Q65 L69 D86 Q88	Q65-S67 PolarHBondContact NE2-OG 2.88Å; Q65-S67 VanDerWaalsContact OE1-CB 3.29Å; Q65-S67 PolarHBondContact OE1-OG 3.2Å; S67-L69 WeakPolarHBondContact O-CG 3.46Å; S67-L69 PolarHBondContact O-N 3.17Å; S67-L69 VanDerWaalsContact O-N 3.13Å; S67-D86 PolarHBondContact OG-OD1 3.44Å; S67-D86 PolarHBondContact OG-OD2 3.48Å; S67-Q88 VanDerWaalsContact CA-O 3.25Å; S67-Q88 WeakPolarHBondContact CA-O 3.32Å
68	D	95.1	Very high	91.4	Very high	113 Å²	113	72.7 Å²	72.7	60%	0.604	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	16.4	170.9	-52.6	-69.7	0	0	0	115.9	Q88 N89	D68-Q88 PolarHBondContact N-O 3.27Å; D68-Q88 VanDerWaalsContact N-O 3.12Å; D68-N89 WeakPolarHBondContact OD1-CB 3.48Å; D68-N89 PolarHBondContact OD1-ND2 3.18Å
69	L	93.3	Very high	91.2	Very high	53 Å²	53	66.2 Å²	66.2	28%	0.277	35%	0.353	S	S	.	.	S	Bend	trans	-87.7	-9.4	-176.2	-64.7	-178.6	0	0	0	113.7	R56 C57 C66 S67 L71 N90	R56-L69 HydrophobicContact CB-CD1 4.06Å; R56-L69 HydrophobicContact CB-CD2 3.74Å; C57-L69 HydrophobicContact CB-CD1 4.49Å; C57-L69 VanDerWaalsContact SG-CD1 3.53Å; C66-L69 HydrophobicContact CB-CD1 4.16Å; S67-L69 WeakPolarHBondContact O-CG 3.46Å; S67-L69 PolarHBondContact O-N 3.17Å; S67-L69 VanDerWaalsContact O-N 3.13Å; L69-L71 VanDerWaalsContact C-N 3.28Å; L69-L71 HydrophobicContact CB-CD1 4.32Å; L69-L71 HydrophobicContact CB-CD2 4.3Å; L69-L71 HydrophobicContact CB-CG 3.87Å; L69-L71 HydrophobicContact CD1-CD1 4.41Å; L69-L71 PolarHBondContact O-N 3.33Å; L69-N90 PolarHBondContact N-OD1 2.81Å
70	G	93.4	Very high	91	Very high	30 Å²	30	68.6 Å²	68.6	31%	0.309	36%	0.362	S	S	.	.			trans	67.2	27.1	-177.6	0	0	0	0	0	113.8	N90	G70-N90 PolarHBondContact N-OD1 2.95Å
71	L	93.4	Very high	91	Very high	39 Å²	39	65.9 Å²	65.9	20%	0.204	35%	0.352	C	S	.	.			trans	-59	134.3	178.9	-61.1	170.1	0	0	0	110.6	C66 L69 P75 L87 N90 K91 I92	C66-L71 HydrophobicContact CB-CD1 4.03Å; L69-L71 VanDerWaalsContact C-N 3.28Å; L69-L71 HydrophobicContact CB-CD1 4.32Å; L69-L71 HydrophobicContact CB-CD2 4.3Å; L69-L71 HydrophobicContact CB-CG 3.87Å; L69-L71 HydrophobicContact CD1-CD1 4.41Å; L69-L71 PolarHBondContact O-N 3.33Å; L71-P75 HydrophobicContact CD1-CG 3.81Å; L71-L87 HydrophobicContact CD1-CD2 3.79Å; L71-N90 HydrophobicContact CB-CB 4.15Å; L71-N90 WeakPolarHBondContact CB-OD1 3.3Å; L71-N90 WeakPolarHBondContact CG-OD1 3.47Å; L71-N90 PolarHBondContact N-OD1 3.47Å; L71-K91 CarbonylContact O-C 3.59Å; L71-K91 VanDerWaalsContact O-CA 3.24Å; L71-K91 WeakPolarHBondContact O-CA 3.24Å; L71-K91 PolarHBondContact O-N 2.68Å; L71-I92 PolarHBondContact O-N 3.47Å
72	K	93	Very high	91.3	Very high	168 Å²	168	59.1 Å²	59.1	73%	0.73	32%	0.317	S	S	*	.	S	Bend	trans	-88.4	-21.1	179.1	-65.2	-177.6	-179	177.7	0	113.2	I92	K72-I92 WeakPolarHBondContact O-CA 3.29Å
73	E	93.6	Very high	91.6	Very high	111 Å²	111	54.2 Å²	54.2	52%	0.519	30%	0.303	S	S	.	.	S	Bend	trans	-144.6	165.8	-179.9	62.5	-174.8	167.4	0	0	109.9	K96	E73-K96 IonicContact OE2-NZ 3.44Å; E73-K96 PolarHBondContact OE2-NZ 3.45Å
74	V	93.3	Very high	91.7	Very high	7 Å²	7	53.2 Å²	53.2	4%	0.042	30%	0.296	C	S	.	.			trans	-66.3	128.8	174.8	-178.5	0	0	0	0	108.6	I78 L87 I92 D99 F100	V74-I78 HydrophobicContact CG1-CD1 3.87Å; V74-L87 HydrophobicContact CG1-CD1 4.14Å; V74-L87 HydrophobicContact CG2-CD1 4.46Å; V74-I92 HydrophobicContact CG2-CD1 4.33Å; V74-I92 HydrophobicContact CG2-CG2 4.39Å; V74-D99 HydrophobicContact CB-CB 4.01Å; V74-D99 HydrophobicContact CG1-CB 4.15Å; V74-D99 HydrophobicContact CG2-CB 4.23Å; V74-F100 HydrophobicContact CG1-CE1 3.85Å; V74-F100 HydrophobicContact CG1-CZ 4.38Å; V74-F100 HydrophobicContact CG2-CE1 4.43Å; V74-F100 HydrophobicContact CG2-CZ 4.14Å
75	P	90.4	Very high	91.7	Very high	20 Å²	20	53.1 Å²	53.1	13%	0.13	30%	0.295	C	S	.	.			trans	-60.8	139	178.1	-22.3	32.4	0	0	0	112.4	P54 L71 I78 L87	P54-P75 HydrophobicContact CB-CB 3.65Å; P54-P75 HydrophobicContact CB-CG 4.05Å; P54-P75 HydrophobicContact CG-CB 3.69Å; P54-P75 HydrophobicContact CG-CG 4.19Å; L71-P75 HydrophobicContact CD1-CG 3.81Å; P75-I78 HydrophobicContact CB-CG1 4.39Å; P75-I78 WeakPolarHBondContact O-CD1 3.24Å; P75-I78 VanDerWaalsContact O-CG1 3.31Å; P75-I78 WeakPolarHBondContact O-CG1 3.37Å; P75-L87 HydrophobicContact CG-CD2 4.3Å
76	A	84.9	Confident	91.8	Very high	99 Å²	99	50.6 Å²	50.6	82%	0.818	28%	0.284	S	S	*	.	S	Bend	trans	-76	-32.1	178.5	0	0	0	0	0	113	I78	A76-I78 VanDerWaalsContact C-N 3.28Å; A76-I78 PolarHBondContact O-N 2.89Å
77	D	83.9	Confident	91.8	Very high	103 Å²	103	50.6 Å²	50.6	55%	0.551	28%	0.284	S	S	*	.			trans	-86.2	57.3	-175.1	-59.2	-45.6	0	0	0	111.7	P54	P54-D77 VanDerWaalsContact CD-O 3.23Å; P54-D77 WeakPolarHBondContact CD-O 3.38Å; P54-D77 VanDerWaalsContact CG-O 3.32Å; P54-D77 WeakPolarHBondContact CG-O 3.4Å
78	I	87.6	Confident	91.9	Very high	15 Å²	15	53.3 Å²	53.3	8%	0.077	29%	0.294	C	S	.	.			trans	-96.5	129.4	176.5	-58.1	167.4	0	0	0	109.1	P54 I64 V74 P75 A76 D80 A82 L85 L103	P54-I78 HydrophobicContact CG-CG1 4.37Å; I64-I78 HydrophobicContact CD1-CG2 3.96Å; I64-I78 HydrophobicContact CG1-CG2 4.44Å; V74-I78 HydrophobicContact CG1-CD1 3.87Å; P75-I78 HydrophobicContact CB-CG1 4.39Å; P75-I78 WeakPolarHBondContact O-CD1 3.24Å; P75-I78 VanDerWaalsContact O-CG1 3.31Å; P75-I78 WeakPolarHBondContact O-CG1 3.37Å; A76-I78 VanDerWaalsContact C-N 3.28Å; A76-I78 PolarHBondContact O-N 2.89Å; I78-D80 PolarHBondContact O-N 2.92Å; I78-A82 HydrophobicContact CG2-CB 4.31Å; I78-L85 HydrophobicContact CD1-CD1 4.26Å; I78-L85 HydrophobicContact CD1-CD2 3.78Å; I78-L85 HydrophobicContact CG2-CD1 4.49Å; I78-L103 HydrophobicContact CB-CD2 4.2Å; I78-L103 HydrophobicContact CD1-CD1 4.37Å; I78-L103 HydrophobicContact CG2-CD1 4.1Å; I78-L103 HydrophobicContact CG2-CD2 3.66Å
79	P	87.7	Confident	91.9	Very high	8 Å²	8	51.2 Å²	51.2	5%	0.052	28%	0.283	C	S	.	.			trans	-55.2	132.6	174.9	-23.7	31.1	0	0	0	113.5	P51 I64 D81 A82 L103	P51-P79 HydrophobicContact CB-CB 3.67Å; P51-P79 HydrophobicContact CB-CG 3.93Å; P51-P79 HydrophobicContact CG-CB 4.1Å; P51-P79 HydrophobicContact CG-CG 4.44Å; I64-P79 HydrophobicContact CD1-CG 4.39Å; I64-P79 HydrophobicContact CG1-CG 4.32Å; P79-D81 VanDerWaalsContact CB-OD1 3.24Å; P79-D81 WeakPolarHBondContact CB-OD1 3.34Å; P79-D81 PolarHBondContact O-N 3.17Å; P79-A82 WeakPolarHBondContact O-CB 3.31Å; P79-A82 PolarHBondContact O-N 3.02Å; P79-A82 VanDerWaalsContact O-N 3.13Å; P79-L103 WeakPolarHBondContact O-CD2 3.49Å
80	D	87.4	Confident	92.1	Very high	100 Å²	100	49 Å²	49	54%	0.535	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-23.3	179.5	-68.7	1	0	0	0	113.6	I78 A82 H102	I78-D80 PolarHBondContact O-N 2.92Å; D80-A82 VanDerWaalsContact C-N 3.26Å; D80-A82 PolarHBondContact O-N 3.24Å; D80-H102 VanDerWaalsContact OD1-CB 3.24Å; D80-H102 WeakPolarHBondContact OD1-CB 3.21Å; D80-H102 IonicContact OD1-CG 3.02Å
81	D	88.8	Confident	92.2	Very high	79 Å²	79	53.2 Å²	53.2	42%	0.422	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	3.7	179.5	74.3	-30.6	0	0	0	113.6	R62 P79 T83	R62-D81 WeakPolarHBondContact CB-O 3.25Å; R62-D81 WeakPolarHBondContact CD-O 3.3Å; R62-D81 HydrophobicContact CG-CB 4.39Å; R62-D81 VanDerWaalsContact CG-O 3.3Å; R62-D81 WeakPolarHBondContact CG-O 3.22Å; R62-D81 WeakPolarHBondContact CG-OD2 3.18Å; R62-D81 IonicContact NE-OD2 3.35Å; P79-D81 VanDerWaalsContact CB-OD1 3.24Å; P79-D81 WeakPolarHBondContact CB-OD1 3.34Å; P79-D81 PolarHBondContact O-N 3.17Å; D81-T83 PolarHBondContact O-N 3.29Å
82	A	90.8	Very high	92.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.272	C	S	.	.			trans	-51.8	131.7	176.5	0	0	0	0	0	113.1	I64 I78 P79 D80 L103 G105 L106	I64-A82 HydrophobicContact CD1-CB 3.16Å; I78-A82 HydrophobicContact CG2-CB 4.31Å; P79-A82 WeakPolarHBondContact O-CB 3.31Å; P79-A82 PolarHBondContact O-N 3.02Å; P79-A82 VanDerWaalsContact O-N 3.13Å; D80-A82 VanDerWaalsContact C-N 3.26Å; D80-A82 PolarHBondContact O-N 3.24Å; A82-L103 HydrophobicContact CB-CD2 4.12Å; A82-G105 CarbonylContact O-C 3Å; A82-L106 HydrophobicContact CB-CD1 4.08Å; A82-L106 PolarHBondContact O-N 2.9Å
83	T	93.9	Very high	92.5	Very high	44 Å²	44	46.7 Å²	46.7	27%	0.27	26%	0.258	S	S	.	.	S	Bend	trans	-109.6	-33.8	174.3	59.3	0	0	0	0	112.2	R62 D81 H107 A108	R62-T83 HydrophobicContact CB-CG2 3.84Å; R62-T83 PolarHBondContact O-N 2.66Å; R62-T83 PolarHBondContact O-OG1 2.81Å; D81-T83 PolarHBondContact O-N 3.29Å; T83-H107 PolarHBondContact O-N 2.93Å; T83-A108 PolarHBondContact O-N 3.31Å
84	L	95.5	Very high	92.6	Very high	39 Å²	39	45.5 Å²	45.5	20%	0.204	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	127.4	176.5	-170.6	154.9	0	0	0	108.7	R62 V63 I64 D86 A108 I110	R62-L84 PolarHBondContact O-N 3.13Å; V63-L84 HydrophobicContact CG1-CB 4.31Å; V63-L84 HydrophobicContact CG1-CD2 3.99Å; V63-L84 HydrophobicContact CG2-CB 4.34Å; I64-L84 PolarHBondContact N-O 2.84Å; L84-D86 HydrophobicContact CD2-CB 3.92Å; L84-A108 WeakPolarHBondContact CA-O 3.23Å; L84-A108 HydrophobicContact CD1-CB 4.32Å; L84-A108 HydrophobicContact CG-CB 4.13Å; L84-I110 HydrophobicContact CD2-CD1 4.38Å
85	L	95.5	Very high	92.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	115.6	174.4	177.5	60.3	0	0	0	108.7	I64 I78 L87 F100 L103 L106 A108 L109 I110	I64-L85 HydrophobicContact CB-CD1 3.86Å; I64-L85 HydrophobicContact CG2-CD1 3.73Å; I78-L85 HydrophobicContact CD1-CD1 4.26Å; I78-L85 HydrophobicContact CD1-CD2 3.78Å; I78-L85 HydrophobicContact CG2-CD1 4.49Å; L85-L87 HydrophobicContact CD1-CD1 4.19Å; L85-L87 HydrophobicContact CD1-CG 4.09Å; L85-L87 HydrophobicContact CD2-CD1 3.82Å; L85-L87 HydrophobicContact CG-CD1 3.89Å; L85-L87 HydrophobicContact CG-CG 4.11Å; L85-F100 HydrophobicContact CD2-CD1 4.45Å; L85-F100 HydrophobicContact CD2-CE1 3.93Å; L85-L103 HydrophobicContact CD2-CD1 3.99Å; L85-L106 HydrophobicContact CB-CD1 3.81Å; L85-L106 HydrophobicContact CB-CD2 4.28Å; L85-A108 PolarHBondContact N-O 3.05Å; L85-L109 HydrophobicContact CB-CD1 4.09Å; L85-L109 HydrophobicContact CD2-CD1 3.83Å; L85-L109 HydrophobicContact CG-CD1 4.01Å; L85-I110 PolarHBondContact O-N 3.2Å
86	D	96.4	Very high	92.8	Very high	14 Å²	14	48.1 Å²	48.1	8%	0.075	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	113.9	177.5	-171	0.6	0	0	0	110.5	I64 Q65 C66 S67 L84 Q88 I110	I64-D86 PolarHBondContact O-N 2.95Å; Q65-D86 PolarHBondContact NE2-OD2 3.47Å; Q65-D86 VanDerWaalsContact OE1-CB 3.26Å; Q65-D86 PolarHBondContact OE1-O 2.78Å; Q65-D86 PolarHBondContact OE1-OD2 3.09Å; C66-D86 CarbonylContact C-O 3.16Å; C66-D86 WeakPolarHBondContact CA-O 3.38Å; C66-D86 WeakPolarHBondContact CB-O 3.09Å; C66-D86 PolarHBondContact N-O 2.82Å; S67-D86 PolarHBondContact OG-OD1 3.44Å; S67-D86 PolarHBondContact OG-OD2 3.48Å; L84-D86 HydrophobicContact CD2-CB 3.92Å; D86-Q88 WeakPolarHBondContact OD1-CB 3.37Å; D86-Q88 PolarHBondContact OD1-N 2.88Å; D86-I110 HydrophobicContact CB-CB 4.45Å; D86-I110 HydrophobicContact CB-CD1 4.33Å
87	L	95.4	Very high	93.2	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.243	C	C	.	.			trans	-122.3	27.9	179.6	-72.7	164.4	0	0	0	110.2	C66 L71 V74 P75 L85 N90 I92 I110 L111 N114	C66-L87 HydrophobicContact CB-CD2 3.5Å; C66-L87 HydrophobicContact CB-CG 4.4Å; L71-L87 HydrophobicContact CD1-CD2 3.79Å; V74-L87 HydrophobicContact CG1-CD1 4.14Å; V74-L87 HydrophobicContact CG2-CD1 4.46Å; P75-L87 HydrophobicContact CG-CD2 4.3Å; L85-L87 HydrophobicContact CD1-CD1 4.19Å; L85-L87 HydrophobicContact CD1-CG 4.09Å; L85-L87 HydrophobicContact CD2-CD1 3.82Å; L85-L87 HydrophobicContact CG-CD1 3.89Å; L85-L87 HydrophobicContact CG-CG 4.11Å; L87-N90 VanDerWaalsContact C-ND2 3.29Å; L87-N90 PolarHBondContact O-ND2 2.97Å; L87-I92 HydrophobicContact CB-CD1 4.07Å; L87-I92 HydrophobicContact CD1-CD1 4.23Å; L87-I92 HydrophobicContact CD2-CD1 4.42Å; L87-I92 HydrophobicContact CG-CD1 4.49Å; L87-I110 PolarHBondContact N-O 3.24Å; L87-L111 HydrophobicContact CB-CD2 3.81Å; L87-L111 HydrophobicContact CD1-CD2 3.9Å; L87-N114 PolarHBondContact O-ND2 2.93Å
88	Q	96.2	Very high	93.4	Very high	77 Å²	77	46.8 Å²	46.8	36%	0.36	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	149.9	-178.9	178.2	170.6	10.8	0	0	113	S67 D68 D86 N90 I110 V112	S67-Q88 VanDerWaalsContact CA-O 3.25Å; S67-Q88 WeakPolarHBondContact CA-O 3.32Å; D68-Q88 PolarHBondContact N-O 3.27Å; D68-Q88 VanDerWaalsContact N-O 3.12Å; D86-Q88 WeakPolarHBondContact OD1-CB 3.37Å; D86-Q88 PolarHBondContact OD1-N 2.88Å; Q88-N90 VanDerWaalsContact C-N 3.31Å; Q88-N90 PolarHBondContact O-N 3.37Å; Q88-N90 PolarHBondContact O-ND2 3.26Å; Q88-N90 VanDerWaalsContact O-ND2 3.17Å; Q88-I110 HydrophobicContact CB-CG2 4.24Å; Q88-V112 VanDerWaalsContact CA-O 3.3Å; Q88-V112 WeakPolarHBondContact CA-O 3.28Å; Q88-V112 HydrophobicContact CG-CB 4.18Å; Q88-V112 WeakPolarHBondContact CG-O 3.35Å
89	N	96.5	Very high	93.6	Very high	69 Å²	69	47.6 Å²	47.6	37%	0.369	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	43.3	174.6	-160.8	30.7	0	0	0	114	D68 V112 N113	D68-N89 WeakPolarHBondContact OD1-CB 3.48Å; D68-N89 PolarHBondContact OD1-ND2 3.18Å; N89-V112 PolarHBondContact N-O 2.95Å; N89-N113 VanDerWaalsContact CA-O 3.23Å; N89-N113 WeakPolarHBondContact CA-O 3.29Å; N89-N113 PolarHBondContact N-O 2.91Å; N89-N113 PolarHBondContact OD1-ND2 2.98Å
90	N	96.3	Very high	93.7	Very high	7 Å²	7	47.2 Å²	47.2	4%	0.037	25%	0.245	C	C	.	.			trans	-108	-172.2	173.5	-77.7	-67.8	0	0	0	110.4	C66 L69 G70 L71 L87 Q88 I92 N114	C66-N90 PolarHBondContact O-ND2 2.97Å; L69-N90 PolarHBondContact N-OD1 2.81Å; G70-N90 PolarHBondContact N-OD1 2.95Å; L71-N90 HydrophobicContact CB-CB 4.15Å; L71-N90 WeakPolarHBondContact CB-OD1 3.3Å; L71-N90 WeakPolarHBondContact CG-OD1 3.47Å; L71-N90 PolarHBondContact N-OD1 3.47Å; L87-N90 VanDerWaalsContact C-ND2 3.29Å; L87-N90 PolarHBondContact O-ND2 2.97Å; Q88-N90 VanDerWaalsContact C-N 3.31Å; Q88-N90 PolarHBondContact O-N 3.37Å; Q88-N90 PolarHBondContact O-ND2 3.26Å; Q88-N90 VanDerWaalsContact O-ND2 3.17Å; N90-I92 HydrophobicContact CB-CD1 4.31Å; N90-I92 HydrophobicContact CB-CG1 4.12Å; N90-N114 VanDerWaalsContact CA-OD1 3.28Å; N90-N114 WeakPolarHBondContact CA-OD1 3.26Å; N90-N114 WeakPolarHBondContact CB-OD1 3.23Å; N90-N114 PolarHBondContact N-OD1 2.99Å; N90-N114 PolarHBondContact O-OD1 3.08Å
91	K	96.7	Very high	93.8	Very high	119 Å²	119	48.7 Å²	48.7	52%	0.517	25%	0.246	S	C	.	.			trans	-115.4	30.8	-179.1	-63	178.6	-178	174.3	0	110.9	L71 T93 N114	L71-K91 CarbonylContact O-C 3.59Å; L71-K91 VanDerWaalsContact O-CA 3.24Å; L71-K91 WeakPolarHBondContact O-CA 3.24Å; L71-K91 PolarHBondContact O-N 2.68Å; K91-T93 PolarHBondContact O-N 3.07Å; K91-N114 PolarHBondContact N-OD1 2.78Å
92	I	96.3	Very high	93.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.252	C	S	.	.			trans	-66.6	125.8	-178.1	-58.4	170.5	0	0	0	108.7	L71 K72 V74 L87 N90 E94 L111 N114 K115 I116	L71-I92 PolarHBondContact O-N 3.47Å; K72-I92 WeakPolarHBondContact O-CA 3.29Å; V74-I92 HydrophobicContact CG2-CD1 4.33Å; V74-I92 HydrophobicContact CG2-CG2 4.39Å; L87-I92 HydrophobicContact CB-CD1 4.07Å; L87-I92 HydrophobicContact CD1-CD1 4.23Å; L87-I92 HydrophobicContact CD2-CD1 4.42Å; L87-I92 HydrophobicContact CG-CD1 4.49Å; N90-I92 HydrophobicContact CB-CD1 4.31Å; N90-I92 HydrophobicContact CB-CG1 4.12Å; I92-E94 WeakPolarHBondContact CG2-O 3.4Å; I92-L111 HydrophobicContact CD1-CD2 3.97Å; I92-N114 HydrophobicContact CB-CB 4.37Å; I92-N114 WeakPolarHBondContact CB-OD1 3.45Å; I92-N114 WeakPolarHBondContact CG1-OD1 3.45Å; I92-N114 PolarHBondContact N-OD1 3.35Å; I92-N114 VanDerWaalsContact N-OD1 3.09Å; I92-K115 CarbonylContact O-C 3.11Å; I92-K115 VanDerWaalsContact O-CA 3.29Å; I92-K115 WeakPolarHBondContact O-CA 3.47Å; I92-K115 PolarHBondContact O-N 3.02Å; I92-I116 HydrophobicContact CB-CG1 4.32Å; I92-I116 HydrophobicContact CG2-CG1 4.11Å; I92-I116 WeakPolarHBondContact O-CG1 3.42Å; I92-I116 PolarHBondContact O-N 3.38Å
93	T	95.1	Very high	93.7	Very high	70 Å²	70	50.6 Å²	50.6	43%	0.429	25%	0.253	S	S	.	.			trans	-101.7	-28.3	-175	51	0	0	0	0	114.4	K91 K115 I116 T117	K91-T93 PolarHBondContact O-N 3.07Å; T93-K115 WeakPolarHBondContact CA-O 2.98Å; T93-K115 HydrophobicContact CG2-CB 4.35Å; T93-I116 WeakPolarHBondContact O-CA 3.36Å; T93-T117 PolarHBondContact O-N 3.3Å; T93-T117 PolarHBondContact O-OG1 2.69Å
94	E	95.1	Very high	93.5	Very high	86 Å²	86	55.1 Å²	55.1	40%	0.402	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	156.7	-177.7	61.2	176.8	-159.9	0	0	110.6	I92 K96 T118	I92-E94 WeakPolarHBondContact CG2-O 3.4Å; E94-K96 WeakPolarHBondContact OE1-CE 3.34Å; E94-T118 WeakPolarHBondContact CA-O 3.32Å; E94-T118 WeakPolarHBondContact CB-OG1 3.33Å
95	I	95.4	Very high	93.2	Very high	4 Å²	4	54.4 Å²	54.4	2%	0.021	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	118.5	170.4	-54.7	-179.2	0	0	0	108.6	D99 F100 L111 I116 T118 I119 H120 A123 F124	I95-D99 HydrophobicContact CG2-CB 4.41Å; I95-F100 HydrophobicContact CD1-CE2 4.24Å; I95-F100 HydrophobicContact CG2-CD2 4.02Å; I95-F100 HydrophobicContact CG2-CE2 3.43Å; I95-F100 VanDerWaalsContact CG2-CE2 3.43Å; I95-F100 HydrophobicContact CG2-CZ 4.27Å; I95-L111 HydrophobicContact CD1-CD1 3.65Å; I95-I116 HydrophobicContact CD1-CD1 4.23Å; I95-I116 HydrophobicContact CD1-CG2 4.5Å; I95-I116 HydrophobicContact CG1-CD1 4.42Å; I95-I116 HydrophobicContact CG1-CG2 4.2Å; I95-T118 PolarHBondContact N-O 3.02Å; I95-T118 VanDerWaalsContact N-O 3.08Å; I95-I119 HydrophobicContact CB-CB 4.49Å; I95-I119 HydrophobicContact CB-CG1 4.23Å; I95-I119 HydrophobicContact CB-CG2 4.23Å; I95-I119 HydrophobicContact CD1-CD1 3.9Å; I95-I119 HydrophobicContact CD1-CG1 3.83Å; I95-I119 HydrophobicContact CD1-CG2 4.39Å; I95-I119 HydrophobicContact CG1-CG1 4.09Å; I95-H120 WeakPolarHBondContact O-CB 3.44Å; I95-H120 PolarHBondContact O-N 2.94Å; I95-A123 HydrophobicContact CG2-CB 3.63Å; I95-F124 HydrophobicContact CD1-CE1 4.1Å; I95-F124 HydrophobicContact CD1-CZ 3.79Å
96	K	93.9	Very high	93.2	Very high	77 Å²	77	54.4 Å²	54.4	34%	0.335	27%	0.27	S	S	.	.			trans	-87.4	166.7	-178.2	-55.6	167.4	-177	165	0	110.9	E73 E94 S98 D99 A123	E73-K96 IonicContact OE2-NZ 3.44Å; E73-K96 PolarHBondContact OE2-NZ 3.45Å; E94-K96 WeakPolarHBondContact OE1-CE 3.34Å; K96-S98 VanDerWaalsContact C-N 3.27Å; K96-S98 PolarHBondContact O-N 3.35Å; K96-D99 PolarHBondContact N-OD2 3.44Å; K96-A123 WeakPolarHBondContact O-CB 3.1Å
97	E	91.7	Very high	93.1	Very high	97 Å²	97	56.9 Å²	56.9	45%	0.453	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-35	179.1	-174.9	169.3	176.4	0	0	113.2	H120 K122	E97-H120 IonicContact OE2-CE1 3.48Å; E97-H120 PolarHBondContact OE2-CE1 2.82Å; E97-H120 IonicContact OE2-ND1 3.67Å; E97-H120 IonicContact OE2-NE2 3.98Å; E97-K122 HydrophobicContact CG-CB 4.02Å; E97-K122 WeakPolarHBondContact OE1-CD 3.3Å
98	S	89.2	Confident	93.1	Very high	78 Å²	78	57 Å²	57	55%	0.545	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-15.6	-173.3	47.3	0	0	0	0	114.7	K96 F100 K101	K96-S98 VanDerWaalsContact C-N 3.27Å; K96-S98 PolarHBondContact O-N 3.35Å; S98-F100 PolarHBondContact O-N 3.05Å; S98-F100 VanDerWaalsContact O-N 3.13Å; S98-K101 WeakPolarHBondContact O-CB 3.47Å; S98-K101 PolarHBondContact O-N 2.8Å
99	D	90.9	Very high	93.1	Very high	31 Å²	31	53.3 Å²	53.3	17%	0.166	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-31.5	-167.5	-68.1	-6.9	0	0	0	113.2	V74 I95 K96	V74-D99 HydrophobicContact CB-CB 4.01Å; V74-D99 HydrophobicContact CG1-CB 4.15Å; V74-D99 HydrophobicContact CG2-CB 4.23Å; I95-D99 HydrophobicContact CG2-CB 4.41Å; K96-D99 PolarHBondContact N-OD2 3.44Å
100	F	91.5	Very high	93	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.5	16.8	-177	-55.5	-53.4	0	0	0	113.9	V74 L85 I95 S98 H102 L103 L109 L111 F124 L127	V74-F100 HydrophobicContact CG1-CE1 3.85Å; V74-F100 HydrophobicContact CG1-CZ 4.38Å; V74-F100 HydrophobicContact CG2-CE1 4.43Å; V74-F100 HydrophobicContact CG2-CZ 4.14Å; L85-F100 HydrophobicContact CD2-CD1 4.45Å; L85-F100 HydrophobicContact CD2-CE1 3.93Å; I95-F100 HydrophobicContact CD1-CE2 4.24Å; I95-F100 HydrophobicContact CG2-CD2 4.02Å; I95-F100 HydrophobicContact CG2-CE2 3.43Å; I95-F100 VanDerWaalsContact CG2-CE2 3.43Å; I95-F100 HydrophobicContact CG2-CZ 4.27Å; S98-F100 PolarHBondContact O-N 3.05Å; S98-F100 VanDerWaalsContact O-N 3.13Å; F100-H102 PolarHBondContact O-N 3.43Å; F100-H102 VanDerWaalsContact O-N 3.15Å; F100-L103 HydrophobicContact CD1-CD1 3.82Å; F100-L103 PolarHBondContact O-N 3.47Å; F100-L109 HydrophobicContact CD2-CD2 4.47Å; F100-L109 HydrophobicContact CE1-CD1 4.17Å; F100-L109 HydrophobicContact CE1-CD2 4.11Å; F100-L109 HydrophobicContact CE2-CD2 3.86Å; F100-L109 HydrophobicContact CZ-CD1 4.21Å; F100-L109 HydrophobicContact CZ-CD2 3.66Å; F100-L111 HydrophobicContact CZ-CD1 4.38Å; F100-F124 HydrophobicContact CD2-CD1 4.02Å; F100-F124 HydrophobicContact CD2-CE1 4.07Å; F100-F124 HydrophobicContact CE2-CD1 4.13Å; F100-F124 AromaticContact CE2-CE1 3.69Å; F100-F124 HydrophobicContact CE2-CE1 3.69Å; F100-L127 HydrophobicContact CB-CD1 4.24Å; F100-L127 HydrophobicContact CB-CD2 3.9Å; F100-L127 HydrophobicContact CB-CG 4.13Å; F100-L127 HydrophobicContact CD2-CD1 4.33Å; F100-L127 HydrophobicContact CG-CD1 4.31Å
101	K	87.9	Confident	93	Very high	131 Å²	131	50.8 Å²	50.8	57%	0.57	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-34.7	-171.5	-172	177.5	179.4	-177.9	0	113.9	S98	S98-K101 WeakPolarHBondContact O-CB 3.47Å; S98-K101 PolarHBondContact O-N 2.8Å
102	H	87.4	Confident	93	Very high	116 Å²	116	46.1 Å²	46.1	54%	0.537	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-15.1	-174.3	-59.8	-84.5	0	0	0	113.7	D80 F100 K104	D80-H102 VanDerWaalsContact OD1-CB 3.24Å; D80-H102 WeakPolarHBondContact OD1-CB 3.21Å; D80-H102 IonicContact OD1-CG 3.02Å; F100-H102 PolarHBondContact O-N 3.43Å; F100-H102 VanDerWaalsContact O-N 3.15Å; H102-K104 VanDerWaalsContact C-N 3.27Å; H102-K104 PolarHBondContact O-N 3.13Å
103	L	90	Very high	93	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.021	25%	0.25	C	S	.	.			trans	-85.3	52.6	-169	-54.6	-175.9	0	0	0	113.8	I78 P79 A82 L85 F100 G105 L106 L127	I78-L103 HydrophobicContact CB-CD2 4.2Å; I78-L103 HydrophobicContact CD1-CD1 4.37Å; I78-L103 HydrophobicContact CG2-CD1 4.1Å; I78-L103 HydrophobicContact CG2-CD2 3.66Å; P79-L103 WeakPolarHBondContact O-CD2 3.49Å; A82-L103 HydrophobicContact CB-CD2 4.12Å; L85-L103 HydrophobicContact CD2-CD1 3.99Å; F100-L103 HydrophobicContact CD1-CD1 3.82Å; F100-L103 PolarHBondContact O-N 3.47Å; L103-G105 PolarHBondContact O-N 3.2Å; L103-L106 HydrophobicContact CB-CB 4.19Å; L103-L106 HydrophobicContact CD1-CD2 4.26Å; L103-L106 WeakPolarHBondContact O-CB 3.46Å; L103-L106 PolarHBondContact O-N 3.45Å; L103-L127 HydrophobicContact CB-CD2 3.79Å; L103-L127 WeakPolarHBondContact O-CD2 3.44Å
104	K	89.4	Confident	93.1	Very high	139 Å²	139	46.5 Å²	46.5	60%	0.604	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-23.4	-178.8	-60.5	178.1	-174.9	174	0	113.2	H102	H102-K104 VanDerWaalsContact C-N 3.27Å; H102-K104 PolarHBondContact O-N 3.13Å
105	G	90.5	Very high	93.1	Very high	23 Å²	23	47.6 Å²	47.6	24%	0.237	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-1.9	-179.1	0	0	0	0	0	115.3	A82 L103 H107	A82-G105 CarbonylContact O-C 3Å; L103-G105 PolarHBondContact O-N 3.2Å; G105-H107 PolarHBondContact O-CE1 2.96Å; G105-H107 VanDerWaalsContact O-CE1 3.22Å; G105-H107 PolarHBondContact O-N 3.15Å; G105-H107 PolarHBondContact O-ND1 3.48Å
106	L	94.6	Very high	93.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.235	C	C	.	.			trans	-70.7	130	-173.1	-161	71	0	0	0	111.3	A82 L85 L103 L109 L127 K129 L130	A82-L106 HydrophobicContact CB-CD1 4.08Å; A82-L106 PolarHBondContact O-N 2.9Å; L85-L106 HydrophobicContact CB-CD1 3.81Å; L85-L106 HydrophobicContact CB-CD2 4.28Å; L103-L106 HydrophobicContact CB-CB 4.19Å; L103-L106 HydrophobicContact CD1-CD2 4.26Å; L103-L106 WeakPolarHBondContact O-CB 3.46Å; L103-L106 PolarHBondContact O-N 3.45Å; L106-L109 HydrophobicContact CD2-CB 3.97Å; L106-L109 HydrophobicContact CD2-CD1 4.4Å; L106-L127 HydrophobicContact CB-CD2 4.06Å; L106-L127 HydrophobicContact CD2-CD2 4.04Å; L106-K129 CarbonylContact O-C 3.53Å; L106-L130 HydrophobicContact CB-CD1 4.4Å; L106-L130 HydrophobicContact CD2-CD1 4.02Å; L106-L130 HydrophobicContact CG-CD1 4.09Å; L106-L130 VanDerWaalsContact O-CA 3.26Å; L106-L130 WeakPolarHBondContact O-CA 3.24Å; L106-L130 PolarHBondContact O-N 2.86Å; L106-L130 VanDerWaalsContact O-N 3.14Å
107	H	94.5	Very high	93.2	Very high	66 Å²	66	46.5 Å²	46.5	31%	0.306	24%	0.236	S	C	.	.			trans	-104.9	-33.9	178.6	-67.9	73.4	0	0	0	111.9	T83 G105 Q131 R132	T83-H107 PolarHBondContact O-N 2.93Å; G105-H107 PolarHBondContact O-CE1 2.96Å; G105-H107 VanDerWaalsContact O-CE1 3.22Å; G105-H107 PolarHBondContact O-N 3.15Å; G105-H107 PolarHBondContact O-ND1 3.48Å; H107-Q131 PolarHBondContact O-N 2.81Å; H107-R132 PolarHBondContact O-N 3.23Å
108	A	95.2	Very high	93.2	Very high	2 Å²	2	45.5 Å²	45.5	2%	0.017	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	132.2	179.8	0	0	0	0	0	111.6	T83 L84 L85 R132	T83-A108 PolarHBondContact O-N 3.31Å; L84-A108 WeakPolarHBondContact CA-O 3.23Å; L84-A108 HydrophobicContact CD1-CB 4.32Å; L84-A108 HydrophobicContact CG-CB 4.13Å; L85-A108 PolarHBondContact N-O 3.05Å; A108-R132 WeakPolarHBondContact CA-O 3.15Å; A108-R132 HydrophobicContact CB-CB 4.12Å
109	L	95.9	Very high	93.5	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	118.2	175.9	176.5	56.1	0	0	0	109.4	L85 F100 L106 L111 F124 L127 L130 R132 L133 Y134	L85-L109 HydrophobicContact CB-CD1 4.09Å; L85-L109 HydrophobicContact CD2-CD1 3.83Å; L85-L109 HydrophobicContact CG-CD1 4.01Å; F100-L109 HydrophobicContact CD2-CD2 4.47Å; F100-L109 HydrophobicContact CE1-CD1 4.17Å; F100-L109 HydrophobicContact CE1-CD2 4.11Å; F100-L109 HydrophobicContact CE2-CD2 3.86Å; F100-L109 HydrophobicContact CZ-CD1 4.21Å; F100-L109 HydrophobicContact CZ-CD2 3.66Å; L106-L109 HydrophobicContact CD2-CB 3.97Å; L106-L109 HydrophobicContact CD2-CD1 4.4Å; L109-L111 HydrophobicContact CD1-CD1 4.14Å; L109-L111 HydrophobicContact CD1-CG 4.03Å; L109-L111 HydrophobicContact CD2-CD1 3.87Å; L109-L111 HydrophobicContact CG-CD1 3.88Å; L109-L111 HydrophobicContact CG-CG 4.12Å; L109-F124 HydrophobicContact CD2-CD1 4.45Å; L109-F124 HydrophobicContact CD2-CE1 3.89Å; L109-L127 HydrophobicContact CD2-CD1 4.24Å; L109-L130 HydrophobicContact CB-CD1 3.91Å; L109-R132 PolarHBondContact N-O 3.01Å; L109-L133 HydrophobicContact CB-CD1 3.81Å; L109-L133 HydrophobicContact CD2-CD1 3.68Å; L109-L133 HydrophobicContact CG-CD1 3.75Å; L109-Y134 PolarHBondContact O-N 2.94Å
110	I	96.3	Very high	93.6	Very high	23 Å²	23	45.4 Å²	45.4	12%	0.118	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	113.5	-178.9	-49.8	177.2	0	0	0	108.4	L84 L85 D86 L87 Q88 V112 Y134	L84-I110 HydrophobicContact CD2-CD1 4.38Å; L85-I110 PolarHBondContact O-N 3.2Å; D86-I110 HydrophobicContact CB-CB 4.45Å; D86-I110 HydrophobicContact CB-CD1 4.33Å; L87-I110 PolarHBondContact N-O 3.24Å; Q88-I110 HydrophobicContact CB-CG2 4.24Å; I110-V112 HydrophobicContact CG2-CB 4.27Å; I110-V112 HydrophobicContact CG2-CG2 3.86Å; I110-Y134 HydrophobicContact CG1-CD2 4.04Å; I110-Y134 HydrophobicContact CG2-CD2 4.39Å
111	L	95.8	Very high	93.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.247	C	C	.	.			trans	-124.8	28.6	179	-73.2	164.5	0	0	0	110.6	L87 I92 I95 F100 L109 N114 I116 Y134 L135 N138	L87-L111 HydrophobicContact CB-CD2 3.81Å; L87-L111 HydrophobicContact CD1-CD2 3.9Å; I92-L111 HydrophobicContact CD1-CD2 3.97Å; I95-L111 HydrophobicContact CD1-CD1 3.65Å; F100-L111 HydrophobicContact CZ-CD1 4.38Å; L109-L111 HydrophobicContact CD1-CD1 4.14Å; L109-L111 HydrophobicContact CD1-CG 4.03Å; L109-L111 HydrophobicContact CD2-CD1 3.87Å; L109-L111 HydrophobicContact CG-CD1 3.88Å; L109-L111 HydrophobicContact CG-CG 4.12Å; L111-N114 PolarHBondContact O-ND2 3.12Å; L111-I116 HydrophobicContact CB-CD1 3.91Å; L111-I116 HydrophobicContact CD1-CD1 4.21Å; L111-I116 HydrophobicContact CD2-CD1 4.23Å; L111-I116 HydrophobicContact CG-CD1 4.36Å; L111-Y134 CarbonylContact C-O 3.51Å; L111-Y134 WeakPolarHBondContact CA-O 3.37Å; L111-Y134 PolarHBondContact N-O 3.45Å; L111-L135 HydrophobicContact CB-CD2 3.96Å; L111-L135 HydrophobicContact CD1-CD2 3.77Å; L111-N138 PolarHBondContact O-ND2 2.78Å
112	V	96.4	Very high	93.5	Very high	21 Å²	21	47.7 Å²	47.7	13%	0.127	24%	0.243	C	C	.	.			trans	-67.1	143.3	-175.8	179.1	0	0	0	0	110.5	Q88 N89 I110 N114 S136	Q88-V112 VanDerWaalsContact CA-O 3.3Å; Q88-V112 WeakPolarHBondContact CA-O 3.28Å; Q88-V112 HydrophobicContact CG-CB 4.18Å; Q88-V112 WeakPolarHBondContact CG-O 3.35Å; N89-V112 PolarHBondContact N-O 2.95Å; I110-V112 HydrophobicContact CG2-CB 4.27Å; I110-V112 HydrophobicContact CG2-CG2 3.86Å; V112-N114 PolarHBondContact O-ND2 3.22Å; V112-S136 CarbonylContact C-O 3.35Å; V112-S136 VanDerWaalsContact CA-O 3.26Å; V112-S136 WeakPolarHBondContact CA-O 3.47Å
113	N	96.3	Very high	93.7	Very high	68 Å²	68	42.1 Å²	42.1	36%	0.364	22%	0.218	S	C	.	.	S	Bend	trans	57.4	54.4	176.7	-160.8	37.5	0	0	0	112.5	N89 S136 K137	N89-N113 VanDerWaalsContact CA-O 3.23Å; N89-N113 WeakPolarHBondContact CA-O 3.29Å; N89-N113 PolarHBondContact N-O 2.91Å; N89-N113 PolarHBondContact OD1-ND2 2.98Å; N113-S136 PolarHBondContact N-O 3.19Å; N113-K137 VanDerWaalsContact CA-O 3.23Å; N113-K137 WeakPolarHBondContact CA-O 3.33Å; N113-K137 HydrophobicContact CB-CB 4.24Å; N113-K137 PolarHBondContact N-O 3.39Å
114	N	96.4	Very high	93.8	Very high	9 Å²	9	42.1 Å²	42.1	5%	0.048	22%	0.217	C	C	.	.			trans	-116.8	-170.6	172.1	-87	-84.6	0	0	0	109.4	L87 N90 K91 I92 L111 V112 I116 K137 N138	L87-N114 PolarHBondContact O-ND2 2.93Å; N90-N114 VanDerWaalsContact CA-OD1 3.28Å; N90-N114 WeakPolarHBondContact CA-OD1 3.26Å; N90-N114 WeakPolarHBondContact CB-OD1 3.23Å; N90-N114 PolarHBondContact N-OD1 2.99Å; N90-N114 PolarHBondContact O-OD1 3.08Å; K91-N114 PolarHBondContact N-OD1 2.78Å; I92-N114 HydrophobicContact CB-CB 4.37Å; I92-N114 WeakPolarHBondContact CB-OD1 3.45Å; I92-N114 WeakPolarHBondContact CG1-OD1 3.45Å; I92-N114 PolarHBondContact N-OD1 3.35Å; I92-N114 VanDerWaalsContact N-OD1 3.09Å; L111-N114 PolarHBondContact O-ND2 3.12Å; V112-N114 PolarHBondContact O-ND2 3.22Å; N114-I116 HydrophobicContact CB-CD1 4.06Å; N114-I116 HydrophobicContact CB-CG1 3.91Å; N114-K137 PolarHBondContact N-O 3.13Å; N114-N138 VanDerWaalsContact CA-OD1 3.3Å; N114-N138 WeakPolarHBondContact CA-OD1 3.19Å; N114-N138 WeakPolarHBondContact CB-OD1 3.17Å; N114-N138 PolarHBondContact N-OD1 3.23Å; N114-N138 PolarHBondContact O-OD1 3.48Å
115	K	96.4	Very high	93.8	Very high	109 Å²	109	38.4 Å²	38.4	47%	0.474	21%	0.209	S	C	.	.			trans	-114.3	32.1	178.4	-63.4	-169.5	178.2	-168.6	0	111.3	I92 T93 T117 N138 M139	I92-K115 CarbonylContact O-C 3.11Å; I92-K115 VanDerWaalsContact O-CA 3.29Å; I92-K115 WeakPolarHBondContact O-CA 3.47Å; I92-K115 PolarHBondContact O-N 3.02Å; T93-K115 WeakPolarHBondContact CA-O 2.98Å; T93-K115 HydrophobicContact CG2-CB 4.35Å; K115-T117 PolarHBondContact O-N 2.8Å; K115-N138 PolarHBondContact N-OD1 3.24Å; K115-M139 HydrophobicContact CB-CE 3.84Å; K115-M139 WeakPolarHBondContact O-CE 3.38Å
116	I	96.4	Very high	93.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.208	C	C	.	.			trans	-69.4	121.8	-171.1	-56.7	165.4	0	0	0	108.7	I92 T93 I95 L111 N114 I119 L135 N138 M139 L140	I92-I116 HydrophobicContact CB-CG1 4.32Å; I92-I116 HydrophobicContact CG2-CG1 4.11Å; I92-I116 WeakPolarHBondContact O-CG1 3.42Å; I92-I116 PolarHBondContact O-N 3.38Å; T93-I116 WeakPolarHBondContact O-CA 3.36Å; I95-I116 HydrophobicContact CD1-CD1 4.23Å; I95-I116 HydrophobicContact CD1-CG2 4.5Å; I95-I116 HydrophobicContact CG1-CD1 4.42Å; I95-I116 HydrophobicContact CG1-CG2 4.2Å; L111-I116 HydrophobicContact CB-CD1 3.91Å; L111-I116 HydrophobicContact CD1-CD1 4.21Å; L111-I116 HydrophobicContact CD2-CD1 4.23Å; L111-I116 HydrophobicContact CG-CD1 4.36Å; N114-I116 HydrophobicContact CB-CD1 4.06Å; N114-I116 HydrophobicContact CB-CG1 3.91Å; I116-I119 HydrophobicContact CG2-CD1 4.19Å; I116-I119 HydrophobicContact CG2-CG1 3.79Å; I116-L135 HydrophobicContact CD1-CD2 4.21Å; I116-N138 HydrophobicContact CB-CB 4.26Å; I116-N138 WeakPolarHBondContact CB-OD1 3.5Å; I116-N138 VanDerWaalsContact CG1-OD1 3.28Å; I116-N138 WeakPolarHBondContact CG1-OD1 3.38Å; I116-N138 PolarHBondContact N-OD1 2.82Å; I116-M139 CarbonylContact O-C 3.57Å; I116-M139 WeakPolarHBondContact O-CA 3.28Å; I116-M139 PolarHBondContact O-N 3.26Å; I116-L140 HydrophobicContact CB-CD2 4.44Å; I116-L140 HydrophobicContact CG2-CD2 3.8Å; I116-L140 PolarHBondContact O-N 2.85Å
117	T	93.9	Very high	93.6	Very high	58 Å²	58	38.9 Å²	38.9	36%	0.356	21%	0.208	S	C	.	.			trans	-106.6	-37.2	179.6	53.1	0	0	0	0	112.1	T93 K115 M139	T93-T117 PolarHBondContact O-N 3.3Å; T93-T117 PolarHBondContact O-OG1 2.69Å; K115-T117 PolarHBondContact O-N 2.8Å; T117-M139 HydrophobicContact CG2-CB 4.01Å; T117-M139 HydrophobicContact CG2-CE 3.54Å
118	T	92.7	Very high	93.4	Very high	77 Å²	77	40.1 Å²	40.1	47%	0.472	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	140.8	-174.3	55.3	0	0	0	0	110.3	E94 I95	E94-T118 WeakPolarHBondContact CA-O 3.32Å; E94-T118 WeakPolarHBondContact CB-OG1 3.33Å; I95-T118 PolarHBondContact N-O 3.02Å; I95-T118 VanDerWaalsContact N-O 3.08Å
119	I	94.4	Very high	93.2	Very high	30 Å²	30	45.6 Å²	45.6	15%	0.154	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	124.3	175.1	-63.2	176.3	0	0	0	106.9	I95 I116 A123 F124 L135 L140 P144	I95-I119 HydrophobicContact CB-CB 4.49Å; I95-I119 HydrophobicContact CB-CG1 4.23Å; I95-I119 HydrophobicContact CB-CG2 4.23Å; I95-I119 HydrophobicContact CD1-CD1 3.9Å; I95-I119 HydrophobicContact CD1-CG1 3.83Å; I95-I119 HydrophobicContact CD1-CG2 4.39Å; I95-I119 HydrophobicContact CG1-CG1 4.09Å; I116-I119 HydrophobicContact CG2-CD1 4.19Å; I116-I119 HydrophobicContact CG2-CG1 3.79Å; I119-A123 HydrophobicContact CG2-CB 4.16Å; I119-F124 HydrophobicContact CD1-CE2 4.11Å; I119-F124 HydrophobicContact CD1-CZ 4.11Å; I119-F124 HydrophobicContact CG2-CD2 4.23Å; I119-F124 HydrophobicContact CG2-CE2 3.62Å; I119-F124 HydrophobicContact CG2-CZ 3.97Å; I119-L135 HydrophobicContact CD1-CD1 3.99Å; I119-L135 HydrophobicContact CD1-CD2 4.08Å; I119-L140 HydrophobicContact CD1-CD1 4.06Å; I119-L140 HydrophobicContact CD1-CD2 3.68Å; I119-L140 HydrophobicContact CG1-CD2 3.86Å; I119-P144 HydrophobicContact CD1-CG 3.99Å
120	H	93.3	Very high	93.1	Very high	76 Å²	76	45.5 Å²	45.5	35%	0.352	24%	0.243	S	C	.	.			trans	-63	136.5	178.2	-170.4	-97	0	0	0	110.8	I95 E97 K122 A123	I95-H120 WeakPolarHBondContact O-CB 3.44Å; I95-H120 PolarHBondContact O-N 2.94Å; E97-H120 IonicContact OE2-CE1 3.48Å; E97-H120 PolarHBondContact OE2-CE1 2.82Å; E97-H120 IonicContact OE2-ND1 3.67Å; E97-H120 IonicContact OE2-NE2 3.98Å; H120-K122 PolarHBondContact ND1-N 3.14Å; H120-K122 PolarHBondContact O-N 3.18Å; H120-A123 HydrophobicContact CB-CB 4.29Å; H120-A123 VanDerWaalsContact O-CB 3.28Å; H120-A123 WeakPolarHBondContact O-CB 3.41Å; H120-A123 PolarHBondContact O-N 3.26Å
121	P	88.8	Confident	92.8	Very high	64 Å²	64	47.8 Å²	47.8	42%	0.416	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-13.8	-175.7	-27	34.8	0	0	0	116	A145 N146	P121-A145 HydrophobicContact CB-CB 4.35Å; P121-N146 WeakPolarHBondContact O-CB 3.09Å; P121-N146 PolarHBondContact O-ND2 3.46Å
122	K	89.5	Confident	92.7	Very high	115 Å²	115	52.3 Å²	52.3	50%	0.5	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	1.4	177.6	-65.5	-180	-179.4	173.9	0	113.9	E97 H120 F124 S125	E97-K122 HydrophobicContact CG-CB 4.02Å; E97-K122 WeakPolarHBondContact OE1-CD 3.3Å; H120-K122 PolarHBondContact ND1-N 3.14Å; H120-K122 PolarHBondContact O-N 3.18Å; K122-F124 VanDerWaalsContact C-N 3.3Å; K122-F124 PolarHBondContact O-N 3.2Å; K122-S125 PolarHBondContact O-N 2.99Å; K122-S125 PolarHBondContact O-OG 2.96Å
123	A	91.9	Very high	92.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.264	C	S	.	.	S	Bend	trans	-59.9	-38.8	-175.9	0	0	0	0	0	112.8	I95 K96 I119 H120 P126	I95-A123 HydrophobicContact CG2-CB 3.63Å; K96-A123 WeakPolarHBondContact O-CB 3.1Å; I119-A123 HydrophobicContact CG2-CB 4.16Å; H120-A123 HydrophobicContact CB-CB 4.29Å; H120-A123 VanDerWaalsContact O-CB 3.28Å; H120-A123 WeakPolarHBondContact O-CB 3.41Å; H120-A123 PolarHBondContact O-N 3.26Å; A123-P126 WeakPolarHBondContact O-CD 3.38Å
124	F	91.5	Very high	92.4	Very high	3 Å²	3	49.7 Å²	49.7	1%	0.013	25%	0.253	C	S	.	.	S	Bend	trans	-93.8	-9.1	-178.4	-57.4	-47.9	0	0	0	114.4	I95 F100 L109 I119 K122 P126 L127 L133 L135 P144 M147 P148	I95-F124 HydrophobicContact CD1-CE1 4.1Å; I95-F124 HydrophobicContact CD1-CZ 3.79Å; F100-F124 HydrophobicContact CD2-CD1 4.02Å; F100-F124 HydrophobicContact CD2-CE1 4.07Å; F100-F124 HydrophobicContact CE2-CD1 4.13Å; F100-F124 AromaticContact CE2-CE1 3.69Å; F100-F124 HydrophobicContact CE2-CE1 3.69Å; L109-F124 HydrophobicContact CD2-CD1 4.45Å; L109-F124 HydrophobicContact CD2-CE1 3.89Å; I119-F124 HydrophobicContact CD1-CE2 4.11Å; I119-F124 HydrophobicContact CD1-CZ 4.11Å; I119-F124 HydrophobicContact CG2-CD2 4.23Å; I119-F124 HydrophobicContact CG2-CE2 3.62Å; I119-F124 HydrophobicContact CG2-CZ 3.97Å; K122-F124 VanDerWaalsContact C-N 3.3Å; K122-F124 PolarHBondContact O-N 3.2Å; F124-P126 VanDerWaalsContact C-N 3.32Å; F124-L127 HydrophobicContact CB-CD1 4.43Å; F124-L127 HydrophobicContact CD1-CD1 3.79Å; F124-L127 WeakPolarHBondContact O-CB 3.38Å; F124-L127 PolarHBondContact O-N 2.92Å; F124-L133 HydrophobicContact CD2-CD2 4.4Å; F124-L133 HydrophobicContact CE1-CD1 4.39Å; F124-L133 HydrophobicContact CE1-CD2 4.48Å; F124-L133 HydrophobicContact CE2-CD2 3.94Å; F124-L133 HydrophobicContact CZ-CD1 4.39Å; F124-L133 HydrophobicContact CZ-CD2 3.99Å; F124-L135 HydrophobicContact CE2-CD1 4.47Å; F124-L135 HydrophobicContact CZ-CD1 4.43Å; F124-P144 HydrophobicContact CD2-CB 4.43Å; F124-P144 HydrophobicContact CE2-CB 4.12Å; F124-P144 HydrophobicContact CE2-CG 4.41Å; F124-M147 HydrophobicContact CD2-SD 3.57Å; F124-M147 VanDerWaalsContact CD2-SD 3.57Å; F124-M147 HydrophobicContact CE2-SD 3.98Å; F124-M147 HydrophobicContact CG-SD 4.47Å; F124-P148 HydrophobicContact CB-CG 4Å
125	S	88.4	Confident	92.3	Very high	61 Å²	61	49.2 Å²	49.2	43%	0.427	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-37.3	-179.9	-57.5	0	0	0	0	114.8	K122 L127	K122-S125 PolarHBondContact O-N 2.99Å; K122-S125 PolarHBondContact O-OG 2.96Å; S125-L127 VanDerWaalsContact C-N 3.26Å; S125-L127 PolarHBondContact O-N 3.23Å
126	P	90.1	Very high	92.2	Very high	33 Å²	33	44.1 Å²	44.1	21%	0.214	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-20.9	178.1	-20.7	34.3	0	0	0	114.4	A123 F124 T128	A123-P126 WeakPolarHBondContact O-CD 3.38Å; F124-P126 VanDerWaalsContact C-N 3.32Å; P126-T128 PolarHBondContact O-N 3.03Å
127	L	91.8	Very high	92.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.246	C	C	.	.			trans	-80.8	61.1	-170.9	-59.2	179.4	0	0	0	112.1	F100 L103 L106 L109 F124 S125 K129 L130 P148	F100-L127 HydrophobicContact CB-CD1 4.24Å; F100-L127 HydrophobicContact CB-CD2 3.9Å; F100-L127 HydrophobicContact CB-CG 4.13Å; F100-L127 HydrophobicContact CD2-CD1 4.33Å; F100-L127 HydrophobicContact CG-CD1 4.31Å; L103-L127 HydrophobicContact CB-CD2 3.79Å; L103-L127 WeakPolarHBondContact O-CD2 3.44Å; L106-L127 HydrophobicContact CB-CD2 4.06Å; L106-L127 HydrophobicContact CD2-CD2 4.04Å; L109-L127 HydrophobicContact CD2-CD1 4.24Å; F124-L127 HydrophobicContact CB-CD1 4.43Å; F124-L127 HydrophobicContact CD1-CD1 3.79Å; F124-L127 WeakPolarHBondContact O-CB 3.38Å; F124-L127 PolarHBondContact O-N 2.92Å; S125-L127 VanDerWaalsContact C-N 3.26Å; S125-L127 PolarHBondContact O-N 3.23Å; L127-K129 PolarHBondContact O-N 3.16Å; L127-K129 VanDerWaalsContact O-N 3.13Å; L127-L130 HydrophobicContact CB-CB 3.95Å; L127-L130 HydrophobicContact CB-CD2 4.42Å; L127-L130 HydrophobicContact CD1-CD1 4.46Å; L127-L130 HydrophobicContact CD1-CD2 3.91Å; L127-L130 WeakPolarHBondContact O-CB 3.36Å; L127-L130 PolarHBondContact O-N 3.28Å; L127-P148 HydrophobicContact CB-CG 4.23Å; L127-P148 WeakPolarHBondContact O-CB 3.25Å
128	T	89.3	Confident	92.1	Very high	92 Å²	92	45.8 Å²	45.8	56%	0.564	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-20.4	-171.4	57.8	0	0	0	0	115	P126 S150	P126-T128 PolarHBondContact O-N 3.03Å; T128-S150 VanDerWaalsContact C-OG 3.32Å; T128-S150 VanDerWaalsContact O-CB 3.24Å; T128-S150 WeakPolarHBondContact O-CB 3.08Å; T128-S150 PolarHBondContact O-OG 2.85Å
129	K	92.3	Very high	92.2	Very high	117 Å²	117	45.5 Å²	45.5	51%	0.509	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	6.5	179.2	-66.6	-174.8	178.6	-179.5	0	114.3	L106 L127 Q131	L106-K129 CarbonylContact O-C 3.53Å; L127-K129 PolarHBondContact O-N 3.16Å; L127-K129 VanDerWaalsContact O-N 3.13Å; K129-Q131 PolarHBondContact O-N 3.41Å
130	L	92.6	Very high	92.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.22	C	C	.	.			trans	-67.1	123.1	-175.8	-165.1	74.6	0	0	0	111	L106 L109 L127 L133 P148 S150 L151	L106-L130 HydrophobicContact CB-CD1 4.4Å; L106-L130 HydrophobicContact CD2-CD1 4.02Å; L106-L130 HydrophobicContact CG-CD1 4.09Å; L106-L130 VanDerWaalsContact O-CA 3.26Å; L106-L130 WeakPolarHBondContact O-CA 3.24Å; L106-L130 PolarHBondContact O-N 2.86Å; L106-L130 VanDerWaalsContact O-N 3.14Å; L109-L130 HydrophobicContact CB-CD1 3.91Å; L127-L130 HydrophobicContact CB-CB 3.95Å; L127-L130 HydrophobicContact CB-CD2 4.42Å; L127-L130 HydrophobicContact CD1-CD1 4.46Å; L127-L130 HydrophobicContact CD1-CD2 3.91Å; L127-L130 WeakPolarHBondContact O-CB 3.36Å; L127-L130 PolarHBondContact O-N 3.28Å; L130-L133 HydrophobicContact CD2-CB 4.15Å; L130-L133 HydrophobicContact CD2-CD1 4.37Å; L130-P148 HydrophobicContact CB-CB 4.31Å; L130-P148 HydrophobicContact CB-CG 4.2Å; L130-P148 HydrophobicContact CD2-CG 4.06Å; L130-S150 PolarHBondContact N-OG 3.28Å; L130-S150 CarbonylContact O-C 3.48Å; L130-S150 PolarHBondContact O-OG 3.2Å; L130-S150 VanDerWaalsContact O-OG 3.14Å; L130-L151 HydrophobicContact CD2-CD1 4.02Å; L130-L151 HydrophobicContact CG-CD1 4.16Å; L130-L151 VanDerWaalsContact O-CA 3.25Å; L130-L151 WeakPolarHBondContact O-CA 3.4Å; L130-L151 PolarHBondContact O-N 2.94Å; L130-L151 VanDerWaalsContact O-N 3.12Å
131	Q	91.5	Very high	92	Very high	70 Å²	70	46.9 Å²	46.9	33%	0.327	23%	0.23	S	C	.	.			trans	-106.6	-33.8	179.2	-66.4	177.3	-10.8	0	0	111.7	H107 K129 Q152 E153	H107-Q131 PolarHBondContact O-N 2.81Å; K129-Q131 PolarHBondContact O-N 3.41Å; Q131-Q152 HydrophobicContact CB-CB 4.47Å; Q131-Q152 HydrophobicContact CB-CG 4.35Å; Q131-Q152 HydrophobicContact CG-CG 4.41Å; Q131-Q152 WeakPolarHBondContact O-CA 3.26Å; Q131-Q152 PolarHBondContact O-N 3.48Å; Q131-E153 PolarHBondContact O-N 2.89Å
132	R	92.3	Very high	92	Very high	96 Å²	96	49.8 Å²	49.8	36%	0.362	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	124.4	-175.9	-63.4	-177.1	-79.8	137.9	-3.2	110.6	H107 A108 L109 Y134 E153	H107-R132 PolarHBondContact O-N 3.23Å; A108-R132 WeakPolarHBondContact CA-O 3.15Å; A108-R132 HydrophobicContact CB-CB 4.12Å; L109-R132 PolarHBondContact N-O 3.01Å; R132-Y134 HydrophobicContact CB-CE1 4.32Å; R132-E153 HydrophobicContact CG-CB 4.04Å
133	L	93.1	Very high	92	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	117.6	173.7	-178.1	63.8	0	0	0	110.4	L109 F124 L130 L135 M147 L151 E153 L154 R155	L109-L133 HydrophobicContact CB-CD1 3.81Å; L109-L133 HydrophobicContact CD2-CD1 3.68Å; L109-L133 HydrophobicContact CG-CD1 3.75Å; F124-L133 HydrophobicContact CD2-CD2 4.4Å; F124-L133 HydrophobicContact CE1-CD1 4.39Å; F124-L133 HydrophobicContact CE1-CD2 4.48Å; F124-L133 HydrophobicContact CE2-CD2 3.94Å; F124-L133 HydrophobicContact CZ-CD1 4.39Å; F124-L133 HydrophobicContact CZ-CD2 3.99Å; L130-L133 HydrophobicContact CD2-CB 4.15Å; L130-L133 HydrophobicContact CD2-CD1 4.37Å; L133-L135 HydrophobicContact CD1-CG 4.22Å; L133-L135 HydrophobicContact CD2-CD1 3.63Å; L133-L135 HydrophobicContact CD2-CG 4.15Å; L133-L135 HydrophobicContact CG-CD1 4.02Å; L133-L135 HydrophobicContact CG-CG 3.99Å; L133-M147 HydrophobicContact CB-CE 4.49Å; L133-M147 HydrophobicContact CD2-CE 3.25Å; L133-M147 HydrophobicContact CD2-SD 3.85Å; L133-M147 HydrophobicContact CG-CE 4.44Å; L133-L151 HydrophobicContact CB-CD1 3.76Å; L133-E153 PolarHBondContact N-O 3.03Å; L133-L154 HydrophobicContact CB-CD1 4.17Å; L133-L154 HydrophobicContact CD2-CD1 4.11Å; L133-L154 HydrophobicContact CG-CD1 4.25Å; L133-R155 PolarHBondContact O-N 3.09Å
134	Y	94.4	Very high	91.8	Very high	33 Å²	33	45.2 Å²	45.2	13%	0.129	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	109.6	177.4	-55.7	-24.7	0	0	0	110	L109 I110 L111 R132 E153 R155	L109-Y134 PolarHBondContact O-N 2.94Å; I110-Y134 HydrophobicContact CG1-CD2 4.04Å; I110-Y134 HydrophobicContact CG2-CD2 4.39Å; L111-Y134 CarbonylContact C-O 3.51Å; L111-Y134 WeakPolarHBondContact CA-O 3.37Å; L111-Y134 PolarHBondContact N-O 3.45Å; R132-Y134 HydrophobicContact CB-CE1 4.32Å; Y134-E153 HydrophobicContact CE1-CG 4.09Å; Y134-E153 PolarHBondContact OH-OE2 2.92Å; Y134-R155 HydrophobicContact CD1-CB 3.77Å; Y134-R155 HydrophobicContact CD1-CG 3.66Å; Y134-R155 HydrophobicContact CE1-CB 4.42Å; Y134-R155 HydrophobicContact CE1-CG 3.8Å; Y134-R155 HydrophobicContact CG-CB 4.47Å
135	L	93.8	Very high	91.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.236	C	C	.	.			trans	-115.1	21.4	179.1	-72.9	168.4	0	0	0	111.6	L111 I116 I119 F124 L133 N138 L140 P144 R155 I156 N159	L111-L135 HydrophobicContact CB-CD2 3.96Å; L111-L135 HydrophobicContact CD1-CD2 3.77Å; I116-L135 HydrophobicContact CD1-CD2 4.21Å; I119-L135 HydrophobicContact CD1-CD1 3.99Å; I119-L135 HydrophobicContact CD1-CD2 4.08Å; F124-L135 HydrophobicContact CE2-CD1 4.47Å; F124-L135 HydrophobicContact CZ-CD1 4.43Å; L133-L135 HydrophobicContact CD1-CG 4.22Å; L133-L135 HydrophobicContact CD2-CD1 3.63Å; L133-L135 HydrophobicContact CD2-CG 4.15Å; L133-L135 HydrophobicContact CG-CD1 4.02Å; L133-L135 HydrophobicContact CG-CG 3.99Å; L135-N138 PolarHBondContact O-ND2 2.88Å; L135-L140 HydrophobicContact CB-CD1 4.07Å; L135-L140 HydrophobicContact CD1-CD1 4.17Å; L135-P144 HydrophobicContact CD1-CG 4.03Å; L135-R155 PolarHBondContact N-O 3.1Å; L135-I156 HydrophobicContact CB-CD1 4.38Å; L135-I156 HydrophobicContact CB-CG1 4.08Å; L135-I156 HydrophobicContact CD1-CD1 4.35Å; L135-N159 PolarHBondContact O-ND2 3.47Å
136	S	93.5	Very high	91.2	Very high	2 Å²	2	49 Å²	49	1%	0.014	24%	0.241	C	C	.	.			trans	-73.4	153.5	-173.3	-55	0	0	0	0	112.6	V112 N113 N138 R155 H157	V112-S136 CarbonylContact C-O 3.35Å; V112-S136 VanDerWaalsContact CA-O 3.26Å; V112-S136 WeakPolarHBondContact CA-O 3.47Å; N113-S136 PolarHBondContact N-O 3.19Å; S136-N138 PolarHBondContact O-ND2 3.06Å; S136-R155 VanDerWaalsContact OG-C 3.28Å; S136-R155 WeakPolarHBondContact OG-CB 3.47Å; S136-R155 PolarHBondContact OG-O 3.22Å; S136-H157 CarbonylContact C-O 3.17Å; S136-H157 WeakPolarHBondContact CA-O 3.33Å; S136-H157 WeakPolarHBondContact CB-CD2 3.47Å; S136-H157 WeakPolarHBondContact CB-NE2 3.45Å; S136-H157 WeakPolarHBondContact CB-O 3.25Å; S136-H157 PolarHBondContact OG-CD2 2.91Å; S136-H157 PolarHBondContact OG-N 2.77Å
137	K	94.2	Very high	91	Very high	83 Å²	83	48 Å²	48	36%	0.361	23%	0.233	S	C	.	.	S	Bend	trans	56.4	58.6	-175.2	-49.6	-162.9	176.2	-154.1	0	111.8	N113 N114 H157 E158	N113-K137 VanDerWaalsContact CA-O 3.23Å; N113-K137 WeakPolarHBondContact CA-O 3.33Å; N113-K137 HydrophobicContact CB-CB 4.24Å; N113-K137 PolarHBondContact N-O 3.39Å; N114-K137 PolarHBondContact N-O 3.13Å; K137-H157 PolarHBondContact N-O 3.41Å; K137-E158 WeakPolarHBondContact CA-O 3.15Å; K137-E158 WeakPolarHBondContact CD-OE2 3.25Å; K137-E158 VanDerWaalsContact CE-OE1 3.29Å; K137-E158 WeakPolarHBondContact CE-OE1 3.2Å; K137-E158 WeakPolarHBondContact CE-OE2 3.46Å; K137-E158 HydrophobicContact CG-CB 4.02Å; K137-E158 WeakPolarHBondContact CG-OE2 3.44Å; K137-E158 PolarHBondContact N-O 2.78Å; K137-E158 IonicContact NZ-OE1 3.79Å; K137-E158 IonicContact NZ-OE2 3.46Å; K137-E158 PolarHBondContact NZ-OE2 2.89Å
138	N	95.4	Very high	90.7	Very high	9 Å²	9	48.5 Å²	48.5	5%	0.048	24%	0.237	C	C	.	.	S	Bend	trans	-131.1	-173	175.3	-82.8	-74	0	0	0	109.3	L111 N114 K115 I116 L135 S136 L140 E158 N159	L111-N138 PolarHBondContact O-ND2 2.78Å; N114-N138 VanDerWaalsContact CA-OD1 3.3Å; N114-N138 WeakPolarHBondContact CA-OD1 3.19Å; N114-N138 WeakPolarHBondContact CB-OD1 3.17Å; N114-N138 PolarHBondContact N-OD1 3.23Å; N114-N138 PolarHBondContact O-OD1 3.48Å; K115-N138 PolarHBondContact N-OD1 3.24Å; I116-N138 HydrophobicContact CB-CB 4.26Å; I116-N138 WeakPolarHBondContact CB-OD1 3.5Å; I116-N138 VanDerWaalsContact CG1-OD1 3.28Å; I116-N138 WeakPolarHBondContact CG1-OD1 3.38Å; I116-N138 PolarHBondContact N-OD1 2.82Å; L135-N138 PolarHBondContact O-ND2 2.88Å; S136-N138 PolarHBondContact O-ND2 3.06Å; N138-L140 HydrophobicContact CB-CG 4.31Å; N138-E158 PolarHBondContact N-O 3Å; N138-E158 VanDerWaalsContact N-O 3.12Å; N138-N159 WeakPolarHBondContact CA-OD1 3.09Å; N138-N159 WeakPolarHBondContact CB-OD1 3.47Å; N138-N159 WeakPolarHBondContact O-CA 3.37Å; N138-N159 PolarHBondContact O-OD1 3.48Å
139	M	95	Very high	90.6	Very high	72 Å²	72	51.3 Å²	51.3	36%	0.355	24%	0.241	S	C	.	.			trans	-117	36.6	-178.7	-59.2	-177.1	-51.7	0	0	110.9	K115 I116 T117 K141 N159	K115-M139 HydrophobicContact CB-CE 3.84Å; K115-M139 WeakPolarHBondContact O-CE 3.38Å; I116-M139 CarbonylContact O-C 3.57Å; I116-M139 WeakPolarHBondContact O-CA 3.28Å; I116-M139 PolarHBondContact O-N 3.26Å; T117-M139 HydrophobicContact CG2-CB 4.01Å; T117-M139 HydrophobicContact CG2-CE 3.54Å; M139-K141 PolarHBondContact O-N 3.13Å; M139-N159 PolarHBondContact N-OD1 3.42Å
140	L	93.3	Very high	90.3	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.021	23%	0.226	C	C	.	.			trans	-72.3	127	-178.3	-65.1	170.4	0	0	0	110.4	I116 I119 L135 N138 I156 N159 E160 I161	I116-L140 HydrophobicContact CB-CD2 4.44Å; I116-L140 HydrophobicContact CG2-CD2 3.8Å; I116-L140 PolarHBondContact O-N 2.85Å; I119-L140 HydrophobicContact CD1-CD1 4.06Å; I119-L140 HydrophobicContact CD1-CD2 3.68Å; I119-L140 HydrophobicContact CG1-CD2 3.86Å; L135-L140 HydrophobicContact CB-CD1 4.07Å; L135-L140 HydrophobicContact CD1-CD1 4.17Å; N138-L140 HydrophobicContact CB-CG 4.31Å; L140-I156 HydrophobicContact CD1-CD1 3.76Å; L140-I156 HydrophobicContact CD1-CG1 4.13Å; L140-N159 HydrophobicContact CB-CB 4.35Å; L140-N159 VanDerWaalsContact CB-OD1 3.25Å; L140-N159 WeakPolarHBondContact CB-OD1 3.32Å; L140-N159 WeakPolarHBondContact CG-OD1 3.11Å; L140-N159 PolarHBondContact N-OD1 3Å; L140-E160 CarbonylContact O-C 3.16Å; L140-E160 VanDerWaalsContact O-CA 3.25Å; L140-E160 WeakPolarHBondContact O-CA 3.3Å; L140-E160 PolarHBondContact O-N 2.94Å; L140-I161 HydrophobicContact CB-CG1 4.46Å; L140-I161 WeakPolarHBondContact O-CG1 3.39Å; L140-I161 PolarHBondContact O-N 3.18Å; L140-I161 VanDerWaalsContact O-N 3.1Å
141	K	90.3	Very high	90	Very high	131 Å²	131	47.1 Å²	47.1	57%	0.57	23%	0.227	S	C	*	.	S	Bend	trans	-89.5	-22.3	180	-65	-176.9	179	179.5	0	114	M139 E160 I161 T162	M139-K141 PolarHBondContact O-N 3.13Å; K141-E160 WeakPolarHBondContact CA-O 3.34Å; K141-E160 HydrophobicContact CG-CB 4.35Å; K141-I161 WeakPolarHBondContact O-CA 3.23Å; K141-T162 PolarHBondContact O-N 2.91Å
142	E	88.4	Confident	89.9	Confident	125 Å²	125	47.1 Å²	47.1	58%	0.584	23%	0.226	S	C	*	.	B	Isolated β-bridge	trans	-142	159.1	-179.2	62.5	178.2	-179.1	0	0	111.6
143	M	88.3	Confident	89.7	Confident	10 Å²	10	44 Å²	44	5%	0.049	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-66.8	135.9	175.1	-72.8	-66.1	-60.5	0	0	111	A145 L154 I156 I161 I164 F169 L181	M143-A145 PolarHBondContact O-N 2.78Å; M143-L154 HydrophobicContact CE-CD2 3.88Å; M143-I156 HydrophobicContact SD-CD1 4.13Å; M143-I156 HydrophobicContact SD-CG2 4.31Å; M143-I161 HydrophobicContact CG-CG2 4.3Å; M143-I161 HydrophobicContact SD-CD1 3.83Å; M143-I164 HydrophobicContact CG-CG1 4.09Å; M143-F169 HydrophobicContact CE-CE1 3.69Å; M143-F169 HydrophobicContact CE-CZ 3.56Å; M143-L181 HydrophobicContact SD-CD2 3.81Å
144	P	87.5	Confident	89.5	Confident	8 Å²	8	44.1 Å²	44.1	5%	0.052	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-58	136.7	175.3	-21.9	32	0	0	0	111.9	I119 F124 L135 M147	I119-P144 HydrophobicContact CD1-CG 3.99Å; F124-P144 HydrophobicContact CD2-CB 4.43Å; F124-P144 HydrophobicContact CE2-CB 4.12Å; F124-P144 HydrophobicContact CE2-CG 4.41Å; L135-P144 HydrophobicContact CD1-CG 4.03Å; P144-M147 HydrophobicContact CB-CG 4.25Å; P144-M147 HydrophobicContact CB-SD 3.85Å; P144-M147 HydrophobicContact CG-SD 4.39Å
145	A	84.3	Confident	89.3	Confident	44 Å²	44	46.9 Å²	46.9	36%	0.364	23%	0.227	S	C	.	.	S	Bend	trans	-85.3	156.3	174.3	0	0	0	0	0	111.5	P121 M143 M147	P121-A145 HydrophobicContact CB-CB 4.35Å; M143-A145 PolarHBondContact O-N 2.78Å; A145-M147 VanDerWaalsContact C-N 3.34Å; A145-M147 PolarHBondContact O-N 3.07Å
146	N	82.9	Confident	89.2	Confident	99 Å²	99	46.9 Å²	46.9	53%	0.529	23%	0.227	S	C	.	.	S	Bend	trans	54.6	44.2	174.8	-49.2	-47.5	0	0	0	114.3	P121	P121-N146 WeakPolarHBondContact O-CB 3.09Å; P121-N146 PolarHBondContact O-ND2 3.46Å
147	M	86.1	Confident	89	Confident	13 Å²	13	48.8 Å²	48.8	6%	0.064	24%	0.235	C	C	.	.			trans	-60.2	149.9	175.8	-73.9	-71.1	-72.2	0	0	112.1	F124 L133 P144 A145 K149 L151 L154 M172	F124-M147 HydrophobicContact CD2-SD 3.57Å; F124-M147 VanDerWaalsContact CD2-SD 3.57Å; F124-M147 HydrophobicContact CE2-SD 3.98Å; F124-M147 HydrophobicContact CG-SD 4.47Å; L133-M147 HydrophobicContact CB-CE 4.49Å; L133-M147 HydrophobicContact CD2-CE 3.25Å; L133-M147 HydrophobicContact CD2-SD 3.85Å; L133-M147 HydrophobicContact CG-CE 4.44Å; P144-M147 HydrophobicContact CB-CG 4.25Å; P144-M147 HydrophobicContact CB-SD 3.85Å; P144-M147 HydrophobicContact CG-SD 4.39Å; A145-M147 VanDerWaalsContact C-N 3.34Å; A145-M147 PolarHBondContact O-N 3.07Å; M147-K149 PolarHBondContact O-N 3.05Å; M147-L151 HydrophobicContact CE-CD2 3.38Å; M147-L154 HydrophobicContact CE-CD1 3.9Å; M147-L154 HydrophobicContact CE-CD2 4.34Å; M147-M172 HydrophobicContact CB-CE 4.23Å; M147-M172 HydrophobicContact CB-SD 3.6Å; M147-M172 VanDerWaalsContact CB-SD 3.6Å
148	P	86.9	Confident	88.8	Confident	10 Å²	10	48.6 Å²	48.6	7%	0.065	24%	0.236	C	C	.	.			trans	-60.1	133.1	-179.6	-22.9	34	0	0	0	112	F124 L127 L130 S150 L151	F124-P148 HydrophobicContact CB-CG 4Å; L127-P148 HydrophobicContact CB-CG 4.23Å; L127-P148 WeakPolarHBondContact O-CB 3.25Å; L130-P148 HydrophobicContact CB-CB 4.31Å; L130-P148 HydrophobicContact CB-CG 4.2Å; L130-P148 HydrophobicContact CD2-CG 4.06Å; P148-S150 PolarHBondContact O-N 2.99Å; P148-L151 VanDerWaalsContact O-CB 3.28Å; P148-L151 WeakPolarHBondContact O-CB 3.47Å; P148-L151 PolarHBondContact O-N 3.14Å; P148-L151 VanDerWaalsContact O-N 3.16Å
149	K	85.6	Confident	88.7	Confident	151 Å²	151	48.6 Å²	48.6	66%	0.657	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-16.5	-179.5	-60.2	-177.3	-177.1	177.1	0	113.8	M147 L151 Q174	M147-K149 PolarHBondContact O-N 3.05Å; K149-L151 VanDerWaalsContact C-N 3.32Å; K149-Q174 WeakPolarHBondContact O-CB 3.31Å
150	S	86.9	Confident	88.6	Confident	29 Å²	29	49.4 Å²	49.4	20%	0.203	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-6.7	177.8	42.4	0	0	0	0	113.7	T128 L130 P148 Q152	T128-S150 VanDerWaalsContact C-OG 3.32Å; T128-S150 VanDerWaalsContact O-CB 3.24Å; T128-S150 WeakPolarHBondContact O-CB 3.08Å; T128-S150 PolarHBondContact O-OG 2.85Å; L130-S150 PolarHBondContact N-OG 3.28Å; L130-S150 CarbonylContact O-C 3.48Å; L130-S150 PolarHBondContact O-OG 3.2Å; L130-S150 VanDerWaalsContact O-OG 3.14Å; P148-S150 PolarHBondContact O-N 2.99Å; S150-Q152 PolarHBondContact O-N 2.87Å
151	L	87.4	Confident	88.5	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.005	24%	0.238	C	C	.	.			trans	-61.8	132.7	-176.9	-159.7	76.7	0	0	0	110.5	L130 L133 M147 P148 K149 L154 Q174 V175	L130-L151 HydrophobicContact CD2-CD1 4.02Å; L130-L151 HydrophobicContact CG-CD1 4.16Å; L130-L151 VanDerWaalsContact O-CA 3.25Å; L130-L151 WeakPolarHBondContact O-CA 3.4Å; L130-L151 PolarHBondContact O-N 2.94Å; L130-L151 VanDerWaalsContact O-N 3.12Å; L133-L151 HydrophobicContact CB-CD1 3.76Å; M147-L151 HydrophobicContact CE-CD2 3.38Å; P148-L151 VanDerWaalsContact O-CB 3.28Å; P148-L151 WeakPolarHBondContact O-CB 3.47Å; P148-L151 PolarHBondContact O-N 3.14Å; P148-L151 VanDerWaalsContact O-N 3.16Å; K149-L151 VanDerWaalsContact C-N 3.32Å; L151-L154 HydrophobicContact CD2-CB 3.89Å; L151-L154 HydrophobicContact CD2-CD1 4.36Å; L151-L154 HydrophobicContact CD2-CG 4.49Å; L151-Q174 CarbonylContact O-C 3.5Å; L151-V175 VanDerWaalsContact O-CA 3.25Å; L151-V175 WeakPolarHBondContact O-CA 3.28Å; L151-V175 WeakPolarHBondContact O-CG2 3.45Å; L151-V175 PolarHBondContact O-N 3.12Å
152	Q	87.9	Confident	88.5	Confident	69 Å²	69	46.1 Å²	46.1	32%	0.322	23%	0.23	S	C	.	.			trans	-111.6	-33.8	178.4	-64.9	-178.4	29.2	0	0	111.5	Q131 S150 I176 V177	Q131-Q152 HydrophobicContact CB-CB 4.47Å; Q131-Q152 HydrophobicContact CB-CG 4.35Å; Q131-Q152 HydrophobicContact CG-CG 4.41Å; Q131-Q152 WeakPolarHBondContact O-CA 3.26Å; Q131-Q152 PolarHBondContact O-N 3.48Å; S150-Q152 PolarHBondContact O-N 2.87Å; Q152-I176 HydrophobicContact CG-CD1 4.44Å; Q152-I176 PolarHBondContact O-N 3.38Å; Q152-V177 CarbonylContact O-C 3.03Å; Q152-V177 PolarHBondContact O-N 3.36Å
153	E	88.3	Confident	88.5	Confident	31 Å²	31	46.2 Å²	46.2	15%	0.145	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	127.6	-178.6	-163	-176.8	-179	0	0	111.9	Q131 R132 L133 Y134 R155 V177	Q131-E153 PolarHBondContact O-N 2.89Å; R132-E153 HydrophobicContact CG-CB 4.04Å; L133-E153 PolarHBondContact N-O 3.03Å; Y134-E153 HydrophobicContact CE1-CG 4.09Å; Y134-E153 PolarHBondContact OH-OE2 2.92Å; E153-R155 IonicContact OE1-CZ 3.95Å; E153-R155 IonicContact OE1-NE 3.81Å; E153-R155 PolarHBondContact OE1-NE 3.31Å; E153-R155 IonicContact OE1-NH2 3.19Å; E153-R155 PolarHBondContact OE1-NH2 3.13Å; E153-V177 VanDerWaalsContact CA-O 3.27Å; E153-V177 WeakPolarHBondContact CA-O 3.3Å; E153-V177 HydrophobicContact CG-CB 4.26Å; E153-V177 HydrophobicContact CG-CG1 4.14Å
154	L	89.1	Confident	88.5	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	120.4	174.3	179.2	59.3	0	0	0	110.1	L133 M143 M147 L151 M178 A179	L133-L154 HydrophobicContact CB-CD1 4.17Å; L133-L154 HydrophobicContact CD2-CD1 4.11Å; L133-L154 HydrophobicContact CG-CD1 4.25Å; M143-L154 HydrophobicContact CE-CD2 3.88Å; M147-L154 HydrophobicContact CE-CD1 3.9Å; M147-L154 HydrophobicContact CE-CD2 4.34Å; L151-L154 HydrophobicContact CD2-CB 3.89Å; L151-L154 HydrophobicContact CD2-CD1 4.36Å; L151-L154 HydrophobicContact CD2-CG 4.49Å; L154-M178 HydrophobicContact CB-CG 4.18Å; L154-A179 WeakPolarHBondContact O-CA 3.28Å; L154-A179 PolarHBondContact O-N 3.1Å
155	R	91.1	Very high	88.5	Confident	91 Å²	91	50.5 Å²	50.5	34%	0.343	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	121.8	172.4	-59.4	-172.2	-171.8	-166.9	1.5	110.4	L133 Y134 L135 S136 E153	L133-R155 PolarHBondContact O-N 3.09Å; Y134-R155 HydrophobicContact CD1-CB 3.77Å; Y134-R155 HydrophobicContact CD1-CG 3.66Å; Y134-R155 HydrophobicContact CE1-CB 4.42Å; Y134-R155 HydrophobicContact CE1-CG 3.8Å; Y134-R155 HydrophobicContact CG-CB 4.47Å; L135-R155 PolarHBondContact N-O 3.1Å; S136-R155 VanDerWaalsContact OG-C 3.28Å; S136-R155 WeakPolarHBondContact OG-CB 3.47Å; S136-R155 PolarHBondContact OG-O 3.22Å; E153-R155 IonicContact OE1-CZ 3.95Å; E153-R155 IonicContact OE1-NE 3.81Å; E153-R155 PolarHBondContact OE1-NE 3.31Å; E153-R155 IonicContact OE1-NH2 3.19Å; E153-R155 PolarHBondContact OE1-NH2 3.13Å
156	I	90.2	Very high	88.4	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.247	C	C	.	.			trans	-139.4	36.9	-177.4	-159.4	165.8	0	0	0	110.4	L135 L140 M143 N159 I161 E180 L181 N184	L135-I156 HydrophobicContact CB-CD1 4.38Å; L135-I156 HydrophobicContact CB-CG1 4.08Å; L135-I156 HydrophobicContact CD1-CD1 4.35Å; L140-I156 HydrophobicContact CD1-CD1 3.76Å; L140-I156 HydrophobicContact CD1-CG1 4.13Å; M143-I156 HydrophobicContact SD-CD1 4.13Å; M143-I156 HydrophobicContact SD-CG2 4.31Å; I156-N159 PolarHBondContact O-ND2 3.32Å; I156-I161 HydrophobicContact CD1-CD1 3.52Å; I156-I161 HydrophobicContact CG1-CD1 3.7Å; I156-I161 HydrophobicContact CG2-CD1 4.08Å; I156-E180 CarbonylContact C-O 3.52Å; I156-E180 VanDerWaalsContact C-O 3.31Å; I156-E180 PolarHBondContact N-O 3.18Å; I156-E180 VanDerWaalsContact N-O 3.09Å; I156-L181 HydrophobicContact CG2-CD2 3.35Å; I156-L181 HydrophobicContact CG2-CG 4.1Å; I156-N184 PolarHBondContact O-ND2 3.31Å; I156-N184 VanDerWaalsContact O-ND2 3.13Å
157	H	89.2	Confident	88.4	Confident	42 Å²	42	51 Å²	51	19%	0.194	25%	0.247	C	C	.	.			trans	-69.3	156.9	178.6	82.7	78.8	0	0	0	110.7	S136 K137 N159 E180 G182	S136-H157 CarbonylContact C-O 3.17Å; S136-H157 WeakPolarHBondContact CA-O 3.33Å; S136-H157 WeakPolarHBondContact CB-CD2 3.47Å; S136-H157 WeakPolarHBondContact CB-NE2 3.45Å; S136-H157 WeakPolarHBondContact CB-O 3.25Å; S136-H157 PolarHBondContact OG-CD2 2.91Å; S136-H157 PolarHBondContact OG-N 2.77Å; K137-H157 PolarHBondContact N-O 3.41Å; H157-N159 PolarHBondContact O-ND2 3.3Å; H157-N159 VanDerWaalsContact O-ND2 3.16Å; H157-E180 HydrophobicContact CB-CB 4.29Å; H157-E180 IonicContact CD2-OE2 3.97Å; H157-E180 PolarHBondContact N-O 3.4Å; H157-E180 VanDerWaalsContact N-O 3.1Å; H157-G182 CarbonylContact C-O 3.2Å; H157-G182 VanDerWaalsContact CA-O 3.26Å; H157-G182 WeakPolarHBondContact CA-O 3.44Å
158	E	90.9	Very high	88.2	Confident	80 Å²	80	51 Å²	51	37%	0.374	25%	0.248	S	C	.	.	S	Bend	trans	52.2	65.4	179.3	-69.8	173.8	-129.9	0	0	111.9	K137 N138 G182 S183	K137-E158 WeakPolarHBondContact CA-O 3.15Å; K137-E158 WeakPolarHBondContact CD-OE2 3.25Å; K137-E158 VanDerWaalsContact CE-OE1 3.29Å; K137-E158 WeakPolarHBondContact CE-OE1 3.2Å; K137-E158 WeakPolarHBondContact CE-OE2 3.46Å; K137-E158 HydrophobicContact CG-CB 4.02Å; K137-E158 WeakPolarHBondContact CG-OE2 3.44Å; K137-E158 PolarHBondContact N-O 2.78Å; K137-E158 IonicContact NZ-OE1 3.79Å; K137-E158 IonicContact NZ-OE2 3.46Å; K137-E158 PolarHBondContact NZ-OE2 2.89Å; N138-E158 PolarHBondContact N-O 3Å; N138-E158 VanDerWaalsContact N-O 3.12Å; E158-G182 PolarHBondContact N-O 3.24Å; E158-S183 WeakPolarHBondContact CA-O 3.44Å
159	N	93	Very high	87.9	Confident	8 Å²	8	50.5 Å²	50.5	4%	0.043	25%	0.245	C	C	.	.	S	Bend	trans	-133.7	-176.7	174.6	-87.2	-87	0	0	0	109.8	L135 N138 M139 L140 I156 H157 I161 S183 N184 P185	L135-N159 PolarHBondContact O-ND2 3.47Å; N138-N159 WeakPolarHBondContact CA-OD1 3.09Å; N138-N159 WeakPolarHBondContact CB-OD1 3.47Å; N138-N159 WeakPolarHBondContact O-CA 3.37Å; N138-N159 PolarHBondContact O-OD1 3.48Å; M139-N159 PolarHBondContact N-OD1 3.42Å; L140-N159 HydrophobicContact CB-CB 4.35Å; L140-N159 VanDerWaalsContact CB-OD1 3.25Å; L140-N159 WeakPolarHBondContact CB-OD1 3.32Å; L140-N159 WeakPolarHBondContact CG-OD1 3.11Å; L140-N159 PolarHBondContact N-OD1 3Å; I156-N159 PolarHBondContact O-ND2 3.32Å; H157-N159 PolarHBondContact O-ND2 3.3Å; H157-N159 VanDerWaalsContact O-ND2 3.16Å; N159-I161 HydrophobicContact CB-CD1 4.2Å; N159-I161 HydrophobicContact CB-CG1 4.09Å; N159-S183 PolarHBondContact N-O 3.35Å; N159-N184 VanDerWaalsContact CA-OD1 3.28Å; N159-N184 WeakPolarHBondContact CA-OD1 3.05Å; N159-N184 WeakPolarHBondContact CB-OD1 2.9Å; N159-N184 PolarHBondContact N-OD1 2.91Å; N159-N184 PolarHBondContact O-OD1 3.27Å; N159-P185 WeakPolarHBondContact O-CD 3.26Å
160	E	93	Very high	87.7	Confident	89 Å²	89	49.8 Å²	49.8	42%	0.416	24%	0.244	S	C	.	.			trans	-104.3	29	179.6	-63.2	-174.5	-178.3	0	0	112.5	L140 K141 T162 N184	L140-E160 CarbonylContact O-C 3.16Å; L140-E160 VanDerWaalsContact O-CA 3.25Å; L140-E160 WeakPolarHBondContact O-CA 3.3Å; L140-E160 PolarHBondContact O-N 2.94Å; K141-E160 WeakPolarHBondContact CA-O 3.34Å; K141-E160 HydrophobicContact CG-CB 4.35Å; E160-T162 PolarHBondContact O-N 3.5Å; E160-N184 PolarHBondContact N-OD1 3.19Å
161	I	91.1	Very high	87.1	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.251	C	S	.	.			trans	-70.3	121.7	-172	-60.2	168.6	0	0	0	110.2	L140 K141 M143 I156 N159 I164 L181 N184 L186	L140-I161 HydrophobicContact CB-CG1 4.46Å; L140-I161 WeakPolarHBondContact O-CG1 3.39Å; L140-I161 PolarHBondContact O-N 3.18Å; L140-I161 VanDerWaalsContact O-N 3.1Å; K141-I161 WeakPolarHBondContact O-CA 3.23Å; M143-I161 HydrophobicContact CG-CG2 4.3Å; M143-I161 HydrophobicContact SD-CD1 3.83Å; I156-I161 HydrophobicContact CD1-CD1 3.52Å; I156-I161 HydrophobicContact CG1-CD1 3.7Å; I156-I161 HydrophobicContact CG2-CD1 4.08Å; N159-I161 HydrophobicContact CB-CD1 4.2Å; N159-I161 HydrophobicContact CB-CG1 4.09Å; I161-I164 HydrophobicContact CG2-CG1 4.35Å; I161-L181 HydrophobicContact CD1-CD2 4.4Å; I161-N184 HydrophobicContact CB-CB 4.26Å; I161-N184 VanDerWaalsContact CB-OD1 3.23Å; I161-N184 WeakPolarHBondContact CB-OD1 3.37Å; I161-N184 WeakPolarHBondContact CG1-OD1 3.27Å; I161-N184 PolarHBondContact N-OD1 3.17Å; I161-L186 PolarHBondContact O-N 2.9Å
162	T	89.7	Confident	86.5	Confident	66 Å²	66	50.1 Å²	50.1	41%	0.405	25%	0.252	S	S	.	.			trans	-106.7	-21.4	179.7	56.6	0	0	0	0	113.6	K141 E160 P185 G190	K141-T162 PolarHBondContact O-N 2.91Å; E160-T162 PolarHBondContact O-N 3.5Å; T162-P185 HydrophobicContact CG2-CG 4.17Å; T162-G190 WeakPolarHBondContact O-CA 3.39Å
163	K	88.4	Confident	85.7	Confident	128 Å²	128	49.1 Å²	49.1	56%	0.557	25%	0.252	S	S	*	.	B	Isolated β-bridge	trans	-139.6	139	-174.3	-63.9	-179.6	-177.2	176.7	0	111.9	G190	K163-G190 CarbonylContact C-O 3.24Å; K163-G190 VanDerWaalsContact CA-O 3.28Å; K163-G190 WeakPolarHBondContact CA-O 3.46Å
164	I	88.6	Confident	84.7	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.005	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-125.4	112.1	175	-60.5	-176.2	0	0	0	107.7	M143 I161 F169 L181 L186 G190 V191 E192 A195 F196	M143-I164 HydrophobicContact CG-CG1 4.09Å; I161-I164 HydrophobicContact CG2-CG1 4.35Å; I164-F169 HydrophobicContact CG2-CD2 4.32Å; I164-F169 HydrophobicContact CG2-CE2 3.41Å; I164-F169 VanDerWaalsContact CG2-CE2 3.41Å; I164-F169 HydrophobicContact CG2-CZ 4.17Å; I164-L181 HydrophobicContact CD1-CD1 3.67Å; I164-L181 HydrophobicContact CD1-CD2 4.15Å; I164-L186 HydrophobicContact CD1-CD1 4.21Å; I164-L186 HydrophobicContact CD1-CD2 3.54Å; I164-L186 HydrophobicContact CG1-CD1 4Å; I164-L186 HydrophobicContact CG1-CD2 4.26Å; I164-G190 PolarHBondContact N-O 3.31Å; I164-V191 HydrophobicContact CD1-CG2 4.44Å; I164-E192 PolarHBondContact O-N 3.36Å; I164-A195 HydrophobicContact CG2-CB 3.99Å; I164-F196 HydrophobicContact CD1-CZ 4.16Å; I164-F196 HydrophobicContact CG2-CE1 4.46Å; I164-F196 HydrophobicContact CG2-CZ 4.29Å
165	K	87.3	Confident	83.6	Confident	106 Å²	106	51.4 Å²	51.4	46%	0.461	26%	0.263	S	S	.	.			trans	-94.9	152.1	179	-63.6	173.6	-177.1	165.8	0	110	A167 S168 E192	K165-A167 PolarHBondContact O-N 2.77Å; K165-S168 VanDerWaalsContact O-CB 3.32Å; K165-S168 WeakPolarHBondContact O-CB 3.27Å; K165-S168 PolarHBondContact O-N 3.25Å; K165-S168 VanDerWaalsContact O-N 3.13Å; K165-S168 PolarHBondContact O-OG 2.92Å; K165-E192 WeakPolarHBondContact CA-OE2 3.47Å
166	K	83.9	Confident	82.3	Confident	91 Å²	91	49.7 Å²	49.7	40%	0.396	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-59.1	-37.8	172.5	-176.4	-179	178.3	-177.5	0	112.2	S168 F169 Q170 E192	K166-S168 PolarHBondContact O-N 3.33Å; K166-F169 PolarHBondContact O-N 2.99Å; K166-Q170 PolarHBondContact O-N 3.41Å; K166-E192 PolarHBondContact N-OE2 3.23Å
167	A	82.5	Confident	81	Confident	62 Å²	62	52.6 Å²	52.6	51%	0.512	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-60.2	-25.5	178	0	0	0	0	0	113.4	K165 F169 Q170	K165-A167 PolarHBondContact O-N 2.77Å; A167-F169 PolarHBondContact O-N 2.88Å; A167-Q170 PolarHBondContact O-N 2.68Å
168	S	81.6	Confident	79.8	Confident	13 Å²	13	50.7 Å²	50.7	9%	0.091	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-64.7	-28	179.3	-59.3	0	0	0	0	112.8	K165 K166	K165-S168 VanDerWaalsContact O-CB 3.32Å; K165-S168 WeakPolarHBondContact O-CB 3.27Å; K165-S168 PolarHBondContact O-N 3.25Å; K165-S168 VanDerWaalsContact O-N 3.13Å; K165-S168 PolarHBondContact O-OG 2.92Å; K166-S168 PolarHBondContact O-N 3.33Å
169	F	81.1	Confident	78.3	Confident	1 Å²	1	47 Å²	47	0%	0.004	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-110.1	9.1	-179.1	-55	-73.7	0	0	0	113.9	M143 I164 K166 A167 G171 M172 M178 A195 F196 L199	M143-F169 HydrophobicContact CE-CE1 3.69Å; M143-F169 HydrophobicContact CE-CZ 3.56Å; I164-F169 HydrophobicContact CG2-CD2 4.32Å; I164-F169 HydrophobicContact CG2-CE2 3.41Å; I164-F169 VanDerWaalsContact CG2-CE2 3.41Å; I164-F169 HydrophobicContact CG2-CZ 4.17Å; K166-F169 PolarHBondContact O-N 2.99Å; A167-F169 PolarHBondContact O-N 2.88Å; F169-G171 PolarHBondContact O-N 3.19Å; F169-M172 HydrophobicContact CB-CE 3.99Å; F169-M172 HydrophobicContact CD1-CE 3.27Å; F169-M172 HydrophobicContact CE1-CE 4.14Å; F169-M172 HydrophobicContact CG-CE 4.05Å; F169-M172 WeakPolarHBondContact O-CB 3.43Å; F169-M172 PolarHBondContact O-N 3.44Å; F169-M178 HydrophobicContact CD1-CE 3.53Å; F169-M178 HydrophobicContact CD1-SD 3.46Å; F169-M178 WeakPolarHBondContact CD1-SD 3.26Å; F169-M178 HydrophobicContact CE1-CE 3.14Å; F169-M178 HydrophobicContact CE1-SD 3.38Å; F169-M178 WeakPolarHBondContact CE1-SD 3.45Å; F169-M178 HydrophobicContact CE2-CE 4.22Å; F169-M178 HydrophobicContact CG-CE 4.31Å; F169-M178 HydrophobicContact CZ-CE 3.52Å; F169-M178 HydrophobicContact CZ-SD 4.34Å; F169-A195 WeakPolarHBondContact CD2-O 3.5Å; F169-F196 HydrophobicContact CD2-CD1 4.25Å; F169-F196 HydrophobicContact CD2-CE1 4.43Å; F169-F196 AromaticContact CE2-CD1 3.89Å; F169-F196 HydrophobicContact CE2-CD1 3.89Å; F169-F196 AromaticContact CE2-CE1 3.63Å; F169-F196 HydrophobicContact CE2-CE1 3.63Å; F169-F196 HydrophobicContact CZ-CD1 4.37Å; F169-F196 AromaticContact CZ-CE1 3.94Å; F169-F196 HydrophobicContact CZ-CE1 3.94Å; F169-L199 HydrophobicContact CB-CD2 4.1Å; F169-L199 HydrophobicContact CB-CG 4.33Å; F169-L199 HydrophobicContact CD1-CD1 4.45Å; F169-L199 HydrophobicContact CD1-CD2 4.33Å; F169-L199 HydrophobicContact CG-CD1 4.47Å; F169-L199 HydrophobicContact CG-CD2 4.5Å
170	Q	80	Confident	77.1	Confident	135 Å²	135	49.2 Å²	49.2	63%	0.631	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	125.4	-173.3	-172.1	176.6	-3.8	0	0	111.8	K166 A167 M172	K166-Q170 PolarHBondContact O-N 3.41Å; A167-Q170 PolarHBondContact O-N 2.68Å; Q170-M172 VanDerWaalsContact C-N 3.28Å; Q170-M172 PolarHBondContact O-N 3.35Å
171	G	75.3	Confident	76.4	Confident	35 Å²	35	45 Å²	45	36%	0.361	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	7.3	177	0	0	0	0	0	115.5	F169 S173	F169-G171 PolarHBondContact O-N 3.19Å; G171-S173 VanDerWaalsContact C-N 3.32Å; G171-S173 PolarHBondContact O-N 3.46Å; G171-S173 VanDerWaalsContact O-N 3.08Å
172	M	75	Confident	75.6	Confident	3 Å²	3	45.4 Å²	45.4	2%	0.015	25%	0.246	C	C	.	.			trans	-84.1	70.6	177	-66	-147.6	-72.9	0	0	112	M147 F169 Q170 V175 L199	M147-M172 HydrophobicContact CB-CE 4.23Å; M147-M172 HydrophobicContact CB-SD 3.6Å; M147-M172 VanDerWaalsContact CB-SD 3.6Å; F169-M172 HydrophobicContact CB-CE 3.99Å; F169-M172 HydrophobicContact CD1-CE 3.27Å; F169-M172 HydrophobicContact CE1-CE 4.14Å; F169-M172 HydrophobicContact CG-CE 4.05Å; F169-M172 WeakPolarHBondContact O-CB 3.43Å; F169-M172 PolarHBondContact O-N 3.44Å; Q170-M172 VanDerWaalsContact C-N 3.28Å; Q170-M172 PolarHBondContact O-N 3.35Å; M172-V175 HydrophobicContact CB-CG2 3.77Å; M172-V175 HydrophobicContact SD-CG2 4.13Å; M172-L199 HydrophobicContact CB-CD2 4.07Å
173	S	70.3	Confident	75.3	Confident	48 Å²	48	44.8 Å²	44.8	34%	0.336	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-13.6	-176.4	60.3	0	0	0	0	114.8	G171 R201	G171-S173 VanDerWaalsContact C-N 3.32Å; G171-S173 PolarHBondContact O-N 3.46Å; G171-S173 VanDerWaalsContact O-N 3.08Å; S173-R201 VanDerWaalsContact O-CD 3.23Å; S173-R201 WeakPolarHBondContact O-CD 3.25Å; S173-R201 VanDerWaalsContact O-CG 3.28Å; S173-R201 WeakPolarHBondContact O-CG 3.21Å
174	Q	68.4	Low	75.2	Confident	80 Å²	80	38.9 Å²	38.9	37%	0.374	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	1	-175.3	-58	-59.2	-34.2	0	0	114.1	K149 L151 I176	K149-Q174 WeakPolarHBondContact O-CB 3.31Å; L151-Q174 CarbonylContact O-C 3.5Å; Q174-I176 WeakPolarHBondContact O-CG1 3.33Å; Q174-I176 PolarHBondContact O-N 3.18Å
175	V	65.8	Low	75.2	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.236	C	C	.	.			trans	-71.5	117.6	-179.3	-176.7	0	0	0	0	109.3	L151 M172 M178 L199 R201 V202	L151-V175 VanDerWaalsContact O-CA 3.25Å; L151-V175 WeakPolarHBondContact O-CA 3.28Å; L151-V175 WeakPolarHBondContact O-CG2 3.45Å; L151-V175 PolarHBondContact O-N 3.12Å; M172-V175 HydrophobicContact CB-CG2 3.77Å; M172-V175 HydrophobicContact SD-CG2 4.13Å; V175-M178 HydrophobicContact CG1-CB 3.55Å; V175-M178 HydrophobicContact CG1-CG 3.63Å; V175-M178 HydrophobicContact CG1-SD 3.95Å; V175-L199 HydrophobicContact CB-CD2 4.17Å; V175-L199 HydrophobicContact CG2-CD2 4.23Å; V175-R201 CarbonylContact O-C 3.1Å; V175-V202 WeakPolarHBondContact O-CA 3.24Å; V175-V202 PolarHBondContact O-N 2.97Å
176	I	63.8	Low	75.2	Confident	56 Å²	56	36.4 Å²	36.4	29%	0.287	21%	0.214	S	C	.	.	S	Bend	trans	-99.5	-39.1	-175.9	-63.6	168.9	0	0	0	110.2	Q152 Q174 S203	Q152-I176 HydrophobicContact CG-CD1 4.44Å; Q152-I176 PolarHBondContact O-N 3.38Å; Q174-I176 WeakPolarHBondContact O-CG1 3.33Å; Q174-I176 PolarHBondContact O-N 3.18Å; I176-S203 PolarHBondContact O-N 2.91Å
177	V	61.3	Low	75.4	Confident	61 Å²	61	38.7 Å²	38.7	37%	0.37	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	106.6	-177.5	-177.6	0	0	0	0	106.6	Q152 E153	Q152-V177 CarbonylContact O-C 3.03Å; Q152-V177 PolarHBondContact O-N 3.36Å; E153-V177 VanDerWaalsContact CA-O 3.27Å; E153-V177 WeakPolarHBondContact CA-O 3.3Å; E153-V177 HydrophobicContact CG-CB 4.26Å; E153-V177 HydrophobicContact CG-CG1 4.14Å
178	M	64.1	Low	75.5	Confident	2 Å²	2	36.5 Å²	36.5	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	137	179.9	-146.5	-179.5	72.7	0	0	113.7	L154 F169 V175 F196 L199 V202 Y204 I205	L154-M178 HydrophobicContact CB-CG 4.18Å; F169-M178 HydrophobicContact CD1-CE 3.53Å; F169-M178 HydrophobicContact CD1-SD 3.46Å; F169-M178 WeakPolarHBondContact CD1-SD 3.26Å; F169-M178 HydrophobicContact CE1-CE 3.14Å; F169-M178 HydrophobicContact CE1-SD 3.38Å; F169-M178 WeakPolarHBondContact CE1-SD 3.45Å; F169-M178 HydrophobicContact CE2-CE 4.22Å; F169-M178 HydrophobicContact CG-CE 4.31Å; F169-M178 HydrophobicContact CZ-CE 3.52Å; F169-M178 HydrophobicContact CZ-SD 4.34Å; V175-M178 HydrophobicContact CG1-CB 3.55Å; V175-M178 HydrophobicContact CG1-CG 3.63Å; V175-M178 HydrophobicContact CG1-SD 3.95Å; M178-F196 HydrophobicContact CE-CD1 3.82Å; M178-F196 HydrophobicContact CE-CE1 3.96Å; M178-L199 HydrophobicContact CE-CD1 3.22Å; M178-L199 HydrophobicContact CE-CD2 4.48Å; M178-L199 HydrophobicContact CE-CG 4.46Å; M178-L199 HydrophobicContact SD-CD1 3.62Å; M178-L199 HydrophobicContact SD-CD2 3.81Å; M178-L199 HydrophobicContact SD-CG 4.39Å; M178-V202 HydrophobicContact CB-CG2 3.7Å; M178-Y204 CarbonylContact C-O 3.54Å; M178-Y204 PolarHBondContact N-O 3.16Å; M178-I205 WeakPolarHBondContact O-CA 3.49Å
179	A	59.9	Low	75.6	Confident	2 Å²	2	40.9 Å²	40.9	2%	0.017	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	70.1	81.8	150	0	0	0	0	0	113	L154 L181 R206	L154-A179 WeakPolarHBondContact O-CA 3.28Å; L154-A179 PolarHBondContact O-N 3.1Å; A179-L181 HydrophobicContact CB-CD1 3.58Å; A179-L181 HydrophobicContact CB-CG 3.66Å; A179-L181 PolarHBondContact O-N 3.31Å; A179-R206 CarbonylContact O-C 3.58Å; A179-R206 PolarHBondContact O-N 3.32Å
180	E	67.6	Low	75.8	Confident	55 Å²	55	41.4 Å²	41.4	26%	0.257	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	92.6	135.2	-65.8	-176.8	169.4	0	0	106.8	I156 H157	I156-E180 CarbonylContact C-O 3.52Å; I156-E180 VanDerWaalsContact C-O 3.31Å; I156-E180 PolarHBondContact N-O 3.18Å; I156-E180 VanDerWaalsContact N-O 3.09Å; H157-E180 HydrophobicContact CB-CB 4.29Å; H157-E180 IonicContact CD2-OE2 3.97Å; H157-E180 PolarHBondContact N-O 3.4Å; H157-E180 VanDerWaalsContact N-O 3.1Å
181	L	79.1	Confident	76.2	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.005	22%	0.223	C	C	.	.			trans	-93.4	14	171.7	-80.2	160.5	0	0	0	111	M143 I156 I161 I164 A179 N184 F196 R206 I207	M143-L181 HydrophobicContact SD-CD2 3.81Å; I156-L181 HydrophobicContact CG2-CD2 3.35Å; I156-L181 HydrophobicContact CG2-CG 4.1Å; I161-L181 HydrophobicContact CD1-CD2 4.4Å; I164-L181 HydrophobicContact CD1-CD1 3.67Å; I164-L181 HydrophobicContact CD1-CD2 4.15Å; A179-L181 HydrophobicContact CB-CD1 3.58Å; A179-L181 HydrophobicContact CB-CG 3.66Å; A179-L181 PolarHBondContact O-N 3.31Å; L181-N184 PolarHBondContact O-ND2 3.08Å; L181-F196 HydrophobicContact CD1-CE1 4.3Å; L181-F196 HydrophobicContact CD1-CZ 4.31Å; L181-R206 PolarHBondContact N-O 3.27Å; L181-I207 HydrophobicContact CB-CG1 4.3Å; L181-I207 HydrophobicContact CB-CG2 4.31Å; L181-I207 HydrophobicContact CD1-CD1 4.5Å; L181-I207 HydrophobicContact CD1-CG1 4.22Å
182	G	74.5	Confident	76.8	Confident	8 Å²	8	38.7 Å²	38.7	8%	0.082	23%	0.226	C	C	.	.			trans	-68.4	159.9	-169.3	0	0	0	0	0	113.7	H157 E158 N184 A208	H157-G182 CarbonylContact C-O 3.2Å; H157-G182 VanDerWaalsContact CA-O 3.26Å; H157-G182 WeakPolarHBondContact CA-O 3.44Å; E158-G182 PolarHBondContact N-O 3.24Å; G182-N184 VanDerWaalsContact C-N 3.29Å; G182-N184 PolarHBondContact O-N 3.06Å; G182-N184 PolarHBondContact O-ND2 3.5Å; G182-A208 CarbonylContact C-O 3.47Å; G182-A208 WeakPolarHBondContact CA-O 3.32Å
183	S	83.8	Confident	77.3	Confident	52 Å²	52	42.4 Å²	42.4	36%	0.364	26%	0.258	S	S	.	.	S	Bend	trans	54.9	43.8	-178.3	-65	0	0	0	0	112.9	E158 N159 A208 D209	E158-S183 WeakPolarHBondContact CA-O 3.44Å; N159-S183 PolarHBondContact N-O 3.35Å; S183-A208 PolarHBondContact N-O 3.24Å; S183-D209 VanDerWaalsContact CA-O 3.32Å; S183-D209 WeakPolarHBondContact CA-O 3.45Å; S183-D209 PolarHBondContact N-O 3.18Å
184	N	85.8	Confident	77.9	Confident	5 Å²	5	40.7 Å²	40.7	3%	0.027	25%	0.248	C	C	.	.			trans	-116	145.5	169.8	-80.7	-85.6	0	0	0	109.2	I156 N159 E160 I161 L181 G182 L186 T210	I156-N184 PolarHBondContact O-ND2 3.31Å; I156-N184 VanDerWaalsContact O-ND2 3.13Å; N159-N184 VanDerWaalsContact CA-OD1 3.28Å; N159-N184 WeakPolarHBondContact CA-OD1 3.05Å; N159-N184 WeakPolarHBondContact CB-OD1 2.9Å; N159-N184 PolarHBondContact N-OD1 2.91Å; N159-N184 PolarHBondContact O-OD1 3.27Å; E160-N184 PolarHBondContact N-OD1 3.19Å; I161-N184 HydrophobicContact CB-CB 4.26Å; I161-N184 VanDerWaalsContact CB-OD1 3.23Å; I161-N184 WeakPolarHBondContact CB-OD1 3.37Å; I161-N184 WeakPolarHBondContact CG1-OD1 3.27Å; I161-N184 PolarHBondContact N-OD1 3.17Å; L181-N184 PolarHBondContact O-ND2 3.08Å; G182-N184 VanDerWaalsContact C-N 3.29Å; G182-N184 PolarHBondContact O-N 3.06Å; G182-N184 PolarHBondContact O-ND2 3.5Å; N184-L186 HydrophobicContact CB-CB 4.41Å; N184-L186 PolarHBondContact O-N 2.94Å; N184-T210 WeakPolarHBondContact O-CA 3.32Å; N184-T210 VanDerWaalsContact O-CB 3.24Å; N184-T210 WeakPolarHBondContact O-CB 3.38Å; N184-T210 WeakPolarHBondContact O-CG2 3.39Å
185	P	88.1	Confident	78.7	Confident	55 Å²	55	36.9 Å²	36.9	36%	0.357	23%	0.23	S	C	.	.			trans	-73	35.2	176.3	33.7	-37.4	0	0	0	112.8	N159 T162	N159-P185 WeakPolarHBondContact O-CD 3.26Å; T162-P185 HydrophobicContact CG2-CG 4.17Å
186	L	87.8	Confident	79.6	Confident	0 Å²	0	37 Å²	37	0%	0	23%	0.231	C	C	.	.			trans	-68.9	132.8	-178.4	-172.9	62.7	0	0	0	110.2	I161 I164 N184 V191 I207 T210 N211 I212	I161-L186 PolarHBondContact O-N 2.9Å; I164-L186 HydrophobicContact CD1-CD1 4.21Å; I164-L186 HydrophobicContact CD1-CD2 3.54Å; I164-L186 HydrophobicContact CG1-CD1 4Å; I164-L186 HydrophobicContact CG1-CD2 4.26Å; N184-L186 HydrophobicContact CB-CB 4.41Å; N184-L186 PolarHBondContact O-N 2.94Å; L186-V191 HydrophobicContact CD1-CG2 3.91Å; L186-V191 HydrophobicContact CD2-CG2 3.81Å; L186-V191 HydrophobicContact CG-CG2 3.94Å; L186-I207 HydrophobicContact CD2-CG2 4.13Å; L186-T210 HydrophobicContact CB-CG2 4.43Å; L186-N211 CarbonylContact O-C 3.03Å; L186-N211 VanDerWaalsContact O-CA 3.24Å; L186-N211 WeakPolarHBondContact O-CA 3.28Å; L186-N211 WeakPolarHBondContact O-CB 3.44Å; L186-N211 PolarHBondContact O-N 2.83Å; L186-I212 HydrophobicContact CD2-CD1 3.89Å; L186-I212 HydrophobicContact CD2-CG1 4.49Å; L186-I212 HydrophobicContact CG-CD1 4.25Å; L186-I212 HydrophobicContact CG-CG1 4.31Å; L186-I212 PolarHBondContact O-N 3.39Å
187	K	88.4	Confident	80.5	Confident	138 Å²	138	36.7 Å²	36.7	60%	0.6	24%	0.236	S	C	*	.	B	Isolated β-bridge	trans	-111.9	157.6	173.4	-62.9	-179.4	-178.9	-179.9	0	109	A189 G190 N211	K187-A189 VanDerWaalsContact C-N 3.27Å; K187-A189 PolarHBondContact O-N 3.39Å; K187-G190 WeakPolarHBondContact O-CA 3.2Å; K187-G190 PolarHBondContact O-N 2.75Å; K187-N211 HydrophobicContact CG-CB 4.2Å
188	S	84.7	Confident	81.5	Confident	16 Å²	16	36.1 Å²	36.1	11%	0.112	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-54.3	-42.6	177.8	-44	0	0	0	0	112.8	G190 V191 T213 E214	S188-G190 PolarHBondContact O-N 2.85Å; S188-G190 VanDerWaalsContact O-N 3.14Å; S188-V191 PolarHBondContact O-N 2.98Å; S188-T213 PolarHBondContact OG-N 2.93Å; S188-T213 PolarHBondContact OG-OG1 3.24Å; S188-E214 PolarHBondContact OG-N 3.22Å
189	A	83.8	Confident	82.4	Confident	106 Å²	106	36 Å²	36	88%	0.876	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-63.9	-17.6	176.6	0	0	0	0	0	114.1	K187	K187-A189 VanDerWaalsContact C-N 3.27Å; K187-A189 PolarHBondContact O-N 3.39Å
190	G	84.3	Confident	83.4	Confident	11 Å²	11	43.6 Å²	43.6	11%	0.113	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-80.2	-18.1	174.6	0	0	0	0	0	113.2	T162 K163 I164 K187 S188	T162-G190 WeakPolarHBondContact O-CA 3.39Å; K163-G190 CarbonylContact C-O 3.24Å; K163-G190 VanDerWaalsContact CA-O 3.28Å; K163-G190 WeakPolarHBondContact CA-O 3.46Å; I164-G190 PolarHBondContact N-O 3.31Å; K187-G190 WeakPolarHBondContact O-CA 3.2Å; K187-G190 PolarHBondContact O-N 2.75Å; S188-G190 PolarHBondContact O-N 2.85Å; S188-G190 VanDerWaalsContact O-N 3.14Å
191	V	88.6	Confident	84.3	Confident	19 Å²	19	47 Å²	47	12%	0.115	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-96.3	111.7	-179.7	-174.5	0	0	0	0	109	I164 L186 S188 A195 F196 P216	I164-V191 HydrophobicContact CD1-CG2 4.44Å; L186-V191 HydrophobicContact CD1-CG2 3.91Å; L186-V191 HydrophobicContact CD2-CG2 3.81Å; L186-V191 HydrophobicContact CG-CG2 3.94Å; S188-V191 PolarHBondContact O-N 2.98Å; V191-A195 HydrophobicContact CG1-CB 4.33Å; V191-F196 HydrophobicContact CG1-CE2 3.88Å; V191-P216 HydrophobicContact CG1-CB 4.22Å; V191-P216 HydrophobicContact CG1-CG 4.5Å
192	E	88.3	Confident	84.6	Confident	94 Å²	94	46.9 Å²	46.9	44%	0.439	27%	0.273	S	S	.	.			trans	-63	141.3	175.8	-166.3	-178.9	162.2	0	0	110.8	I164 K165 K166 G194 A195	I164-E192 PolarHBondContact O-N 3.36Å; K165-E192 WeakPolarHBondContact CA-OE2 3.47Å; K166-E192 PolarHBondContact N-OE2 3.23Å; E192-G194 PolarHBondContact O-N 3.28Å; E192-A195 HydrophobicContact CB-CB 4.35Å; E192-A195 WeakPolarHBondContact O-CB 3.25Å; E192-A195 PolarHBondContact O-N 3.43Å
193	A	84.6	Confident	85.3	Confident	81 Å²	81	48.9 Å²	48.9	67%	0.669	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	126	178.9	0	0	0	0	0	110.5	A195	A193-A195 VanDerWaalsContact C-N 3.26Å; A193-A195 PolarHBondContact O-N 3.47Å
194	G	83.2	Confident	85.6	Confident	12 Å²	12	48.7 Å²	48.7	12%	0.124	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.9	23.6	-175.3	0	0	0	0	0	114	E192 F196 A197 K217	E192-G194 PolarHBondContact O-N 3.28Å; G194-F196 PolarHBondContact O-N 3.12Å; G194-F196 VanDerWaalsContact O-N 3.1Å; G194-A197 VanDerWaalsContact O-CB 3.22Å; G194-A197 WeakPolarHBondContact O-CB 3.28Å; G194-A197 PolarHBondContact O-N 2.56Å; G194-K217 PolarHBondContact N-O 3.23Å
195	A	85.5	Confident	85.8	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.008	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-32.4	173.5	0	0	0	0	0	112.5	I164 F169 V191 E192 A193	I164-A195 HydrophobicContact CG2-CB 3.99Å; F169-A195 WeakPolarHBondContact CD2-O 3.5Å; V191-A195 HydrophobicContact CG1-CB 4.33Å; E192-A195 HydrophobicContact CB-CB 4.35Å; E192-A195 WeakPolarHBondContact O-CB 3.25Å; E192-A195 PolarHBondContact O-N 3.43Å; A193-A195 VanDerWaalsContact C-N 3.26Å; A193-A195 PolarHBondContact O-N 3.47Å
196	F	85.3	Confident	86	Confident	2 Å²	2	49.8 Å²	49.8	1%	0.009	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	2.9	-178.4	-54	-71.4	0	0	0	114	I164 F169 M178 L181 V191 G194 D198 L199 I205 I207 P216 L219 P220	I164-F196 HydrophobicContact CD1-CZ 4.16Å; I164-F196 HydrophobicContact CG2-CE1 4.46Å; I164-F196 HydrophobicContact CG2-CZ 4.29Å; F169-F196 HydrophobicContact CD2-CD1 4.25Å; F169-F196 HydrophobicContact CD2-CE1 4.43Å; F169-F196 AromaticContact CE2-CD1 3.89Å; F169-F196 HydrophobicContact CE2-CD1 3.89Å; F169-F196 AromaticContact CE2-CE1 3.63Å; F169-F196 HydrophobicContact CE2-CE1 3.63Å; F169-F196 HydrophobicContact CZ-CD1 4.37Å; F169-F196 AromaticContact CZ-CE1 3.94Å; F169-F196 HydrophobicContact CZ-CE1 3.94Å; M178-F196 HydrophobicContact CE-CD1 3.82Å; M178-F196 HydrophobicContact CE-CE1 3.96Å; L181-F196 HydrophobicContact CD1-CE1 4.3Å; L181-F196 HydrophobicContact CD1-CZ 4.31Å; V191-F196 HydrophobicContact CG1-CE2 3.88Å; G194-F196 PolarHBondContact O-N 3.12Å; G194-F196 VanDerWaalsContact O-N 3.1Å; F196-D198 VanDerWaalsContact C-N 3.3Å; F196-D198 PolarHBondContact O-N 3.23Å; F196-L199 HydrophobicContact CB-CD1 4.03Å; F196-L199 HydrophobicContact CD1-CD1 3.93Å; F196-L199 HydrophobicContact CG-CD1 4.49Å; F196-L199 WeakPolarHBondContact O-CB 3.39Å; F196-L199 PolarHBondContact O-N 2.99Å; F196-I205 HydrophobicContact CD1-CD1 4.43Å; F196-I205 HydrophobicContact CG-CD1 4.48Å; F196-I207 HydrophobicContact CE2-CD1 4.36Å; F196-I207 HydrophobicContact CZ-CD1 4.14Å; F196-P216 HydrophobicContact CE2-CB 4.49Å; F196-L219 HydrophobicContact CD2-CD2 4Å; F196-P220 HydrophobicContact CB-CG 4.3Å
197	A	82.3	Confident	86.1	Confident	49 Å²	49	49.8 Å²	49.8	41%	0.405	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-29.1	-170.2	0	0	0	0	0	113.8	G194 L199	G194-A197 VanDerWaalsContact O-CB 3.22Å; G194-A197 WeakPolarHBondContact O-CB 3.28Å; G194-A197 PolarHBondContact O-N 2.56Å; A197-L199 PolarHBondContact O-N 3.46Å
198	D	81.4	Confident	86.1	Confident	49 Å²	49	43.3 Å²	43.3	26%	0.262	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-9.9	-178.9	-75.7	1	0	0	0	113	F196 K200	F196-D198 VanDerWaalsContact C-N 3.3Å; F196-D198 PolarHBondContact O-N 3.23Å; D198-K200 PolarHBondContact O-N 3.43Å
199	L	83.1	Confident	86.4	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.263	C	S	.	.			trans	-82.2	80.7	-179.4	-57.6	171	0	0	0	110.8	F169 M172 V175 M178 F196 A197 R201 V202 P220	F169-L199 HydrophobicContact CB-CD2 4.1Å; F169-L199 HydrophobicContact CB-CG 4.33Å; F169-L199 HydrophobicContact CD1-CD1 4.45Å; F169-L199 HydrophobicContact CD1-CD2 4.33Å; F169-L199 HydrophobicContact CG-CD1 4.47Å; F169-L199 HydrophobicContact CG-CD2 4.5Å; M172-L199 HydrophobicContact CB-CD2 4.07Å; V175-L199 HydrophobicContact CB-CD2 4.17Å; V175-L199 HydrophobicContact CG2-CD2 4.23Å; M178-L199 HydrophobicContact CE-CD1 3.22Å; M178-L199 HydrophobicContact CE-CD2 4.48Å; M178-L199 HydrophobicContact CE-CG 4.46Å; M178-L199 HydrophobicContact SD-CD1 3.62Å; M178-L199 HydrophobicContact SD-CD2 3.81Å; M178-L199 HydrophobicContact SD-CG 4.39Å; F196-L199 HydrophobicContact CB-CD1 4.03Å; F196-L199 HydrophobicContact CD1-CD1 3.93Å; F196-L199 HydrophobicContact CG-CD1 4.49Å; F196-L199 WeakPolarHBondContact O-CB 3.39Å; F196-L199 PolarHBondContact O-N 2.99Å; A197-L199 PolarHBondContact O-N 3.46Å; L199-R201 VanDerWaalsContact C-N 3.28Å; L199-R201 PolarHBondContact O-N 3.46Å; L199-V202 HydrophobicContact CB-CB 4.06Å; L199-V202 HydrophobicContact CB-CG1 3.74Å; L199-V202 HydrophobicContact CD1-CG1 4.46Å; L199-P220 HydrophobicContact CB-CG 4.4Å; L199-P220 VanDerWaalsContact O-CB 3.3Å; L199-P220 WeakPolarHBondContact O-CB 3.48Å
200	K	82.4	Confident	86.7	Confident	161 Å²	161	42 Å²	42	70%	0.7	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-15.5	-172.5	-62.1	-175.1	-178.4	-177.3	0	115.3	D198 S222	D198-K200 PolarHBondContact O-N 3.43Å; K200-S222 WeakPolarHBondContact O-CB 3.43Å
201	R	85.1	Confident	87	Confident	126 Å²	126	44.2 Å²	44.2	48%	0.475	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.8	4.4	-173.1	-66.8	-173.5	69.6	-169.7	-0.6	113.7	S173 V175 L199 S203	S173-R201 VanDerWaalsContact O-CD 3.23Å; S173-R201 WeakPolarHBondContact O-CD 3.25Å; S173-R201 VanDerWaalsContact O-CG 3.28Å; S173-R201 WeakPolarHBondContact O-CG 3.21Å; V175-R201 CarbonylContact O-C 3.1Å; L199-R201 VanDerWaalsContact C-N 3.28Å; L199-R201 PolarHBondContact O-N 3.46Å; R201-S203 PolarHBondContact O-N 2.77Å
202	V	86.2	Confident	87.2	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.228	C	C	.	.			trans	-71.3	128.9	-174.9	68.3	0	0	0	0	110	V175 M178 L199 Y204 I205 P220 S222 L223	V175-V202 WeakPolarHBondContact O-CA 3.24Å; V175-V202 PolarHBondContact O-N 2.97Å; M178-V202 HydrophobicContact CB-CG2 3.7Å; L199-V202 HydrophobicContact CB-CB 4.06Å; L199-V202 HydrophobicContact CB-CG1 3.74Å; L199-V202 HydrophobicContact CD1-CG1 4.46Å; V202-Y204 WeakPolarHBondContact CG2-O 3.1Å; V202-I205 HydrophobicContact CG1-CD1 4.28Å; V202-I205 HydrophobicContact CG2-CD1 4.27Å; V202-I205 HydrophobicContact CG2-CG1 3.88Å; V202-P220 HydrophobicContact CG1-CB 3.93Å; V202-P220 HydrophobicContact CG1-CG 3.24Å; V202-S222 PolarHBondContact N-OG 2.91Å; V202-S222 CarbonylContact O-C 3.28Å; V202-S222 WeakPolarHBondContact O-CB 3.09Å; V202-S222 PolarHBondContact O-OG 2.86Å; V202-L223 HydrophobicContact CG1-CD2 3.94Å; V202-L223 HydrophobicContact CG1-CG 4.26Å; V202-L223 HydrophobicContact CG2-CD2 4.33Å; V202-L223 PolarHBondContact O-N 3.37Å
203	S	88.9	Confident	87.4	Confident	50 Å²	50	42.1 Å²	42.1	35%	0.35	23%	0.227	S	C	.	.			trans	-102.2	-34.6	179.9	-173.3	0	0	0	0	112.2	I176 R201 S224 E225	I176-S203 PolarHBondContact O-N 2.91Å; R201-S203 PolarHBondContact O-N 2.77Å; S203-S224 PolarHBondContact O-N 2.57Å; S203-S224 WeakPolarHBondContact OG-CB 3.28Å; S203-E225 PolarHBondContact O-N 3.37Å
204	Y	89.6	Confident	87.9	Confident	48 Å²	48	42.7 Å²	42.7	19%	0.188	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	131.1	-172.7	-177.8	-86.8	0	0	0	110.1	M178 V202 R206 E225 H227	M178-Y204 CarbonylContact C-O 3.54Å; M178-Y204 PolarHBondContact N-O 3.16Å; V202-Y204 WeakPolarHBondContact CG2-O 3.1Å; Y204-R206 HydrophobicContact CE1-CB 3.6Å; Y204-R206 VanDerWaalsContact OH-CD 3.26Å; Y204-R206 WeakPolarHBondContact OH-CD 3.29Å; Y204-E225 WeakPolarHBondContact CA-O 3.38Å; Y204-E225 HydrophobicContact CD2-CB 3.72Å; Y204-E225 HydrophobicContact CD2-CG 4.46Å; Y204-E225 VanDerWaalsContact CD2-OE2 3.31Å; Y204-E225 WeakPolarHBondContact CD2-OE2 3.46Å; Y204-E225 HydrophobicContact CE2-CB 4.29Å; Y204-E225 WeakPolarHBondContact CE2-OE2 3.38Å; Y204-H227 AromaticContact CE2-CD2 3.43Å; Y204-H227 VanDerWaalsContact CE2-CD2 3.43Å; Y204-H227 WeakPolarHBondContact CE2-CD2 3.32Å; Y204-H227 AromaticContact CE2-NE2 3.75Å; Y204-H227 AromaticContact CZ-CD2 3.79Å
205	I	90.3	Very high	88.3	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	130.3	168.4	-71.5	176.3	0	0	0	109.6	M178 F196 V202 I207 P220 L223 E225 L226 H227	M178-I205 WeakPolarHBondContact O-CA 3.49Å; F196-I205 HydrophobicContact CD1-CD1 4.43Å; F196-I205 HydrophobicContact CG-CD1 4.48Å; V202-I205 HydrophobicContact CG1-CD1 4.28Å; V202-I205 HydrophobicContact CG2-CD1 4.27Å; V202-I205 HydrophobicContact CG2-CG1 3.88Å; I205-I207 HydrophobicContact CG2-CD1 4.18Å; I205-I207 HydrophobicContact CG2-CG1 3.93Å; I205-P220 HydrophobicContact CD1-CG 4.43Å; I205-L223 HydrophobicContact CB-CD2 4.1Å; I205-L223 HydrophobicContact CD1-CD1 4.12Å; I205-L223 HydrophobicContact CD1-CD2 3.75Å; I205-L223 HydrophobicContact CD1-CG 4.44Å; I205-L223 HydrophobicContact CG1-CD2 3.71Å; I205-E225 PolarHBondContact N-O 3.37Å; I205-E225 VanDerWaalsContact N-O 3.08Å; I205-L226 HydrophobicContact CB-CD1 4.28Å; I205-L226 HydrophobicContact CG2-CD1 4.14Å; I205-H227 PolarHBondContact O-N 2.99Å
206	R	91.4	Very high	88.6	Confident	82 Å²	82	42.8 Å²	42.8	31%	0.309	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	110.5	173.9	-176.6	164.2	-175.2	-154.2	-0.4	112.5	A179 L181 Y204 A208 H227 D229	A179-R206 CarbonylContact O-C 3.58Å; A179-R206 PolarHBondContact O-N 3.32Å; L181-R206 PolarHBondContact N-O 3.27Å; Y204-R206 HydrophobicContact CE1-CB 3.6Å; Y204-R206 VanDerWaalsContact OH-CD 3.26Å; Y204-R206 WeakPolarHBondContact OH-CD 3.29Å; R206-A208 HydrophobicContact CG-CB 3.98Å; R206-H227 CarbonylContact C-O 3.45Å; R206-H227 VanDerWaalsContact CA-O 3.32Å; R206-H227 WeakPolarHBondContact CA-O 3.33Å; R206-H227 HydrophobicContact CB-CB 3.9Å; R206-H227 HydrophobicContact CG-CB 3.66Å; R206-D229 IonicContact CZ-OD2 3.21Å; R206-D229 IonicContact NE-OD1 2.77Å; R206-D229 PolarHBondContact NE-OD1 2.85Å; R206-D229 IonicContact NE-OD2 2.78Å; R206-D229 PolarHBondContact NE-OD2 3.15Å; R206-D229 IonicContact NH2-OD1 2.77Å; R206-D229 IonicContact NH2-OD2 2.78Å; R206-D229 PolarHBondContact NH2-OD2 2.82Å
207	I	90.1	Very high	88.7	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.005	24%	0.235	C	C	.	.			trans	-115.5	83.7	173	-45.2	171.6	0	0	0	107	L181 L186 F196 I205 T210 I212 P216 H227 L228 N231	L181-I207 HydrophobicContact CB-CG1 4.3Å; L181-I207 HydrophobicContact CB-CG2 4.31Å; L181-I207 HydrophobicContact CD1-CD1 4.5Å; L181-I207 HydrophobicContact CD1-CG1 4.22Å; L186-I207 HydrophobicContact CD2-CG2 4.13Å; F196-I207 HydrophobicContact CE2-CD1 4.36Å; F196-I207 HydrophobicContact CZ-CD1 4.14Å; I205-I207 HydrophobicContact CG2-CD1 4.18Å; I205-I207 HydrophobicContact CG2-CG1 3.93Å; I207-T210 HydrophobicContact CG2-CG2 3.77Å; I207-I212 HydrophobicContact CB-CD1 4.44Å; I207-I212 HydrophobicContact CG2-CD1 3.53Å; I207-P216 HydrophobicContact CD1-CG 4.45Å; I207-H227 PolarHBondContact N-O 2.77Å; I207-L228 HydrophobicContact CB-CD2 3.76Å; I207-L228 HydrophobicContact CD1-CD2 4.22Å; I207-L228 HydrophobicContact CG1-CD2 4.23Å; I207-L228 WeakPolarHBondContact O-CA 3.17Å; I207-N231 PolarHBondContact O-ND2 2.88Å
208	A	89.9	Confident	88.9	Confident	2 Å²	2	47.3 Å²	47.3	2%	0.017	24%	0.236	C	C	.	.			trans	-110	157.4	-175.5	0	0	0	0	0	112.6	G182 S183 R206 T210 D229	G182-A208 CarbonylContact C-O 3.47Å; G182-A208 WeakPolarHBondContact CA-O 3.32Å; S183-A208 PolarHBondContact N-O 3.24Å; R206-A208 HydrophobicContact CG-CB 3.98Å; A208-T210 VanDerWaalsContact C-N 3.31Å; A208-T210 VanDerWaalsContact O-CG2 3.3Å; A208-T210 WeakPolarHBondContact O-CG2 3.35Å; A208-T210 PolarHBondContact O-N 3.27Å; A208-D229 CarbonylContact C-O 3.37Å; A208-D229 WeakPolarHBondContact CA-O 3.42Å; A208-D229 WeakPolarHBondContact CB-O 3.47Å; A208-D229 VanDerWaalsContact CB-OD2 3.28Å; A208-D229 WeakPolarHBondContact CB-OD2 3.49Å
209	D	90.1	Very high	89.3	Confident	87 Å²	87	45.8 Å²	45.8	47%	0.465	23%	0.228	S	C	.	.	S	Bend	trans	55.7	43.1	177.4	-55.3	-60.8	0	0	0	112.9	S183 D229 A230	S183-D209 VanDerWaalsContact CA-O 3.32Å; S183-D209 WeakPolarHBondContact CA-O 3.45Å; S183-D209 PolarHBondContact N-O 3.18Å; D209-D229 PolarHBondContact N-O 2.98Å; D209-D229 VanDerWaalsContact N-O 3.17Å; D209-A230 WeakPolarHBondContact CA-O 3.24Å; D209-A230 PolarHBondContact N-O 3.46Å; D209-A230 VanDerWaalsContact N-O 3.12Å; D209-A230 WeakPolarHBondContact OD1-CB 3.41Å
210	T	89.9	Confident	89.6	Confident	7 Å²	7	46.2 Å²	46.2	4%	0.043	23%	0.23	C	C	.	.	S	Bend	trans	-122	-179	177.2	83.1	0	0	0	0	111.9	N184 L186 I207 A208 I212 A230 N231	N184-T210 WeakPolarHBondContact O-CA 3.32Å; N184-T210 VanDerWaalsContact O-CB 3.24Å; N184-T210 WeakPolarHBondContact O-CB 3.38Å; N184-T210 WeakPolarHBondContact O-CG2 3.39Å; L186-T210 HydrophobicContact CB-CG2 4.43Å; I207-T210 HydrophobicContact CG2-CG2 3.77Å; A208-T210 VanDerWaalsContact C-N 3.31Å; A208-T210 VanDerWaalsContact O-CG2 3.3Å; A208-T210 WeakPolarHBondContact O-CG2 3.35Å; A208-T210 PolarHBondContact O-N 3.27Å; T210-I212 WeakPolarHBondContact OG1-CG1 3.24Å; T210-I212 PolarHBondContact OG1-N 2.89Å; T210-A230 PolarHBondContact N-O 2.84Å; T210-N231 VanDerWaalsContact CA-OD1 3.29Å; T210-N231 WeakPolarHBondContact CA-OD1 3.37Å; T210-N231 WeakPolarHBondContact CB-OD1 3.19Å; T210-N231 PolarHBondContact N-OD1 3.08Å; T210-N231 PolarHBondContact O-OD1 3.31Å; T210-N231 PolarHBondContact OG1-OD1 3.47Å
211	N	91.4	Very high	89.9	Confident	57 Å²	57	42 Å²	42	31%	0.305	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-101.8	29.6	179.2	-70.8	-61	0	0	0	112.4	L186 K187 K232	L186-N211 CarbonylContact O-C 3.03Å; L186-N211 VanDerWaalsContact O-CA 3.24Å; L186-N211 WeakPolarHBondContact O-CA 3.28Å; L186-N211 WeakPolarHBondContact O-CB 3.44Å; L186-N211 PolarHBondContact O-N 2.83Å; K187-N211 HydrophobicContact CG-CB 4.2Å; N211-K232 WeakPolarHBondContact OD1-CE 3.29Å; N211-K232 PolarHBondContact OD1-NZ 3.38Å
212	I	92.2	Very high	90.2	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	21%	0.209	C	C	.	.			trans	-72.8	134	175.4	-68.5	173.9	0	0	0	110	L186 I207 T210 E214 K232 I233	L186-I212 HydrophobicContact CD2-CD1 3.89Å; L186-I212 HydrophobicContact CD2-CG1 4.49Å; L186-I212 HydrophobicContact CG-CD1 4.25Å; L186-I212 HydrophobicContact CG-CG1 4.31Å; L186-I212 PolarHBondContact O-N 3.39Å; I207-I212 HydrophobicContact CB-CD1 4.44Å; I207-I212 HydrophobicContact CG2-CD1 3.53Å; T210-I212 WeakPolarHBondContact OG1-CG1 3.24Å; T210-I212 PolarHBondContact OG1-N 2.89Å; I212-E214 WeakPolarHBondContact CG2-O 3.36Å; I212-K232 CarbonylContact O-C 3.14Å; I212-K232 VanDerWaalsContact O-C 3.24Å; I212-K232 WeakPolarHBondContact O-CA 3.43Å; I212-K232 PolarHBondContact O-N 3.18Å; I212-I233 HydrophobicContact CG2-CG1 4.4Å; I212-I233 PolarHBondContact O-N 3.11Å
213	T	93.3	Very high	90.4	Very high	68 Å²	68	37.4 Å²	37.4	42%	0.417	21%	0.209	S	C	.	.			trans	-107.7	-12.9	-178.5	58.6	0	0	0	0	114.2	S188 K232 I233 T234	S188-T213 PolarHBondContact OG-N 2.93Å; S188-T213 PolarHBondContact OG-OG1 3.24Å; T213-K232 WeakPolarHBondContact CA-O 3.36Å; T213-K232 HydrophobicContact CG2-CB 4.3Å; T213-I233 WeakPolarHBondContact O-CA 3.47Å; T213-T234 PolarHBondContact O-N 3.24Å
214	E	93.3	Very high	90.6	Very high	93 Å²	93	36.8 Å²	36.8	44%	0.435	20%	0.204	S	C	.	.	S	Bend	trans	-143.3	148.1	178.3	55	171.5	-166.7	0	0	111	S188 I212	S188-E214 PolarHBondContact OG-N 3.22Å; I212-E214 WeakPolarHBondContact CG2-O 3.36Å
215	I	93.3	Very high	90.8	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.021	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-64	127.9	175.1	-61	171.6	0	0	0	108.8	K217 L219 L228 I233 V236 A240 L241 L252	I215-K217 PolarHBondContact O-N 3.23Å; I215-L219 HydrophobicContact CG2-CD1 4.1Å; I215-L228 HydrophobicContact CB-CD1 4.26Å; I215-L228 HydrophobicContact CG1-CD1 3.86Å; I215-L228 HydrophobicContact CG2-CD1 3.93Å; I215-I233 HydrophobicContact CG1-CD1 4.17Å; I215-I233 HydrophobicContact CG1-CG2 4.33Å; I215-V236 HydrophobicContact CD1-CB 4.45Å; I215-V236 HydrophobicContact CD1-CG1 4.03Å; I215-V236 HydrophobicContact CD1-CG2 4.18Å; I215-A240 HydrophobicContact CB-CB 3.77Å; I215-A240 HydrophobicContact CG2-CB 3.88Å; I215-L241 HydrophobicContact CD1-CD2 4.33Å; I215-L252 HydrophobicContact CD1-CD1 4.28Å; I215-L252 HydrophobicContact CD1-CD2 4.12Å; I215-L252 HydrophobicContact CG1-CD2 4.29Å
216	P	90.5	Very high	91	Very high	12 Å²	12	36.8 Å²	36.8	8%	0.078	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-56.3	135.2	179.9	-26.8	34.8	0	0	0	112.7	V191 F196 I207 L219	V191-P216 HydrophobicContact CG1-CB 4.22Å; V191-P216 HydrophobicContact CG1-CG 4.5Å; F196-P216 HydrophobicContact CE2-CB 4.49Å; I207-P216 HydrophobicContact CD1-CG 4.45Å; P216-L219 HydrophobicContact CB-CD2 4.45Å; P216-L219 WeakPolarHBondContact O-CG 3.41Å
217	K	88.6	Confident	91.1	Very high	104 Å²	104	34.5 Å²	34.5	45%	0.452	20%	0.199	S	C	.	.	S	Bend	trans	-83.8	146.7	178.7	-63.3	176.4	-174.7	168.3	0	111.2	G194 I215	G194-K217 PolarHBondContact N-O 3.23Å; I215-K217 PolarHBondContact O-N 3.23Å
218	G	86.3	Confident	91.3	Very high	42 Å²	42	34.5 Å²	34.5	43%	0.433	20%	0.199	S	C	.	.	S	Bend	trans	75.9	35.8	177.3	0	0	0	0	0	113.3
219	L	90.1	Very high	91.5	Very high	16 Å²	16	35.6 Å²	35.6	8%	0.084	20%	0.204	C	C	.	.			trans	-64.3	146.3	170.8	-72.3	167.7	0	0	0	110.8	F196 I215 P216 L223 L226 L244	F196-L219 HydrophobicContact CD2-CD2 4Å; I215-L219 HydrophobicContact CG2-CD1 4.1Å; P216-L219 HydrophobicContact CB-CD2 4.45Å; P216-L219 WeakPolarHBondContact O-CG 3.41Å; L219-L223 HydrophobicContact CB-CD1 3.96Å; L219-L223 HydrophobicContact CD2-CD1 4.27Å; L219-L226 HydrophobicContact CD1-CD1 4.35Å; L219-L226 HydrophobicContact CD1-CD2 3.65Å; L219-L244 HydrophobicContact CB-CD1 4.48Å; L219-L244 HydrophobicContact CB-CD2 3.89Å; L219-L244 HydrophobicContact CD1-CD1 4.26Å
220	P	88.8	Confident	91.7	Very high	9 Å²	9	32.9 Å²	32.9	6%	0.058	19%	0.194	C	C	.	.			trans	-68.1	136.7	-177.1	21.6	-28.4	0	0	0	111.8	F196 L199 V202 I205 S222 L223 L244	F196-P220 HydrophobicContact CB-CG 4.3Å; L199-P220 HydrophobicContact CB-CG 4.4Å; L199-P220 VanDerWaalsContact O-CB 3.3Å; L199-P220 WeakPolarHBondContact O-CB 3.48Å; V202-P220 HydrophobicContact CG1-CB 3.93Å; V202-P220 HydrophobicContact CG1-CG 3.24Å; I205-P220 HydrophobicContact CD1-CG 4.43Å; P220-S222 PolarHBondContact O-N 3.42Å; P220-L223 HydrophobicContact CG-CD1 3.99Å; P220-L223 HydrophobicContact CG-CG 3.98Å; P220-L223 WeakPolarHBondContact O-CB 3.18Å; P220-L223 WeakPolarHBondContact O-CD1 3.14Å; P220-L223 WeakPolarHBondContact O-CG 3.33Å; P220-L223 PolarHBondContact O-N 3.32Å; P220-L244 WeakPolarHBondContact O-CD2 3.35Å
221	S	89.6	Confident	92	Very high	73 Å²	73	33 Å²	33	51%	0.51	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-10.1	-178.1	56.9	0	0	0	0	114.1	L223 G243 N246	S221-L223 PolarHBondContact O-N 2.97Å; S221-G243 VanDerWaalsContact CB-O 3.28Å; S221-G243 WeakPolarHBondContact CB-O 3.39Å; S221-N246 PolarHBondContact O-ND2 3.28Å
222	S	89.8	Confident	92.2	Very high	30 Å²	30	34.6 Å²	34.6	21%	0.21	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-13.4	174.2	62.3	0	0	0	0	113.3	K200 V202 P220 S224	K200-S222 WeakPolarHBondContact O-CB 3.43Å; V202-S222 PolarHBondContact N-OG 2.91Å; V202-S222 CarbonylContact O-C 3.28Å; V202-S222 WeakPolarHBondContact O-CB 3.09Å; V202-S222 PolarHBondContact O-OG 2.86Å; P220-S222 PolarHBondContact O-N 3.42Å; S222-S224 PolarHBondContact O-N 3.41Å
223	L	91.3	Very high	92.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.198	C	C	.	.			trans	-60.3	134.3	-175.7	-77.5	168.8	0	0	0	112.7	V202 I205 L219 P220 S221 L244 N246 L247	V202-L223 HydrophobicContact CG1-CD2 3.94Å; V202-L223 HydrophobicContact CG1-CG 4.26Å; V202-L223 HydrophobicContact CG2-CD2 4.33Å; V202-L223 PolarHBondContact O-N 3.37Å; I205-L223 HydrophobicContact CB-CD2 4.1Å; I205-L223 HydrophobicContact CD1-CD1 4.12Å; I205-L223 HydrophobicContact CD1-CD2 3.75Å; I205-L223 HydrophobicContact CD1-CG 4.44Å; I205-L223 HydrophobicContact CG1-CD2 3.71Å; L219-L223 HydrophobicContact CB-CD1 3.96Å; L219-L223 HydrophobicContact CD2-CD1 4.27Å; P220-L223 HydrophobicContact CG-CD1 3.99Å; P220-L223 HydrophobicContact CG-CG 3.98Å; P220-L223 WeakPolarHBondContact O-CB 3.18Å; P220-L223 WeakPolarHBondContact O-CD1 3.14Å; P220-L223 WeakPolarHBondContact O-CG 3.33Å; P220-L223 PolarHBondContact O-N 3.32Å; S221-L223 PolarHBondContact O-N 2.97Å; L223-L244 HydrophobicContact CB-CD2 4.5Å; L223-L244 HydrophobicContact CD1-CD2 4.21Å; L223-N246 CarbonylContact O-C 3.37Å; L223-L247 HydrophobicContact CB-CD1 4.12Å; L223-L247 WeakPolarHBondContact O-CA 3.27Å; L223-L247 PolarHBondContact O-N 3.01Å; L223-L247 VanDerWaalsContact O-N 3.16Å
224	S	92.9	Very high	92.5	Very high	36 Å²	36	34.1 Å²	34.1	25%	0.252	20%	0.196	S	C	.	.	S	Bend	trans	-107.6	-35.2	171.8	-164	0	0	0	0	111.6	S203 S222 A248 K249	S203-S224 PolarHBondContact O-N 2.57Å; S203-S224 WeakPolarHBondContact OG-CB 3.28Å; S222-S224 PolarHBondContact O-N 3.41Å; S224-A248 PolarHBondContact O-N 2.89Å; S224-K249 PolarHBondContact O-N 2.98Å
225	E	93.4	Very high	92.6	Very high	48 Å²	48	35.3 Å²	35.3	22%	0.224	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	126.7	-179.3	-57.7	-168	172	0	0	110.6	S203 Y204 I205 H227 K249	S203-E225 PolarHBondContact O-N 3.37Å; Y204-E225 WeakPolarHBondContact CA-O 3.38Å; Y204-E225 HydrophobicContact CD2-CB 3.72Å; Y204-E225 HydrophobicContact CD2-CG 4.46Å; Y204-E225 VanDerWaalsContact CD2-OE2 3.31Å; Y204-E225 WeakPolarHBondContact CD2-OE2 3.46Å; Y204-E225 HydrophobicContact CE2-CB 4.29Å; Y204-E225 WeakPolarHBondContact CE2-OE2 3.38Å; I205-E225 PolarHBondContact N-O 3.37Å; I205-E225 VanDerWaalsContact N-O 3.08Å; E225-H227 IonicContact OE2-NE2 3.86Å; E225-K249 HydrophobicContact CB-CB 4.43Å; E225-K249 HydrophobicContact CG-CB 4.1Å; E225-K249 HydrophobicContact CG-CD 4.19Å; E225-K249 HydrophobicContact CG-CG 4.21Å; E225-K249 WeakPolarHBondContact OE1-CD 3.38Å; E225-K249 WeakPolarHBondContact OE1-CE 3.46Å; E225-K249 IonicContact OE1-NZ 3.94Å; E225-K249 PolarHBondContact OE1-NZ 3.45Å
226	L	94.3	Very high	92.7	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	116.9	175.9	177.4	63.2	0	0	0	109.3	I205 L219 L228 L247 K249 L250 G251	I205-L226 HydrophobicContact CB-CD1 4.28Å; I205-L226 HydrophobicContact CG2-CD1 4.14Å; L219-L226 HydrophobicContact CD1-CD1 4.35Å; L219-L226 HydrophobicContact CD1-CD2 3.65Å; L226-L228 HydrophobicContact CD1-CD1 4.35Å; L226-L228 HydrophobicContact CD1-CD2 4.33Å; L226-L228 HydrophobicContact CD1-CG 4.1Å; L226-L228 HydrophobicContact CD2-CD1 4.11Å; L226-L228 HydrophobicContact CG-CD1 4.21Å; L226-L228 HydrophobicContact CG-CG 4.15Å; L226-L247 HydrophobicContact CB-CD1 3.78Å; L226-K249 PolarHBondContact N-O 2.96Å; L226-L250 HydrophobicContact CB-CD1 4.15Å; L226-L250 HydrophobicContact CD2-CD1 3.84Å; L226-L250 HydrophobicContact CG-CD1 4.09Å; L226-L250 WeakPolarHBondContact O-CA 3.49Å; L226-G251 PolarHBondContact O-N 3.34Å
227	H	94.3	Very high	92.9	Very high	34 Å²	34	37 Å²	37	16%	0.157	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	116.9	179.2	-69.4	-83.9	0	0	0	109.9	Y204 I205 R206 I207 E225 D229	Y204-H227 AromaticContact CE2-CD2 3.43Å; Y204-H227 VanDerWaalsContact CE2-CD2 3.43Å; Y204-H227 WeakPolarHBondContact CE2-CD2 3.32Å; Y204-H227 AromaticContact CE2-NE2 3.75Å; Y204-H227 AromaticContact CZ-CD2 3.79Å; I205-H227 PolarHBondContact O-N 2.99Å; R206-H227 CarbonylContact C-O 3.45Å; R206-H227 VanDerWaalsContact CA-O 3.32Å; R206-H227 WeakPolarHBondContact CA-O 3.33Å; R206-H227 HydrophobicContact CB-CB 3.9Å; R206-H227 HydrophobicContact CG-CB 3.66Å; I207-H227 PolarHBondContact N-O 2.77Å; E225-H227 IonicContact OE2-NE2 3.86Å; H227-D229 WeakPolarHBondContact CB-OD1 3.47Å
228	L	94.5	Very high	93	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.199	C	C	.	.			trans	-127.1	34.6	177.7	-63.4	174.7	0	0	0	109.7	I207 I215 L226 N231 I233 G251 L252 N255	I207-L228 HydrophobicContact CB-CD2 3.76Å; I207-L228 HydrophobicContact CD1-CD2 4.22Å; I207-L228 HydrophobicContact CG1-CD2 4.23Å; I207-L228 WeakPolarHBondContact O-CA 3.17Å; I215-L228 HydrophobicContact CB-CD1 4.26Å; I215-L228 HydrophobicContact CG1-CD1 3.86Å; I215-L228 HydrophobicContact CG2-CD1 3.93Å; L226-L228 HydrophobicContact CD1-CD1 4.35Å; L226-L228 HydrophobicContact CD1-CD2 4.33Å; L226-L228 HydrophobicContact CD1-CG 4.1Å; L226-L228 HydrophobicContact CD2-CD1 4.11Å; L226-L228 HydrophobicContact CG-CD1 4.21Å; L226-L228 HydrophobicContact CG-CG 4.15Å; L228-N231 PolarHBondContact O-ND2 3.14Å; L228-I233 HydrophobicContact CB-CD1 3.84Å; L228-I233 HydrophobicContact CD1-CD1 4.03Å; L228-I233 HydrophobicContact CG-CD1 4.49Å; L228-G251 WeakPolarHBondContact CA-O 3.49Å; L228-G251 PolarHBondContact N-O 2.92Å; L228-L252 HydrophobicContact CB-CD2 3.86Å; L228-L252 HydrophobicContact CD1-CD2 4.12Å; L228-N255 PolarHBondContact O-ND2 3.18Å
229	D	93.9	Very high	93.3	Very high	26 Å²	26	34.8 Å²	34.8	14%	0.139	20%	0.2	C	C	.	.			trans	-63.7	149.9	178.5	48.6	-68.1	0	0	0	112.7	R206 A208 D209 H227 N231 S253	R206-D229 IonicContact CZ-OD2 3.21Å; R206-D229 IonicContact NE-OD1 2.77Å; R206-D229 PolarHBondContact NE-OD1 2.85Å; R206-D229 IonicContact NE-OD2 2.78Å; R206-D229 PolarHBondContact NE-OD2 3.15Å; R206-D229 IonicContact NH2-OD1 2.77Å; R206-D229 IonicContact NH2-OD2 2.78Å; R206-D229 PolarHBondContact NH2-OD2 2.82Å; A208-D229 CarbonylContact C-O 3.37Å; A208-D229 WeakPolarHBondContact CA-O 3.42Å; A208-D229 WeakPolarHBondContact CB-O 3.47Å; A208-D229 VanDerWaalsContact CB-OD2 3.28Å; A208-D229 WeakPolarHBondContact CB-OD2 3.49Å; D209-D229 PolarHBondContact N-O 2.98Å; D209-D229 VanDerWaalsContact N-O 3.17Å; H227-D229 WeakPolarHBondContact CB-OD1 3.47Å; D229-N231 PolarHBondContact O-N 2.6Å; D229-N231 PolarHBondContact O-ND2 3.21Å; D229-S253 CarbonylContact C-O 3.31Å; D229-S253 VanDerWaalsContact CA-O 3.25Å; D229-S253 WeakPolarHBondContact CA-O 3.16Å
230	A	94.4	Very high	93.3	Very high	29 Å²	29	34.2 Å²	34.2	24%	0.24	20%	0.198	C	C	.	.	S	Bend	trans	56.8	46.3	175	0	0	0	0	0	113.9	D209 T210 S253 Y254	D209-A230 WeakPolarHBondContact CA-O 3.24Å; D209-A230 PolarHBondContact N-O 3.46Å; D209-A230 VanDerWaalsContact N-O 3.12Å; D209-A230 WeakPolarHBondContact OD1-CB 3.41Å; T210-A230 PolarHBondContact N-O 2.84Å; A230-S253 PolarHBondContact N-O 3.13Å; A230-Y254 CarbonylContact C-O 3.54Å; A230-Y254 WeakPolarHBondContact CA-O 3.23Å; A230-Y254 PolarHBondContact N-O 2.82Å
231	N	95	Very high	93.5	Very high	9 Å²	9	33.8 Å²	33.8	5%	0.048	20%	0.195	C	C	.	.	S	Bend	trans	-116.4	-165.9	172.7	-67.3	-71.6	0	0	0	110.6	I207 T210 L228 D229 I233 Y254 N255	I207-N231 PolarHBondContact O-ND2 2.88Å; T210-N231 VanDerWaalsContact CA-OD1 3.29Å; T210-N231 WeakPolarHBondContact CA-OD1 3.37Å; T210-N231 WeakPolarHBondContact CB-OD1 3.19Å; T210-N231 PolarHBondContact N-OD1 3.08Å; T210-N231 PolarHBondContact O-OD1 3.31Å; T210-N231 PolarHBondContact OG1-OD1 3.47Å; L228-N231 PolarHBondContact O-ND2 3.14Å; D229-N231 PolarHBondContact O-N 2.6Å; D229-N231 PolarHBondContact O-ND2 3.21Å; N231-I233 HydrophobicContact CB-CD1 4.34Å; N231-I233 HydrophobicContact CB-CG1 4.12Å; N231-Y254 PolarHBondContact N-O 3.19Å; N231-N255 VanDerWaalsContact CA-OD1 3.32Å; N231-N255 WeakPolarHBondContact CA-OD1 3.12Å; N231-N255 WeakPolarHBondContact CB-OD1 3.5Å; N231-N255 PolarHBondContact N-OD1 2.89Å; N231-N255 PolarHBondContact O-OD1 3.08Å
232	K	95.8	Very high	93.6	Very high	92 Å²	92	37.9 Å²	37.9	40%	0.4	20%	0.204	S	C	.	.			trans	-114.7	32	179	-62.1	-178.1	175.2	165.6	0	111.5	N211 I212 T213 T234 N255	N211-K232 WeakPolarHBondContact OD1-CE 3.29Å; N211-K232 PolarHBondContact OD1-NZ 3.38Å; I212-K232 CarbonylContact O-C 3.14Å; I212-K232 VanDerWaalsContact O-C 3.24Å; I212-K232 WeakPolarHBondContact O-CA 3.43Å; I212-K232 PolarHBondContact O-N 3.18Å; T213-K232 WeakPolarHBondContact CA-O 3.36Å; T213-K232 HydrophobicContact CG2-CB 4.3Å; K232-T234 PolarHBondContact O-N 2.83Å; K232-N255 PolarHBondContact N-OD1 2.85Å
233	I	96.6	Very high	93.5	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.21	C	C	.	.			trans	-68.1	129.3	-176.3	-60.5	169.7	0	0	0	108.8	I212 T213 I215 L228 N231 L252 N255 E256 I257	I212-I233 HydrophobicContact CG2-CG1 4.4Å; I212-I233 PolarHBondContact O-N 3.11Å; T213-I233 WeakPolarHBondContact O-CA 3.47Å; I215-I233 HydrophobicContact CG1-CD1 4.17Å; I215-I233 HydrophobicContact CG1-CG2 4.33Å; L228-I233 HydrophobicContact CB-CD1 3.84Å; L228-I233 HydrophobicContact CD1-CD1 4.03Å; L228-I233 HydrophobicContact CG-CD1 4.49Å; N231-I233 HydrophobicContact CB-CD1 4.34Å; N231-I233 HydrophobicContact CB-CG1 4.12Å; I233-L252 HydrophobicContact CD1-CD2 3.83Å; I233-N255 HydrophobicContact CB-CB 4.31Å; I233-N255 VanDerWaalsContact CB-OD1 3.25Å; I233-N255 WeakPolarHBondContact CB-OD1 3.07Å; I233-N255 WeakPolarHBondContact CG1-OD1 3.5Å; I233-N255 PolarHBondContact N-OD1 2.82Å; I233-E256 CarbonylContact O-C 3.58Å; I233-E256 WeakPolarHBondContact O-CA 3.35Å; I233-E256 PolarHBondContact O-N 3.29Å; I233-I257 HydrophobicContact CB-CG1 4.24Å; I233-I257 HydrophobicContact CG2-CD1 4.34Å; I233-I257 HydrophobicContact CG2-CG1 4.03Å; I233-I257 VanDerWaalsContact O-CG1 3.27Å; I233-I257 WeakPolarHBondContact O-CG1 3.41Å; I233-I257 PolarHBondContact O-N 3.14Å
234	T	95.5	Very high	93.6	Very high	59 Å²	59	38 Å²	38	36%	0.362	21%	0.21	S	C	.	.			trans	-102.8	-25.5	-174.3	56.5	0	0	0	0	114.1	T213 K232 E256 I257 S258	T213-T234 PolarHBondContact O-N 3.24Å; K232-T234 PolarHBondContact O-N 2.83Å; T234-E256 WeakPolarHBondContact CA-O 3.25Å; T234-E256 HydrophobicContact CG2-CB 4.43Å; T234-I257 WeakPolarHBondContact O-CA 3.33Å; T234-S258 PolarHBondContact O-N 3.01Å; T234-S258 PolarHBondContact O-OG 2.85Å; T234-S258 VanDerWaalsContact O-OG 3.07Å
235	K	95	Very high	93.6	Very high	118 Å²	118	42.9 Å²	42.9	51%	0.513	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	146.3	-176.4	-59.2	-174	-179.6	179.5	0	111.2	T259	K235-T259 WeakPolarHBondContact CA-O 3.25Å; K235-T259 WeakPolarHBondContact CG-OG1 3.27Å
236	V	96.1	Very high	93.6	Very high	4 Å²	4	45 Å²	45	2%	0.024	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	119	169.7	-178.6	0	0	0	0	108.2	I215 L241 L252 I257 T259 V260 E261	I215-V236 HydrophobicContact CD1-CB 4.45Å; I215-V236 HydrophobicContact CD1-CG1 4.03Å; I215-V236 HydrophobicContact CD1-CG2 4.18Å; V236-L241 HydrophobicContact CG1-CD1 3.86Å; V236-L241 HydrophobicContact CG1-CG 4.44Å; V236-L252 HydrophobicContact CG2-CD1 3.81Å; V236-I257 HydrophobicContact CG2-CD1 4.01Å; V236-I257 HydrophobicContact CG2-CG2 4.08Å; V236-T259 PolarHBondContact N-O 2.99Å; V236-T259 VanDerWaalsContact N-O 3.14Å; V236-V260 HydrophobicContact CB-CB 4.4Å; V236-V260 HydrophobicContact CB-CG1 4.14Å; V236-V260 HydrophobicContact CB-CG2 4.13Å; V236-V260 HydrophobicContact CG1-CG1 4.29Å; V236-V260 HydrophobicContact CG2-CG2 4.16Å; V236-E261 WeakPolarHBondContact O-CB 3.24Å; V236-E261 PolarHBondContact O-N 3.5Å
237	T	94.3	Very high	93.6	Very high	47 Å²	47	44.9 Å²	44.9	29%	0.288	24%	0.239	S	C	.	.			trans	-108.8	150.6	-178.8	67.3	0	0	0	0	111.8	S239 A240 E261	T237-S239 PolarHBondContact O-N 2.92Å; T237-S239 PolarHBondContact OG1-OG 2.89Å; T237-A240 PolarHBondContact O-N 3.24Å; T237-E261 WeakPolarHBondContact CA-OE2 3.16Å; T237-E261 WeakPolarHBondContact CB-OE2 3.01Å
238	S	92.3	Very high	93.7	Very high	33 Å²	33	44.2 Å²	44.2	23%	0.231	24%	0.239	C	C	.	.	H	α-helix	trans	-61.7	-35.8	178.1	178.5	0	0	0	0	111.5	A240 L241 K242 E261 S264 N267	S238-A240 VanDerWaalsContact C-N 3.29Å; S238-A240 PolarHBondContact O-N 3.12Å; S238-L241 PolarHBondContact O-N 2.86Å; S238-K242 PolarHBondContact O-N 3.03Å; S238-E261 PolarHBondContact N-OE2 2.79Å; S238-S264 PolarHBondContact N-OG 3.28Å; S238-S264 VanDerWaalsContact N-OG 3.16Å; S238-N267 PolarHBondContact O-ND2 2.84Å; S238-N267 PolarHBondContact OG-ND2 3.14Å
239	S	91.1	Very high	93.8	Very high	66 Å²	66	47.2 Å²	47.2	46%	0.462	25%	0.252	S	S	.	.	H	α-helix	trans	-62.6	-32.2	178.1	74.2	0	0	0	0	113.9	T237 K242	T237-S239 PolarHBondContact O-N 2.92Å; T237-S239 PolarHBondContact OG1-OG 2.89Å; S239-K242 WeakPolarHBondContact O-CB 3.26Å
240	A	90.8	Very high	94	Very high	4 Å²	4	46 Å²	46	3%	0.033	25%	0.246	C	C	.	.	H	α-helix	trans	-78	-33.6	-175.9	0	0	0	0	0	112.8	I215 T237 S238	I215-A240 HydrophobicContact CB-CB 3.77Å; I215-A240 HydrophobicContact CG2-CB 3.88Å; T237-A240 PolarHBondContact O-N 3.24Å; S238-A240 VanDerWaalsContact C-N 3.29Å; S238-A240 PolarHBondContact O-N 3.12Å
241	L	93.3	Very high	94.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-91.1	0.9	178.9	-59.8	-177.8	0	0	0	113.5	I215 V236 S238 G243 L244 L250 N267 V268	I215-L241 HydrophobicContact CD1-CD2 4.33Å; V236-L241 HydrophobicContact CG1-CD1 3.86Å; V236-L241 HydrophobicContact CG1-CG 4.44Å; S238-L241 PolarHBondContact O-N 2.86Å; L241-G243 PolarHBondContact O-N 2.79Å; L241-L244 HydrophobicContact CD2-CD1 4Å; L241-L244 WeakPolarHBondContact O-CB 3.5Å; L241-L244 PolarHBondContact O-N 2.85Å; L241-L250 HydrophobicContact CD1-CD2 4.17Å; L241-L250 HydrophobicContact CD2-CD2 4.3Å; L241-N267 HydrophobicContact CB-CB 4.26Å; L241-N267 WeakPolarHBondContact O-CB 3.32Å; L241-V268 HydrophobicContact CB-CG1 4.18Å
242	K	91.6	Very high	94.2	Very high	160 Å²	160	44.3 Å²	44.3	70%	0.696	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	124	-174.7	-172.9	175.9	-179.1	177.1	0	111.8	S238 S239	S238-K242 PolarHBondContact O-N 3.03Å; S239-K242 WeakPolarHBondContact O-CB 3.26Å
243	G	87.8	Confident	94.3	Very high	32 Å²	32	40.6 Å²	40.6	33%	0.33	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.7	1.9	173.1	0	0	0	0	0	115.5	S221 L241 K245	S221-G243 VanDerWaalsContact CB-O 3.28Å; S221-G243 WeakPolarHBondContact CB-O 3.39Å; L241-G243 PolarHBondContact O-N 2.79Å; G243-K245 PolarHBondContact O-N 3.26Å
244	L	92.9	Very high	94.3	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	24%	0.244	C	C	.	.			trans	-78.4	59.4	177.4	-63.4	-177.1	0	0	0	112.1	L219 P220 L223 L241 N246 L247 V268	L219-L244 HydrophobicContact CB-CD1 4.48Å; L219-L244 HydrophobicContact CB-CD2 3.89Å; L219-L244 HydrophobicContact CD1-CD1 4.26Å; P220-L244 WeakPolarHBondContact O-CD2 3.35Å; L223-L244 HydrophobicContact CB-CD2 4.5Å; L223-L244 HydrophobicContact CD1-CD2 4.21Å; L241-L244 HydrophobicContact CD2-CD1 4Å; L241-L244 WeakPolarHBondContact O-CB 3.5Å; L241-L244 PolarHBondContact O-N 2.85Å; L244-N246 VanDerWaalsContact C-N 3.28Å; L244-N246 PolarHBondContact O-N 3.4Å; L244-L247 HydrophobicContact CB-CB 4.21Å; L244-L247 HydrophobicContact CD1-CD2 4.3Å; L244-L247 PolarHBondContact O-N 2.91Å; L244-V268 HydrophobicContact CB-CG1 3.74Å
245	K	92.1	Very high	94.4	Very high	138 Å²	138	44.9 Å²	44.9	60%	0.6	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-26.9	-172.7	-66.3	-179.5	-178.8	-178.9	0	113.9	G243 H270	G243-K245 PolarHBondContact O-N 3.26Å; K245-H270 PolarHBondContact O-ND1 3.05Å
246	N	93.5	Very high	94.4	Very high	91 Å²	91	44.5 Å²	44.5	49%	0.487	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	1.4	-175.4	-61.4	-46.2	0	0	0	113.5	S221 L223 L244 A248	S221-N246 PolarHBondContact O-ND2 3.28Å; L223-N246 CarbonylContact O-C 3.37Å; L244-N246 VanDerWaalsContact C-N 3.28Å; L244-N246 PolarHBondContact O-N 3.4Å; N246-A248 PolarHBondContact O-N 3.2Å
247	L	95.8	Very high	94.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.228	C	C	.	.			trans	-67.4	120.7	-175.7	-163.4	75.2	0	0	0	109.8	L223 L226 L244 L250 V268 H270 L271	L223-L247 HydrophobicContact CB-CD1 4.12Å; L223-L247 WeakPolarHBondContact O-CA 3.27Å; L223-L247 PolarHBondContact O-N 3.01Å; L223-L247 VanDerWaalsContact O-N 3.16Å; L226-L247 HydrophobicContact CB-CD1 3.78Å; L244-L247 HydrophobicContact CB-CB 4.21Å; L244-L247 HydrophobicContact CD1-CD2 4.3Å; L244-L247 PolarHBondContact O-N 2.91Å; L247-L250 HydrophobicContact CD2-CB 4.11Å; L247-L250 HydrophobicContact CD2-CD1 4.35Å; L247-V268 HydrophobicContact CB-CG1 4.15Å; L247-V268 HydrophobicContact CD2-CG1 3.77Å; L247-H270 CarbonylContact O-C 3.23Å; L247-H270 VanDerWaalsContact O-C 3.23Å; L247-L271 HydrophobicContact CD2-CD1 4.21Å; L247-L271 HydrophobicContact CG-CD1 4.3Å; L247-L271 VanDerWaalsContact O-CA 3.23Å; L247-L271 WeakPolarHBondContact O-CA 3.4Å; L247-L271 PolarHBondContact O-N 2.78Å; L247-L271 VanDerWaalsContact O-N 3.14Å
248	A	96.2	Very high	94.6	Very high	20 Å²	20	44 Å²	44	17%	0.165	23%	0.228	C	C	.	.			trans	-102.7	-34.1	178.7	0	0	0	0	0	111.8	S224 N246 R272 E273	S224-A248 PolarHBondContact O-N 2.89Å; N246-A248 PolarHBondContact O-N 3.2Å; A248-R272 WeakPolarHBondContact O-CA 3.21Å; A248-R272 WeakPolarHBondContact O-CB 3.15Å; A248-R272 PolarHBondContact O-N 3.02Å; A248-E273 PolarHBondContact O-N 3.16Å
249	K	96.8	Very high	94.7	Very high	62 Å²	62	45.6 Å²	45.6	27%	0.27	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	131.9	179.2	-54.7	-172.3	-174.7	145.9	0	111.8	S224 E225 L226 E273	S224-K249 PolarHBondContact O-N 2.98Å; E225-K249 HydrophobicContact CB-CB 4.43Å; E225-K249 HydrophobicContact CG-CB 4.1Å; E225-K249 HydrophobicContact CG-CD 4.19Å; E225-K249 HydrophobicContact CG-CG 4.21Å; E225-K249 WeakPolarHBondContact OE1-CD 3.38Å; E225-K249 WeakPolarHBondContact OE1-CE 3.46Å; E225-K249 IonicContact OE1-NZ 3.94Å; E225-K249 PolarHBondContact OE1-NZ 3.45Å; L226-K249 PolarHBondContact N-O 2.96Å; K249-E273 WeakPolarHBondContact CA-O 3.37Å; K249-E273 HydrophobicContact CB-CB 4.41Å; K249-E273 WeakPolarHBondContact CD-OE2 3.3Å; K249-E273 WeakPolarHBondContact CE-OE1 3.32Å; K249-E273 WeakPolarHBondContact CE-OE2 3.26Å; K249-E273 HydrophobicContact CG-CB 4.07Å; K249-E273 HydrophobicContact CG-CG 4.28Å
250	L	97.1	Very high	94.9	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	107	175.5	180	56.8	0	0	0	109.7	L226 L241 L247 L252 L271 E273 L274 H275	L226-L250 HydrophobicContact CB-CD1 4.15Å; L226-L250 HydrophobicContact CD2-CD1 3.84Å; L226-L250 HydrophobicContact CG-CD1 4.09Å; L226-L250 WeakPolarHBondContact O-CA 3.49Å; L241-L250 HydrophobicContact CD1-CD2 4.17Å; L241-L250 HydrophobicContact CD2-CD2 4.3Å; L247-L250 HydrophobicContact CD2-CB 4.11Å; L247-L250 HydrophobicContact CD2-CD1 4.35Å; L250-L252 HydrophobicContact CD1-CD1 4.13Å; L250-L252 HydrophobicContact CD1-CG 4.11Å; L250-L252 HydrophobicContact CD2-CD1 3.89Å; L250-L252 HydrophobicContact CG-CD1 3.88Å; L250-L252 HydrophobicContact CG-CG 4.15Å; L250-L271 HydrophobicContact CB-CD1 3.72Å; L250-L271 HydrophobicContact CB-CD2 4.45Å; L250-E273 PolarHBondContact N-O 3.37Å; L250-L274 HydrophobicContact CB-CD1 4.11Å; L250-L274 HydrophobicContact CD2-CD1 3.88Å; L250-L274 HydrophobicContact CG-CD1 4.07Å; L250-H275 PolarHBondContact O-N 2.74Å
251	G	97.1	Very high	95.1	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	115.5	175	0	0	0	0	0	111.4	L226 L228	L226-G251 PolarHBondContact O-N 3.34Å; L228-G251 WeakPolarHBondContact CA-O 3.49Å; L228-G251 PolarHBondContact N-O 2.92Å
252	L	96.9	Very high	95.1	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	27%	0.271	C	S	.	.			trans	-130.6	20.2	176.3	-73.7	166.6	0	0	0	111.3	I215 L228 I233 V236 L250 N255 I257 H275 L276 N279	I215-L252 HydrophobicContact CD1-CD1 4.28Å; I215-L252 HydrophobicContact CD1-CD2 4.12Å; I215-L252 HydrophobicContact CG1-CD2 4.29Å; L228-L252 HydrophobicContact CB-CD2 3.86Å; L228-L252 HydrophobicContact CD1-CD2 4.12Å; I233-L252 HydrophobicContact CD1-CD2 3.83Å; V236-L252 HydrophobicContact CG2-CD1 3.81Å; L250-L252 HydrophobicContact CD1-CD1 4.13Å; L250-L252 HydrophobicContact CD1-CG 4.11Å; L250-L252 HydrophobicContact CD2-CD1 3.89Å; L250-L252 HydrophobicContact CG-CD1 3.88Å; L250-L252 HydrophobicContact CG-CG 4.15Å; L252-N255 PolarHBondContact O-ND2 3.4Å; L252-I257 HydrophobicContact CB-CD1 3.77Å; L252-I257 HydrophobicContact CD1-CD1 4.19Å; L252-I257 HydrophobicContact CD2-CD1 4.19Å; L252-I257 HydrophobicContact CG-CD1 4.29Å; L252-H275 CarbonylContact C-O 3.54Å; L252-H275 WeakPolarHBondContact CA-O 3.48Å; L252-H275 WeakPolarHBondContact CB-O 3.33Å; L252-H275 PolarHBondContact N-O 3.15Å; L252-L276 HydrophobicContact CB-CD2 3.73Å; L252-L276 HydrophobicContact CD1-CD2 3.88Å; L252-L276 HydrophobicContact CG-CD2 4.47Å; L252-N279 PolarHBondContact O-ND2 3.05Å
253	S	96.9	Very high	95.1	Very high	13 Å²	13	47.1 Å²	47.1	9%	0.091	25%	0.251	C	S	.	.			trans	-60.4	153.6	179.3	-49.1	0	0	0	0	112.3	D229 A230 N255 H275 D277	D229-S253 CarbonylContact C-O 3.31Å; D229-S253 VanDerWaalsContact CA-O 3.25Å; D229-S253 WeakPolarHBondContact CA-O 3.16Å; A230-S253 PolarHBondContact N-O 3.13Å; S253-N255 PolarHBondContact O-N 3.35Å; S253-N255 PolarHBondContact O-ND2 3.38Å; S253-N255 VanDerWaalsContact O-ND2 3.08Å; S253-H275 PolarHBondContact N-O 2.89Å; S253-H275 VanDerWaalsContact OG-CB 3.29Å; S253-H275 WeakPolarHBondContact OG-CB 3.46Å; S253-D277 CarbonylContact C-O 3.28Å; S253-D277 VanDerWaalsContact CA-O 3.26Å; S253-D277 WeakPolarHBondContact CA-O 3.38Å; S253-D277 VanDerWaalsContact CB-OD1 3.3Å; S253-D277 WeakPolarHBondContact CB-OD1 3.34Å; S253-D277 PolarHBondContact OG-OD1 3.19Å
254	Y	96.7	Very high	95.4	Very high	139 Å²	139	45.6 Å²	45.6	55%	0.545	24%	0.235	S	C	.	.	S	Bend	trans	54.3	55.5	177.5	-61.8	-88.7	0	0	0	112.2	A230 N231 D277 N278	A230-Y254 CarbonylContact C-O 3.54Å; A230-Y254 WeakPolarHBondContact CA-O 3.23Å; A230-Y254 PolarHBondContact N-O 2.82Å; N231-Y254 PolarHBondContact N-O 3.19Å; Y254-D277 PolarHBondContact N-O 3.48Å; Y254-N278 CarbonylContact C-O 3.56Å; Y254-N278 WeakPolarHBondContact CA-O 3.21Å; Y254-N278 HydrophobicContact CD1-CB 3.61Å; Y254-N278 HydrophobicContact CD2-CB 4.28Å; Y254-N278 HydrophobicContact CE1-CB 3.84Å; Y254-N278 VanDerWaalsContact CE1-CG 3.46Å; Y254-N278 HydrophobicContact CE2-CB 4.46Å; Y254-N278 HydrophobicContact CG-CB 3.85Å; Y254-N278 VanDerWaalsContact CZ-ND2 3.33Å; Y254-N278 PolarHBondContact N-O 3.32Å
255	N	97.4	Very high	95.4	Very high	11 Å²	11	45.9 Å²	45.9	6%	0.059	24%	0.236	C	C	.	.	S	Bend	trans	-127.1	-173	175.2	-85.5	-85.9	0	0	0	109.9	L228 N231 K232 I233 L252 S253 I257 N278 N279	L228-N255 PolarHBondContact O-ND2 3.18Å; N231-N255 VanDerWaalsContact CA-OD1 3.32Å; N231-N255 WeakPolarHBondContact CA-OD1 3.12Å; N231-N255 WeakPolarHBondContact CB-OD1 3.5Å; N231-N255 PolarHBondContact N-OD1 2.89Å; N231-N255 PolarHBondContact O-OD1 3.08Å; K232-N255 PolarHBondContact N-OD1 2.85Å; I233-N255 HydrophobicContact CB-CB 4.31Å; I233-N255 VanDerWaalsContact CB-OD1 3.25Å; I233-N255 WeakPolarHBondContact CB-OD1 3.07Å; I233-N255 WeakPolarHBondContact CG1-OD1 3.5Å; I233-N255 PolarHBondContact N-OD1 2.82Å; L252-N255 PolarHBondContact O-ND2 3.4Å; S253-N255 PolarHBondContact O-N 3.35Å; S253-N255 PolarHBondContact O-ND2 3.38Å; S253-N255 VanDerWaalsContact O-ND2 3.08Å; N255-I257 HydrophobicContact CB-CD1 4.05Å; N255-I257 HydrophobicContact CB-CG1 3.89Å; N255-N278 PolarHBondContact N-O 3.25Å; N255-N278 VanDerWaalsContact N-O 3.12Å; N255-N279 WeakPolarHBondContact CA-OD1 3.39Å; N255-N279 WeakPolarHBondContact CB-OD1 3.45Å; N255-N279 WeakPolarHBondContact O-CA 3.47Å; N255-N279 PolarHBondContact O-OD1 3.42Å
256	E	96.9	Very high	95.5	Very high	109 Å²	109	42.9 Å²	42.9	51%	0.509	24%	0.237	S	C	.	.			trans	-109.2	30	178.3	-63.2	177.5	-155.6	0	0	111.1	I233 T234 S258	I233-E256 CarbonylContact O-C 3.58Å; I233-E256 WeakPolarHBondContact O-CA 3.35Å; I233-E256 PolarHBondContact O-N 3.29Å; T234-E256 WeakPolarHBondContact CA-O 3.25Å; T234-E256 HydrophobicContact CG2-CB 4.43Å; E256-S258 PolarHBondContact O-N 3.24Å
257	I	97.6	Very high	95.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.223	C	C	.	.			trans	-70.1	119.2	-170.4	-58.7	167	0	0	0	109.4	I233 T234 V236 L252 N255 V260 L276 N279 A280 L281	I233-I257 HydrophobicContact CB-CG1 4.24Å; I233-I257 HydrophobicContact CG2-CD1 4.34Å; I233-I257 HydrophobicContact CG2-CG1 4.03Å; I233-I257 VanDerWaalsContact O-CG1 3.27Å; I233-I257 WeakPolarHBondContact O-CG1 3.41Å; I233-I257 PolarHBondContact O-N 3.14Å; T234-I257 WeakPolarHBondContact O-CA 3.33Å; V236-I257 HydrophobicContact CG2-CD1 4.01Å; V236-I257 HydrophobicContact CG2-CG2 4.08Å; L252-I257 HydrophobicContact CB-CD1 3.77Å; L252-I257 HydrophobicContact CD1-CD1 4.19Å; L252-I257 HydrophobicContact CD2-CD1 4.19Å; L252-I257 HydrophobicContact CG-CD1 4.29Å; N255-I257 HydrophobicContact CB-CD1 4.05Å; N255-I257 HydrophobicContact CB-CG1 3.89Å; I257-V260 HydrophobicContact CG2-CG2 4.45Å; I257-L276 HydrophobicContact CD1-CD2 3.74Å; I257-N279 HydrophobicContact CB-CB 4.33Å; I257-N279 WeakPolarHBondContact CB-OD1 3.34Å; I257-N279 WeakPolarHBondContact CG1-OD1 3.23Å; I257-N279 PolarHBondContact N-OD1 3.32Å; I257-A280 CarbonylContact O-C 3.05Å; I257-A280 VanDerWaalsContact O-CA 3.26Å; I257-A280 WeakPolarHBondContact O-CA 3.28Å; I257-A280 PolarHBondContact O-N 3.19Å; I257-L281 HydrophobicContact CG2-CD2 3.79Å; I257-L281 PolarHBondContact O-N 3.09Å
258	S	95.5	Very high	95.5	Very high	41 Å²	41	40.3 Å²	40.3	29%	0.287	22%	0.223	S	C	.	.			trans	-99	-34.4	179.1	54.2	0	0	0	0	112.9	T234 E256	T234-S258 PolarHBondContact O-N 3.01Å; T234-S258 PolarHBondContact O-OG 2.85Å; T234-S258 VanDerWaalsContact O-OG 3.07Å; E256-S258 PolarHBondContact O-N 3.24Å
259	T	94.6	Very high	95.5	Very high	67 Å²	67	41.7 Å²	41.7	41%	0.411	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	138.8	-175.2	61.3	0	0	0	0	111.9	K235 V236	K235-T259 WeakPolarHBondContact CA-O 3.25Å; K235-T259 WeakPolarHBondContact CG-OG1 3.27Å; V236-T259 PolarHBondContact N-O 2.99Å; V236-T259 VanDerWaalsContact N-O 3.14Å
260	V	96.4	Very high	95.4	Very high	17 Å²	17	42.6 Å²	42.6	10%	0.103	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	120.4	166.9	179.4	0	0	0	0	108.2	V236 I257 L276 L281 P285 P286	V236-V260 HydrophobicContact CB-CB 4.4Å; V236-V260 HydrophobicContact CB-CG1 4.14Å; V236-V260 HydrophobicContact CB-CG2 4.13Å; V236-V260 HydrophobicContact CG1-CG1 4.29Å; V236-V260 HydrophobicContact CG2-CG2 4.16Å; I257-V260 HydrophobicContact CG2-CG2 4.45Å; V260-L276 HydrophobicContact CG2-CD1 4.34Å; V260-L281 HydrophobicContact CG2-CD2 4.03Å; V260-P285 HydrophobicContact CB-CB 4.09Å; V260-P285 HydrophobicContact CG1-CB 4.21Å; V260-P285 HydrophobicContact CG2-CB 4.12Å; V260-P285 HydrophobicContact CG2-CG 4.16Å; V260-P286 WeakPolarHBondContact O-CD 3.35Å; V260-P286 WeakPolarHBondContact O-CG 3.46Å
261	E	95.2	Very high	95.4	Very high	98 Å²	98	42.6 Å²	42.6	46%	0.458	24%	0.235	S	C	.	.			trans	-66.3	139.7	-178.5	-175.4	-172.9	-179.9	0	0	111.1	V236 T237 S238 S264	V236-E261 WeakPolarHBondContact O-CB 3.24Å; V236-E261 PolarHBondContact O-N 3.5Å; T237-E261 WeakPolarHBondContact CA-OE2 3.16Å; T237-E261 WeakPolarHBondContact CB-OE2 3.01Å; S238-E261 PolarHBondContact N-OE2 2.79Å; E261-S264 WeakPolarHBondContact CB-OG 2.9Å; E261-S264 WeakPolarHBondContact O-CB 3.4Å; E261-S264 PolarHBondContact O-N 3.13Å; E261-S264 VanDerWaalsContact O-N 3.12Å; E261-S264 PolarHBondContact O-OG 2.81Å
262	N	92.4	Very high	95.4	Very high	121 Å²	121	48.5 Å²	48.5	65%	0.647	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	140.8	176.9	-167.2	9.1	0	0	0	111.2	S264 P286	N262-S264 PolarHBondContact O-N 3.17Å; N262-P286 HydrophobicContact CB-CB 4.44Å; N262-P286 HydrophobicContact CB-CG 4.2Å
263	G	91.4	Very high	95.4	Very high	26 Å²	26	51.3 Å²	51.3	27%	0.268	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	-5.6	-175.1	0	0	0	0	0	114.9	L265 A266 N267	G263-L265 VanDerWaalsContact C-N 3.34Å; G263-L265 PolarHBondContact O-N 2.88Å; G263-A266 WeakPolarHBondContact O-CB 3.22Å; G263-A266 PolarHBondContact O-N 3.24Å; G263-A266 VanDerWaalsContact O-N 3.12Å; G263-N267 PolarHBondContact O-ND2 3.1Å
264	S	93.9	Very high	95.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-46	176	-60.8	0	0	0	0	112.2	S238 E261 N262 A266 N267	S238-S264 PolarHBondContact N-OG 3.28Å; S238-S264 VanDerWaalsContact N-OG 3.16Å; E261-S264 WeakPolarHBondContact CB-OG 2.9Å; E261-S264 WeakPolarHBondContact O-CB 3.4Å; E261-S264 PolarHBondContact O-N 3.13Å; E261-S264 VanDerWaalsContact O-N 3.12Å; E261-S264 PolarHBondContact O-OG 2.81Å; N262-S264 PolarHBondContact O-N 3.17Å; S264-A266 PolarHBondContact O-N 3.36Å; S264-N267 WeakPolarHBondContact O-CB 3.36Å; S264-N267 PolarHBondContact O-N 2.82Å
265	L	94.1	Very high	95.5	Very high	7 Å²	7	46.1 Å²	46.1	4%	0.037	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-69.6	-20.6	178.9	-61.1	-178.2	0	0	0	113	G263 N267 V268 L271 L274 P285 L288	G263-L265 VanDerWaalsContact C-N 3.34Å; G263-L265 PolarHBondContact O-N 2.88Å; L265-N267 PolarHBondContact O-N 2.96Å; L265-V268 HydrophobicContact CD2-CG2 4.35Å; L265-V268 VanDerWaalsContact O-CG2 3.28Å; L265-V268 WeakPolarHBondContact O-CG2 3.38Å; L265-V268 PolarHBondContact O-N 2.89Å; L265-L271 HydrophobicContact CD2-CD2 4.37Å; L265-L274 HydrophobicContact CD1-CD2 4.31Å; L265-L274 HydrophobicContact CD2-CD2 4.07Å; L265-P285 HydrophobicContact CD1-CB 4.42Å; L265-L288 HydrophobicContact CD1-CD2 3.8Å; L265-L288 HydrophobicContact CD1-CG 4.05Å
266	A	93.4	Very high	95.5	Very high	74 Å²	74	45.8 Å²	45.8	61%	0.612	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-69.1	-22.5	175.6	0	0	0	0	0	112.4	G263 S264 V268	G263-A266 WeakPolarHBondContact O-CB 3.22Å; G263-A266 PolarHBondContact O-N 3.24Å; G263-A266 VanDerWaalsContact O-N 3.12Å; S264-A266 PolarHBondContact O-N 3.36Å; A266-V268 VanDerWaalsContact C-N 3.28Å; A266-V268 PolarHBondContact O-N 2.89Å
267	N	94.4	Very high	95.5	Very high	38 Å²	38	41 Å²	41	20%	0.203	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-76.3	-13.9	175.8	-68.4	-67.4	0	0	0	113.8	S238 L241 G263 S264 L265 P269	S238-N267 PolarHBondContact O-ND2 2.84Å; S238-N267 PolarHBondContact OG-ND2 3.14Å; L241-N267 HydrophobicContact CB-CB 4.26Å; L241-N267 WeakPolarHBondContact O-CB 3.32Å; G263-N267 PolarHBondContact O-ND2 3.1Å; S264-N267 WeakPolarHBondContact O-CB 3.36Å; S264-N267 PolarHBondContact O-N 2.82Å; L265-N267 PolarHBondContact O-N 2.96Å; N267-P269 VanDerWaalsContact O-CD 3.27Å; N267-P269 WeakPolarHBondContact O-CD 3.39Å
268	V	95.6	Very high	95.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.238	C	C	.	.			trans	-118.6	58	-179.6	-72.4	0	0	0	0	110.8	L241 L244 L247 L265 A266 H270 L271 H291	L241-V268 HydrophobicContact CB-CG1 4.18Å; L244-V268 HydrophobicContact CB-CG1 3.74Å; L247-V268 HydrophobicContact CB-CG1 4.15Å; L247-V268 HydrophobicContact CD2-CG1 3.77Å; L265-V268 HydrophobicContact CD2-CG2 4.35Å; L265-V268 VanDerWaalsContact O-CG2 3.28Å; L265-V268 WeakPolarHBondContact O-CG2 3.38Å; L265-V268 PolarHBondContact O-N 2.89Å; A266-V268 VanDerWaalsContact C-N 3.28Å; A266-V268 PolarHBondContact O-N 2.89Å; V268-H270 PolarHBondContact O-N 2.93Å; V268-L271 HydrophobicContact CB-CB 4.32Å; V268-L271 HydrophobicContact CG2-CB 4.23Å; V268-L271 HydrophobicContact CG2-CD2 4.18Å; V268-L271 WeakPolarHBondContact O-CB 3.42Å; V268-L271 PolarHBondContact O-N 2.73Å; V268-H291 PolarHBondContact O-NE2 3.01Å
269	P	94.4	Very high	95.6	Very high	49 Å²	49	42 Å²	42	32%	0.318	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-19.4	-165.4	26.1	-37.7	0	0	0	115.3	N267 H291 Y293	N267-P269 VanDerWaalsContact O-CD 3.27Å; N267-P269 WeakPolarHBondContact O-CD 3.39Å; P269-H291 PolarHBondContact O-CE1 3.38Å; P269-H291 PolarHBondContact O-NE2 3.29Å; P269-Y293 WeakPolarHBondContact O-CD2 3.29Å
270	H	95.6	Very high	95.7	Very high	80 Å²	80	39.8 Å²	39.8	37%	0.37	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	14.9	-179	-59.5	104.6	0	0	0	113.4	K245 L247 V268 R272 Y293	K245-H270 PolarHBondContact O-ND1 3.05Å; L247-H270 CarbonylContact O-C 3.23Å; L247-H270 VanDerWaalsContact O-C 3.23Å; V268-H270 PolarHBondContact O-N 2.93Å; H270-R272 PolarHBondContact O-N 3Å; H270-Y293 AromaticContact CD2-CE2 3.69Å; H270-Y293 AromaticContact CD2-CZ 3.84Å
271	L	96.6	Very high	95.8	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.01	21%	0.213	C	C	.	.			trans	-61.4	131.5	178.5	-169.2	72.2	0	0	0	110.9	L247 L250 L265 V268 L274 H291 Y293 V294	L247-L271 HydrophobicContact CD2-CD1 4.21Å; L247-L271 HydrophobicContact CG-CD1 4.3Å; L247-L271 VanDerWaalsContact O-CA 3.23Å; L247-L271 WeakPolarHBondContact O-CA 3.4Å; L247-L271 PolarHBondContact O-N 2.78Å; L247-L271 VanDerWaalsContact O-N 3.14Å; L250-L271 HydrophobicContact CB-CD1 3.72Å; L250-L271 HydrophobicContact CB-CD2 4.45Å; L265-L271 HydrophobicContact CD2-CD2 4.37Å; V268-L271 HydrophobicContact CB-CB 4.32Å; V268-L271 HydrophobicContact CG2-CB 4.23Å; V268-L271 HydrophobicContact CG2-CD2 4.18Å; V268-L271 WeakPolarHBondContact O-CB 3.42Å; V268-L271 PolarHBondContact O-N 2.73Å; L271-L274 HydrophobicContact CD2-CB 3.98Å; L271-L274 HydrophobicContact CD2-CD1 4.2Å; L271-L274 HydrophobicContact CD2-CG 4.47Å; L271-H291 PolarHBondContact O-CE1 3.23Å; L271-Y293 CarbonylContact O-C 3.07Å; L271-V294 WeakPolarHBondContact O-CA 3.35Å; L271-V294 PolarHBondContact O-N 3.2Å; L271-V294 VanDerWaalsContact O-N 3.11Å
272	R	96.7	Very high	95.8	Very high	126 Å²	126	38.6 Å²	38.6	48%	0.475	22%	0.216	S	C	.	.			trans	-109.7	-41.4	179.1	-63.2	-175.1	177.9	-130.8	3	112	A248 H270 Q295 V296	A248-R272 WeakPolarHBondContact O-CA 3.21Å; A248-R272 WeakPolarHBondContact O-CB 3.15Å; A248-R272 PolarHBondContact O-N 3.02Å; H270-R272 PolarHBondContact O-N 3Å; R272-Q295 PolarHBondContact O-N 3.47Å; R272-V296 PolarHBondContact O-N 3.01Å
273	E	97.6	Very high	95.9	Very high	60 Å²	60	36 Å²	36	28%	0.28	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	123.9	-176.6	-56.3	177.8	-159.2	0	0	110.1	A248 K249 L250 H275 V296	A248-E273 PolarHBondContact O-N 3.16Å; K249-E273 WeakPolarHBondContact CA-O 3.37Å; K249-E273 HydrophobicContact CB-CB 4.41Å; K249-E273 WeakPolarHBondContact CD-OE2 3.3Å; K249-E273 WeakPolarHBondContact CE-OE1 3.32Å; K249-E273 WeakPolarHBondContact CE-OE2 3.26Å; K249-E273 HydrophobicContact CG-CB 4.07Å; K249-E273 HydrophobicContact CG-CG 4.28Å; L250-E273 PolarHBondContact N-O 3.37Å; E273-H275 IonicContact OE2-NE2 3.81Å; E273-V296 WeakPolarHBondContact CA-O 3.47Å; E273-V296 HydrophobicContact CB-CB 4.34Å; E273-V296 HydrophobicContact CG-CB 4.06Å; E273-V296 HydrophobicContact CG-CG2 4.22Å
274	L	97.6	Very high	96.2	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.01	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	111	177.1	178.4	59.3	0	0	0	109.2	L250 L265 L271 L276 L288 V296 V297 Y298	L250-L274 HydrophobicContact CB-CD1 4.11Å; L250-L274 HydrophobicContact CD2-CD1 3.88Å; L250-L274 HydrophobicContact CG-CD1 4.07Å; L265-L274 HydrophobicContact CD1-CD2 4.31Å; L265-L274 HydrophobicContact CD2-CD2 4.07Å; L271-L274 HydrophobicContact CD2-CB 3.98Å; L271-L274 HydrophobicContact CD2-CD1 4.2Å; L271-L274 HydrophobicContact CD2-CG 4.47Å; L274-L276 HydrophobicContact CD1-CD1 3.93Å; L274-L276 HydrophobicContact CD1-CG 3.99Å; L274-L276 HydrophobicContact CD2-CD1 3.75Å; L274-L276 HydrophobicContact CG-CD1 3.83Å; L274-L276 HydrophobicContact CG-CG 4.11Å; L274-L288 HydrophobicContact CD2-CD2 4.31Å; L274-V296 PolarHBondContact N-O 3.24Å; L274-V297 WeakPolarHBondContact O-CA 3.36Å; L274-Y298 PolarHBondContact O-N 3.1Å
275	H	97.9	Very high	96.3	Very high	41 Å²	41	35.2 Å²	35.2	19%	0.19	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	113.7	175.8	-53.6	176.3	0	0	0	109.5	L250 L252 S253 E273 Y298	L250-H275 PolarHBondContact O-N 2.74Å; L252-H275 CarbonylContact C-O 3.54Å; L252-H275 WeakPolarHBondContact CA-O 3.48Å; L252-H275 WeakPolarHBondContact CB-O 3.33Å; L252-H275 PolarHBondContact N-O 3.15Å; S253-H275 PolarHBondContact N-O 2.89Å; S253-H275 VanDerWaalsContact OG-CB 3.29Å; S253-H275 WeakPolarHBondContact OG-CB 3.46Å; E273-H275 IonicContact OE2-NE2 3.81Å; H275-Y298 HydrophobicContact CB-CD2 4.44Å; H275-Y298 AromaticContact CD2-CD2 3.38Å; H275-Y298 WeakPolarHBondContact CD2-CD2 3.38Å; H275-Y298 AromaticContact CD2-CE2 3.83Å; H275-Y298 AromaticContact CE1-CE2 3.96Å; H275-Y298 AromaticContact CG-CD2 3.79Å; H275-Y298 AromaticContact NE2-CD2 3.59Å; H275-Y298 AromaticContact NE2-CE2 3.5Å
276	L	97.3	Very high	96.3	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.016	21%	0.211	C	C	.	.			trans	-129.3	21.7	178.9	-80.3	168.9	0	0	0	110.6	L252 I257 V260 L274 N279 L281 P285 Y298 L299 N302	L252-L276 HydrophobicContact CB-CD2 3.73Å; L252-L276 HydrophobicContact CD1-CD2 3.88Å; L252-L276 HydrophobicContact CG-CD2 4.47Å; I257-L276 HydrophobicContact CD1-CD2 3.74Å; V260-L276 HydrophobicContact CG2-CD1 4.34Å; L274-L276 HydrophobicContact CD1-CD1 3.93Å; L274-L276 HydrophobicContact CD1-CG 3.99Å; L274-L276 HydrophobicContact CD2-CD1 3.75Å; L274-L276 HydrophobicContact CG-CD1 3.83Å; L274-L276 HydrophobicContact CG-CG 4.11Å; L276-N279 PolarHBondContact O-ND2 2.99Å; L276-L281 HydrophobicContact CB-CD1 3.98Å; L276-L281 HydrophobicContact CD1-CD1 4.26Å; L276-P285 HydrophobicContact CD1-CG 3.64Å; L276-Y298 CarbonylContact C-O 3.54Å; L276-Y298 VanDerWaalsContact C-O 3.28Å; L276-Y298 WeakPolarHBondContact CA-O 3.3Å; L276-Y298 PolarHBondContact N-O 2.92Å; L276-L299 HydrophobicContact CB-CD2 3.8Å; L276-L299 HydrophobicContact CD1-CD2 4.27Å; L276-N302 PolarHBondContact O-ND2 3.25Å
277	D	97.1	Very high	96.2	Very high	10 Å²	10	34.7 Å²	34.7	5%	0.053	19%	0.192	C	C	.	.			trans	-70.4	160.9	177.6	62.3	-77.9	0	0	0	112.5	S253 Y254 N279 Y298 H300	S253-D277 CarbonylContact C-O 3.28Å; S253-D277 VanDerWaalsContact CA-O 3.26Å; S253-D277 WeakPolarHBondContact CA-O 3.38Å; S253-D277 VanDerWaalsContact CB-OD1 3.3Å; S253-D277 WeakPolarHBondContact CB-OD1 3.34Å; S253-D277 PolarHBondContact OG-OD1 3.19Å; Y254-D277 PolarHBondContact N-O 3.48Å; D277-N279 PolarHBondContact O-N 3.29Å; D277-N279 PolarHBondContact O-ND2 2.98Å; D277-Y298 PolarHBondContact N-O 3.24Å; D277-H300 CarbonylContact C-O 3.59Å; D277-H300 WeakPolarHBondContact CA-O 3.34Å; D277-H300 WeakPolarHBondContact CB-CE1 3.32Å; D277-H300 WeakPolarHBondContact CB-O 3.45Å; D277-H300 IonicContact OD2-CE1 3.99Å; D277-H300 PolarHBondContact OD2-CE1 3.08Å; D277-H300 IonicContact OD2-NE2 3.55Å
278	N	97.4	Very high	96.2	Very high	46 Å²	46	32.9 Å²	32.9	25%	0.246	18%	0.182	C	C	.	.	S	Bend	trans	53.8	56.9	-179.6	-65.2	-80	0	0	0	111.6	Y254 N255 H300 A301	Y254-N278 CarbonylContact C-O 3.56Å; Y254-N278 WeakPolarHBondContact CA-O 3.21Å; Y254-N278 HydrophobicContact CD1-CB 3.61Å; Y254-N278 HydrophobicContact CD2-CB 4.28Å; Y254-N278 HydrophobicContact CE1-CB 3.84Å; Y254-N278 VanDerWaalsContact CE1-CG 3.46Å; Y254-N278 HydrophobicContact CE2-CB 4.46Å; Y254-N278 HydrophobicContact CG-CB 3.85Å; Y254-N278 VanDerWaalsContact CZ-ND2 3.33Å; Y254-N278 PolarHBondContact N-O 3.32Å; N255-N278 PolarHBondContact N-O 3.25Å; N255-N278 VanDerWaalsContact N-O 3.12Å; N278-H300 PolarHBondContact N-O 3.07Å; N278-A301 CarbonylContact C-O 3.6Å; N278-A301 WeakPolarHBondContact CA-O 3.43Å; N278-A301 PolarHBondContact N-O 2.95Å; N278-A301 WeakPolarHBondContact OD1-CB 3.04Å
279	N	98.1	Very high	96.1	Very high	14 Å²	14	33.8 Å²	33.8	8%	0.075	19%	0.188	C	C	.	.	S	Bend	trans	-135.3	-170.1	-177.9	-89.8	-78.2	0	0	0	110.4	L252 N255 I257 L276 D277 L281 A301 N302	L252-N279 PolarHBondContact O-ND2 3.05Å; N255-N279 WeakPolarHBondContact CA-OD1 3.39Å; N255-N279 WeakPolarHBondContact CB-OD1 3.45Å; N255-N279 WeakPolarHBondContact O-CA 3.47Å; N255-N279 PolarHBondContact O-OD1 3.42Å; I257-N279 HydrophobicContact CB-CB 4.33Å; I257-N279 WeakPolarHBondContact CB-OD1 3.34Å; I257-N279 WeakPolarHBondContact CG1-OD1 3.23Å; I257-N279 PolarHBondContact N-OD1 3.32Å; L276-N279 PolarHBondContact O-ND2 2.99Å; D277-N279 PolarHBondContact O-N 3.29Å; D277-N279 PolarHBondContact O-ND2 2.98Å; N279-L281 HydrophobicContact CB-CG 4.45Å; N279-A301 PolarHBondContact N-O 3.21Å; N279-A301 VanDerWaalsContact N-O 3.11Å; N279-N302 VanDerWaalsContact CA-OD1 3.31Å; N279-N302 WeakPolarHBondContact CA-OD1 3.31Å; N279-N302 WeakPolarHBondContact CB-OD1 3.47Å; N279-N302 PolarHBondContact O-OD1 3.11Å
280	A	97.3	Very high	96	Very high	22 Å²	22	37.4 Å²	37.4	18%	0.182	21%	0.205	C	C	.	.			trans	-113.9	24.7	-179.3	0	0	0	0	0	113	I257 N302 K303	I257-A280 CarbonylContact O-C 3.05Å; I257-A280 VanDerWaalsContact O-CA 3.26Å; I257-A280 WeakPolarHBondContact O-CA 3.28Å; I257-A280 PolarHBondContact O-N 3.19Å; A280-N302 PolarHBondContact N-OD1 3.41Å; A280-K303 HydrophobicContact CB-CD 4.43Å
281	L	97.3	Very high	95.9	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.016	19%	0.19	C	C	.	.			trans	-64.9	134	-176.2	-65.9	171.4	0	0	0	111	I257 V260 L276 N279 P285 L299 N302 K303 I304	I257-L281 HydrophobicContact CG2-CD2 3.79Å; I257-L281 PolarHBondContact O-N 3.09Å; V260-L281 HydrophobicContact CG2-CD2 4.03Å; L276-L281 HydrophobicContact CB-CD1 3.98Å; L276-L281 HydrophobicContact CD1-CD1 4.26Å; N279-L281 HydrophobicContact CB-CG 4.45Å; L281-P285 HydrophobicContact CD1-CG 4.38Å; L281-L299 HydrophobicContact CD1-CD2 3.76Å; L281-N302 HydrophobicContact CB-CB 4.24Å; L281-N302 VanDerWaalsContact CB-OD1 3.27Å; L281-N302 WeakPolarHBondContact CB-OD1 3.42Å; L281-N302 WeakPolarHBondContact CG-OD1 3.43Å; L281-N302 PolarHBondContact N-OD1 3.07Å; L281-K303 CarbonylContact O-C 2.96Å; L281-K303 WeakPolarHBondContact O-CA 3.43Å; L281-K303 WeakPolarHBondContact O-CB 3.17Å; L281-K303 PolarHBondContact O-N 3.38Å; L281-I304 HydrophobicContact CB-CG1 4.39Å; L281-I304 PolarHBondContact O-N 3.26Å; L281-I304 VanDerWaalsContact O-N 3.09Å
282	T	95.8	Very high	95.7	Very high	87 Å²	87	38.9 Å²	38.9	53%	0.534	21%	0.21	S	C	.	.	S	Bend	trans	-96.3	-18.3	178.7	54.2	0	0	0	0	113.8	I304 G305	T282-I304 WeakPolarHBondContact O-CA 3.26Å; T282-G305 PolarHBondContact O-N 2.79Å
283	S	95.5	Very high	95.6	Very high	65 Å²	65	38 Å²	38	46%	0.455	21%	0.208	S	C	.	.	S	Bend	trans	-143.9	164.4	177.5	64	0	0	0	0	110.6
284	V	96	Very high	95.5	Very high	8 Å²	8	35.1 Å²	35.1	5%	0.048	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-63.5	138.8	172.9	179	0	0	0	0	109.6	L288 L299 I304 V307 D311 F312	V284-L288 HydrophobicContact CG1-CD1 3.58Å; V284-L299 HydrophobicContact CG1-CD1 4.09Å; V284-L299 HydrophobicContact CG2-CD1 4.36Å; V284-I304 HydrophobicContact CG2-CD1 4.46Å; V284-I304 HydrophobicContact CG2-CG2 4.45Å; V284-V307 HydrophobicContact CG2-CG1 4.22Å; V284-V307 HydrophobicContact CG2-CG2 4.17Å; V284-D311 HydrophobicContact CB-CB 3.93Å; V284-D311 HydrophobicContact CG1-CB 3.96Å; V284-D311 HydrophobicContact CG2-CB 4.19Å; V284-F312 HydrophobicContact CG1-CE1 4.02Å; V284-F312 HydrophobicContact CG1-CE2 4.24Å; V284-F312 HydrophobicContact CG1-CZ 3.83Å; V284-F312 HydrophobicContact CG2-CE2 4.02Å; V284-F312 HydrophobicContact CG2-CZ 3.95Å
285	P	95.8	Very high	95.4	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.019	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-58.1	132.2	-179.5	-26.9	34.9	0	0	0	113.1	V260 L265 L276 L281 L299	V260-P285 HydrophobicContact CB-CB 4.09Å; V260-P285 HydrophobicContact CG1-CB 4.21Å; V260-P285 HydrophobicContact CG2-CB 4.12Å; V260-P285 HydrophobicContact CG2-CG 4.16Å; L265-P285 HydrophobicContact CD1-CB 4.42Å; L276-P285 HydrophobicContact CD1-CG 3.64Å; L281-P285 HydrophobicContact CD1-CG 4.38Å; P285-L299 HydrophobicContact CG-CD2 4.03Å
286	P	94.1	Very high	95.4	Very high	48 Å²	48	37 Å²	37	31%	0.312	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	148.4	179.1	28.6	-35.3	0	0	0	111.9	V260 N262	V260-P286 WeakPolarHBondContact O-CD 3.35Å; V260-P286 WeakPolarHBondContact O-CG 3.46Å; N262-P286 HydrophobicContact CB-CB 4.44Å; N262-P286 HydrophobicContact CB-CG 4.2Å
287	G	92.3	Very high	95.4	Very high	21 Å²	21	36.9 Å²	36.9	22%	0.216	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.8	-3.6	175.7	0	0	0	0	0	115.5	D290 H291	G287-D290 PolarHBondContact O-N 3.42Å; G287-H291 WeakPolarHBondContact O-CB 3.34Å; G287-H291 PolarHBondContact O-N 3.32Å; G287-H291 VanDerWaalsContact O-N 3.16Å
288	L	94.7	Very high	95.4	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-39.6	170.1	-72.4	175.9	0	0	0	114.2	L265 L274 V284 D290 H291 V294 V297 D311 F312 K321 Y324	L265-L288 HydrophobicContact CD1-CD2 3.8Å; L265-L288 HydrophobicContact CD1-CG 4.05Å; L274-L288 HydrophobicContact CD2-CD2 4.31Å; V284-L288 HydrophobicContact CG1-CD1 3.58Å; L288-D290 PolarHBondContact O-N 2.87Å; L288-H291 PolarHBondContact O-N 2.98Å; L288-V294 HydrophobicContact CD2-CG1 4.34Å; L288-V294 HydrophobicContact CD2-CG2 4.45Å; L288-V297 HydrophobicContact CD1-CG1 4.23Å; L288-V297 HydrophobicContact CD2-CG2 4.02Å; L288-D311 WeakPolarHBondContact CB-O 3.22Å; L288-F312 HydrophobicContact CD1-CD1 4.11Å; L288-F312 HydrophobicContact CD1-CE1 4.07Å; L288-K321 PolarHBondContact O-NZ 3.29Å; L288-Y324 PolarHBondContact O-OH 3.33Å
289	P	92.9	Very high	95.4	Very high	18 Å²	18	37.6 Å²	37.6	12%	0.117	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-44.2	-179.5	-24.2	36.3	0	0	0	112.5	H291 E310 D311 P314 K321	P289-H291 VanDerWaalsContact C-N 3.3Å; P289-H291 PolarHBondContact O-N 3.21Å; P289-E310 WeakPolarHBondContact CG-O 3.37Å; P289-D311 WeakPolarHBondContact CD-O 3.45Å; P289-P314 HydrophobicContact CB-CB 4.41Å; P289-K321 PolarHBondContact O-NZ 3.47Å
290	D	92.4	Very high	95.3	Very high	125 Å²	125	38.5 Å²	38.5	67%	0.668	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-19	-178.6	-60	-45	0	0	0	112.9	G287 L288 K292	G287-D290 PolarHBondContact O-N 3.42Å; L288-D290 PolarHBondContact O-N 2.87Å; D290-K292 PolarHBondContact O-N 3Å
291	H	93.8	Very high	95.2	Very high	13 Å²	13	38.8 Å²	38.8	6%	0.06	21%	0.208	C	C	.	.			trans	-71.8	118.5	-179.4	-161.2	-76.2	0	0	0	111.6	V268 P269 L271 G287 L288 P289 Y293 V294 K321	V268-H291 PolarHBondContact O-NE2 3.01Å; P269-H291 PolarHBondContact O-CE1 3.38Å; P269-H291 PolarHBondContact O-NE2 3.29Å; L271-H291 PolarHBondContact O-CE1 3.23Å; G287-H291 WeakPolarHBondContact O-CB 3.34Å; G287-H291 PolarHBondContact O-N 3.32Å; G287-H291 VanDerWaalsContact O-N 3.16Å; L288-H291 PolarHBondContact O-N 2.98Å; P289-H291 VanDerWaalsContact C-N 3.3Å; P289-H291 PolarHBondContact O-N 3.21Å; H291-Y293 PolarHBondContact ND1-N 3.02Å; H291-V294 HydrophobicContact CB-CG1 3.86Å; H291-V294 WeakPolarHBondContact ND1-CB 3.48Å; H291-V294 PolarHBondContact ND1-N 2.88Å; H291-K321 PolarHBondContact O-NZ 3.25Å
292	K	93.1	Very high	95.2	Very high	101 Å²	101	39.1 Å²	39.1	44%	0.439	21%	0.21	S	C	.	.	S	Bend	trans	-79.9	-28.8	-169.9	-65.8	175.9	-175.4	168.3	0	114.6	D290 A322	D290-K292 PolarHBondContact O-N 3Å; K292-A322 WeakPolarHBondContact O-CB 3.45Å; K292-A322 PolarHBondContact O-N 2.92Å
293	Y	94.9	Very high	95.3	Very high	106 Å²	106	41.3 Å²	41.3	42%	0.416	21%	0.212	S	C	.	.	S	Bend	trans	-110.6	-4.1	-167.6	-66	-88.8	0	0	0	114.8	P269 H270 L271 H291 Q295	P269-Y293 WeakPolarHBondContact O-CD2 3.29Å; H270-Y293 AromaticContact CD2-CE2 3.69Å; H270-Y293 AromaticContact CD2-CZ 3.84Å; L271-Y293 CarbonylContact O-C 3.07Å; H291-Y293 PolarHBondContact ND1-N 3.02Å; Y293-Q295 PolarHBondContact O-N 3.43Å
294	V	95.4	Very high	95.3	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	19%	0.191	C	C	.	.			trans	-74.2	129.6	-175.8	62.5	0	0	0	0	109	L271 L288 H291 V297 Y324	L271-V294 WeakPolarHBondContact O-CA 3.35Å; L271-V294 PolarHBondContact O-N 3.2Å; L271-V294 VanDerWaalsContact O-N 3.11Å; L288-V294 HydrophobicContact CD2-CG1 4.34Å; L288-V294 HydrophobicContact CD2-CG2 4.45Å; H291-V294 HydrophobicContact CB-CG1 3.86Å; H291-V294 WeakPolarHBondContact ND1-CB 3.48Å; H291-V294 PolarHBondContact ND1-N 2.88Å; V294-V297 HydrophobicContact CG2-CG2 3.51Å; V294-Y324 HydrophobicContact CG1-CE1 3.73Å; V294-Y324 HydrophobicContact CG2-CE1 4.34Å
295	Q	95.3	Very high	95.2	Very high	65 Å²	65	39.7 Å²	39.7	30%	0.304	21%	0.208	S	C	.	.			trans	-120.8	-37.7	-175.2	-68.9	178.8	-41.3	0	0	111.2	R272 Y293 A322 Y324 S325 G326	R272-Q295 PolarHBondContact O-N 3.47Å; Y293-Q295 PolarHBondContact O-N 3.43Å; Q295-A322 HydrophobicContact CG-CB 3.96Å; Q295-Y324 CarbonylContact O-C 3.21Å; Q295-Y324 VanDerWaalsContact O-CA 3.26Å; Q295-Y324 WeakPolarHBondContact O-CA 3.35Å; Q295-S325 PolarHBondContact O-N 2.78Å; Q295-S325 PolarHBondContact O-OG 3.1Å; Q295-G326 PolarHBondContact O-N 3.23Å
296	V	96.8	Very high	95.1	Very high	17 Å²	17	42.7 Å²	42.7	10%	0.103	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	126.3	-178.5	-175.7	0	0	0	0	109.6	R272 E273 L274 Y298 S325 G326	R272-V296 PolarHBondContact O-N 3.01Å; E273-V296 WeakPolarHBondContact CA-O 3.47Å; E273-V296 HydrophobicContact CB-CB 4.34Å; E273-V296 HydrophobicContact CG-CB 4.06Å; E273-V296 HydrophobicContact CG-CG2 4.22Å; L274-V296 PolarHBondContact N-O 3.24Å; V296-Y298 HydrophobicContact CG1-CD1 3.98Å; V296-Y298 HydrophobicContact CG1-CE1 3.49Å; V296-Y298 VanDerWaalsContact CG1-CE1 3.49Å; V296-Y298 HydrophobicContact CG1-CE2 4.06Å; V296-Y298 HydrophobicContact CG1-CG 4.48Å; V296-S325 VanDerWaalsContact CG2-OG 3.3Å; V296-S325 WeakPolarHBondContact CG2-OG 3.2Å; V296-G326 CarbonylContact C-O 3.56Å; V296-G326 VanDerWaalsContact CA-O 3.32Å; V296-G326 WeakPolarHBondContact CA-O 3.15Å
297	V	97.3	Very high	95.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	113.2	177.4	-177.3	0	0	0	0	109.2	L274 L288 V294 L299 F312 Y324 G326 I327 S328	L274-V297 WeakPolarHBondContact O-CA 3.36Å; L288-V297 HydrophobicContact CD1-CG1 4.23Å; L288-V297 HydrophobicContact CD2-CG2 4.02Å; V294-V297 HydrophobicContact CG2-CG2 3.51Å; V297-L299 HydrophobicContact CG1-CD1 3.85Å; V297-L299 HydrophobicContact CG1-CD2 4.47Å; V297-L299 HydrophobicContact CG1-CG 3.86Å; V297-F312 HydrophobicContact CG1-CE1 4.46Å; V297-Y324 HydrophobicContact CG2-CD1 4.2Å; V297-Y324 HydrophobicContact CG2-CE1 3.8Å; V297-G326 PolarHBondContact N-O 3.29Å; V297-I327 WeakPolarHBondContact O-CA 3.28Å; V297-S328 PolarHBondContact O-N 3.01Å; V297-S328 VanDerWaalsContact O-N 3.1Å
298	Y	97.7	Very high	95.3	Very high	72 Å²	72	41.8 Å²	41.8	28%	0.282	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	120.5	175.3	-62	-28.1	0	0	0	111.7	L274 H275 L276 D277 V296 S328	L274-Y298 PolarHBondContact O-N 3.1Å; H275-Y298 HydrophobicContact CB-CD2 4.44Å; H275-Y298 AromaticContact CD2-CD2 3.38Å; H275-Y298 WeakPolarHBondContact CD2-CD2 3.38Å; H275-Y298 AromaticContact CD2-CE2 3.83Å; H275-Y298 AromaticContact CE1-CE2 3.96Å; H275-Y298 AromaticContact CG-CD2 3.79Å; H275-Y298 AromaticContact NE2-CD2 3.59Å; H275-Y298 AromaticContact NE2-CE2 3.5Å; L276-Y298 CarbonylContact C-O 3.54Å; L276-Y298 VanDerWaalsContact C-O 3.28Å; L276-Y298 WeakPolarHBondContact CA-O 3.3Å; L276-Y298 PolarHBondContact N-O 2.92Å; D277-Y298 PolarHBondContact N-O 3.24Å; V296-Y298 HydrophobicContact CG1-CD1 3.98Å; V296-Y298 HydrophobicContact CG1-CE1 3.49Å; V296-Y298 VanDerWaalsContact CG1-CE1 3.49Å; V296-Y298 HydrophobicContact CG1-CE2 4.06Å; V296-Y298 HydrophobicContact CG1-CG 4.48Å; Y298-S328 WeakPolarHBondContact CA-OG 3.23Å; Y298-S328 WeakPolarHBondContact CB-OG 3.45Å; Y298-S328 VanDerWaalsContact CD1-OG 3.27Å; Y298-S328 WeakPolarHBondContact CD1-OG 3.28Å
299	L	97.1	Very high	95.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.243	C	C	.	.			trans	-132	10.1	-178.4	-64.2	167.9	0	0	0	111.9	L276 L281 V284 P285 V297 N302 I304 F312 S328 L329 N332	L276-L299 HydrophobicContact CB-CD2 3.8Å; L276-L299 HydrophobicContact CD1-CD2 4.27Å; L281-L299 HydrophobicContact CD1-CD2 3.76Å; V284-L299 HydrophobicContact CG1-CD1 4.09Å; V284-L299 HydrophobicContact CG2-CD1 4.36Å; P285-L299 HydrophobicContact CG-CD2 4.03Å; V297-L299 HydrophobicContact CG1-CD1 3.85Å; V297-L299 HydrophobicContact CG1-CD2 4.47Å; V297-L299 HydrophobicContact CG1-CG 3.86Å; L299-N302 PolarHBondContact O-ND2 3.43Å; L299-I304 HydrophobicContact CB-CD1 3.99Å; L299-I304 HydrophobicContact CD1-CD1 4.33Å; L299-F312 HydrophobicContact CD1-CE1 4.09Å; L299-F312 HydrophobicContact CD1-CZ 3.97Å; L299-S328 CarbonylContact C-O 3.55Å; L299-S328 VanDerWaalsContact C-O 3.28Å; L299-S328 VanDerWaalsContact CA-O 3.29Å; L299-S328 WeakPolarHBondContact CA-O 3.49Å; L299-S328 WeakPolarHBondContact CB-O 3.32Å; L299-S328 PolarHBondContact N-O 2.86Å; L299-S328 PolarHBondContact N-OG 2.03Å; L299-L329 HydrophobicContact CB-CD2 3.9Å; L299-L329 HydrophobicContact CD1-CD2 4.14Å; L299-N332 PolarHBondContact O-ND2 2.8Å
300	H	96.3	Very high	95.3	Very high	33 Å²	33	48.1 Å²	48.1	15%	0.153	26%	0.26	C	S	.	.			trans	-63	157.5	177.9	69.3	71.3	0	0	0	112	D277 N278 N302 S328 F330	D277-H300 CarbonylContact C-O 3.59Å; D277-H300 WeakPolarHBondContact CA-O 3.34Å; D277-H300 WeakPolarHBondContact CB-CE1 3.32Å; D277-H300 WeakPolarHBondContact CB-O 3.45Å; D277-H300 IonicContact OD2-CE1 3.99Å; D277-H300 PolarHBondContact OD2-CE1 3.08Å; D277-H300 IonicContact OD2-NE2 3.55Å; N278-H300 PolarHBondContact N-O 3.07Å; H300-N302 PolarHBondContact O-ND2 3.31Å; H300-S328 PolarHBondContact CD2-OG 3.13Å; H300-S328 PolarHBondContact N-O 2.96Å; H300-S328 VanDerWaalsContact N-O 3.14Å; H300-F330 CarbonylContact C-O 3.59Å; H300-F330 WeakPolarHBondContact CA-O 3.28Å; H300-F330 HydrophobicContact CB-CD1 3.66Å; H300-F330 HydrophobicContact CB-CD2 3.76Å; H300-F330 HydrophobicContact CB-CE1 3.49Å; H300-F330 VanDerWaalsContact CB-CE1 3.49Å; H300-F330 HydrophobicContact CB-CE2 3.59Å; H300-F330 HydrophobicContact CB-CG 3.79Å; H300-F330 HydrophobicContact CB-CZ 3.45Å; H300-F330 VanDerWaalsContact CB-CZ 3.45Å; H300-F330 VanDerWaalsContact CB-O 3.23Å; H300-F330 WeakPolarHBondContact CB-O 3.36Å; H300-F330 AromaticContact CD2-CE1 3.5Å; H300-F330 VanDerWaalsContact CD2-CE1 3.5Å; H300-F330 WeakPolarHBondContact CD2-CE1 3.22Å; H300-F330 AromaticContact CD2-CZ 3.27Å; H300-F330 WeakPolarHBondContact CD2-CZ 3.49Å; H300-F330 AromaticContact CG-CE1 3.62Å; H300-F330 AromaticContact CG-CE2 3.62Å; H300-F330 AromaticContact CG-CZ 3.22Å; H300-F330 AromaticContact ND1-CE2 3.82Å; H300-F330 AromaticContact ND1-CZ 3.69Å; H300-F330 AromaticContact NE2-CZ 3.81Å
301	A	96.1	Very high	95.4	Very high	27 Å²	27	44.5 Å²	44.5	22%	0.223	24%	0.241	C	C	.	.	S	Bend	trans	54.8	53.7	-178.6	0	0	0	0	0	112.4	N278 N279 F330 S331	N278-A301 CarbonylContact C-O 3.6Å; N278-A301 WeakPolarHBondContact CA-O 3.43Å; N278-A301 PolarHBondContact N-O 2.95Å; N278-A301 WeakPolarHBondContact OD1-CB 3.04Å; N279-A301 PolarHBondContact N-O 3.21Å; N279-A301 VanDerWaalsContact N-O 3.11Å; A301-F330 PolarHBondContact N-O 3.34Å; A301-S331 VanDerWaalsContact CA-O 3.25Å; A301-S331 WeakPolarHBondContact CA-O 3.42Å; A301-S331 PolarHBondContact N-O 3.29Å
302	N	97.2	Very high	95.4	Very high	10 Å²	10	43.9 Å²	43.9	5%	0.053	24%	0.238	C	C	.	.	S	Bend	trans	-124.6	-168.2	173.7	-88.3	-79	0	0	0	110	L276 N279 A280 L281 L299 H300 I304 S331 N332	L276-N302 PolarHBondContact O-ND2 3.25Å; N279-N302 VanDerWaalsContact CA-OD1 3.31Å; N279-N302 WeakPolarHBondContact CA-OD1 3.31Å; N279-N302 WeakPolarHBondContact CB-OD1 3.47Å; N279-N302 PolarHBondContact O-OD1 3.11Å; A280-N302 PolarHBondContact N-OD1 3.41Å; L281-N302 HydrophobicContact CB-CB 4.24Å; L281-N302 VanDerWaalsContact CB-OD1 3.27Å; L281-N302 WeakPolarHBondContact CB-OD1 3.42Å; L281-N302 WeakPolarHBondContact CG-OD1 3.43Å; L281-N302 PolarHBondContact N-OD1 3.07Å; L299-N302 PolarHBondContact O-ND2 3.43Å; H300-N302 PolarHBondContact O-ND2 3.31Å; N302-I304 HydrophobicContact CB-CD1 4.27Å; N302-I304 HydrophobicContact CB-CG1 4.09Å; N302-S331 PolarHBondContact N-O 2.72Å; N302-N332 VanDerWaalsContact CA-OD1 3.24Å; N302-N332 WeakPolarHBondContact CA-OD1 3.27Å; N302-N332 WeakPolarHBondContact CB-OD1 3.33Å; N302-N332 PolarHBondContact N-OD1 3.28Å; N302-N332 PolarHBondContact O-OD1 3.45Å
303	K	96.8	Very high	95.4	Very high	133 Å²	133	39 Å²	39	58%	0.578	22%	0.217	S	C	*	.			trans	-112.8	29.5	178.3	-60	-178.2	-178.9	177.8	0	111.9	A280 L281 G305 N332	A280-K303 HydrophobicContact CB-CD 4.43Å; L281-K303 CarbonylContact O-C 2.96Å; L281-K303 WeakPolarHBondContact O-CA 3.43Å; L281-K303 WeakPolarHBondContact O-CB 3.17Å; L281-K303 PolarHBondContact O-N 3.38Å; K303-G305 PolarHBondContact O-N 3.17Å; K303-N332 PolarHBondContact N-OD1 2.73Å
304	I	96.3	Very high	95.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.201	C	C	.	.			trans	-69.1	114.3	-175.8	-60.5	170.7	0	0	0	109.5	L281 T282 V284 L299 N302 A306 V307 L329 N332 P333 V334	L281-I304 HydrophobicContact CB-CG1 4.39Å; L281-I304 PolarHBondContact O-N 3.26Å; L281-I304 VanDerWaalsContact O-N 3.09Å; T282-I304 WeakPolarHBondContact O-CA 3.26Å; V284-I304 HydrophobicContact CG2-CD1 4.46Å; V284-I304 HydrophobicContact CG2-CG2 4.45Å; L299-I304 HydrophobicContact CB-CD1 3.99Å; L299-I304 HydrophobicContact CD1-CD1 4.33Å; N302-I304 HydrophobicContact CB-CD1 4.27Å; N302-I304 HydrophobicContact CB-CG1 4.09Å; I304-A306 WeakPolarHBondContact CG2-O 3.36Å; I304-V307 HydrophobicContact CG2-CG2 4.03Å; I304-L329 HydrophobicContact CD1-CD2 4.08Å; I304-N332 HydrophobicContact CB-CB 4.29Å; I304-N332 WeakPolarHBondContact CB-OD1 3.21Å; I304-N332 WeakPolarHBondContact CG1-OD1 3.41Å; I304-N332 PolarHBondContact N-OD1 3.3Å; I304-P333 WeakPolarHBondContact O-CD 3.45Å; I304-V334 HydrophobicContact CG2-CG1 4.4Å; I304-V334 WeakPolarHBondContact O-CB 3.03Å; I304-V334 PolarHBondContact O-N 3.29Å
305	G	93.5	Very high	94.9	Very high	40 Å²	40	39.1 Å²	39.1	41%	0.412	23%	0.23	S	C	.	.			trans	-87.9	-28.7	-176.3	0	0	0	0	0	114.4	T282 K303	T282-G305 PolarHBondContact O-N 2.79Å; K303-G305 PolarHBondContact O-N 3.17Å
306	A	94.3	Very high	94.3	Very high	65 Å²	65	38.2 Å²	38.2	54%	0.537	24%	0.238	S	C	.	.			trans	-148.9	154.4	179.8	0	0	0	0	0	110.3	I304	I304-A306 WeakPolarHBondContact CG2-O 3.36Å
307	V	95.8	Very high	93.4	Very high	18 Å²	18	45.4 Å²	45.4	11%	0.109	27%	0.268	C	S	.	.			trans	-129.6	118.2	176.2	-178.6	0	0	0	0	108.7	V284 I304 D311 F312 V334 V339 T343	V284-V307 HydrophobicContact CG2-CG1 4.22Å; V284-V307 HydrophobicContact CG2-CG2 4.17Å; I304-V307 HydrophobicContact CG2-CG2 4.03Å; V307-D311 WeakPolarHBondContact CA-OD2 3.46Å; V307-D311 HydrophobicContact CG1-CB 4.27Å; V307-F312 HydrophobicContact CG1-CD2 4.29Å; V307-F312 HydrophobicContact CG1-CE2 3.78Å; V307-V334 HydrophobicContact CG2-CG1 4.16Å; V307-V334 HydrophobicContact CG2-CG2 4.3Å; V307-V339 HydrophobicContact CB-CG1 4.31Å; V307-V339 HydrophobicContact CB-CG2 4.27Å; V307-V339 HydrophobicContact CG1-CG1 4.3Å; V307-V339 HydrophobicContact CG2-CG2 4.35Å; V307-T343 HydrophobicContact CG1-CG2 3.74Å
308	G	94.3	Very high	92.7	Very high	32 Å²	32	48.1 Å²	48.1	33%	0.33	28%	0.283	S	S	.	.			trans	-73.7	162.1	177.9	0	0	0	0	0	113.4	E310 D311 T343	G308-E310 PolarHBondContact O-N 3.14Å; G308-D311 VanDerWaalsContact N-CG 3.3Å; G308-D311 PolarHBondContact N-OD2 2.96Å; G308-D311 PolarHBondContact O-N 3.03Å; G308-T343 VanDerWaalsContact O-CG2 3.28Å; G308-T343 WeakPolarHBondContact O-CG2 3.46Å; G308-T343 PolarHBondContact O-OG1 3.35Å
309	T	93.3	Very high	92	Very high	50 Å²	50	50.4 Å²	50.4	31%	0.307	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-19	177.2	50.9	0	0	0	0	113.5	Q340 I342 T343 R345	T309-Q340 HydrophobicContact CG2-CB 4.25Å; T309-Q340 HydrophobicContact CG2-CG 4.39Å; T309-I342 HydrophobicContact CG2-CG2 3.59Å; T309-T343 WeakPolarHBondContact CA-OG1 2.81Å; T309-R345 PolarHBondContact O-NH1 3.24Å
310	E	93.9	Very high	91.5	Very high	103 Å²	103	58 Å²	58	48%	0.481	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.8	14.9	-177.5	-60.9	-173	178.8	0	0	112.5	P289 G308 C313	P289-E310 WeakPolarHBondContact CG-O 3.37Å; G308-E310 PolarHBondContact O-N 3.14Å; E310-C313 WeakPolarHBondContact CA-O 3.45Å
311	D	94.6	Very high	91.3	Very high	48 Å²	48	57.3 Å²	57.3	26%	0.257	33%	0.334	S	S	.	.	S	Bend	trans	-72.3	-31	-178.4	-77.5	0.8	0	0	0	112.6	V284 L288 P289 V307 G308	V284-D311 HydrophobicContact CB-CB 3.93Å; V284-D311 HydrophobicContact CG1-CB 3.96Å; V284-D311 HydrophobicContact CG2-CB 4.19Å; L288-D311 WeakPolarHBondContact CB-O 3.22Å; P289-D311 WeakPolarHBondContact CD-O 3.45Å; V307-D311 WeakPolarHBondContact CA-OD2 3.46Å; V307-D311 HydrophobicContact CG1-CB 4.27Å; G308-D311 VanDerWaalsContact N-CG 3.3Å; G308-D311 PolarHBondContact N-OD2 2.96Å; G308-D311 PolarHBondContact O-N 3.03Å
312	F	94.5	Very high	91	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	33%	0.334	C	S	.	.	S	Bend	trans	-111.6	-37.8	-179.1	-65.9	-80.5	0	0	0	113.3	V284 L288 V297 L299 V307 K321 Y324 I327 L329 T343 F344	V284-F312 HydrophobicContact CG1-CE1 4.02Å; V284-F312 HydrophobicContact CG1-CE2 4.24Å; V284-F312 HydrophobicContact CG1-CZ 3.83Å; V284-F312 HydrophobicContact CG2-CE2 4.02Å; V284-F312 HydrophobicContact CG2-CZ 3.95Å; L288-F312 HydrophobicContact CD1-CD1 4.11Å; L288-F312 HydrophobicContact CD1-CE1 4.07Å; V297-F312 HydrophobicContact CG1-CE1 4.46Å; L299-F312 HydrophobicContact CD1-CE1 4.09Å; L299-F312 HydrophobicContact CD1-CZ 3.97Å; V307-F312 HydrophobicContact CG1-CD2 4.29Å; V307-F312 HydrophobicContact CG1-CE2 3.78Å; F312-K321 WeakPolarHBondContact O-CE 3.35Å; F312-Y324 HydrophobicContact CB-CE2 3.98Å; F312-Y324 VanDerWaalsContact O-CE2 3.28Å; F312-Y324 WeakPolarHBondContact O-CE2 3.28Å; F312-Y324 PolarHBondContact O-OH 3.18Å; F312-I327 HydrophobicContact CD1-CD1 3.88Å; F312-I327 HydrophobicContact CE1-CD1 4.25Å; F312-I327 HydrophobicContact CE1-CG2 3.91Å; F312-I327 HydrophobicContact CG-CD1 4.19Å; F312-I327 HydrophobicContact CZ-CG2 3.96Å; F312-L329 HydrophobicContact CE2-CD1 4.02Å; F312-L329 HydrophobicContact CZ-CD1 3.99Å; F312-L329 HydrophobicContact CZ-CD2 4.41Å; F312-L329 HydrophobicContact CZ-CG 4.48Å; F312-T343 HydrophobicContact CD2-CG2 3.87Å; F312-T343 HydrophobicContact CE2-CG2 4.48Å; F312-F344 HydrophobicContact CD2-CD1 4.37Å; F312-F344 AromaticContact CD2-CE1 3.87Å; F312-F344 HydrophobicContact CD2-CE1 3.87Å; F312-F344 AromaticContact CE2-CE1 3.93Å; F312-F344 HydrophobicContact CE2-CE1 3.93Å
313	C	93.4	Very high	90.8	Very high	0 Å²	0	61 Å²	61	0%	0	35%	0.352	C	S	.	.	S	Bend	trans	-114.8	137.2	-171.4	-61.2	0	0	0	0	111.3	E310 T343 R345 C346	E310-C313 WeakPolarHBondContact CA-O 3.45Å; C313-T343 PolarHBondContact SG-O 2.91Å; C313-T343 VanDerWaalsContact SG-O 3.34Å; C313-R345 HydrophobicContact CB-CG 3.72Å; C313-R345 PolarHBondContact O-NH2 2.69Å; C313-C346 WeakPolarHBondContact CA-SG 3.5Å; C313-C346 HydrophobicContact CB-CB 3.87Å; C313-C346 WeakPolarHBondContact CB-SG 3.49Å; C313-C346 VanDerWaalsContact SG-CA 3.6Å; C313-C346 WeakPolarHBondContact SG-CB 3.49Å; C313-C346 PolarHBondContact SG-N 3.12Å; C313-C346 CovalentContact SG-SG 2.03Å; C313-C346 PolarHBondContact SG-SG 3.32Å
314	P	91.5	Very high	90.7	Very high	14 Å²	14	54.7 Å²	54.7	9%	0.091	33%	0.325	C	S	.	.			trans	-68.7	152.9	176.8	28.2	-33.9	0	0	0	111.5	P289 G316 N318 K321 R345	P289-P314 HydrophobicContact CB-CB 4.41Å; P314-G316 VanDerWaalsContact C-N 3.28Å; P314-G316 PolarHBondContact O-N 3.37Å; P314-N318 HydrophobicContact CG-CB 3.98Å; P314-K321 HydrophobicContact CG-CD 4.12Å; P314-R345 PolarHBondContact O-NE 3.34Å; P314-R345 PolarHBondContact O-NH2 3.16Å
315	P	86.3	Confident	90.6	Very high	95 Å²	95	58 Å²	58	62%	0.617	35%	0.348	S	S	*	.	S	Bend	trans	-55	-41.6	-176.3	16.6	-29.7	0	0	0	112.9
316	G	84.3	Confident	90.7	Very high	45 Å²	45	56.4 Å²	56.4	46%	0.464	33%	0.331	S	S	.	.	S	Bend	trans	-96.2	156.3	174	0	0	0	0	0	113.3	P314 N318	P314-G316 VanDerWaalsContact C-N 3.28Å; P314-G316 PolarHBondContact O-N 3.37Å; G316-N318 PolarHBondContact O-N 3.28Å
317	F	77.8	Confident	90.8	Very high	168 Å²	168	53.3 Å²	53.3	74%	0.737	31%	0.305	S	S	*	.			trans	-65.8	118.2	172.7	-167.3	-99.1	0	0	0	110.4	T319	F317-T319 HydrophobicContact CD1-CG2 4.03Å; F317-T319 HydrophobicContact CE1-CG2 3.86Å
318	N	82.9	Confident	90.8	Very high	57 Å²	57	52.4 Å²	52.4	31%	0.305	30%	0.3	S	S	.	.			trans	-109.3	102.2	-179.1	-175.2	-7.6	0	0	0	110.1	P314 G316 K320 K321	P314-N318 HydrophobicContact CG-CB 3.98Å; G316-N318 PolarHBondContact O-N 3.28Å; N318-K320 PolarHBondContact O-N 2.96Å; N318-K320 VanDerWaalsContact O-N 3.13Å; N318-K320 WeakPolarHBondContact OD1-CB 3.43Å; N318-K320 PolarHBondContact OD1-N 2.88Å; N318-K321 HydrophobicContact CB-CB 4.08Å; N318-K321 PolarHBondContact O-N 3.49Å; N318-K321 VanDerWaalsContact O-N 3.08Å
319	T	83.1	Confident	90.8	Very high	121 Å²	121	51.1 Å²	51.1	74%	0.742	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-17.7	179.4	53.5	0	0	0	0	113.8	F317	F317-T319 HydrophobicContact CD1-CG2 4.03Å; F317-T319 HydrophobicContact CE1-CG2 3.86Å
320	K	86.3	Confident	90.8	Very high	159 Å²	159	50.5 Å²	50.5	69%	0.691	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-7.8	178.8	-59	-178.6	-179	177.6	0	113.1	N318	N318-K320 PolarHBondContact O-N 2.96Å; N318-K320 VanDerWaalsContact O-N 3.13Å; N318-K320 WeakPolarHBondContact OD1-CB 3.43Å; N318-K320 PolarHBondContact OD1-N 2.88Å
321	K	90.8	Very high	90.9	Very high	18 Å²	18	49.7 Å²	49.7	8%	0.078	28%	0.284	C	S	.	.	S	Bend	trans	-87.6	127	177	-176.7	-178	175.1	74.3	0	109	L288 P289 H291 F312 P314 N318 Y324	L288-K321 PolarHBondContact O-NZ 3.29Å; P289-K321 PolarHBondContact O-NZ 3.47Å; H291-K321 PolarHBondContact O-NZ 3.25Å; F312-K321 WeakPolarHBondContact O-CE 3.35Å; P314-K321 HydrophobicContact CG-CD 4.12Å; N318-K321 HydrophobicContact CB-CB 4.08Å; N318-K321 PolarHBondContact O-N 3.49Å; N318-K321 VanDerWaalsContact O-N 3.08Å; K321-Y324 PolarHBondContact NZ-OH 3.14Å; K321-Y324 VanDerWaalsContact NZ-OH 3.17Å
322	A	91.4	Very high	90.9	Very high	26 Å²	26	48.4 Å²	48.4	22%	0.215	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-62.2	136.7	169.8	0	0	0	0	0	109.9	K292 Q295	K292-A322 WeakPolarHBondContact O-CB 3.45Å; K292-A322 PolarHBondContact O-N 2.92Å; Q295-A322 HydrophobicContact CG-CB 3.96Å
323	M	91.8	Very high	90.9	Very high	90 Å²	90	52.7 Å²	52.7	44%	0.443	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-69.5	145.9	172.8	-66.7	174.9	178.1	0	0	109.9	C346 F348	M323-C346 WeakPolarHBondContact CA-O 3.33Å; M323-F348 HydrophobicContact CB-CB 4.05Å; M323-F348 HydrophobicContact SD-CB 4.17Å; M323-F348 HydrophobicContact SD-CD2 3.79Å; M323-F348 HydrophobicContact SD-CG 4.49Å
324	Y	95.2	Very high	90.9	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-69.7	134	174.4	-63.5	-82.7	0	0	0	110.5	L288 V294 Q295 V297 F312 K321 I327 C346 V347 F348	L288-Y324 PolarHBondContact O-OH 3.33Å; V294-Y324 HydrophobicContact CG1-CE1 3.73Å; V294-Y324 HydrophobicContact CG2-CE1 4.34Å; Q295-Y324 CarbonylContact O-C 3.21Å; Q295-Y324 VanDerWaalsContact O-CA 3.26Å; Q295-Y324 WeakPolarHBondContact O-CA 3.35Å; V297-Y324 HydrophobicContact CG2-CD1 4.2Å; V297-Y324 HydrophobicContact CG2-CE1 3.8Å; F312-Y324 HydrophobicContact CB-CE2 3.98Å; F312-Y324 VanDerWaalsContact O-CE2 3.28Å; F312-Y324 WeakPolarHBondContact O-CE2 3.28Å; F312-Y324 PolarHBondContact O-OH 3.18Å; K321-Y324 PolarHBondContact NZ-OH 3.14Å; K321-Y324 VanDerWaalsContact NZ-OH 3.17Å; Y324-I327 HydrophobicContact CD1-CD1 4.26Å; Y324-I327 HydrophobicContact CD1-CG1 4.22Å; Y324-I327 HydrophobicContact CD2-CD1 4.02Å; Y324-I327 HydrophobicContact CG-CD1 3.83Å; Y324-I327 HydrophobicContact CG-CG1 4.12Å; Y324-C346 VanDerWaalsContact CE2-SG 3.56Å; Y324-C346 PolarHBondContact N-O 3.33Å; Y324-V347 HydrophobicContact CD2-CG2 4.21Å; Y324-F348 PolarHBondContact O-N 3.16Å
325	S	94.1	Very high	90.8	Very high	69 Å²	69	53.9 Å²	53.9	48%	0.483	31%	0.312	S	S	.	.	S	Bend	trans	-99.3	-15.7	172.3	58.3	0	0	0	0	112.6	Q295 V296 A352	Q295-S325 PolarHBondContact O-N 2.78Å; Q295-S325 PolarHBondContact O-OG 3.1Å; V296-S325 VanDerWaalsContact CG2-OG 3.3Å; V296-S325 WeakPolarHBondContact CG2-OG 3.2Å; S325-A352 WeakPolarHBondContact O-CB 3.44Å
326	G	94.9	Very high	90.9	Very high	6 Å²	6	56.3 Å²	56.3	6%	0.062	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	124.9	177.1	0	0	0	0	0	112.9	Q295 V296 V297 A352	Q295-G326 PolarHBondContact O-N 3.23Å; V296-G326 CarbonylContact C-O 3.56Å; V296-G326 VanDerWaalsContact CA-O 3.32Å; V296-G326 WeakPolarHBondContact CA-O 3.15Å; V297-G326 PolarHBondContact N-O 3.29Å; G326-A352 CarbonylContact C-O 3.59Å; G326-A352 WeakPolarHBondContact CA-O 3.46Å
327	I	96.1	Very high	91.1	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	125.2	170.3	-61.7	173.4	0	0	0	107.9	V297 F312 Y324 L329 F344 V347 A352 Q354	V297-I327 WeakPolarHBondContact O-CA 3.28Å; F312-I327 HydrophobicContact CD1-CD1 3.88Å; F312-I327 HydrophobicContact CE1-CD1 4.25Å; F312-I327 HydrophobicContact CE1-CG2 3.91Å; F312-I327 HydrophobicContact CG-CD1 4.19Å; F312-I327 HydrophobicContact CZ-CG2 3.96Å; Y324-I327 HydrophobicContact CD1-CD1 4.26Å; Y324-I327 HydrophobicContact CD1-CG1 4.22Å; Y324-I327 HydrophobicContact CD2-CD1 4.02Å; Y324-I327 HydrophobicContact CG-CD1 3.83Å; Y324-I327 HydrophobicContact CG-CG1 4.12Å; I327-L329 HydrophobicContact CG2-CD1 4.06Å; I327-L329 HydrophobicContact CG2-CG 4.12Å; I327-F344 HydrophobicContact CD1-CD1 3.9Å; I327-F344 HydrophobicContact CD1-CE1 4.11Å; I327-F344 HydrophobicContact CG2-CE1 4.28Å; I327-V347 HydrophobicContact CD1-CG2 3.81Å; I327-A352 PolarHBondContact N-O 3.23Å; I327-Q354 PolarHBondContact O-N 2.88Å
328	S	95.6	Very high	91.8	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	127.5	174.1	71.3	0	0	0	0	111.8	V297 Y298 L299 H300	V297-S328 PolarHBondContact O-N 3.01Å; V297-S328 VanDerWaalsContact O-N 3.1Å; Y298-S328 WeakPolarHBondContact CA-OG 3.23Å; Y298-S328 WeakPolarHBondContact CB-OG 3.45Å; Y298-S328 VanDerWaalsContact CD1-OG 3.27Å; Y298-S328 WeakPolarHBondContact CD1-OG 3.28Å; L299-S328 CarbonylContact C-O 3.55Å; L299-S328 VanDerWaalsContact C-O 3.28Å; L299-S328 VanDerWaalsContact CA-O 3.29Å; L299-S328 WeakPolarHBondContact CA-O 3.49Å; L299-S328 WeakPolarHBondContact CB-O 3.32Å; L299-S328 PolarHBondContact N-O 2.86Å; L299-S328 PolarHBondContact N-OG 2.03Å; H300-S328 PolarHBondContact CD2-OG 3.13Å; H300-S328 PolarHBondContact N-O 2.96Å; H300-S328 VanDerWaalsContact N-O 3.14Å
329	L	95.4	Very high	92.2	Very high	4 Å²	4	58.1 Å²	58.1	2%	0.021	30%	0.301	C	S	.	.			trans	-136.6	-0.2	-176.7	-79.7	169.9	0	0	0	112.7	L299 I304 F312 I327 N332 F344 Q354 L355	L299-L329 HydrophobicContact CB-CD2 3.9Å; L299-L329 HydrophobicContact CD1-CD2 4.14Å; I304-L329 HydrophobicContact CD1-CD2 4.08Å; F312-L329 HydrophobicContact CE2-CD1 4.02Å; F312-L329 HydrophobicContact CZ-CD1 3.99Å; F312-L329 HydrophobicContact CZ-CD2 4.41Å; F312-L329 HydrophobicContact CZ-CG 4.48Å; I327-L329 HydrophobicContact CG2-CD1 4.06Å; I327-L329 HydrophobicContact CG2-CG 4.12Å; L329-N332 WeakPolarHBondContact O-CB 3.48Å; L329-N332 PolarHBondContact O-ND2 3.42Å; L329-F344 HydrophobicContact CD1-CE1 4.18Å; L329-F344 HydrophobicContact CD1-CZ 3.85Å; L329-Q354 PolarHBondContact N-O 2.7Å; L329-L355 HydrophobicContact CB-CD2 3.51Å; L329-L355 HydrophobicContact CB-CG 4.5Å; L329-L355 HydrophobicContact CD1-CD2 3.91Å; L329-L355 HydrophobicContact CG-CD2 4.37Å
330	F	94.1	Very high	92.7	Very high	38 Å²	38	57.7 Å²	57.7	17%	0.167	29%	0.29	C	S	.	.			trans	-58.4	160.4	175.1	65.8	-93.2	0	0	0	112.3	H300 A301 N332 Q354 G356 Y358	H300-F330 CarbonylContact C-O 3.59Å; H300-F330 WeakPolarHBondContact CA-O 3.28Å; H300-F330 HydrophobicContact CB-CD1 3.66Å; H300-F330 HydrophobicContact CB-CD2 3.76Å; H300-F330 HydrophobicContact CB-CE1 3.49Å; H300-F330 VanDerWaalsContact CB-CE1 3.49Å; H300-F330 HydrophobicContact CB-CE2 3.59Å; H300-F330 HydrophobicContact CB-CG 3.79Å; H300-F330 HydrophobicContact CB-CZ 3.45Å; H300-F330 VanDerWaalsContact CB-CZ 3.45Å; H300-F330 VanDerWaalsContact CB-O 3.23Å; H300-F330 WeakPolarHBondContact CB-O 3.36Å; H300-F330 AromaticContact CD2-CE1 3.5Å; H300-F330 VanDerWaalsContact CD2-CE1 3.5Å; H300-F330 WeakPolarHBondContact CD2-CE1 3.22Å; H300-F330 AromaticContact CD2-CZ 3.27Å; H300-F330 WeakPolarHBondContact CD2-CZ 3.49Å; H300-F330 AromaticContact CG-CE1 3.62Å; H300-F330 AromaticContact CG-CE2 3.62Å; H300-F330 AromaticContact CG-CZ 3.22Å; H300-F330 AromaticContact ND1-CE2 3.82Å; H300-F330 AromaticContact ND1-CZ 3.69Å; H300-F330 AromaticContact NE2-CZ 3.81Å; A301-F330 PolarHBondContact N-O 3.34Å; F330-N332 VanDerWaalsContact C-N 3.26Å; F330-N332 PolarHBondContact O-N 3.17Å; F330-N332 PolarHBondContact O-ND2 3.32Å; F330-Q354 HydrophobicContact CD1-CB 4Å; F330-Q354 HydrophobicContact CE1-CB 4.38Å; F330-Q354 PolarHBondContact N-O 2.77Å; F330-G356 WeakPolarHBondContact CB-O 3.36Å; F330-Y358 HydrophobicContact CD1-CD1 4.44Å; F330-Y358 HydrophobicContact CD1-CG 4.49Å; F330-Y358 HydrophobicContact CE1-CD1 4.35Å
331	S	94.3	Very high	92.8	Very high	85 Å²	85	55.8 Å²	55.8	59%	0.594	29%	0.294	S	S	*	.	S	Bend	trans	55.4	38.6	-175.4	-56.2	0	0	0	0	113.7	A301 N302	A301-S331 VanDerWaalsContact CA-O 3.25Å; A301-S331 WeakPolarHBondContact CA-O 3.42Å; A301-S331 PolarHBondContact N-O 3.29Å; N302-S331 PolarHBondContact N-O 2.72Å
332	N	94.8	Very high	92.9	Very high	22 Å²	22	59.5 Å²	59.5	12%	0.118	31%	0.314	C	S	.	.	S	Bend	trans	-115.6	157.9	166.1	-81	-83.7	0	0	0	109.9	L299 N302 K303 I304 L329 F330 V334	L299-N332 PolarHBondContact O-ND2 2.8Å; N302-N332 VanDerWaalsContact CA-OD1 3.24Å; N302-N332 WeakPolarHBondContact CA-OD1 3.27Å; N302-N332 WeakPolarHBondContact CB-OD1 3.33Å; N302-N332 PolarHBondContact N-OD1 3.28Å; N302-N332 PolarHBondContact O-OD1 3.45Å; K303-N332 PolarHBondContact N-OD1 2.73Å; I304-N332 HydrophobicContact CB-CB 4.29Å; I304-N332 WeakPolarHBondContact CB-OD1 3.21Å; I304-N332 WeakPolarHBondContact CG1-OD1 3.41Å; I304-N332 PolarHBondContact N-OD1 3.3Å; L329-N332 WeakPolarHBondContact O-CB 3.48Å; L329-N332 PolarHBondContact O-ND2 3.42Å; F330-N332 VanDerWaalsContact C-N 3.26Å; F330-N332 PolarHBondContact O-N 3.17Å; F330-N332 PolarHBondContact O-ND2 3.32Å; N332-V334 HydrophobicContact CB-CG1 3.92Å; N332-V334 PolarHBondContact O-N 3.17Å
333	P	94.4	Very high	93	Very high	90 Å²	90	58.3 Å²	58.3	58%	0.584	30%	0.304	S	S	*	.	S	Bend	trans	-57.5	-31.6	173.3	-25.7	33.4	0	0	0	114.2	I304 P335	I304-P333 WeakPolarHBondContact O-CD 3.45Å; P333-P335 WeakPolarHBondContact O-CD 3.08Å
334	V	93.4	Very high	93	Very high	13 Å²	13	55 Å²	55	8%	0.079	29%	0.287	C	S	.	.	S	Bend	trans	-62	119.5	178.4	63.7	0	0	0	0	111.1	I304 V307 N332 V339	I304-V334 HydrophobicContact CG2-CG1 4.4Å; I304-V334 WeakPolarHBondContact O-CB 3.03Å; I304-V334 PolarHBondContact O-N 3.29Å; V307-V334 HydrophobicContact CG2-CG1 4.16Å; V307-V334 HydrophobicContact CG2-CG2 4.3Å; N332-V334 HydrophobicContact CB-CG1 3.92Å; N332-V334 PolarHBondContact O-N 3.17Å; V334-V339 HydrophobicContact CG2-CG2 3.76Å
335	P	90.1	Very high	92.9	Very high	25 Å²	25	59.3 Å²	59.3	16%	0.162	30%	0.303	C	S	.	.			trans	-78.7	151.7	175.7	32.5	-33.6	0	0	0	110.9	P333 W337 E338	P333-P335 WeakPolarHBondContact O-CD 3.08Å; P335-W337 HydrophobicContact CB-CD2 3.75Å; P335-W337 HydrophobicContact CB-CE3 4.07Å; P335-W337 HydrophobicContact CB-CG 4.42Å; P335-W337 HydrophobicContact CB-CH2 3.66Å; P335-W337 HydrophobicContact CB-CZ2 3.3Å; P335-W337 HydrophobicContact CB-CZ3 4.03Å; P335-W337 HydrophobicContact CG-CD2 4.31Å; P335-W337 HydrophobicContact CG-CZ2 3.86Å; P335-W337 PolarHBondContact O-N 3.45Å; P335-W337 VanDerWaalsContact O-N 3.14Å; P335-E338 WeakPolarHBondContact CD-OE2 3.5Å; P335-E338 HydrophobicContact CG-CB 3.97Å; P335-E338 HydrophobicContact CG-CG 3.62Å; P335-E338 WeakPolarHBondContact CG-OE1 3.41Å; P335-E338 PolarHBondContact O-N 3.43Å; P335-E338 VanDerWaalsContact O-N 3.15Å
336	Y	88.3	Confident	92.7	Very high	147 Å²	147	56.9 Å²	56.9	58%	0.576	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-26.8	-174.5	78.2	-94.9	0	0	0	113.6
337	W	88.3	Confident	92.5	Very high	180 Å²	180	57.7 Å²	57.7	68%	0.682	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-15.6	-179.1	57.1	77.5	0	0	0	113.8	P335	P335-W337 HydrophobicContact CB-CD2 3.75Å; P335-W337 HydrophobicContact CB-CE3 4.07Å; P335-W337 HydrophobicContact CB-CG 4.42Å; P335-W337 HydrophobicContact CB-CH2 3.66Å; P335-W337 HydrophobicContact CB-CZ2 3.3Å; P335-W337 HydrophobicContact CB-CZ3 4.03Å; P335-W337 HydrophobicContact CG-CD2 4.31Å; P335-W337 HydrophobicContact CG-CZ2 3.86Å; P335-W337 PolarHBondContact O-N 3.45Å; P335-W337 VanDerWaalsContact O-N 3.14Å
338	E	91.6	Very high	91.7	Very high	116 Å²	116	65.7 Å²	65.7	54%	0.542	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-19.7	173.3	-77.2	175.5	-154.1	0	0	112.2	P335 Q340	P335-E338 WeakPolarHBondContact CD-OE2 3.5Å; P335-E338 HydrophobicContact CG-CB 3.97Å; P335-E338 HydrophobicContact CG-CG 3.62Å; P335-E338 WeakPolarHBondContact CG-OE1 3.41Å; P335-E338 PolarHBondContact O-N 3.43Å; P335-E338 VanDerWaalsContact O-N 3.15Å; E338-Q340 PolarHBondContact O-N 3.29Å
339	V	92.8	Very high	91.3	Very high	12 Å²	12	69.5 Å²	69.5	7%	0.073	35%	0.345	C	S	.	.	S	Bend	trans	-81.2	114.3	178.3	-170.4	0	0	0	0	109.7	V307 V334 T343 F344	V307-V339 HydrophobicContact CB-CG1 4.31Å; V307-V339 HydrophobicContact CB-CG2 4.27Å; V307-V339 HydrophobicContact CG1-CG1 4.3Å; V307-V339 HydrophobicContact CG2-CG2 4.35Å; V334-V339 HydrophobicContact CG2-CG2 3.76Å; V339-T343 HydrophobicContact CG1-CG2 4.21Å; V339-F344 HydrophobicContact CG1-CD2 4.45Å; V339-F344 HydrophobicContact CG1-CE2 3.47Å; V339-F344 VanDerWaalsContact CG1-CE2 3.47Å; V339-F344 HydrophobicContact CG1-CZ 3.82Å
340	Q	92.4	Very high	90.8	Very high	111 Å²	111	79.9 Å²	79.9	52%	0.519	38%	0.384	S	S	.	.			trans	-66.7	138.9	-179.3	-61	-174.5	10.2	0	0	111.2	T309 E338 I342 T343	T309-Q340 HydrophobicContact CG2-CB 4.25Å; T309-Q340 HydrophobicContact CG2-CG 4.39Å; E338-Q340 PolarHBondContact O-N 3.29Å; Q340-I342 HydrophobicContact CB-CG2 3.99Å; Q340-I342 PolarHBondContact O-N 3.47Å; Q340-I342 VanDerWaalsContact O-N 3.1Å; Q340-T343 WeakPolarHBondContact O-CB 3.05Å; Q340-T343 PolarHBondContact O-N 2.77Å; Q340-T343 PolarHBondContact O-OG1 3.47Å; Q340-T343 VanDerWaalsContact O-OG1 3.07Å
341	P	89.6	Confident	90.5	Very high	120 Å²	120	82 Å²	82	78%	0.779	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-56.6	-31.4	178.4	-27.9	35.4	0	0	0	114	T343 F344	P341-T343 PolarHBondContact O-N 3.36Å; P341-F344 PolarHBondContact O-N 3.12Å
342	I	91.4	Very high	90.3	Very high	96 Å²	96	78.4 Å²	78.4	49%	0.492	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-64.8	-21.1	179.3	-163.6	164.2	0	0	0	113.4	T309 Q340 F344 R345	T309-I342 HydrophobicContact CG2-CG2 3.59Å; Q340-I342 HydrophobicContact CB-CG2 3.99Å; Q340-I342 PolarHBondContact O-N 3.47Å; Q340-I342 VanDerWaalsContact O-N 3.1Å; I342-F344 PolarHBondContact O-N 3.4Å; I342-R345 WeakPolarHBondContact O-CB 3.47Å; I342-R345 WeakPolarHBondContact O-CG 3.27Å; I342-R345 PolarHBondContact O-N 3.23Å; I342-R345 PolarHBondContact O-NH1 3.16Å
343	T	93.6	Very high	90.2	Very high	0 Å²	0	79 Å²	79	0%	0	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-55.7	-33.1	175.5	-63.1	0	0	0	0	112.2	V307 G308 T309 F312 C313 V339 Q340 P341	V307-T343 HydrophobicContact CG1-CG2 3.74Å; G308-T343 VanDerWaalsContact O-CG2 3.28Å; G308-T343 WeakPolarHBondContact O-CG2 3.46Å; G308-T343 PolarHBondContact O-OG1 3.35Å; T309-T343 WeakPolarHBondContact CA-OG1 2.81Å; F312-T343 HydrophobicContact CD2-CG2 3.87Å; F312-T343 HydrophobicContact CE2-CG2 4.48Å; C313-T343 PolarHBondContact SG-O 2.91Å; C313-T343 VanDerWaalsContact SG-O 3.34Å; V339-T343 HydrophobicContact CG1-CG2 4.21Å; Q340-T343 WeakPolarHBondContact O-CB 3.05Å; Q340-T343 PolarHBondContact O-N 2.77Å; Q340-T343 PolarHBondContact O-OG1 3.47Å; Q340-T343 VanDerWaalsContact O-OG1 3.07Å; P341-T343 PolarHBondContact O-N 3.36Å
344	F	93.6	Very high	90.1	Very high	22 Å²	22	76.4 Å²	76.4	10%	0.096	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-106.5	22.4	-174.8	-56.8	-66.2	0	0	0	114	F312 I327 L329 V339 P341 I342 C346 V347 I353 L355	F312-F344 HydrophobicContact CD2-CD1 4.37Å; F312-F344 AromaticContact CD2-CE1 3.87Å; F312-F344 HydrophobicContact CD2-CE1 3.87Å; F312-F344 AromaticContact CE2-CE1 3.93Å; F312-F344 HydrophobicContact CE2-CE1 3.93Å; I327-F344 HydrophobicContact CD1-CD1 3.9Å; I327-F344 HydrophobicContact CD1-CE1 4.11Å; I327-F344 HydrophobicContact CG2-CE1 4.28Å; L329-F344 HydrophobicContact CD1-CE1 4.18Å; L329-F344 HydrophobicContact CD1-CZ 3.85Å; V339-F344 HydrophobicContact CG1-CD2 4.45Å; V339-F344 HydrophobicContact CG1-CE2 3.47Å; V339-F344 VanDerWaalsContact CG1-CE2 3.47Å; V339-F344 HydrophobicContact CG1-CZ 3.82Å; P341-F344 PolarHBondContact O-N 3.12Å; I342-F344 PolarHBondContact O-N 3.4Å; F344-C346 PolarHBondContact O-N 3.49Å; F344-V347 HydrophobicContact CB-CB 4.48Å; F344-V347 HydrophobicContact CB-CG2 3.75Å; F344-V347 HydrophobicContact CD1-CG2 4.17Å; F344-V347 HydrophobicContact CG-CG2 4.41Å; F344-V347 WeakPolarHBondContact O-CB 3.44Å; F344-V347 WeakPolarHBondContact O-CG2 3.46Å; F344-V347 PolarHBondContact O-N 2.91Å; F344-V347 VanDerWaalsContact O-N 3.08Å; F344-I353 HydrophobicContact CB-CD1 3.57Å; F344-I353 HydrophobicContact CD1-CD1 4.16Å; F344-I353 HydrophobicContact CD2-CD1 3.98Å; F344-I353 HydrophobicContact CD2-CG2 4.49Å; F344-I353 HydrophobicContact CE1-CG2 4.39Å; F344-I353 HydrophobicContact CE2-CG2 4.24Å; F344-I353 HydrophobicContact CG-CD1 3.64Å; F344-I353 HydrophobicContact CG-CG1 4.45Å; F344-I353 HydrophobicContact CZ-CG2 4.2Å; F344-L355 HydrophobicContact CE2-CD1 3.9Å; F344-L355 HydrophobicContact CZ-CD1 4.23Å
345	R	91.7	Very high	89.9	Confident	89 Å²	89	78.2 Å²	78.2	34%	0.336	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-15.3	-177.9	65.6	-177.5	170.3	-79.1	7.1	116.1	T309 C313 P314 I342	T309-R345 PolarHBondContact O-NH1 3.24Å; C313-R345 HydrophobicContact CB-CG 3.72Å; C313-R345 PolarHBondContact O-NH2 2.69Å; P314-R345 PolarHBondContact O-NE 3.34Å; P314-R345 PolarHBondContact O-NH2 3.16Å; I342-R345 WeakPolarHBondContact O-CB 3.47Å; I342-R345 WeakPolarHBondContact O-CG 3.27Å; I342-R345 PolarHBondContact O-N 3.23Å; I342-R345 PolarHBondContact O-NH1 3.16Å
346	C	89.8	Confident	89.3	Confident	19 Å²	19	78.6 Å²	78.6	13%	0.128	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	23.7	-178.6	69.2	0	0	0	0	113	C313 M323 Y324 F344	C313-C346 WeakPolarHBondContact CA-SG 3.5Å; C313-C346 HydrophobicContact CB-CB 3.87Å; C313-C346 WeakPolarHBondContact CB-SG 3.49Å; C313-C346 VanDerWaalsContact SG-CA 3.6Å; C313-C346 WeakPolarHBondContact SG-CB 3.49Å; C313-C346 PolarHBondContact SG-N 3.12Å; C313-C346 CovalentContact SG-SG 2.03Å; C313-C346 PolarHBondContact SG-SG 3.32Å; M323-C346 WeakPolarHBondContact CA-O 3.33Å; Y324-C346 VanDerWaalsContact CE2-SG 3.56Å; Y324-C346 PolarHBondContact N-O 3.33Å; F344-C346 PolarHBondContact O-N 3.49Å
347	V	91.9	Very high	88.1	Confident	23 Å²	23	79.8 Å²	79.8	14%	0.139	40%	0.396	C	S	.	.	B	Isolated β-bridge	trans	-100.7	138.2	175.1	-174.6	0	0	0	0	109.3	Y324 I327 F344 D349 A352 I353	Y324-V347 HydrophobicContact CD2-CG2 4.21Å; I327-V347 HydrophobicContact CD1-CG2 3.81Å; F344-V347 HydrophobicContact CB-CB 4.48Å; F344-V347 HydrophobicContact CB-CG2 3.75Å; F344-V347 HydrophobicContact CD1-CG2 4.17Å; F344-V347 HydrophobicContact CG-CG2 4.41Å; F344-V347 WeakPolarHBondContact O-CB 3.44Å; F344-V347 WeakPolarHBondContact O-CG2 3.46Å; F344-V347 PolarHBondContact O-N 2.91Å; F344-V347 VanDerWaalsContact O-N 3.08Å; V347-D349 WeakPolarHBondContact CG1-O 3.49Å; V347-A352 HydrophobicContact CG1-CB 3.74Å; V347-I353 HydrophobicContact CB-CD1 4.31Å; V347-I353 HydrophobicContact CB-CG1 4.49Å; V347-I353 HydrophobicContact CG1-CD1 4.17Å; V347-I353 HydrophobicContact CG1-CG1 3.89Å; V347-I353 HydrophobicContact CG2-CD1 4.29Å; V347-I353 HydrophobicContact CG2-CG1 4.4Å
348	F	78.5	Confident	86.8	Confident	167 Å²	167	75.8 Å²	75.8	73%	0.732	38%	0.381	S	S	*	.	S	Bend	trans	-72.6	-41.7	-173.5	-179.1	-100.6	0	0	0	113.5	M323 Y324	M323-F348 HydrophobicContact CB-CB 4.05Å; M323-F348 HydrophobicContact SD-CB 4.17Å; M323-F348 HydrophobicContact SD-CD2 3.79Å; M323-F348 HydrophobicContact SD-CG 4.49Å; Y324-F348 PolarHBondContact O-N 3.16Å
349	D	88	Confident	84.9	Confident	81 Å²	81	80.9 Å²	80.9	43%	0.433	40%	0.396	S	S	.	.			trans	-135.9	145.2	-176.9	-175	2.1	0	0	0	109.9	V347 S351 A352	V347-D349 WeakPolarHBondContact CG1-O 3.49Å; D349-S351 PolarHBondContact O-N 2.8Å; D349-S351 PolarHBondContact OD1-N 3.22Å; D349-S351 VanDerWaalsContact OD1-N 3.13Å; D349-S351 WeakPolarHBondContact OD2-CB 3.49Å; D349-S351 PolarHBondContact OD2-OG 3.33Å; D349-A352 WeakPolarHBondContact O-CB 3.2Å; D349-A352 PolarHBondContact O-N 3.08Å; D349-A352 VanDerWaalsContact O-N 3.15Å
350	R	85.1	Confident	82.7	Confident	222 Å²	222	89 Å²	89	84%	0.838	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-61	-30.5	172	-171.2	177.6	-178.7	-175.3	1.2	111.7	A352 I353	R350-A352 PolarHBondContact O-N 3.13Å; R350-I353 PolarHBondContact O-N 3.29Å; R350-I353 VanDerWaalsContact O-N 3.17Å
351	S	87.6	Confident	80.1	Confident	83 Å²	83	97 Å²	97	58%	0.58	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-64.3	-21.4	177	78.7	0	0	0	0	113.8	D349 I353	D349-S351 PolarHBondContact O-N 2.8Å; D349-S351 PolarHBondContact OD1-N 3.22Å; D349-S351 VanDerWaalsContact OD1-N 3.13Å; D349-S351 WeakPolarHBondContact OD2-CB 3.49Å; D349-S351 PolarHBondContact OD2-OG 3.33Å; S351-I353 PolarHBondContact O-N 3.04Å
352	A	90.6	Very high	79.6	Confident	8 Å²	8	95.8 Å²	95.8	7%	0.066	45%	0.447	C	S	.	.	G	3₁₀ helix	trans	-68.6	-21.3	175.9	0	0	0	0	0	112.8	S325 G326 I327 V347 D349 R350	S325-A352 WeakPolarHBondContact O-CB 3.44Å; G326-A352 CarbonylContact C-O 3.59Å; G326-A352 WeakPolarHBondContact CA-O 3.46Å; I327-A352 PolarHBondContact N-O 3.23Å; V347-A352 HydrophobicContact CG1-CB 3.74Å; D349-A352 WeakPolarHBondContact O-CB 3.2Å; D349-A352 PolarHBondContact O-N 3.08Å; D349-A352 VanDerWaalsContact O-N 3.15Å; R350-A352 PolarHBondContact O-N 3.13Å
353	I	92.5	Very high	79	Confident	36 Å²	36	95.8 Å²	95.8	19%	0.185	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	115.4	-173.8	-51.9	168.4	0	0	0	109.5	F344 V347 R350 S351 L355	F344-I353 HydrophobicContact CB-CD1 3.57Å; F344-I353 HydrophobicContact CD1-CD1 4.16Å; F344-I353 HydrophobicContact CD2-CD1 3.98Å; F344-I353 HydrophobicContact CD2-CG2 4.49Å; F344-I353 HydrophobicContact CE1-CG2 4.39Å; F344-I353 HydrophobicContact CE2-CG2 4.24Å; F344-I353 HydrophobicContact CG-CD1 3.64Å; F344-I353 HydrophobicContact CG-CG1 4.45Å; F344-I353 HydrophobicContact CZ-CG2 4.2Å; V347-I353 HydrophobicContact CB-CD1 4.31Å; V347-I353 HydrophobicContact CB-CG1 4.49Å; V347-I353 HydrophobicContact CG1-CD1 4.17Å; V347-I353 HydrophobicContact CG1-CG1 3.89Å; V347-I353 HydrophobicContact CG2-CD1 4.29Å; V347-I353 HydrophobicContact CG2-CG1 4.4Å; R350-I353 PolarHBondContact O-N 3.29Å; R350-I353 VanDerWaalsContact O-N 3.17Å; S351-I353 PolarHBondContact O-N 3.04Å; I353-L355 HydrophobicContact CG2-CD1 3.49Å; I353-L355 VanDerWaalsContact CG2-CD1 3.49Å; I353-L355 HydrophobicContact CG2-CG 3.75Å
354	Q	92.1	Very high	78.2	Confident	35 Å²	35	101.1 Å²	101.1	16%	0.164	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	97.4	-179.8	-52.9	174.4	-4.3	0	0	109.4	I327 L329 F330 Y358	I327-Q354 PolarHBondContact O-N 2.88Å; L329-Q354 PolarHBondContact N-O 2.7Å; F330-Q354 HydrophobicContact CD1-CB 4Å; F330-Q354 HydrophobicContact CE1-CB 4.38Å; F330-Q354 PolarHBondContact N-O 2.77Å; Q354-Y358 HydrophobicContact CB-CD1 4.29Å; Q354-Y358 HydrophobicContact CB-CD2 3.85Å; Q354-Y358 HydrophobicContact CB-CE1 4.49Å; Q354-Y358 HydrophobicContact CB-CE2 4.08Å; Q354-Y358 HydrophobicContact CB-CG 3.97Å; Q354-Y358 HydrophobicContact CG-CD1 4.42Å; Q354-Y358 HydrophobicContact CG-CD2 4.02Å; Q354-Y358 HydrophobicContact CG-CE1 4.12Å; Q354-Y358 HydrophobicContact CG-CE2 3.69Å; Q354-Y358 HydrophobicContact CG-CG 4.37Å
355	L	88.4	Confident	77.3	Confident	50 Å²	50	105.8 Å²	105.8	26%	0.262	49%	0.491	S	S	.	.			trans	-120.8	158.6	-179.3	-73.4	163	0	0	0	111.5	L329 F344 I353	L329-L355 HydrophobicContact CB-CD2 3.51Å; L329-L355 HydrophobicContact CB-CG 4.5Å; L329-L355 HydrophobicContact CD1-CD2 3.91Å; L329-L355 HydrophobicContact CG-CD2 4.37Å; F344-L355 HydrophobicContact CE2-CD1 3.9Å; F344-L355 HydrophobicContact CZ-CD1 4.23Å; I353-L355 HydrophobicContact CG2-CD1 3.49Å; I353-L355 VanDerWaalsContact CG2-CD1 3.49Å; I353-L355 HydrophobicContact CG2-CG 3.75Å
356	G	77.6	Confident	76.4	Confident	34 Å²	34	106.8 Å²	106.8	35%	0.351	50%	0.501	S	S	.	.	S	Bend	trans	67.3	-143.3	172.5	0	0	0	0	0	114.1	F330 Y358	F330-G356 WeakPolarHBondContact CB-O 3.36Å; G356-Y358 PolarHBondContact O-N 3.26Å
357	N	63.9	Low	75.5	Confident	171 Å²	171	112.7 Å²	112.7	91%	0.914	53%	0.526	S	S	*	.	S	Bend	trans	-77.7	62.9	175.8	-85.7	-19.8	0	0	0	111.4	R359	N357-R359 PolarHBondContact O-N 3.19Å
358	Y	60.5	Low	74.3	Confident	97 Å²	97	119.1 Å²	119.1	38%	0.38	55%	0.553	S	S	.	*			trans	-67.6	100.6	174.7	-170.3	-96.3	0	0	0	109.7	F330 Q354 G356 K360	F330-Y358 HydrophobicContact CD1-CD1 4.44Å; F330-Y358 HydrophobicContact CD1-CG 4.49Å; F330-Y358 HydrophobicContact CE1-CD1 4.35Å; Q354-Y358 HydrophobicContact CB-CD1 4.29Å; Q354-Y358 HydrophobicContact CB-CD2 3.85Å; Q354-Y358 HydrophobicContact CB-CE1 4.49Å; Q354-Y358 HydrophobicContact CB-CE2 4.08Å; Q354-Y358 HydrophobicContact CB-CG 3.97Å; Q354-Y358 HydrophobicContact CG-CD1 4.42Å; Q354-Y358 HydrophobicContact CG-CD2 4.02Å; Q354-Y358 HydrophobicContact CG-CE1 4.12Å; Q354-Y358 HydrophobicContact CG-CE2 3.69Å; Q354-Y358 HydrophobicContact CG-CG 4.37Å; G356-Y358 PolarHBondContact O-N 3.26Å; Y358-K360 HydrophobicContact CE1-CG 4.01Å
359	R	51	Low	74	Confident	223 Å²	223	115.4 Å²	115.4	84%	0.842	54%	0.54	S	S	*	.			trans	-87.5	115.5	166.2	-72.7	-174	174.4	-176	-1.4	107.7	N357 K361	N357-R359 PolarHBondContact O-N 3.19Å; R359-K361 PolarHBondContact O-N 3.48Å
360	K	46.5	Very low	72.8	Confident	183 Å²	183	118.3 Å²	118.3	80%	0.796	55%	0.548	S	S	*	.			trans	-53.3	115.5	162.8	-86.7	-178.5	173.3	177	0	106.8	Y358	Y358-K360 HydrophobicContact CE1-CG 4.01Å
361	K	38.5	Very low	71.7	Confident	277 Å²	277	108.8 Å²	108.8	100%	1.204	52%	0.522	S	S	*	.			trans	-73.3	0	168.7	-86	-170.7	175.9	-177.3	0	109.8	R359	R359-K361 PolarHBondContact O-N 3.48Å

Retrieved 361 of 361 residues in 413.9 ms (Link to these results)

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