A0A093HNR9_STRCA Loading...

Keratocan

Plays an important role in generating and maintaining a transparent matrix within the corneal stroma.

AlphaFold DB , UniProt , Accession A0A093HNR9, Species STRCA (Struthio camelus australis), Gene n/a, Length 352 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	32.5	Very low	30.2	Very low	231 Å²	231	160.4 Å²	160.4	100%	1.138	83%	0.828	S	S	*	*				0	132.4	0	-81.9	144.5	67.7	0	0	108.9
2	T	29.9	Very low	30.2	Very low	134 Å²	134	156.9 Å²	156.9	82%	0.822	81%	0.811	S	S	*	*			trans	42	91.6	162.5	54.9	0	0	0	0	119.4
3	L	22.4	Very low	30.1	Very low	170 Å²	170	156.9 Å²	156.9	89%	0.89	80%	0.802	S	S	*	*			trans	-81.3	151.6	135.8	-82.8	83.6	0	0	0	108.7
4	K	28.4	Very low	30.1	Very low	188 Å²	188	154.1 Å²	154.1	82%	0.817	79%	0.789	S	S	*	*			trans	-120	128.2	165	-90.8	-173.1	173.6	-178.1	0	109.9
5	V	28	Very low	30	Very low	133 Å²	133	154.3 Å²	154.3	81%	0.806	78%	0.782	S	S	*	*			trans	-107.9	143.9	173.4	177.1	0	0	0	0	107.6
6	Y	27.8	Very low	29.8	Very low	211 Å²	211	153 Å²	153	83%	0.827	78%	0.778	S	S	*	*			trans	-105.8	143.4	169.6	-85.3	-81.1	0	0	0	110.8
7	P	41	Very low	29.8	Very low	116 Å²	116	151.3 Å²	151.3	75%	0.753	78%	0.783	S	S	*	*			trans	-98.2	158.2	-167.8	37.9	-35.8	0	0	0	114.7
8	N	30.5	Very low	29.8	Very low	151 Å²	151	149 Å²	149	81%	0.807	78%	0.776	S	S	*	*			trans	-76.4	153.7	161.1	-82.9	-35.1	0	0	0	111.3
9	L	32.3	Very low	29.8	Very low	170 Å²	170	153.9 Å²	153.9	89%	0.89	78%	0.784	S	S	*	*			trans	-151.8	155.7	149.5	-141.7	83	0	0	0	113.5
10	L	28.8	Very low	29.8	Very low	132 Å²	132	151.9 Å²	151.9	69%	0.691	78%	0.779	S	S	*	*			trans	-129.6	167.1	-171.1	-100.4	61.9	0	0	0	106.7
11	L	30.2	Very low	29.9	Very low	128 Å²	128	155.6 Å²	155.6	67%	0.67	78%	0.784	S	S	*	*			cis	-168.2	154.9	17.2	-126.8	171.7	0	0	0	108
12	L	30.1	Very low	29.8	Very low	119 Å²	119	151.1 Å²	151.1	62%	0.623	77%	0.769	S	S	*	*			trans	74	158	151.8	-55.6	174.9	0	0	0	119.6
13	F	29.8	Very low	30	Very low	157 Å²	157	151.2 Å²	151.2	69%	0.689	77%	0.769	S	S	*	*			cis	-164.1	153.1	-5.5	-121	-33.8	0	0	0	113.1
14	L	29.3	Very low	30.3	Very low	118 Å²	118	153.6 Å²	153.6	62%	0.618	77%	0.766	S	S	*	*			trans	69.3	151.8	147.3	-58.7	168.5	0	0	0	120.2
15	F	29.3	Very low	30.6	Very low	157 Å²	157	151.9 Å²	151.9	69%	0.689	76%	0.762	S	S	*	*			cis	-154.9	149.4	7.5	-121	-45.2	0	0	0	113.5
16	N	26.8	Very low	30.7	Very low	133 Å²	133	150.6 Å²	150.6	71%	0.711	75%	0.754	S	S	*	*			trans	39.8	126	147.5	-70	-14.9	0	0	0	124.2
17	S	30.1	Very low	30.8	Very low	124 Å²	124	149.5 Å²	149.5	87%	0.867	75%	0.749	S	S	*	*				-159.7	155.1	98.9	57.2	0	0	0	0	112.6
18	V	29.8	Very low	30.3	Very low	110 Å²	110	150.1 Å²	150.1	67%	0.667	75%	0.746	S	S	*	*			trans	-101	144.1	-165.1	171.2	0	0	0	0	111.7	T20	V18-T20 HydrophobicContact CG1-CG2 3.89Å
19	W	29.3	Very low	30.7	Very low	242 Å²	242	152.3 Å²	152.3	92%	0.917	75%	0.752	S	S	*	*			trans	-136.4	122	146.8	-118.4	66.9	0	0	0	110.5
20	T	30	Very low	31	Very low	113 Å²	113	151.6 Å²	151.6	69%	0.693	75%	0.748	S	S	*	*			trans	-90	135.9	-178	42.3	0	0	0	0	111.4	V18	V18-T20 HydrophobicContact CG1-CG2 3.89Å
21	R	30.7	Very low	31.3	Very low	231 Å²	231	152 Å²	152	87%	0.872	75%	0.751	S	S	*	*			trans	-127.9	120.7	153.9	-91.9	-169.8	170.7	-166.9	-2.3	109.7	V23	R21-V23 PolarHBondContact O-N 3.3Å
22	T	31.2	Very low	31.8	Very low	136 Å²	136	151.7 Å²	151.7	83%	0.834	76%	0.757	S	S	*	*			trans	-69	112.8	-174.3	-38.4	0	0	0	0	110.7
23	V	33.7	Very low	32.3	Very low	136 Å²	136	153.6 Å²	153.6	82%	0.824	76%	0.763	S	S	*	*			trans	-94.7	110	160.3	-179.4	0	0	0	0	107	R21 Q25	R21-V23 PolarHBondContact O-N 3.3Å; V23-Q25 PolarHBondContact O-N 3.01Å
24	R	30.1	Very low	32.6	Very low	220 Å²	220	153.6 Å²	153.6	83%	0.83	76%	0.764	S	S	*	*			trans	-71.6	112.9	177.1	-163.9	177.7	-168	176.8	1.9	107.4	V26	R24-V26 PolarHBondContact O-N 3.29Å
25	Q	32.9	Very low	33.1	Very low	153 Å²	153	160 Å²	160	72%	0.715	78%	0.781	S	S	*	*			trans	-62.8	107.2	167.7	-78.2	176.4	-59.1	0	0	108	V23 Y27	V23-Q25 PolarHBondContact O-N 3.01Å; Q25-Y27 HydrophobicContact CB-CD2 4.29Å; Q25-Y27 HydrophobicContact CB-CE2 4.2Å; Q25-Y27 PolarHBondContact O-N 3.25Å
26	V	30.2	Very low	33.6	Very low	106 Å²	106	156.1 Å²	156.1	64%	0.642	77%	0.773	S	S	*	*			trans	-79.7	105.1	158.4	178.8	0	0	0	0	105.1	R24 D28	R24-V26 PolarHBondContact O-N 3.29Å; V26-D28 VanDerWaalsContact C-N 3.35Å; V26-D28 PolarHBondContact O-N 3.41Å
27	Y	30.3	Very low	34.1	Very low	187 Å²	187	157.5 Å²	157.5	73%	0.733	77%	0.774	S	S	*	*			trans	-73.7	98.1	157.6	-78.7	-94.1	0	0	0	106	Q25 E29	Q25-Y27 HydrophobicContact CB-CD2 4.29Å; Q25-Y27 HydrophobicContact CB-CE2 4.2Å; Q25-Y27 PolarHBondContact O-N 3.25Å; Y27-E29 PolarHBondContact O-N 2.96Å
28	D	30.3	Very low	34.9	Very low	129 Å²	129	161.3 Å²	161.3	69%	0.69	77%	0.771	S	S	*	*			trans	-73.9	110.4	160.1	-84.3	-27.7	0	0	0	107	V26 L30	V26-D28 VanDerWaalsContact C-N 3.35Å; V26-D28 PolarHBondContact O-N 3.41Å; D28-L30 VanDerWaalsContact C-N 3.29Å; D28-L30 PolarHBondContact O-N 3.34Å
29	E	39.6	Very low	36.1	Very low	197 Å²	197	161.8 Å²	161.8	92%	0.921	78%	0.775	S	S	*	*			trans	-65.6	91.1	165.2	-70	178.1	132.3	0	0	108.3	Y27	Y27-E29 PolarHBondContact O-N 2.96Å
30	L	37.8	Very low	38	Very low	155 Å²	155	155.4 Å²	155.4	81%	0.812	75%	0.753	S	S	*	*			trans	-92	121.3	166.2	-81.9	161.1	0	0	0	108.8	D28	D28-L30 VanDerWaalsContact C-N 3.29Å; D28-L30 PolarHBondContact O-N 3.34Å
31	D	36.6	Very low	40.6	Very low	140 Å²	140	156.2 Å²	156.2	75%	0.749	75%	0.749	S	S	*	*			trans	-42.2	133.7	-174.5	-87.6	-53.3	0	0	0	114.8	E33	D31-E33 PolarHBondContact O-N 3.23Å
32	P	40.4	Very low	43.5	Very low	123 Å²	123	147 Å²	147	80%	0.799	72%	0.72	S	S	*	*	S	Bend	trans	-67.5	-9.1	168.5	-20.3	33.5	0	0	0	114.7
33	E	40.1	Very low	46.6	Very low	159 Å²	159	141.4 Å²	141.4	74%	0.743	69%	0.686	S	S	*	*			trans	-109.6	53.7	-166.3	-62.6	-160.4	156.4	0	0	114.9	D31	D31-E33 PolarHBondContact O-N 3.23Å
34	H	36.9	Very low	49.5	Very low	156 Å²	156	143.7 Å²	143.7	72%	0.722	69%	0.688	S	S	*	*			trans	-134.2	32.1	170.8	-129.5	72.9	0	0	0	116.7
35	W	39.7	Very low	52.6	Low	254 Å²	254	137.5 Å²	137.5	96%	0.962	67%	0.668	S	S	*	*	S	Bend	trans	-107.2	15.2	169	-69.5	88.7	0	0	0	113.3
36	S	38.6	Very low	55.7	Low	75 Å²	75	130.9 Å²	130.9	52%	0.524	64%	0.638	S	S	.	*			trans	-104.7	-2.6	-161.1	45.7	0	0	0	0	116.6
37	H	38.8	Very low	58.8	Low	161 Å²	161	131.4 Å²	131.4	75%	0.745	63%	0.632	S	S	*	*	S	Bend	trans	-119.5	12.6	-172.2	-77.8	-52.8	0	0	0	117.5
38	Y	46.1	Very low	62	Low	205 Å²	205	123.4 Å²	123.4	80%	0.804	60%	0.603	S	S	*	*	S	Bend	trans	-100.6	99.4	148.7	-72.9	-75.8	0	0	0	108.1	F40	Y38-F40 VanDerWaalsContact C-N 3.28Å; Y38-F40 PolarHBondContact O-N 2.72Å
39	T	55.8	Low	65	Low	120 Å²	120	117.9 Å²	117.9	74%	0.736	58%	0.575	S	S	*	*			trans	-58.9	98.5	161.7	42.6	0	0	0	0	107.3	E41	T39-E41 PolarHBondContact O-N 3.29Å
40	F	67.7	Low	67.5	Low	107 Å²	107	114 Å²	114	47%	0.469	57%	0.567	S	S	.	*			trans	-73.5	77.6	-178	-118.5	-96.2	0	0	0	108.7	Y38 C42 P53	Y38-F40 VanDerWaalsContact C-N 3.28Å; Y38-F40 PolarHBondContact O-N 2.72Å; F40-C42 PolarHBondContact O-N 2.93Å; F40-P53 HydrophobicContact CE1-CB 3.56Å; F40-P53 HydrophobicContact CZ-CB 3.49Å; F40-P53 VanDerWaalsContact CZ-CB 3.49Å
41	E	84.4	Confident	70.2	Confident	130 Å²	130	112 Å²	112	61%	0.607	57%	0.566	S	S	*	*			trans	-54.7	113.5	179.2	-71.2	-178.6	174.1	0	0	108.8	T39 P70 R72	T39-E41 PolarHBondContact O-N 3.29Å; E41-P70 HydrophobicContact CB-CG 4.48Å; E41-P70 WeakPolarHBondContact O-CG 3.28Å; E41-R72 PolarHBondContact O-NH1 3.45Å; E41-R72 PolarHBondContact O-NH2 2.81Å; E41-R72 VanDerWaalsContact O-NH2 3.11Å
42	C	93.3	Very high	72.9	Confident	37 Å²	37	109.5 Å²	109.5	25%	0.25	55%	0.548	C	S	.	.			trans	-134.8	124.5	176.7	-162.8	0	0	0	0	106.5	F40 Q44 C48	F40-C42 PolarHBondContact O-N 2.93Å; C42-Q44 PolarHBondContact O-N 3.43Å; C42-C48 HydrophobicContact CB-CB 3.93Å; C42-C48 WeakPolarHBondContact CB-SG 3.41Å; C42-C48 WeakPolarHBondContact SG-CB 3.33Å; C42-C48 PolarHBondContact SG-N 3.37Å; C42-C48 VanDerWaalsContact SG-N 3.37Å; C42-C48 CovalentContact SG-SG 2.04Å; C42-C48 PolarHBondContact SG-SG 2.88Å
43	P	95.1	Very high	75.4	Confident	19 Å²	19	105.8 Å²	105.8	12%	0.123	52%	0.524	C	S	.	.			trans	-52.6	134.3	171	-25.8	34.7	0	0	0	110.3	E45 C46 L56 P67 A68	P43-E45 VanDerWaalsContact C-OE2 3.26Å; P43-E45 WeakPolarHBondContact CA-OE2 3.21Å; P43-E45 HydrophobicContact CB-CG 4.12Å; P43-E45 WeakPolarHBondContact CB-OE2 3.49Å; P43-E45 PolarHBondContact O-N 3.48Å; P43-C46 HydrophobicContact CB-CB 4.17Å; P43-C46 PolarHBondContact O-N 3.4Å; P43-L56 HydrophobicContact CG-CD1 4.48Å; P43-L56 HydrophobicContact CG-CD2 4.31Å; P43-P67 HydrophobicContact CB-CB 3.93Å; P43-P67 HydrophobicContact CB-CG 4.47Å; P43-P67 HydrophobicContact CG-CB 4.11Å; P43-P67 HydrophobicContact CG-CG 4.49Å; P43-A68 VanDerWaalsContact CG-O 3.29Å; P43-A68 WeakPolarHBondContact CG-O 3.48Å
44	Q	94.3	Very high	78.1	Confident	185 Å²	185	100.4 Å²	100.4	86%	0.864	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-30.1	-174.5	-65.7	-63	-64.1	0	0	112.2	C42 C46	C42-Q44 PolarHBondContact O-N 3.43Å; Q44-C46 PolarHBondContact O-N 3.21Å
45	E	95.2	Very high	81	Confident	89 Å²	89	93 Å²	93	42%	0.416	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-17	173.8	58.8	-91.4	-115.7	0	0	113.1	P43 K61 L63 P67	P43-E45 VanDerWaalsContact C-OE2 3.26Å; P43-E45 WeakPolarHBondContact CA-OE2 3.21Å; P43-E45 HydrophobicContact CB-CG 4.12Å; P43-E45 WeakPolarHBondContact CB-OE2 3.49Å; P43-E45 PolarHBondContact O-N 3.48Å; E45-K61 WeakPolarHBondContact O-CD 3.03Å; E45-K61 VanDerWaalsContact O-CE 3.28Å; E45-K61 WeakPolarHBondContact O-CE 3.04Å; E45-K61 PolarHBondContact O-NZ 3Å; E45-L63 HydrophobicContact CB-CD2 4.04Å; E45-L63 HydrophobicContact CG-CD2 4.17Å; E45-P67 HydrophobicContact CG-CB 4.1Å; E45-P67 HydrophobicContact CG-CG 4.43Å; E45-P67 WeakPolarHBondContact OE1-CB 3.44Å
46	C	97.6	Very high	83.8	Confident	14 Å²	14	80.9 Å²	80.9	10%	0.095	42%	0.42	C	S	.	.	S	Bend	trans	-116.2	179.4	-173.1	-58.7	0	0	0	0	113.2	P43 Q44 L56 Y57 C58	P43-C46 HydrophobicContact CB-CB 4.17Å; P43-C46 PolarHBondContact O-N 3.4Å; Q44-C46 PolarHBondContact O-N 3.21Å; C46-L56 HydrophobicContact CB-CD1 3.55Å; C46-L56 HydrophobicContact CB-CG 4.3Å; C46-Y57 CarbonylContact C-O 3.31Å; C46-Y57 WeakPolarHBondContact CA-O 3.04Å; C46-Y57 WeakPolarHBondContact CB-O 3.06Å; C46-C58 HydrophobicContact CB-CB 4.13Å; C46-C58 WeakPolarHBondContact CB-SG 3.14Å; C46-C58 VanDerWaalsContact SG-CA 3.6Å; C46-C58 WeakPolarHBondContact SG-CB 3.26Å; C46-C58 CovalentContact SG-SG 2.03Å; C46-C58 PolarHBondContact SG-SG 2.84Å
47	F	96.9	Very high	86.7	Confident	117 Å²	117	80.6 Å²	80.6	51%	0.513	41%	0.408	S	S	.	.	B	Isolated β-bridge	trans	-128.1	134.7	178.2	174.2	-110.4	0	0	0	111.5	P49 Y57	F47-P49 HydrophobicContact CE1-CB 3.72Å; F47-P49 HydrophobicContact CE1-CG 4.16Å; F47-P49 HydrophobicContact CZ-CB 3.95Å; F47-Y57 HydrophobicContact CD1-CD2 4.26Å; F47-Y57 PolarHBondContact N-O 2.04Å; F47-Y57 PolarHBondContact O-N 3.34Å
48	C	95.9	Very high	89.5	Confident	19 Å²	19	73 Å²	73	13%	0.128	37%	0.373	C	S	.	.			trans	-122.2	100.7	178.2	-57.8	0	0	0	0	109	C42 P50 L56 R72	C42-C48 HydrophobicContact CB-CB 3.93Å; C42-C48 WeakPolarHBondContact CB-SG 3.41Å; C42-C48 WeakPolarHBondContact SG-CB 3.33Å; C42-C48 PolarHBondContact SG-N 3.37Å; C42-C48 VanDerWaalsContact SG-N 3.37Å; C42-C48 CovalentContact SG-SG 2.04Å; C42-C48 PolarHBondContact SG-SG 2.88Å; C48-P50 WeakPolarHBondContact O-CD 3.33Å; C48-L56 WeakPolarHBondContact SG-CD1 3.35Å; C48-R72 PolarHBondContact SG-NH2 2.83Å
49	P	93.9	Very high	92	Very high	14 Å²	14	64.9 Å²	64.9	9%	0.091	34%	0.343	C	S	.	.			trans	-68.2	128.2	-178.5	24.6	-32.2	0	0	0	111.5	F47 S51 F52 Y57	F47-P49 HydrophobicContact CE1-CB 3.72Å; F47-P49 HydrophobicContact CE1-CG 4.16Å; F47-P49 HydrophobicContact CZ-CB 3.95Å; P49-S51 PolarHBondContact O-N 2.97Å; P49-F52 HydrophobicContact CG-CB 4.06Å; P49-F52 CarbonylContact O-C 3.22Å; P49-F52 PolarHBondContact O-N 2.75Å; P49-Y57 HydrophobicContact CG-CD2 4.14Å; P49-Y57 HydrophobicContact CG-CE2 3.74Å
50	P	91.4	Very high	94	Very high	115 Å²	115	64 Å²	64	75%	0.747	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-30.8	177.5	-26.3	35.3	0	0	0	113.9	C48 F52	C48-P50 WeakPolarHBondContact O-CD 3.33Å; P50-F52 VanDerWaalsContact C-N 3.3Å; P50-F52 PolarHBondContact O-N 3.11Å
51	S	94.5	Very high	95.5	Very high	113 Å²	113	63.7 Å²	63.7	79%	0.79	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-16.5	176.4	54.1	0	0	0	0	114.2	P49	P49-S51 PolarHBondContact O-N 2.97Å
52	F	94.6	Very high	96.1	Very high	88 Å²	88	59.4 Å²	59.4	39%	0.386	32%	0.323	S	S	.	.	S	Bend	trans	-141.1	67.9	179.3	-163.3	-129.3	0	0	0	110.5	P49 P50 N54 A55 Y75	P49-F52 HydrophobicContact CG-CB 4.06Å; P49-F52 CarbonylContact O-C 3.22Å; P49-F52 PolarHBondContact O-N 2.75Å; P50-F52 VanDerWaalsContact C-N 3.3Å; P50-F52 PolarHBondContact O-N 3.11Å; F52-N54 PolarHBondContact O-N 2.78Å; F52-A55 HydrophobicContact CD1-CB 3.35Å; F52-A55 HydrophobicContact CE1-CB 3.67Å; F52-A55 HydrophobicContact CG-CB 4.34Å; F52-A55 PolarHBondContact O-N 3.44Å; F52-Y75 AromaticContact CE1-CD2 3.83Å; F52-Y75 HydrophobicContact CE1-CD2 3.83Å; F52-Y75 HydrophobicContact CE1-CE2 4.24Å; F52-Y75 HydrophobicContact CE1-CG 4.33Å; F52-Y75 HydrophobicContact CE2-CE2 4.47Å; F52-Y75 AromaticContact CZ-CD2 3.67Å; F52-Y75 HydrophobicContact CZ-CD2 3.67Å; F52-Y75 AromaticContact CZ-CE2 3.6Å; F52-Y75 HydrophobicContact CZ-CE2 3.6Å; F52-Y75 HydrophobicContact CZ-CG 4.46Å
53	P	93.3	Very high	96.4	Very high	44 Å²	44	58.8 Å²	58.8	29%	0.286	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-15.5	-162.7	25.5	-36.2	0	0	0	115.2	F40 A55 R72	F40-P53 HydrophobicContact CE1-CB 3.56Å; F40-P53 HydrophobicContact CZ-CB 3.49Å; F40-P53 VanDerWaalsContact CZ-CB 3.49Å; P53-A55 VanDerWaalsContact C-N 3.34Å; P53-R72 WeakPolarHBondContact O-CD 3.43Å; P53-R72 PolarHBondContact O-NE 3.24Å
54	N	96.3	Very high	96.5	Very high	47 Å²	47	64.9 Å²	64.9	25%	0.251	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	5.8	179.4	-60.4	-11.7	0	0	0	112.8	F52 R72 I73 W74 Y75	F52-N54 PolarHBondContact O-N 2.78Å; N54-R72 PolarHBondContact OD1-O 3.03Å; N54-I73 WeakPolarHBondContact O-CA 3.27Å; N54-W74 HydrophobicContact CB-CB 4.22Å; N54-W74 HydrophobicContact CB-CD2 4.45Å; N54-W74 HydrophobicContact CB-CG 4.06Å; N54-W74 PolarHBondContact O-N 2.8Å; N54-Y75 PolarHBondContact O-N 3.04Å; N54-Y75 VanDerWaalsContact O-N 3.14Å
55	A	97.9	Very high	96.6	Very high	0 Å²	0	63 Å²	63	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	145.6	173.1	0	0	0	0	0	112.3	F52 P53 Y57 Y75 Y77	F52-A55 HydrophobicContact CD1-CB 3.35Å; F52-A55 HydrophobicContact CE1-CB 3.67Å; F52-A55 HydrophobicContact CG-CB 4.34Å; F52-A55 PolarHBondContact O-N 3.44Å; P53-A55 VanDerWaalsContact C-N 3.34Å; A55-Y57 HydrophobicContact CB-CD2 4.29Å; A55-Y57 HydrophobicContact CB-CE2 3.56Å; A55-Y75 WeakPolarHBondContact CA-O 3.37Å; A55-Y77 HydrophobicContact CB-CE2 4.25Å
56	L	98.1	Very high	96.8	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	116.8	175.4	179.9	62.3	0	0	0	109.5	P43 C46 C48 C58 I69 I73 Y75 L76 Y77	P43-L56 HydrophobicContact CG-CD1 4.48Å; P43-L56 HydrophobicContact CG-CD2 4.31Å; C46-L56 HydrophobicContact CB-CD1 3.55Å; C46-L56 HydrophobicContact CB-CG 4.3Å; C48-L56 WeakPolarHBondContact SG-CD1 3.35Å; L56-C58 VanDerWaalsContact CG-SG 3.56Å; L56-I69 HydrophobicContact CD2-CD1 3.76Å; L56-I73 HydrophobicContact CB-CD1 3.87Å; L56-I73 HydrophobicContact CB-CG1 4.02Å; L56-I73 HydrophobicContact CB-CG2 3.86Å; L56-I73 HydrophobicContact CD2-CG1 4.48Å; L56-Y75 PolarHBondContact N-O 3.35Å; L56-L76 HydrophobicContact CB-CD1 4.18Å; L56-L76 HydrophobicContact CD2-CD1 3.91Å; L56-L76 HydrophobicContact CG-CD1 4.15Å; L56-Y77 PolarHBondContact O-N 3.27Å
57	Y	98.6	Very high	96.8	Very high	69 Å²	69	59.1 Å²	59.1	27%	0.271	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	102.6	-178	-65.9	-93	0	0	0	110.5	C46 F47 P49 A55 Y77	C46-Y57 CarbonylContact C-O 3.31Å; C46-Y57 WeakPolarHBondContact CA-O 3.04Å; C46-Y57 WeakPolarHBondContact CB-O 3.06Å; F47-Y57 HydrophobicContact CD1-CD2 4.26Å; F47-Y57 PolarHBondContact N-O 2.04Å; F47-Y57 PolarHBondContact O-N 3.34Å; P49-Y57 HydrophobicContact CG-CD2 4.14Å; P49-Y57 HydrophobicContact CG-CE2 3.74Å; A55-Y57 HydrophobicContact CB-CD2 4.29Å; A55-Y57 HydrophobicContact CB-CE2 3.56Å; Y57-Y77 AromaticContact CD1-CD2 3.61Å; Y57-Y77 HydrophobicContact CD1-CD2 3.61Å; Y57-Y77 HydrophobicContact CD1-CE2 4.21Å; Y57-Y77 AromaticContact CD1-CG 3.94Å; Y57-Y77 HydrophobicContact CD1-CG 3.94Å; Y57-Y77 HydrophobicContact CD2-CD2 4.42Å; Y57-Y77 HydrophobicContact CE1-CD1 4.48Å; Y57-Y77 AromaticContact CE1-CD2 3.45Å; Y57-Y77 HydrophobicContact CE1-CD2 3.45Å; Y57-Y77 VanDerWaalsContact CE1-CD2 3.45Å; Y57-Y77 AromaticContact CE1-CE2 3.56Å; Y57-Y77 HydrophobicContact CE1-CE2 3.56Å; Y57-Y77 AromaticContact CE1-CG 3.95Å; Y57-Y77 HydrophobicContact CE1-CG 3.95Å; Y57-Y77 HydrophobicContact CE2-CD2 4.28Å; Y57-Y77 HydrophobicContact CE2-CE2 4.22Å; Y57-Y77 HydrophobicContact CG-CD2 4.11Å; Y57-Y77 AromaticContact CZ-CD2 3.81Å; Y57-Y77 AromaticContact CZ-CE2 3.56Å
58	C	98.5	Very high	96.7	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	32%	0.32	C	S	.	.			trans	-119	11.9	-179.8	-61.9	0	0	0	0	111.6	C46 L56 L63 Y77 L78 N81	C46-C58 HydrophobicContact CB-CB 4.13Å; C46-C58 WeakPolarHBondContact CB-SG 3.14Å; C46-C58 VanDerWaalsContact SG-CA 3.6Å; C46-C58 WeakPolarHBondContact SG-CB 3.26Å; C46-C58 CovalentContact SG-SG 2.03Å; C46-C58 PolarHBondContact SG-SG 2.84Å; L56-C58 VanDerWaalsContact CG-SG 3.56Å; C58-L63 HydrophobicContact CB-CD1 3.78Å; C58-L63 WeakPolarHBondContact O-CD1 3.21Å; C58-Y77 CarbonylContact C-O 3.22Å; C58-Y77 VanDerWaalsContact C-O 3.31Å; C58-Y77 VanDerWaalsContact CA-O 3.27Å; C58-Y77 WeakPolarHBondContact CA-O 3.29Å; C58-Y77 VanDerWaalsContact CB-O 3.3Å; C58-Y77 WeakPolarHBondContact CB-O 3.04Å; C58-Y77 PolarHBondContact N-O 3.18Å; C58-L78 HydrophobicContact CB-CD2 3.37Å; C58-L78 HydrophobicContact CB-CG 4.14Å; C58-N81 PolarHBondContact O-ND2 2.81Å
59	D	98.6	Very high	96.8	Very high	35 Å²	35	56.5 Å²	56.5	19%	0.187	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	157.2	-177.5	59.4	-74.9	0	0	0	113.9	K61 Y77 Q79	D59-K61 VanDerWaalsContact C-N 3.29Å; D59-K61 WeakPolarHBondContact O-CD 3.46Å; D59-K61 WeakPolarHBondContact O-CG 3.36Å; D59-K61 PolarHBondContact O-N 2.03Å; D59-Y77 PolarHBondContact N-O 2.8Å; D59-Q79 VanDerWaalsContact CA-O 3.22Å; D59-Q79 WeakPolarHBondContact CA-O 3.48Å; D59-Q79 HydrophobicContact CB-CG 3.88Å; D59-Q79 VanDerWaalsContact CB-O 3.24Å; D59-Q79 WeakPolarHBondContact CB-O 3.49Å; D59-Q79 PolarHBondContact OD2-NE2 2.88Å
60	N	98.4	Very high	96.8	Very high	101 Å²	101	56.3 Å²	56.3	54%	0.54	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	31.2	175.4	-59.1	-81.6	0	0	0	115.1	Q79 N80	N60-Q79 PolarHBondContact N-O 2.98Å; N60-N80 WeakPolarHBondContact CA-O 3.32Å; N60-N80 PolarHBondContact N-O 3Å; N60-N80 VanDerWaalsContact OD1-CB 3.26Å; N60-N80 WeakPolarHBondContact OD1-CB 3.28Å; N60-N80 PolarHBondContact OD1-ND2 3.21Å
61	K	97.9	Very high	97	Very high	101 Å²	101	53.1 Å²	53.1	44%	0.439	30%	0.297	S	S	.	.	S	Bend	trans	-115.3	-1.2	-171.2	-80.4	149.3	176	-65.1	0	114.8	E45 D59 L63 N81	E45-K61 WeakPolarHBondContact O-CD 3.03Å; E45-K61 VanDerWaalsContact O-CE 3.28Å; E45-K61 WeakPolarHBondContact O-CE 3.04Å; E45-K61 PolarHBondContact O-NZ 3Å; D59-K61 VanDerWaalsContact C-N 3.29Å; D59-K61 WeakPolarHBondContact O-CD 3.46Å; D59-K61 WeakPolarHBondContact O-CG 3.36Å; D59-K61 PolarHBondContact O-N 2.03Å; K61-L63 HydrophobicContact CB-CD2 4.04Å; K61-L63 HydrophobicContact CB-CG 3.89Å; K61-L63 PolarHBondContact O-N 2.81Å; K61-N81 WeakPolarHBondContact CA-OD1 3.28Å; K61-N81 PolarHBondContact N-OD1 3.37Å
62	G	98.2	Very high	97	Very high	40 Å²	40	50.4 Å²	50.4	41%	0.412	27%	0.27	S	S	.	.			trans	68.2	23.2	-177.1	0	0	0	0	0	113.6	N81	G62-N81 PolarHBondContact N-OD1 3.14Å
63	L	98.4	Very high	97.1	Very high	24 Å²	24	46.2 Å²	46.2	13%	0.126	25%	0.252	C	S	.	.			trans	-61.3	138.3	179.6	-56.4	-177.8	0	0	0	110.5	E45 C58 K61 L78 N81 L82 I83	E45-L63 HydrophobicContact CB-CD2 4.04Å; E45-L63 HydrophobicContact CG-CD2 4.17Å; C58-L63 HydrophobicContact CB-CD1 3.78Å; C58-L63 WeakPolarHBondContact O-CD1 3.21Å; K61-L63 HydrophobicContact CB-CD2 4.04Å; K61-L63 HydrophobicContact CB-CG 3.89Å; K61-L63 PolarHBondContact O-N 2.81Å; L63-L78 HydrophobicContact CD1-CD2 4.1Å; L63-N81 HydrophobicContact CB-CB 4.25Å; L63-N81 PolarHBondContact N-OD1 2.81Å; L63-L82 CarbonylContact O-C 3.53Å; L63-L82 VanDerWaalsContact O-CA 3.28Å; L63-L82 WeakPolarHBondContact O-CA 3.34Å; L63-L82 PolarHBondContact O-N 3.07Å; L63-I83 HydrophobicContact CB-CG1 4.36Å; L63-I83 PolarHBondContact O-N 3.03Å
64	K	97.8	Very high	97.3	Very high	148 Å²	148	47.5 Å²	47.5	64%	0.643	25%	0.251	S	S	*	.	S	Bend	trans	-100.2	-19.7	175.5	-63.8	-175	178	-174.1	0	113.6	L82 I83	K64-L82 HydrophobicContact CG-CB 4.34Å; K64-I83 WeakPolarHBondContact O-CA 3.47Å
65	E	97.3	Very high	97.4	Very high	144 Å²	144	48.4 Å²	48.4	67%	0.673	25%	0.251	S	S	*	.	S	Bend	trans	-134.1	156.3	-178.1	-66.7	179.9	-160	0	0	108.9
66	I	98.3	Very high	97.5	Very high	13 Å²	13	48.4 Å²	48.4	7%	0.067	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-79.8	123.4	175.4	-58.1	-179.6	0	0	0	108.3	I69 L78 I83 I86 P90 F91 L102	I66-I69 HydrophobicContact CG2-CD1 4.08Å; I66-I69 HydrophobicContact CG2-CG1 4.35Å; I66-L78 HydrophobicContact CD1-CD1 4.35Å; I66-L78 HydrophobicContact CG1-CD1 4.2Å; I66-L78 HydrophobicContact CG2-CD1 3.8Å; I66-I83 HydrophobicContact CD1-CG2 4.39Å; I66-I83 HydrophobicContact CG1-CD1 4.18Å; I66-I83 HydrophobicContact CG1-CG2 3.86Å; I66-I86 HydrophobicContact CD1-CG1 4.33Å; I66-I86 HydrophobicContact CD1-CG2 4.27Å; I66-P90 HydrophobicContact CB-CB 4.06Å; I66-P90 HydrophobicContact CB-CG 3.95Å; I66-P90 HydrophobicContact CG2-CB 3.71Å; I66-P90 HydrophobicContact CG2-CG 4.18Å; I66-P90 VanDerWaalsContact O-CG 3.24Å; I66-P90 WeakPolarHBondContact O-CG 3.36Å; I66-F91 HydrophobicContact CD1-CE2 3.99Å; I66-F91 HydrophobicContact CD1-CZ 3.72Å; I66-F91 HydrophobicContact CG2-CZ 4.07Å; I66-L102 HydrophobicContact CD1-CD2 4Å; I66-L102 HydrophobicContact CG1-CD2 4.49Å
67	P	97	Very high	97.5	Very high	9 Å²	9	50.5 Å²	50.5	6%	0.058	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-70.3	160	179.7	30.1	-34.9	0	0	0	111.2	P43 E45 I69	P43-P67 HydrophobicContact CB-CB 3.93Å; P43-P67 HydrophobicContact CB-CG 4.47Å; P43-P67 HydrophobicContact CG-CB 4.11Å; P43-P67 HydrophobicContact CG-CG 4.49Å; E45-P67 HydrophobicContact CG-CB 4.1Å; E45-P67 HydrophobicContact CG-CG 4.43Å; E45-P67 WeakPolarHBondContact OE1-CB 3.44Å; P67-I69 WeakPolarHBondContact O-CD1 3.22Å; P67-I69 WeakPolarHBondContact O-CG1 3.26Å; P67-I69 PolarHBondContact O-N 2.83Å
68	A	96.6	Very high	97.5	Very high	76 Å²	76	47.2 Å²	47.2	63%	0.628	25%	0.247	S	C	*	.	P	Polyproline II helix	trans	-57.8	122.2	178.2	0	0	0	0	0	111.2	P43 P70	P43-A68 VanDerWaalsContact CG-O 3.29Å; P43-A68 WeakPolarHBondContact CG-O 3.48Å; A68-P70 WeakPolarHBondContact O-CD 3.29Å
69	I	96.9	Very high	97.5	Very high	5 Å²	5	48.6 Å²	48.6	3%	0.026	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-92.4	118.2	-172.7	-51.6	-60.1	0	0	0	110.2	L56 I66 P67 I73 L76 P90 F91 A94 L97	L56-I69 HydrophobicContact CD2-CD1 3.76Å; I66-I69 HydrophobicContact CG2-CD1 4.08Å; I66-I69 HydrophobicContact CG2-CG1 4.35Å; P67-I69 WeakPolarHBondContact O-CD1 3.22Å; P67-I69 WeakPolarHBondContact O-CG1 3.26Å; P67-I69 PolarHBondContact O-N 2.83Å; I69-I73 HydrophobicContact CG2-CB 3.94Å; I69-I73 HydrophobicContact CG2-CG1 4.25Å; I69-I73 HydrophobicContact CG2-CG2 4.24Å; I69-L76 HydrophobicContact CD1-CD1 3.66Å; I69-L76 HydrophobicContact CD1-CD2 3.64Å; I69-L76 HydrophobicContact CD1-CG 4.31Å; I69-L76 HydrophobicContact CG1-CD2 4.01Å; I69-P90 WeakPolarHBondContact CB-O 3.39Å; I69-P90 HydrophobicContact CG1-CB 4.42Å; I69-P90 WeakPolarHBondContact CG1-O 3.24Å; I69-P90 PolarHBondContact N-O 2.98Å; I69-F91 HydrophobicContact CG1-CD1 4.33Å; I69-F91 HydrophobicContact CG1-CE1 4.36Å; I69-A94 HydrophobicContact CB-CB 3.88Å; I69-A94 HydrophobicContact CG2-CB 3.73Å; I69-L97 HydrophobicContact CG2-CD1 4.34Å; I69-L97 HydrophobicContact CG2-CD2 4.44Å
70	P	95.2	Very high	97.5	Very high	10 Å²	10	49.9 Å²	49.9	7%	0.065	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-62.5	145.2	178.1	-21.1	31.6	0	0	0	112.7	E41 A68 R72 I73	E41-P70 HydrophobicContact CB-CG 4.48Å; E41-P70 WeakPolarHBondContact O-CG 3.28Å; A68-P70 WeakPolarHBondContact O-CD 3.29Å; P70-R72 PolarHBondContact O-N 2.94Å; P70-I73 HydrophobicContact CB-CG1 4.15Å; P70-I73 HydrophobicContact CG-CG1 4.27Å; P70-I73 WeakPolarHBondContact O-CG1 3.4Å; P70-I73 PolarHBondContact O-N 3.04Å
71	A	94	Very high	97.5	Very high	48 Å²	48	45.5 Å²	45.5	40%	0.397	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-27.3	-171.9	0	0	0	0	0	115.4	I73 N93 F96	A71-I73 VanDerWaalsContact C-N 3.31Å; A71-I73 PolarHBondContact O-N 2.95Å; A71-N93 VanDerWaalsContact CA-O 3.3Å; A71-N93 WeakPolarHBondContact CA-O 3.3Å; A71-N93 HydrophobicContact CB-CB 4.2Å; A71-N93 WeakPolarHBondContact CB-O 3.14Å; A71-F96 WeakPolarHBondContact O-CD2 3.4Å
72	R	94.3	Very high	97.6	Very high	57 Å²	57	44.2 Å²	44.2	22%	0.215	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-14.7	-179.8	75.6	-178	-174.6	-80.8	-8.6	114.2	E41 C48 P53 N54 P70 W74	E41-R72 PolarHBondContact O-NH1 3.45Å; E41-R72 PolarHBondContact O-NH2 2.81Å; E41-R72 VanDerWaalsContact O-NH2 3.11Å; C48-R72 PolarHBondContact SG-NH2 2.83Å; P53-R72 WeakPolarHBondContact O-CD 3.43Å; P53-R72 PolarHBondContact O-NE 3.24Å; N54-R72 PolarHBondContact OD1-O 3.03Å; P70-R72 PolarHBondContact O-N 2.94Å; R72-W74 PolarHBondContact O-N 3.05Å
73	I	97.2	Very high	97.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.214	C	C	.	.			trans	-73.6	129.1	-169.8	-58.8	-55.8	0	0	0	110.7	N54 L56 I69 P70 A71 Y75 L76 F96 L97	N54-I73 WeakPolarHBondContact O-CA 3.27Å; L56-I73 HydrophobicContact CB-CD1 3.87Å; L56-I73 HydrophobicContact CB-CG1 4.02Å; L56-I73 HydrophobicContact CB-CG2 3.86Å; L56-I73 HydrophobicContact CD2-CG1 4.48Å; I69-I73 HydrophobicContact CG2-CB 3.94Å; I69-I73 HydrophobicContact CG2-CG1 4.25Å; I69-I73 HydrophobicContact CG2-CG2 4.24Å; P70-I73 HydrophobicContact CB-CG1 4.15Å; P70-I73 HydrophobicContact CG-CG1 4.27Å; P70-I73 WeakPolarHBondContact O-CG1 3.4Å; P70-I73 PolarHBondContact O-N 3.04Å; A71-I73 VanDerWaalsContact C-N 3.31Å; A71-I73 PolarHBondContact O-N 2.95Å; I73-Y75 WeakPolarHBondContact CG2-O 3.35Å; I73-L76 HydrophobicContact CG2-CB 4.49Å; I73-F96 CarbonylContact O-C 3.59Å; I73-L97 HydrophobicContact CB-CD2 4.41Å; I73-L97 HydrophobicContact CG2-CD2 3.85Å; I73-L97 PolarHBondContact O-N 3.19Å
74	W	98.2	Very high	97.6	Very high	71 Å²	71	46.1 Å²	46.1	27%	0.269	23%	0.231	S	C	.	.	S	Bend	trans	-109.1	-31.9	175.7	-64.2	14.6	0	0	0	111.1	N54 R72 R98 W99	N54-W74 HydrophobicContact CB-CB 4.22Å; N54-W74 HydrophobicContact CB-CD2 4.45Å; N54-W74 HydrophobicContact CB-CG 4.06Å; N54-W74 PolarHBondContact O-N 2.8Å; R72-W74 PolarHBondContact O-N 3.05Å; W74-R98 VanDerWaalsContact CZ3-NH2 3.31Å; W74-R98 PolarHBondContact O-N 3.03Å; W74-W99 PolarHBondContact O-N 3.21Å
75	Y	98.7	Very high	97.6	Very high	65 Å²	65	41.9 Å²	41.9	26%	0.255	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	114.8	-176.2	-52.8	-87.2	0	0	0	110.2	F52 N54 A55 L56 I73 W99	F52-Y75 AromaticContact CE1-CD2 3.83Å; F52-Y75 HydrophobicContact CE1-CD2 3.83Å; F52-Y75 HydrophobicContact CE1-CE2 4.24Å; F52-Y75 HydrophobicContact CE1-CG 4.33Å; F52-Y75 HydrophobicContact CE2-CE2 4.47Å; F52-Y75 AromaticContact CZ-CD2 3.67Å; F52-Y75 HydrophobicContact CZ-CD2 3.67Å; F52-Y75 AromaticContact CZ-CE2 3.6Å; F52-Y75 HydrophobicContact CZ-CE2 3.6Å; F52-Y75 HydrophobicContact CZ-CG 4.46Å; N54-Y75 PolarHBondContact O-N 3.04Å; N54-Y75 VanDerWaalsContact O-N 3.14Å; A55-Y75 WeakPolarHBondContact CA-O 3.37Å; L56-Y75 PolarHBondContact N-O 3.35Å; I73-Y75 WeakPolarHBondContact CG2-O 3.35Å; Y75-W99 HydrophobicContact CD1-CB 3.69Å; Y75-W99 HydrophobicContact CD1-CG 4.1Å; Y75-W99 HydrophobicContact CE1-CB 4.32Å
76	L	98.7	Very high	97.7	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	119.6	-176.8	178.4	54.3	0	0	0	110.3	L56 I69 I73 L78 F91 L97 W99 I100 N101	L56-L76 HydrophobicContact CB-CD1 4.18Å; L56-L76 HydrophobicContact CD2-CD1 3.91Å; L56-L76 HydrophobicContact CG-CD1 4.15Å; I69-L76 HydrophobicContact CD1-CD1 3.66Å; I69-L76 HydrophobicContact CD1-CD2 3.64Å; I69-L76 HydrophobicContact CD1-CG 4.31Å; I69-L76 HydrophobicContact CG1-CD2 4.01Å; I73-L76 HydrophobicContact CG2-CB 4.49Å; L76-L78 HydrophobicContact CD1-CD1 3.85Å; L76-L78 HydrophobicContact CD1-CG 3.92Å; L76-L78 HydrophobicContact CD2-CD1 3.66Å; L76-L78 HydrophobicContact CG-CD1 3.61Å; L76-L78 HydrophobicContact CG-CG 4.03Å; L76-F91 HydrophobicContact CD2-CE1 4.03Å; L76-L97 HydrophobicContact CB-CD2 3.84Å; L76-L97 HydrophobicContact CD2-CD1 4.33Å; L76-L97 HydrophobicContact CD2-CD2 4.36Å; L76-W99 PolarHBondContact N-O 3.3Å; L76-I100 HydrophobicContact CB-CG1 4.3Å; L76-I100 HydrophobicContact CD2-CG1 4.31Å; L76-I100 HydrophobicContact CD2-CG2 4.44Å; L76-N101 PolarHBondContact O-N 3.43Å
77	Y	98.8	Very high	97.6	Very high	45 Å²	45	36.3 Å²	36.3	18%	0.176	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	109.2	179.1	-58.2	-85.5	0	0	0	109.2	A55 L56 Y57 C58 D59	A55-Y77 HydrophobicContact CB-CE2 4.25Å; L56-Y77 PolarHBondContact O-N 3.27Å; Y57-Y77 AromaticContact CD1-CD2 3.61Å; Y57-Y77 HydrophobicContact CD1-CD2 3.61Å; Y57-Y77 HydrophobicContact CD1-CE2 4.21Å; Y57-Y77 AromaticContact CD1-CG 3.94Å; Y57-Y77 HydrophobicContact CD1-CG 3.94Å; Y57-Y77 HydrophobicContact CD2-CD2 4.42Å; Y57-Y77 HydrophobicContact CE1-CD1 4.48Å; Y57-Y77 AromaticContact CE1-CD2 3.45Å; Y57-Y77 HydrophobicContact CE1-CD2 3.45Å; Y57-Y77 VanDerWaalsContact CE1-CD2 3.45Å; Y57-Y77 AromaticContact CE1-CE2 3.56Å; Y57-Y77 HydrophobicContact CE1-CE2 3.56Å; Y57-Y77 AromaticContact CE1-CG 3.95Å; Y57-Y77 HydrophobicContact CE1-CG 3.95Å; Y57-Y77 HydrophobicContact CE2-CD2 4.28Å; Y57-Y77 HydrophobicContact CE2-CE2 4.22Å; Y57-Y77 HydrophobicContact CG-CD2 4.11Å; Y57-Y77 AromaticContact CZ-CD2 3.81Å; Y57-Y77 AromaticContact CZ-CE2 3.56Å; C58-Y77 CarbonylContact C-O 3.22Å; C58-Y77 VanDerWaalsContact C-O 3.31Å; C58-Y77 VanDerWaalsContact CA-O 3.27Å; C58-Y77 WeakPolarHBondContact CA-O 3.29Å; C58-Y77 VanDerWaalsContact CB-O 3.3Å; C58-Y77 WeakPolarHBondContact CB-O 3.04Å; C58-Y77 PolarHBondContact N-O 3.18Å; D59-Y77 PolarHBondContact N-O 2.8Å
78	L	98.8	Very high	97.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.208	C	C	.	.			trans	-126.2	12.6	-179.3	-74.5	160.5	0	0	0	111.7	C58 L63 I66 L76 N81 I83 N101 L102 N105	C58-L78 HydrophobicContact CB-CD2 3.37Å; C58-L78 HydrophobicContact CB-CG 4.14Å; L63-L78 HydrophobicContact CD1-CD2 4.1Å; I66-L78 HydrophobicContact CD1-CD1 4.35Å; I66-L78 HydrophobicContact CG1-CD1 4.2Å; I66-L78 HydrophobicContact CG2-CD1 3.8Å; L76-L78 HydrophobicContact CD1-CD1 3.85Å; L76-L78 HydrophobicContact CD1-CG 3.92Å; L76-L78 HydrophobicContact CD2-CD1 3.66Å; L76-L78 HydrophobicContact CG-CD1 3.61Å; L76-L78 HydrophobicContact CG-CG 4.03Å; L78-N81 PolarHBondContact O-ND2 2.96Å; L78-I83 HydrophobicContact CB-CD1 3.99Å; L78-I83 HydrophobicContact CD2-CD1 3.9Å; L78-I83 HydrophobicContact CG-CD1 4.4Å; L78-N101 CarbonylContact C-O 3.51Å; L78-N101 VanDerWaalsContact CA-O 3.29Å; L78-N101 WeakPolarHBondContact CA-O 3.35Å; L78-N101 WeakPolarHBondContact CB-O 3.5Å; L78-N101 PolarHBondContact N-O 3Å; L78-L102 HydrophobicContact CB-CD2 3.72Å; L78-L102 HydrophobicContact CB-CG 4.47Å; L78-L102 HydrophobicContact CD1-CD2 3.77Å; L78-L102 HydrophobicContact CG-CD2 4.38Å; L78-N105 PolarHBondContact O-ND2 3.48Å
79	Q	98.8	Very high	97.6	Very high	29 Å²	29	44 Å²	44	14%	0.136	22%	0.216	C	C	.	.			trans	-66.3	157.4	-176.7	68.6	-79.7	-8.5	0	0	113.6	D59 N60 N81 N101 N103	D59-Q79 VanDerWaalsContact CA-O 3.22Å; D59-Q79 WeakPolarHBondContact CA-O 3.48Å; D59-Q79 HydrophobicContact CB-CG 3.88Å; D59-Q79 VanDerWaalsContact CB-O 3.24Å; D59-Q79 WeakPolarHBondContact CB-O 3.49Å; D59-Q79 PolarHBondContact OD2-NE2 2.88Å; N60-Q79 PolarHBondContact N-O 2.98Å; Q79-N81 PolarHBondContact O-ND2 3.01Å; Q79-N101 PolarHBondContact N-O 2.89Å; Q79-N101 PolarHBondContact OE1-ND2 3.41Å; Q79-N103 CarbonylContact C-O 3.45Å; Q79-N103 WeakPolarHBondContact CA-O 3.25Å; Q79-N103 HydrophobicContact CB-CB 4.07Å; Q79-N103 VanDerWaalsContact CB-O 3.26Å; Q79-N103 WeakPolarHBondContact CB-O 3.07Å
80	N	98.8	Very high	97.6	Very high	61 Å²	61	44.4 Å²	44.4	33%	0.326	22%	0.218	S	C	.	.	S	Bend	trans	56.5	54.3	-179.9	-53.8	-25.9	0	0	0	112.6	N60 N103 K104	N60-N80 WeakPolarHBondContact CA-O 3.32Å; N60-N80 PolarHBondContact N-O 3Å; N60-N80 VanDerWaalsContact OD1-CB 3.26Å; N60-N80 WeakPolarHBondContact OD1-CB 3.28Å; N60-N80 PolarHBondContact OD1-ND2 3.21Å; N80-N103 PolarHBondContact N-O 3.38Å; N80-K104 CarbonylContact C-O 3.14Å; N80-K104 VanDerWaalsContact CA-O 3.25Å; N80-K104 WeakPolarHBondContact CA-O 3.36Å; N80-K104 PolarHBondContact N-O 3.39Å; N80-K104 WeakPolarHBondContact OD1-CB 3.07Å; N80-K104 WeakPolarHBondContact OD1-CD 3.24Å
81	N	98.8	Very high	97.7	Very high	10 Å²	10	44.5 Å²	44.5	5%	0.053	22%	0.218	C	C	.	.	S	Bend	trans	-128.2	-167.3	177	-80.6	-56.2	0	0	0	110.1	C58 K61 G62 L63 L78 Q79 I83 K104 N105	C58-N81 PolarHBondContact O-ND2 2.81Å; K61-N81 WeakPolarHBondContact CA-OD1 3.28Å; K61-N81 PolarHBondContact N-OD1 3.37Å; G62-N81 PolarHBondContact N-OD1 3.14Å; L63-N81 HydrophobicContact CB-CB 4.25Å; L63-N81 PolarHBondContact N-OD1 2.81Å; L78-N81 PolarHBondContact O-ND2 2.96Å; Q79-N81 PolarHBondContact O-ND2 3.01Å; N81-I83 HydrophobicContact CB-CD1 4.04Å; N81-I83 HydrophobicContact CB-CG1 4.06Å; N81-K104 PolarHBondContact N-O 3.44Å; N81-N105 WeakPolarHBondContact CA-OD1 3.42Å; N81-N105 WeakPolarHBondContact CB-OD1 3.27Å; N81-N105 PolarHBondContact O-OD1 2.8Å
82	L	98.7	Very high	97.6	Very high	74 Å²	74	46.6 Å²	46.6	39%	0.387	23%	0.225	S	C	.	.			trans	-118.3	29.9	-179.8	-58.8	174	0	0	0	110.4	L63 K64 E84 N105	L63-L82 CarbonylContact O-C 3.53Å; L63-L82 VanDerWaalsContact O-CA 3.28Å; L63-L82 WeakPolarHBondContact O-CA 3.34Å; L63-L82 PolarHBondContact O-N 3.07Å; K64-L82 HydrophobicContact CG-CB 4.34Å; L82-E84 PolarHBondContact O-N 3.47Å; L82-N105 PolarHBondContact N-OD1 2.76Å
83	I	98.8	Very high	97.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.241	C	C	.	.			trans	-71.8	123.1	-174.8	-60.8	161.8	0	0	0	108.8	L63 K64 I66 L78 N81 T85 L102 N105 K106 I107	L63-I83 HydrophobicContact CB-CG1 4.36Å; L63-I83 PolarHBondContact O-N 3.03Å; K64-I83 WeakPolarHBondContact O-CA 3.47Å; I66-I83 HydrophobicContact CD1-CG2 4.39Å; I66-I83 HydrophobicContact CG1-CD1 4.18Å; I66-I83 HydrophobicContact CG1-CG2 3.86Å; L78-I83 HydrophobicContact CB-CD1 3.99Å; L78-I83 HydrophobicContact CD2-CD1 3.9Å; L78-I83 HydrophobicContact CG-CD1 4.4Å; N81-I83 HydrophobicContact CB-CD1 4.04Å; N81-I83 HydrophobicContact CB-CG1 4.06Å; I83-T85 VanDerWaalsContact CG2-O 3.28Å; I83-T85 WeakPolarHBondContact CG2-O 3.4Å; I83-L102 HydrophobicContact CD1-CD2 4.12Å; I83-N105 HydrophobicContact CB-CB 4.26Å; I83-N105 VanDerWaalsContact CB-OD1 3.27Å; I83-N105 WeakPolarHBondContact CB-OD1 3.45Å; I83-N105 WeakPolarHBondContact CG1-OD1 3.48Å; I83-N105 PolarHBondContact N-OD1 2.63Å; I83-K106 CarbonylContact O-C 3.53Å; I83-K106 WeakPolarHBondContact O-CA 3.48Å; I83-K106 PolarHBondContact O-N 3.29Å; I83-I107 HydrophobicContact CG2-CG1 4.4Å; I83-I107 WeakPolarHBondContact O-CG1 3.28Å; I83-I107 PolarHBondContact O-N 2.94Å
84	E	98.1	Very high	97.4	Very high	103 Å²	103	48.9 Å²	48.9	48%	0.481	24%	0.242	S	C	.	.			trans	-102.4	-22.5	179.2	-71.8	168.2	-163.2	0	0	111.6	L82 K106	L82-E84 PolarHBondContact O-N 3.47Å; E84-K106 HydrophobicContact CG-CB 3.64Å; E84-K106 HydrophobicContact CG-CD 4.13Å; E84-K106 IonicContact OE1-NZ 3.96Å
85	T	98	Very high	97	Very high	59 Å²	59	49.6 Å²	49.6	36%	0.362	26%	0.255	S	S	.	.			trans	-128.7	146.2	-173.8	64	0	0	0	0	114.7	I83 G111	I83-T85 VanDerWaalsContact CG2-O 3.28Å; I83-T85 WeakPolarHBondContact CG2-O 3.4Å; T85-G111 CarbonylContact C-O 3.46Å; T85-G111 WeakPolarHBondContact CA-O 3.46Å; T85-G111 WeakPolarHBondContact CB-O 3.39Å
86	I	98.3	Very high	96.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-116.9	93.1	166.5	-48.7	-176.9	0	0	0	107.2	I66 F91 L102 I107 G111 I112 E113 V116 L117 L128	I66-I86 HydrophobicContact CD1-CG1 4.33Å; I66-I86 HydrophobicContact CD1-CG2 4.27Å; I86-F91 HydrophobicContact CG2-CE2 3.66Å; I86-F91 HydrophobicContact CG2-CZ 4.22Å; I86-L102 HydrophobicContact CD1-CD1 3.77Å; I86-L102 HydrophobicContact CG1-CD1 4.38Å; I86-I107 HydrophobicContact CD1-CD1 4.09Å; I86-I107 HydrophobicContact CD1-CG2 4.16Å; I86-I107 HydrophobicContact CG1-CD1 4.08Å; I86-I107 HydrophobicContact CG1-CG2 4.1Å; I86-G111 PolarHBondContact N-O 3.46Å; I86-I112 HydrophobicContact CB-CG1 4.37Å; I86-I112 HydrophobicContact CD1-CD1 4.2Å; I86-I112 HydrophobicContact CD1-CG1 3.96Å; I86-I112 HydrophobicContact CG1-CG1 4.16Å; I86-E113 WeakPolarHBondContact O-CB 3.3Å; I86-E113 PolarHBondContact O-N 2.9Å; I86-V116 HydrophobicContact CB-CG1 4.36Å; I86-V116 HydrophobicContact CG2-CG1 3.77Å; I86-V116 HydrophobicContact CG2-CG2 4.33Å; I86-L117 HydrophobicContact CD1-CD2 4.25Å; I86-L117 HydrophobicContact CG2-CD2 4.3Å; I86-L128 HydrophobicContact CD1-CD2 4.3Å
87	S	97.4	Very high	96.8	Very high	41 Å²	41	50.4 Å²	50.4	29%	0.287	26%	0.259	S	S	.	.			trans	-94.3	166.7	174.3	56.7	0	0	0	0	112	P90 F91 E113	S87-P90 VanDerWaalsContact O-CD 3.28Å; S87-P90 WeakPolarHBondContact O-CD 3.45Å; S87-P90 WeakPolarHBondContact OG-CD 3.28Å; S87-F91 VanDerWaalsContact O-CD2 3.25Å; S87-F91 WeakPolarHBondContact O-CD2 3.4Å; S87-E113 VanDerWaalsContact CA-OE2 3.22Å; S87-E113 WeakPolarHBondContact CA-OE2 3.48Å; S87-E113 WeakPolarHBondContact CB-OE2 3.08Å
88	E	96.2	Very high	96.8	Very high	67 Å²	67	52.7 Å²	52.7	31%	0.313	27%	0.268	S	S	.	.	S	Bend	trans	-70.3	-37.1	178.5	173.2	164.5	-151.3	0	0	113.2	P90 F91 V92 E113 V116 K119	E88-P90 VanDerWaalsContact C-CD 3.42Å; E88-P90 VanDerWaalsContact O-N 3.16Å; E88-F91 PolarHBondContact O-N 3.16Å; E88-V92 HydrophobicContact CG-CG2 4.29Å; E88-V92 PolarHBondContact O-N 2.89Å; E88-E113 PolarHBondContact N-OE2 3.04Å; E88-V116 HydrophobicContact CB-CG2 4.39Å; E88-K119 WeakPolarHBondContact OE1-CD 3.19Å; E88-K119 IonicContact OE1-NZ 2.71Å; E88-K119 PolarHBondContact OE1-NZ 3.4Å; E88-K119 IonicContact OE2-NZ 3.1Å; E88-K119 PolarHBondContact OE2-NZ 3.46Å
89	K	96.4	Very high	96.8	Very high	180 Å²	180	56.1 Å²	56.1	78%	0.783	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-48.7	-43.3	-171.8	179.5	-175	175.2	-168.5	0	114.7	F91	K89-F91 VanDerWaalsContact C-N 3.28Å; K89-F91 PolarHBondContact O-N 2.86Å
90	P	97.1	Very high	96.8	Very high	12 Å²	12	54.8 Å²	54.8	8%	0.078	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-66.9	-26	178.5	-21.4	36	0	0	0	114	I66 I69 S87 E88	I66-P90 HydrophobicContact CB-CB 4.06Å; I66-P90 HydrophobicContact CB-CG 3.95Å; I66-P90 HydrophobicContact CG2-CB 3.71Å; I66-P90 HydrophobicContact CG2-CG 4.18Å; I66-P90 VanDerWaalsContact O-CG 3.24Å; I66-P90 WeakPolarHBondContact O-CG 3.36Å; I69-P90 WeakPolarHBondContact CB-O 3.39Å; I69-P90 HydrophobicContact CG1-CB 4.42Å; I69-P90 WeakPolarHBondContact CG1-O 3.24Å; I69-P90 PolarHBondContact N-O 2.98Å; S87-P90 VanDerWaalsContact O-CD 3.28Å; S87-P90 WeakPolarHBondContact O-CD 3.45Å; S87-P90 WeakPolarHBondContact OG-CD 3.28Å; E88-P90 VanDerWaalsContact C-CD 3.42Å; E88-P90 VanDerWaalsContact O-N 3.16Å
91	F	96.9	Very high	96.8	Very high	13 Å²	13	53.2 Å²	53.2	6%	0.057	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-101	-4	-170.3	-59.3	-74.5	0	0	0	114.9	I66 I69 L76 I86 S87 E88 K89 N93 A94 L97 I100 V116 L120	I66-F91 HydrophobicContact CD1-CE2 3.99Å; I66-F91 HydrophobicContact CD1-CZ 3.72Å; I66-F91 HydrophobicContact CG2-CZ 4.07Å; I69-F91 HydrophobicContact CG1-CD1 4.33Å; I69-F91 HydrophobicContact CG1-CE1 4.36Å; L76-F91 HydrophobicContact CD2-CE1 4.03Å; I86-F91 HydrophobicContact CG2-CE2 3.66Å; I86-F91 HydrophobicContact CG2-CZ 4.22Å; S87-F91 VanDerWaalsContact O-CD2 3.25Å; S87-F91 WeakPolarHBondContact O-CD2 3.4Å; E88-F91 PolarHBondContact O-N 3.16Å; K89-F91 VanDerWaalsContact C-N 3.28Å; K89-F91 PolarHBondContact O-N 2.86Å; F91-N93 PolarHBondContact O-N 2.86Å; F91-A94 HydrophobicContact CB-CB 4.45Å; F91-A94 HydrophobicContact CD1-CB 4.42Å; F91-A94 WeakPolarHBondContact O-CB 3.44Å; F91-A94 PolarHBondContact O-N 3.06Å; F91-L97 HydrophobicContact CD1-CD1 3.68Å; F91-L97 HydrophobicContact CE1-CD1 3.98Å; F91-I100 HydrophobicContact CE1-CD1 4.13Å; F91-V116 HydrophobicContact CD2-CG2 4.05Å; F91-L120 HydrophobicContact CB-CD2 4.13Å; F91-L120 HydrophobicContact CD1-CD2 4.12Å; F91-L120 HydrophobicContact CG-CD2 4.27Å
92	V	93.6	Very high	96.8	Very high	91 Å²	91	52.8 Å²	52.8	55%	0.552	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.1	-42.7	-175.3	174.3	0	0	0	0	112.9	E88	E88-V92 HydrophobicContact CG-CG2 4.29Å; E88-V92 PolarHBondContact O-N 2.89Å
93	N	91.9	Very high	96.8	Very high	103 Å²	103	50.4 Å²	50.4	55%	0.551	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-12.8	-179.7	-69.2	-19.3	0	0	0	113.8	A71 F91 T95	A71-N93 VanDerWaalsContact CA-O 3.3Å; A71-N93 WeakPolarHBondContact CA-O 3.3Å; A71-N93 HydrophobicContact CB-CB 4.2Å; A71-N93 WeakPolarHBondContact CB-O 3.14Å; F91-N93 PolarHBondContact O-N 2.86Å; N93-T95 PolarHBondContact O-N 2.87Å
94	A	93.9	Very high	96.8	Very high	2 Å²	2	55.5 Å²	55.5	2%	0.017	27%	0.274	C	S	.	.			trans	-82.1	41.7	-163.9	0	0	0	0	0	114.4	I69 F91 F96 L97	I69-A94 HydrophobicContact CB-CB 3.88Å; I69-A94 HydrophobicContact CG2-CB 3.73Å; F91-A94 HydrophobicContact CB-CB 4.45Å; F91-A94 HydrophobicContact CD1-CB 4.42Å; F91-A94 WeakPolarHBondContact O-CB 3.44Å; F91-A94 PolarHBondContact O-N 3.06Å; A94-F96 PolarHBondContact O-N 2.69Å; A94-L97 HydrophobicContact CB-CD1 3.52Å; A94-L97 HydrophobicContact CB-CG 3.93Å; A94-L97 PolarHBondContact O-N 3.05Å
95	T	90	Very high	96.8	Very high	87 Å²	87	51.1 Å²	51.1	53%	0.534	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-2.2	-171.5	59.9	0	0	0	0	115.4	N93 R122	N93-T95 PolarHBondContact O-N 2.87Å; T95-R122 WeakPolarHBondContact O-CD 3.18Å; T95-R122 PolarHBondContact O-NH1 2.75Å
96	F	95.6	Very high	96.9	Very high	79 Å²	79	52.2 Å²	52.2	35%	0.346	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	2.7	178.7	-68.1	-96.5	0	0	0	114.1	A71 I73 A94 R98	A71-F96 WeakPolarHBondContact O-CD2 3.4Å; I73-F96 CarbonylContact O-C 3.59Å; A94-F96 PolarHBondContact O-N 2.69Å; F96-R98 WeakPolarHBondContact O-CG 3.5Å; F96-R98 PolarHBondContact O-N 3.46Å
97	L	98	Very high	96.9	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.01	25%	0.253	C	S	.	.			trans	-56.7	128.8	176.9	-76.7	172.8	0	0	0	111.6	I69 I73 L76 F91 A94 I100 L120 R122 L123	I69-L97 HydrophobicContact CG2-CD1 4.34Å; I69-L97 HydrophobicContact CG2-CD2 4.44Å; I73-L97 HydrophobicContact CB-CD2 4.41Å; I73-L97 HydrophobicContact CG2-CD2 3.85Å; I73-L97 PolarHBondContact O-N 3.19Å; L76-L97 HydrophobicContact CB-CD2 3.84Å; L76-L97 HydrophobicContact CD2-CD1 4.33Å; L76-L97 HydrophobicContact CD2-CD2 4.36Å; F91-L97 HydrophobicContact CD1-CD1 3.68Å; F91-L97 HydrophobicContact CE1-CD1 3.98Å; A94-L97 HydrophobicContact CB-CD1 3.52Å; A94-L97 HydrophobicContact CB-CG 3.93Å; A94-L97 PolarHBondContact O-N 3.05Å; L97-I100 HydrophobicContact CD1-CD1 3.89Å; L97-I100 HydrophobicContact CD1-CG1 4.23Å; L97-I100 HydrophobicContact CD2-CG1 4.42Å; L97-L120 HydrophobicContact CD1-CD2 4.3Å; L97-R122 CarbonylContact O-C 3.35Å; L97-L123 PolarHBondContact O-N 2.87Å
98	R	98.6	Very high	96.9	Very high	93 Å²	93	52.8 Å²	52.8	35%	0.351	26%	0.255	S	S	.	.			trans	-117.6	-27.4	176.4	-56.7	-171.3	-170.4	-152.9	3.7	112.5	W74 F96 L124 Y125	W74-R98 VanDerWaalsContact CZ3-NH2 3.31Å; W74-R98 PolarHBondContact O-N 3.03Å; F96-R98 WeakPolarHBondContact O-CG 3.5Å; F96-R98 PolarHBondContact O-N 3.46Å; R98-L124 HydrophobicContact CB-CD1 4.48Å; R98-L124 HydrophobicContact CB-CG 4.47Å; R98-L124 PolarHBondContact O-N 2.92Å; R98-Y125 PolarHBondContact O-N 3.02Å
99	W	98.8	Very high	97	Very high	72 Å²	72	50.9 Å²	50.9	27%	0.273	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	121.7	-174.3	-176.8	-65.3	0	0	0	109.6	W74 Y75 L76 Y125 F127	W74-W99 PolarHBondContact O-N 3.21Å; Y75-W99 HydrophobicContact CD1-CB 3.69Å; Y75-W99 HydrophobicContact CD1-CG 4.1Å; Y75-W99 HydrophobicContact CE1-CB 4.32Å; L76-W99 PolarHBondContact N-O 3.3Å; W99-Y125 WeakPolarHBondContact CA-O 3.24Å; W99-Y125 HydrophobicContact CD2-CG 4.25Å; W99-Y125 AromaticContact CE3-CD1 3.95Å; W99-Y125 HydrophobicContact CE3-CD1 3.95Å; W99-Y125 AromaticContact CE3-CD2 3.62Å; W99-Y125 HydrophobicContact CE3-CD2 3.62Å; W99-Y125 HydrophobicContact CE3-CE2 4.4Å; W99-Y125 AromaticContact CE3-CG 3.44Å; W99-Y125 HydrophobicContact CE3-CG 3.44Å; W99-Y125 VanDerWaalsContact CE3-CG 3.44Å; W99-Y125 AromaticContact CZ3-CD1 3.72Å; W99-Y125 HydrophobicContact CZ3-CD1 3.72Å; W99-Y125 HydrophobicContact CZ3-CD2 4.13Å; W99-Y125 HydrophobicContact CZ3-CE1 4.19Å; W99-Y125 AromaticContact CZ3-CG 3.73Å; W99-Y125 HydrophobicContact CZ3-CG 3.73Å; W99-F127 AromaticContact CD2-CE2 3.68Å; W99-F127 HydrophobicContact CD2-CE2 3.68Å; W99-F127 HydrophobicContact CD2-CZ 4.31Å; W99-F127 AromaticContact CE2-CE2 3.22Å; W99-F127 AromaticContact CE2-CZ 3.75Å; W99-F127 HydrophobicContact CE3-CE2 4.19Å; W99-F127 HydrophobicContact CE3-CZ 4.45Å; W99-F127 HydrophobicContact CG-CE2 4.21Å; W99-F127 AromaticContact CH2-CE2 3.92Å; W99-F127 HydrophobicContact CH2-CE2 3.92Å; W99-F127 AromaticContact CH2-CZ 3.55Å; W99-F127 HydrophobicContact CH2-CZ 3.55Å; W99-F127 HydrophobicContact CZ2-CD2 4.38Å; W99-F127 HydrophobicContact CZ2-CE1 4.36Å; W99-F127 AromaticContact CZ2-CE2 3.37Å; W99-F127 HydrophobicContact CZ2-CE2 3.37Å; W99-F127 AromaticContact CZ2-CZ 3.36Å; W99-F127 HydrophobicContact CZ2-CZ 3.36Å; W99-F127 HydrophobicContact CZ3-CE2 4.29Å; W99-F127 HydrophobicContact CZ3-CZ 4.1Å; W99-F127 AromaticContact NE1-CD2 3.89Å; W99-F127 AromaticContact NE1-CE2 3.48Å
100	I	98.8	Very high	97.1	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	117.9	175.3	-63.8	172.2	0	0	0	108.8	L76 F91 L97 L102 L120 L123 Y125 L126 F127	L76-I100 HydrophobicContact CB-CG1 4.3Å; L76-I100 HydrophobicContact CD2-CG1 4.31Å; L76-I100 HydrophobicContact CD2-CG2 4.44Å; F91-I100 HydrophobicContact CE1-CD1 4.13Å; L97-I100 HydrophobicContact CD1-CD1 3.89Å; L97-I100 HydrophobicContact CD1-CG1 4.23Å; L97-I100 HydrophobicContact CD2-CG1 4.42Å; I100-L102 HydrophobicContact CG2-CD1 3.64Å; I100-L102 HydrophobicContact CG2-CG 3.79Å; I100-L120 HydrophobicContact CD1-CD1 3.56Å; I100-L123 HydrophobicContact CB-CD1 4.13Å; I100-L123 HydrophobicContact CD1-CD1 3.63Å; I100-L123 HydrophobicContact CD1-CD2 4.14Å; I100-L123 HydrophobicContact CG1-CD1 3.6Å; I100-Y125 PolarHBondContact N-O 3.44Å; I100-L126 HydrophobicContact CB-CD1 4.29Å; I100-L126 HydrophobicContact CG2-CD1 4.35Å; I100-F127 WeakPolarHBondContact O-CD2 3.33Å; I100-F127 PolarHBondContact O-N 2.91Å
101	N	98.9	Very high	97.1	Very high	28 Å²	28	50 Å²	50	15%	0.15	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	106.4	174.4	-169.5	1.9	0	0	0	111.7	L76 L78 Q79 N103 F127	L76-N101 PolarHBondContact O-N 3.43Å; L78-N101 CarbonylContact C-O 3.51Å; L78-N101 VanDerWaalsContact CA-O 3.29Å; L78-N101 WeakPolarHBondContact CA-O 3.35Å; L78-N101 WeakPolarHBondContact CB-O 3.5Å; L78-N101 PolarHBondContact N-O 3Å; Q79-N101 PolarHBondContact N-O 2.89Å; Q79-N101 PolarHBondContact OE1-ND2 3.41Å; N101-N103 WeakPolarHBondContact OD1-CB 3.42Å; N101-N103 PolarHBondContact OD1-N 2.97Å; N101-N103 VanDerWaalsContact OD1-N 3.16Å; N101-F127 HydrophobicContact CB-CB 4.44Å; N101-F127 HydrophobicContact CB-CD2 4.27Å; N101-F127 WeakPolarHBondContact OD1-CB 3.25Å
102	L	98.8	Very high	97.2	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	26%	0.256	C	S	.	.			trans	-114	15.8	177.4	-74.8	161.4	0	0	0	112	I66 L78 I83 I86 I100 N105 I107 F127 L128 N131	I66-L102 HydrophobicContact CD1-CD2 4Å; I66-L102 HydrophobicContact CG1-CD2 4.49Å; L78-L102 HydrophobicContact CB-CD2 3.72Å; L78-L102 HydrophobicContact CB-CG 4.47Å; L78-L102 HydrophobicContact CD1-CD2 3.77Å; L78-L102 HydrophobicContact CG-CD2 4.38Å; I83-L102 HydrophobicContact CD1-CD2 4.12Å; I86-L102 HydrophobicContact CD1-CD1 3.77Å; I86-L102 HydrophobicContact CG1-CD1 4.38Å; I100-L102 HydrophobicContact CG2-CD1 3.64Å; I100-L102 HydrophobicContact CG2-CG 3.79Å; L102-N105 PolarHBondContact O-ND2 3.37Å; L102-I107 HydrophobicContact CB-CD1 3.93Å; L102-I107 HydrophobicContact CD1-CD1 4.19Å; L102-I107 HydrophobicContact CD2-CD1 4.07Å; L102-I107 HydrophobicContact CG-CD1 4.29Å; L102-F127 CarbonylContact C-O 3.45Å; L102-F127 WeakPolarHBondContact CA-O 3.26Å; L102-F127 WeakPolarHBondContact CB-O 3.16Å; L102-F127 PolarHBondContact N-O 2.86Å; L102-L128 HydrophobicContact CB-CD2 3.79Å; L102-L128 HydrophobicContact CD1-CD2 4.05Å; L102-N131 PolarHBondContact O-ND2 2.9Å
103	N	98.4	Very high	97.4	Very high	24 Å²	24	50.5 Å²	50.5	13%	0.128	25%	0.25	C	C	.	.			trans	-53.6	141.8	177.4	-178.2	-68.4	0	0	0	112.4	Q79 N80 N101 N105 F127 E129	Q79-N103 CarbonylContact C-O 3.45Å; Q79-N103 WeakPolarHBondContact CA-O 3.25Å; Q79-N103 HydrophobicContact CB-CB 4.07Å; Q79-N103 VanDerWaalsContact CB-O 3.26Å; Q79-N103 WeakPolarHBondContact CB-O 3.07Å; N80-N103 PolarHBondContact N-O 3.38Å; N101-N103 WeakPolarHBondContact OD1-CB 3.42Å; N101-N103 PolarHBondContact OD1-N 2.97Å; N101-N103 VanDerWaalsContact OD1-N 3.16Å; N103-N105 PolarHBondContact O-ND2 2.89Å; N103-F127 PolarHBondContact N-O 3.38Å; N103-E129 CarbonylContact C-O 3.45Å; N103-E129 VanDerWaalsContact CA-O 3.24Å; N103-E129 WeakPolarHBondContact CA-O 3.41Å; N103-E129 WeakPolarHBondContact ND2-CB 3.33Å; N103-E129 VanDerWaalsContact ND2-CD 3.34Å; N103-E129 PolarHBondContact ND2-OE2 3.36Å
104	K	98.8	Very high	97.6	Very high	107 Å²	107	52.2 Å²	52.2	47%	0.465	26%	0.259	S	S	.	.	S	Bend	trans	56.2	66.1	-179.5	-72.8	164.8	-176.6	172.8	0	112.3	N80 N81 E129 D130	N80-K104 CarbonylContact C-O 3.14Å; N80-K104 VanDerWaalsContact CA-O 3.25Å; N80-K104 WeakPolarHBondContact CA-O 3.36Å; N80-K104 PolarHBondContact N-O 3.39Å; N80-K104 WeakPolarHBondContact OD1-CB 3.07Å; N80-K104 WeakPolarHBondContact OD1-CD 3.24Å; N81-K104 PolarHBondContact N-O 3.44Å; K104-E129 PolarHBondContact N-O 3.29Å; K104-D130 WeakPolarHBondContact CA-O 3.31Å; K104-D130 HydrophobicContact CB-CB 4.29Å; K104-D130 WeakPolarHBondContact CE-OD2 3.13Å; K104-D130 HydrophobicContact CG-CB 3.41Å; K104-D130 VanDerWaalsContact CG-CB 3.41Å; K104-D130 PolarHBondContact N-O 2.97Å
105	N	98.9	Very high	97.6	Very high	11 Å²	11	52.6 Å²	52.6	6%	0.059	26%	0.263	C	S	.	.	S	Bend	trans	-133.7	-163.4	171	-83.9	-73.1	0	0	0	108.5	L78 N81 L82 I83 L102 N103 I107 D130 N131	L78-N105 PolarHBondContact O-ND2 3.48Å; N81-N105 WeakPolarHBondContact CA-OD1 3.42Å; N81-N105 WeakPolarHBondContact CB-OD1 3.27Å; N81-N105 PolarHBondContact O-OD1 2.8Å; L82-N105 PolarHBondContact N-OD1 2.76Å; I83-N105 HydrophobicContact CB-CB 4.26Å; I83-N105 VanDerWaalsContact CB-OD1 3.27Å; I83-N105 WeakPolarHBondContact CB-OD1 3.45Å; I83-N105 WeakPolarHBondContact CG1-OD1 3.48Å; I83-N105 PolarHBondContact N-OD1 2.63Å; L102-N105 PolarHBondContact O-ND2 3.37Å; N103-N105 PolarHBondContact O-ND2 2.89Å; N105-I107 HydrophobicContact CB-CD1 4.15Å; N105-I107 HydrophobicContact CB-CG1 4.08Å; N105-D130 PolarHBondContact N-O 3.24Å; N105-N131 WeakPolarHBondContact CA-OD1 3.16Å; N105-N131 WeakPolarHBondContact CB-OD1 3.29Å; N105-N131 PolarHBondContact O-OD1 2.99Å
106	K	98.7	Very high	97.9	Very high	81 Å²	81	48.6 Å²	48.6	35%	0.352	24%	0.239	S	C	.	.			trans	-122	29.9	-178.2	-65.7	-175.4	172.2	-170.7	0	112.2	I83 E84 T108 N131	I83-K106 CarbonylContact O-C 3.53Å; I83-K106 WeakPolarHBondContact O-CA 3.48Å; I83-K106 PolarHBondContact O-N 3.29Å; E84-K106 HydrophobicContact CG-CB 3.64Å; E84-K106 HydrophobicContact CG-CD 4.13Å; E84-K106 IonicContact OE1-NZ 3.96Å; K106-T108 PolarHBondContact O-N 2.87Å; K106-N131 PolarHBondContact N-OD1 2.77Å
107	I	98.8	Very high	98	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.223	C	C	.	.			trans	-72.8	122	-171.7	-56.4	167.4	0	0	0	108.6	I83 I86 L102 N105 I112 L128 N131 E132 L133	I83-I107 HydrophobicContact CG2-CG1 4.4Å; I83-I107 WeakPolarHBondContact O-CG1 3.28Å; I83-I107 PolarHBondContact O-N 2.94Å; I86-I107 HydrophobicContact CD1-CD1 4.09Å; I86-I107 HydrophobicContact CD1-CG2 4.16Å; I86-I107 HydrophobicContact CG1-CD1 4.08Å; I86-I107 HydrophobicContact CG1-CG2 4.1Å; L102-I107 HydrophobicContact CB-CD1 3.93Å; L102-I107 HydrophobicContact CD1-CD1 4.19Å; L102-I107 HydrophobicContact CD2-CD1 4.07Å; L102-I107 HydrophobicContact CG-CD1 4.29Å; N105-I107 HydrophobicContact CB-CD1 4.15Å; N105-I107 HydrophobicContact CB-CG1 4.08Å; I107-I112 HydrophobicContact CG2-CD1 3.92Å; I107-I112 HydrophobicContact CG2-CG1 3.7Å; I107-L128 HydrophobicContact CD1-CD2 3.93Å; I107-N131 HydrophobicContact CB-CB 4.44Å; I107-N131 VanDerWaalsContact CB-OD1 3.31Å; I107-N131 WeakPolarHBondContact CB-OD1 3.35Å; I107-N131 WeakPolarHBondContact CG1-OD1 3.14Å; I107-N131 PolarHBondContact N-OD1 3.37Å; I107-E132 CarbonylContact O-C 3.47Å; I107-E132 VanDerWaalsContact O-C 3.32Å; I107-E132 WeakPolarHBondContact O-CA 3.3Å; I107-E132 PolarHBondContact O-N 2.94Å; I107-L133 HydrophobicContact CG2-CD2 4.2Å; I107-L133 PolarHBondContact O-N 2.71Å
108	T	98.5	Very high	97.9	Very high	53 Å²	53	47 Å²	47	33%	0.325	24%	0.237	S	C	.	.			trans	-101.1	169.6	169.9	63.6	0	0	0	0	109.7	K106 G111 E132	K106-T108 PolarHBondContact O-N 2.87Å; T108-G111 PolarHBondContact O-N 3.28Å; T108-G111 PolarHBondContact OG1-N 3.22Å; T108-E132 HydrophobicContact CG2-CB 3.94Å
109	N	98.1	Very high	97.7	Very high	27 Å²	27	47.6 Å²	47.6	14%	0.144	24%	0.242	C	C	.	.	S	Bend	trans	-65.1	-39.7	176.5	-67.8	92.8	0	0	0	112.6	G111 I112 L133 E134 E135	N109-G111 PolarHBondContact O-N 3.03Å; N109-I112 PolarHBondContact O-N 3.33Å; N109-L133 WeakPolarHBondContact OD1-CA 3.32Å; N109-E134 PolarHBondContact OD1-N 2.77Å; N109-E135 HydrophobicContact CB-CG 4.21Å; N109-E135 VanDerWaalsContact CG-CG 3.48Å; N109-E135 WeakPolarHBondContact ND2-CG 3.4Å; N109-E135 PolarHBondContact ND2-O 3.3Å; N109-E135 PolarHBondContact OD1-N 3.11Å
110	D	97.6	Very high	97.6	Very high	164 Å²	164	44.7 Å²	44.7	88%	0.877	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-24.5	173.8	-65.5	-23.6	0	0	0	112.8	I112	D110-I112 VanDerWaalsContact C-N 3.28Å; D110-I112 PolarHBondContact O-N 3.29Å
111	G	97.7	Very high	97.4	Very high	10 Å²	10	53.1 Å²	53.1	10%	0.103	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-14.6	173.9	0	0	0	0	0	114.2	T85 I86 T108 N109	T85-G111 CarbonylContact C-O 3.46Å; T85-G111 WeakPolarHBondContact CA-O 3.46Å; T85-G111 WeakPolarHBondContact CB-O 3.39Å; I86-G111 PolarHBondContact N-O 3.46Å; T108-G111 PolarHBondContact O-N 3.28Å; T108-G111 PolarHBondContact OG1-N 3.22Å; N109-G111 PolarHBondContact O-N 3.03Å
112	I	98.3	Very high	97.3	Very high	25 Å²	25	57.8 Å²	57.8	13%	0.128	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-95.8	111.8	-178.5	-59.7	176	0	0	0	109.5	I86 I107 N109 D110 N114 V116 L117 L133 P137	I86-I112 HydrophobicContact CB-CG1 4.37Å; I86-I112 HydrophobicContact CD1-CD1 4.2Å; I86-I112 HydrophobicContact CD1-CG1 3.96Å; I86-I112 HydrophobicContact CG1-CG1 4.16Å; I107-I112 HydrophobicContact CG2-CD1 3.92Å; I107-I112 HydrophobicContact CG2-CG1 3.7Å; N109-I112 PolarHBondContact O-N 3.33Å; D110-I112 VanDerWaalsContact C-N 3.28Å; D110-I112 PolarHBondContact O-N 3.29Å; I112-N114 PolarHBondContact O-N 3.06Å; I112-V116 HydrophobicContact CG2-CG1 3.86Å; I112-L117 HydrophobicContact CG2-CD1 4.21Å; I112-L117 HydrophobicContact CG2-CG 4.3Å; I112-L133 HydrophobicContact CD1-CD2 3.81Å; I112-P137 HydrophobicContact CD1-CB 3.74Å; I112-P137 HydrophobicContact CD1-CG 4.38Å
113	E	98.1	Very high	97.3	Very high	89 Å²	89	57.7 Å²	57.7	42%	0.416	28%	0.284	S	S	.	.			trans	-62.8	131.6	178.3	-172	-179.9	161.5	0	0	111.2	I86 S87 E88 G115 V116	I86-E113 WeakPolarHBondContact O-CB 3.3Å; I86-E113 PolarHBondContact O-N 2.9Å; S87-E113 VanDerWaalsContact CA-OE2 3.22Å; S87-E113 WeakPolarHBondContact CA-OE2 3.48Å; S87-E113 WeakPolarHBondContact CB-OE2 3.08Å; E88-E113 PolarHBondContact N-OE2 3.04Å; E113-G115 PolarHBondContact O-N 3.02Å; E113-G115 VanDerWaalsContact O-N 3.14Å; E113-V116 HydrophobicContact CB-CB 4.36Å; E113-V116 HydrophobicContact CB-CG1 4.49Å; E113-V116 WeakPolarHBondContact O-CB 3.35Å; E113-V116 WeakPolarHBondContact O-CG1 3.46Å; E113-V116 PolarHBondContact O-N 3.03Å
114	N	95.7	Very high	97.3	Very high	139 Å²	139	58.3 Å²	58.3	74%	0.743	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	121.1	-170.8	-177.4	15.1	0	0	0	112.4	I112 V116	I112-N114 PolarHBondContact O-N 3.06Å; N114-V116 VanDerWaalsContact C-N 3.3Å; N114-V116 PolarHBondContact O-N 3.3Å
115	G	94.5	Very high	97.3	Very high	10 Å²	10	55.8 Å²	55.8	10%	0.103	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	-4.5	177.4	0	0	0	0	0	115.8	E113 L117 S118 K119	E113-G115 PolarHBondContact O-N 3.02Å; E113-G115 VanDerWaalsContact O-N 3.14Å; G115-L117 VanDerWaalsContact C-N 3.3Å; G115-L117 PolarHBondContact O-N 3.49Å; G115-S118 PolarHBondContact O-N 3.48Å; G115-S118 VanDerWaalsContact O-N 3.11Å; G115-S118 PolarHBondContact O-OG 2.85Å; G115-K119 PolarHBondContact O-N 2.86Å
116	V	97.1	Very high	97.3	Very high	3 Å²	3	55.3 Å²	55.3	2%	0.018	27%	0.272	C	S	.	.	H	α-helix	trans	-53.2	-45.6	-178	69.2	0	0	0	0	112.6	I86 E88 F91 I112 E113 N114 S118 K119	I86-V116 HydrophobicContact CB-CG1 4.36Å; I86-V116 HydrophobicContact CG2-CG1 3.77Å; I86-V116 HydrophobicContact CG2-CG2 4.33Å; E88-V116 HydrophobicContact CB-CG2 4.39Å; F91-V116 HydrophobicContact CD2-CG2 4.05Å; I112-V116 HydrophobicContact CG2-CG1 3.86Å; E113-V116 HydrophobicContact CB-CB 4.36Å; E113-V116 HydrophobicContact CB-CG1 4.49Å; E113-V116 WeakPolarHBondContact O-CB 3.35Å; E113-V116 WeakPolarHBondContact O-CG1 3.46Å; E113-V116 PolarHBondContact O-N 3.03Å; N114-V116 VanDerWaalsContact C-N 3.3Å; N114-V116 PolarHBondContact O-N 3.3Å; V116-S118 PolarHBondContact O-N 3.39Å; V116-K119 WeakPolarHBondContact O-CB 3.22Å; V116-K119 PolarHBondContact O-N 3.35Å
117	L	96.8	Very high	97.4	Very high	5 Å²	5	52 Å²	52	3%	0.026	26%	0.258	C	S	.	.	H	α-helix	trans	-65.2	-41.6	-178.8	-61.1	178.1	0	0	0	111.3	I86 I112 G115 K119 L120 L126 P137 L140 P141	I86-L117 HydrophobicContact CD1-CD2 4.25Å; I86-L117 HydrophobicContact CG2-CD2 4.3Å; I112-L117 HydrophobicContact CG2-CD1 4.21Å; I112-L117 HydrophobicContact CG2-CG 4.3Å; G115-L117 VanDerWaalsContact C-N 3.3Å; G115-L117 PolarHBondContact O-N 3.49Å; L117-K119 PolarHBondContact O-N 3.08Å; L117-L120 HydrophobicContact CD2-CD1 4.47Å; L117-L120 VanDerWaalsContact O-CB 3.3Å; L117-L120 WeakPolarHBondContact O-CB 3.48Å; L117-L120 PolarHBondContact O-N 3.26Å; L117-L120 VanDerWaalsContact O-N 3.08Å; L117-L126 HydrophobicContact CD1-CD2 4.25Å; L117-L126 HydrophobicContact CD2-CD2 4.44Å; L117-P137 HydrophobicContact CD1-CB 4.12Å; L117-P137 HydrophobicContact CD1-CG 4.27Å; L117-L140 HydrophobicContact CD1-CD2 4.46Å; L117-P141 WeakPolarHBondContact O-CB 3.48Å; L117-P141 WeakPolarHBondContact O-CD 3.34Å; L117-P141 VanDerWaalsContact O-CG 3.27Å; L117-P141 WeakPolarHBondContact O-CG 3.24Å
118	S	95.6	Very high	97.4	Very high	42 Å²	42	52 Å²	52	29%	0.294	26%	0.258	S	S	.	.	H	α-helix	trans	-64.5	-22.9	178.3	75.1	0	0	0	0	114.8	G115 V116 L120 P139	G115-S118 PolarHBondContact O-N 3.48Å; G115-S118 VanDerWaalsContact O-N 3.11Å; G115-S118 PolarHBondContact O-OG 2.85Å; V116-S118 PolarHBondContact O-N 3.39Å; S118-L120 PolarHBondContact O-N 3.47Å; S118-P139 PolarHBondContact N-O 3.35Å
119	K	95.1	Very high	97.4	Very high	106 Å²	106	50.1 Å²	50.1	46%	0.461	25%	0.245	S	C	.	.	H	α-helix	trans	-68.8	-21.8	174.7	-67.3	176.3	179.5	-177.2	0	111.7	E88 G115 V116 L117 K121	E88-K119 WeakPolarHBondContact OE1-CD 3.19Å; E88-K119 IonicContact OE1-NZ 2.71Å; E88-K119 PolarHBondContact OE1-NZ 3.4Å; E88-K119 IonicContact OE2-NZ 3.1Å; E88-K119 PolarHBondContact OE2-NZ 3.46Å; G115-K119 PolarHBondContact O-N 2.86Å; V116-K119 WeakPolarHBondContact O-CB 3.22Å; V116-K119 PolarHBondContact O-N 3.35Å; L117-K119 PolarHBondContact O-N 3.08Å; K119-K121 PolarHBondContact O-N 2.99Å
120	L	96.3	Very high	97.4	Very high	12 Å²	12	50.8 Å²	50.8	6%	0.063	25%	0.249	C	C	.	.			trans	-79.1	63.1	179.2	-55.2	172.1	0	0	0	111.6	F91 L97 I100 L117 S118 R122 L123 P141	F91-L120 HydrophobicContact CB-CD2 4.13Å; F91-L120 HydrophobicContact CD1-CD2 4.12Å; F91-L120 HydrophobicContact CG-CD2 4.27Å; L97-L120 HydrophobicContact CD1-CD2 4.3Å; I100-L120 HydrophobicContact CD1-CD1 3.56Å; L117-L120 HydrophobicContact CD2-CD1 4.47Å; L117-L120 VanDerWaalsContact O-CB 3.3Å; L117-L120 WeakPolarHBondContact O-CB 3.48Å; L117-L120 PolarHBondContact O-N 3.26Å; L117-L120 VanDerWaalsContact O-N 3.08Å; S118-L120 PolarHBondContact O-N 3.47Å; L120-R122 PolarHBondContact O-N 3.31Å; L120-L123 HydrophobicContact CB-CB 3.97Å; L120-L123 HydrophobicContact CB-CD2 4.42Å; L120-L123 HydrophobicContact CD1-CD2 4.11Å; L120-L123 VanDerWaalsContact O-CB 3.28Å; L120-L123 WeakPolarHBondContact O-CB 3.46Å; L120-L123 PolarHBondContact O-N 3.43Å; L120-P141 WeakPolarHBondContact O-CB 3.25Å
121	K	94.8	Very high	97.5	Very high	178 Å²	178	43.4 Å²	43.4	77%	0.774	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-14.4	-170.7	-65.6	175.9	-176.1	177	0	116.3	K119	K119-K121 PolarHBondContact O-N 2.99Å
122	R	97.5	Very high	97.5	Very high	126 Å²	126	46.3 Å²	46.3	48%	0.475	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	3.2	178.6	-72.4	-175	172.9	143.9	-11.7	113.8	T95 L97 L120 L124	T95-R122 WeakPolarHBondContact O-CD 3.18Å; T95-R122 PolarHBondContact O-NH1 2.75Å; L97-R122 CarbonylContact O-C 3.35Å; L120-R122 PolarHBondContact O-N 3.31Å; R122-L124 PolarHBondContact O-N 3.15Å
123	L	98.4	Very high	97.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.214	C	C	.	.			trans	-68.8	124.7	179.7	-167.7	68.7	0	0	0	109.9	L97 I100 L120 L126 P141 G143 L144	L97-L123 PolarHBondContact O-N 2.87Å; I100-L123 HydrophobicContact CB-CD1 4.13Å; I100-L123 HydrophobicContact CD1-CD1 3.63Å; I100-L123 HydrophobicContact CD1-CD2 4.14Å; I100-L123 HydrophobicContact CG1-CD1 3.6Å; L120-L123 HydrophobicContact CB-CB 3.97Å; L120-L123 HydrophobicContact CB-CD2 4.42Å; L120-L123 HydrophobicContact CD1-CD2 4.11Å; L120-L123 VanDerWaalsContact O-CB 3.28Å; L120-L123 WeakPolarHBondContact O-CB 3.46Å; L120-L123 PolarHBondContact O-N 3.43Å; L123-L126 HydrophobicContact CD2-CB 4.04Å; L123-L126 HydrophobicContact CD2-CD1 4.3Å; L123-L126 HydrophobicContact CD2-CD2 4.29Å; L123-L126 HydrophobicContact CD2-CG 4.44Å; L123-P141 HydrophobicContact CB-CB 4.33Å; L123-P141 HydrophobicContact CB-CG 4.05Å; L123-P141 HydrophobicContact CD2-CG 3.78Å; L123-P141 HydrophobicContact CG-CG 4.44Å; L123-G143 CarbonylContact O-C 3.45Å; L123-G143 VanDerWaalsContact O-C 3.22Å; L123-L144 HydrophobicContact CB-CD2 4.49Å; L123-L144 HydrophobicContact CD2-CD2 4.12Å; L123-L144 HydrophobicContact CG-CD2 3.99Å; L123-L144 PolarHBondContact O-N 3.05Å
124	L	98.8	Very high	97.6	Very high	36 Å²	36	46.5 Å²	46.5	19%	0.188	22%	0.22	C	C	.	.			trans	-109.4	-35.3	179.7	-53.4	179.3	0	0	0	110.8	R98 R122 G143 E145 Q146	R98-L124 HydrophobicContact CB-CD1 4.48Å; R98-L124 HydrophobicContact CB-CG 4.47Å; R98-L124 PolarHBondContact O-N 2.92Å; R122-L124 PolarHBondContact O-N 3.15Å; L124-G143 VanDerWaalsContact CD2-O 3.25Å; L124-G143 WeakPolarHBondContact CD2-O 3.49Å; L124-E145 HydrophobicContact CB-CB 4.47Å; L124-E145 HydrophobicContact CB-CG 4.22Å; L124-E145 HydrophobicContact CD2-CG 4.29Å; L124-E145 PolarHBondContact O-N 3.44Å; L124-Q146 PolarHBondContact O-N 3.07Å
125	Y	98.9	Very high	97.7	Very high	54 Å²	54	42 Å²	42	21%	0.212	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	120	-176.1	-55.4	-98.6	0	0	0	110.8	R98 W99 I100 F127 E145 Q146	R98-Y125 PolarHBondContact O-N 3.02Å; W99-Y125 WeakPolarHBondContact CA-O 3.24Å; W99-Y125 HydrophobicContact CD2-CG 4.25Å; W99-Y125 AromaticContact CE3-CD1 3.95Å; W99-Y125 HydrophobicContact CE3-CD1 3.95Å; W99-Y125 AromaticContact CE3-CD2 3.62Å; W99-Y125 HydrophobicContact CE3-CD2 3.62Å; W99-Y125 HydrophobicContact CE3-CE2 4.4Å; W99-Y125 AromaticContact CE3-CG 3.44Å; W99-Y125 HydrophobicContact CE3-CG 3.44Å; W99-Y125 VanDerWaalsContact CE3-CG 3.44Å; W99-Y125 AromaticContact CZ3-CD1 3.72Å; W99-Y125 HydrophobicContact CZ3-CD1 3.72Å; W99-Y125 HydrophobicContact CZ3-CD2 4.13Å; W99-Y125 HydrophobicContact CZ3-CE1 4.19Å; W99-Y125 AromaticContact CZ3-CG 3.73Å; W99-Y125 HydrophobicContact CZ3-CG 3.73Å; I100-Y125 PolarHBondContact N-O 3.44Å; Y125-F127 HydrophobicContact CD1-CZ 4.32Å; Y125-E145 WeakPolarHBondContact CE2-OE2 3.39Å; Y125-E145 VanDerWaalsContact CZ-OE2 3.23Å; Y125-E145 PolarHBondContact OH-OE2 3.28Å; Y125-Q146 HydrophobicContact CD1-CB 3.84Å; Y125-Q146 HydrophobicContact CD1-CG 3.77Å; Y125-Q146 HydrophobicContact CE1-CB 4.26Å; Y125-Q146 HydrophobicContact CE1-CG 3.67Å
126	L	98.9	Very high	97.9	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	116	176.7	179.8	56.7	0	0	0	110.6	I100 L117 L123 L128 L140 L144 Q146 L147 R148	I100-L126 HydrophobicContact CB-CD1 4.29Å; I100-L126 HydrophobicContact CG2-CD1 4.35Å; L117-L126 HydrophobicContact CD1-CD2 4.25Å; L117-L126 HydrophobicContact CD2-CD2 4.44Å; L123-L126 HydrophobicContact CD2-CB 4.04Å; L123-L126 HydrophobicContact CD2-CD1 4.3Å; L123-L126 HydrophobicContact CD2-CD2 4.29Å; L123-L126 HydrophobicContact CD2-CG 4.44Å; L126-L128 HydrophobicContact CD1-CD1 4.07Å; L126-L128 HydrophobicContact CD1-CG 4.03Å; L126-L128 HydrophobicContact CD2-CD1 3.86Å; L126-L128 HydrophobicContact CG-CD1 3.87Å; L126-L128 HydrophobicContact CG-CG 4.14Å; L126-L140 HydrophobicContact CD2-CD2 4.48Å; L126-L144 HydrophobicContact CB-CD2 3.84Å; L126-Q146 PolarHBondContact N-O 2.82Å; L126-Q146 VanDerWaalsContact N-O 3.11Å; L126-L147 HydrophobicContact CB-CD1 4.18Å; L126-L147 HydrophobicContact CD2-CD1 4.02Å; L126-L147 HydrophobicContact CG-CD1 4.15Å; L126-R148 PolarHBondContact O-N 3.28Å
127	F	98.9	Very high	97.9	Very high	13 Å²	13	41.6 Å²	41.6	6%	0.057	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	113.7	179.4	-52.4	-93	0	0	0	109.3	W99 I100 N101 L102 N103 Y125 E129 R148	W99-F127 AromaticContact CD2-CE2 3.68Å; W99-F127 HydrophobicContact CD2-CE2 3.68Å; W99-F127 HydrophobicContact CD2-CZ 4.31Å; W99-F127 AromaticContact CE2-CE2 3.22Å; W99-F127 AromaticContact CE2-CZ 3.75Å; W99-F127 HydrophobicContact CE3-CE2 4.19Å; W99-F127 HydrophobicContact CE3-CZ 4.45Å; W99-F127 HydrophobicContact CG-CE2 4.21Å; W99-F127 AromaticContact CH2-CE2 3.92Å; W99-F127 HydrophobicContact CH2-CE2 3.92Å; W99-F127 AromaticContact CH2-CZ 3.55Å; W99-F127 HydrophobicContact CH2-CZ 3.55Å; W99-F127 HydrophobicContact CZ2-CD2 4.38Å; W99-F127 HydrophobicContact CZ2-CE1 4.36Å; W99-F127 AromaticContact CZ2-CE2 3.37Å; W99-F127 HydrophobicContact CZ2-CE2 3.37Å; W99-F127 AromaticContact CZ2-CZ 3.36Å; W99-F127 HydrophobicContact CZ2-CZ 3.36Å; W99-F127 HydrophobicContact CZ3-CE2 4.29Å; W99-F127 HydrophobicContact CZ3-CZ 4.1Å; W99-F127 AromaticContact NE1-CD2 3.89Å; W99-F127 AromaticContact NE1-CE2 3.48Å; I100-F127 WeakPolarHBondContact O-CD2 3.33Å; I100-F127 PolarHBondContact O-N 2.91Å; N101-F127 HydrophobicContact CB-CB 4.44Å; N101-F127 HydrophobicContact CB-CD2 4.27Å; N101-F127 WeakPolarHBondContact OD1-CB 3.25Å; L102-F127 CarbonylContact C-O 3.45Å; L102-F127 WeakPolarHBondContact CA-O 3.26Å; L102-F127 WeakPolarHBondContact CB-O 3.16Å; L102-F127 PolarHBondContact N-O 2.86Å; N103-F127 PolarHBondContact N-O 3.38Å; Y125-F127 HydrophobicContact CD1-CZ 4.32Å; F127-E129 WeakPolarHBondContact CB-OE2 3.14Å; F127-R148 HydrophobicContact CD1-CB 4.34Å; F127-R148 HydrophobicContact CD1-CG 4.16Å; F127-R148 HydrophobicContact CE1-CG 4.35Å
128	L	98.8	Very high	97.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.21	C	C	.	.			trans	-130	22.1	-179.2	-76.9	167.6	0	0	0	110.6	I86 L102 I107 L126 N131 L133 P137 R148 L149 N152	I86-L128 HydrophobicContact CD1-CD2 4.3Å; L102-L128 HydrophobicContact CB-CD2 3.79Å; L102-L128 HydrophobicContact CD1-CD2 4.05Å; I107-L128 HydrophobicContact CD1-CD2 3.93Å; L126-L128 HydrophobicContact CD1-CD1 4.07Å; L126-L128 HydrophobicContact CD1-CG 4.03Å; L126-L128 HydrophobicContact CD2-CD1 3.86Å; L126-L128 HydrophobicContact CG-CD1 3.87Å; L126-L128 HydrophobicContact CG-CG 4.14Å; L128-N131 PolarHBondContact O-ND2 3.14Å; L128-L133 HydrophobicContact CB-CD1 4.21Å; L128-L133 HydrophobicContact CD1-CD1 4.37Å; L128-P137 HydrophobicContact CD1-CG 4.27Å; L128-R148 CarbonylContact C-O 3.53Å; L128-R148 WeakPolarHBondContact CA-O 3.45Å; L128-R148 PolarHBondContact N-O 3.02Å; L128-L149 HydrophobicContact CB-CD2 3.85Å; L128-L149 HydrophobicContact CD1-CD2 4.1Å; L128-N152 PolarHBondContact O-ND2 2.62Å
129	E	98.8	Very high	97.9	Very high	12 Å²	12	44.6 Å²	44.6	6%	0.056	21%	0.214	C	C	.	.			trans	-67.4	158.7	177.2	-40.4	96.2	133.7	0	0	111.6	N103 K104 F127 N131 R148 A150	N103-E129 CarbonylContact C-O 3.45Å; N103-E129 VanDerWaalsContact CA-O 3.24Å; N103-E129 WeakPolarHBondContact CA-O 3.41Å; N103-E129 WeakPolarHBondContact ND2-CB 3.33Å; N103-E129 VanDerWaalsContact ND2-CD 3.34Å; N103-E129 PolarHBondContact ND2-OE2 3.36Å; K104-E129 PolarHBondContact N-O 3.29Å; F127-E129 WeakPolarHBondContact CB-OE2 3.14Å; E129-N131 PolarHBondContact O-N 3.36Å; E129-N131 PolarHBondContact O-ND2 2.99Å; E129-N131 VanDerWaalsContact O-ND2 3.08Å; E129-R148 VanDerWaalsContact CD-CB 3.44Å; E129-R148 HydrophobicContact CG-CB 3.68Å; E129-R148 PolarHBondContact N-O 2.72Å; E129-R148 WeakPolarHBondContact OE1-CB 3.39Å; E129-R148 WeakPolarHBondContact OE1-CD 3.17Å; E129-A150 CarbonylContact C-O 3.58Å; E129-A150 WeakPolarHBondContact CA-O 3.28Å; E129-A150 HydrophobicContact CB-CB 4.35Å; E129-A150 WeakPolarHBondContact CB-O 3.3Å; E129-A150 HydrophobicContact CG-CB 4.04Å
130	D	98.8	Very high	98.1	Very high	42 Å²	42	40 Å²	40	23%	0.225	19%	0.194	C	C	.	.	S	Bend	trans	53.7	54.1	-179.4	-58.8	-69.2	0	0	0	112.2	K104 N105 A150 R151	K104-D130 WeakPolarHBondContact CA-O 3.31Å; K104-D130 HydrophobicContact CB-CB 4.29Å; K104-D130 WeakPolarHBondContact CE-OD2 3.13Å; K104-D130 HydrophobicContact CG-CB 3.41Å; K104-D130 VanDerWaalsContact CG-CB 3.41Å; K104-D130 PolarHBondContact N-O 2.97Å; N105-D130 PolarHBondContact N-O 3.24Å; D130-A150 PolarHBondContact N-O 2.71Å; D130-R151 VanDerWaalsContact CA-O 3.26Å; D130-R151 WeakPolarHBondContact CA-O 3.06Å; D130-R151 PolarHBondContact N-O 3.28Å; D130-R151 WeakPolarHBondContact OD1-CB 3.46Å; D130-R151 VanDerWaalsContact OD1-CD 3.28Å; D130-R151 WeakPolarHBondContact OD1-CD 3.46Å; D130-R151 IonicContact OD1-CZ 3.4Å; D130-R151 IonicContact OD1-NE 3.33Å; D130-R151 PolarHBondContact OD1-NE 3.18Å; D130-R151 IonicContact OD1-NH2 3.43Å; D130-R151 IonicContact OD2-CZ 3.4Å; D130-R151 VanDerWaalsContact OD2-CZ 3.28Å; D130-R151 IonicContact OD2-NE 3.39Å; D130-R151 PolarHBondContact OD2-NE 3.06Å; D130-R151 IonicContact OD2-NH2 3.61Å; D130-R151 PolarHBondContact OD2-NH2 3.41Å
131	N	98.9	Very high	98.1	Very high	9 Å²	9	39.5 Å²	39.5	5%	0.048	19%	0.192	C	C	.	.	S	Bend	trans	-128.7	-169.4	174.5	-86	-86.6	0	0	0	109.5	L102 N105 K106 I107 L128 E129 L133 N152	L102-N131 PolarHBondContact O-ND2 2.9Å; N105-N131 WeakPolarHBondContact CA-OD1 3.16Å; N105-N131 WeakPolarHBondContact CB-OD1 3.29Å; N105-N131 PolarHBondContact O-OD1 2.99Å; K106-N131 PolarHBondContact N-OD1 2.77Å; I107-N131 HydrophobicContact CB-CB 4.44Å; I107-N131 VanDerWaalsContact CB-OD1 3.31Å; I107-N131 WeakPolarHBondContact CB-OD1 3.35Å; I107-N131 WeakPolarHBondContact CG1-OD1 3.14Å; I107-N131 PolarHBondContact N-OD1 3.37Å; L128-N131 PolarHBondContact O-ND2 3.14Å; E129-N131 PolarHBondContact O-N 3.36Å; E129-N131 PolarHBondContact O-ND2 2.99Å; E129-N131 VanDerWaalsContact O-ND2 3.08Å; N131-L133 HydrophobicContact CB-CG 4.46Å; N131-N152 VanDerWaalsContact CA-OD1 3.3Å; N131-N152 WeakPolarHBondContact CA-OD1 3.03Å; N131-N152 WeakPolarHBondContact CB-OD1 3.35Å; N131-N152 PolarHBondContact N-OD1 3.47Å; N131-N152 PolarHBondContact O-OD1 2.6Å
132	E	98.7	Very high	98.1	Very high	70 Å²	70	39.4 Å²	39.4	33%	0.327	19%	0.186	S	C	.	.			trans	-112.4	29.1	-175.3	-59.3	-158.9	-134.6	0	0	112.7	I107 T108 N152 K153	I107-E132 CarbonylContact O-C 3.47Å; I107-E132 VanDerWaalsContact O-C 3.32Å; I107-E132 WeakPolarHBondContact O-CA 3.3Å; I107-E132 PolarHBondContact O-N 2.94Å; T108-E132 HydrophobicContact CG2-CB 3.94Å; E132-N152 PolarHBondContact N-OD1 3.46Å; E132-K153 IonicContact OE2-NZ 3.12Å; E132-K153 PolarHBondContact OE2-NZ 2.92Å
133	L	98.8	Very high	98.1	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.171	C	C	.	.			trans	-70.1	128.1	179.5	-57.2	172.6	0	0	0	111.4	I107 N109 I112 L128 N131 L149 N152 K153 I154	I107-L133 HydrophobicContact CG2-CD2 4.2Å; I107-L133 PolarHBondContact O-N 2.71Å; N109-L133 WeakPolarHBondContact OD1-CA 3.32Å; I112-L133 HydrophobicContact CD1-CD2 3.81Å; L128-L133 HydrophobicContact CB-CD1 4.21Å; L128-L133 HydrophobicContact CD1-CD1 4.37Å; N131-L133 HydrophobicContact CB-CG 4.46Å; L133-L149 HydrophobicContact CD1-CD2 3.63Å; L133-N152 HydrophobicContact CB-CB 4.14Å; L133-N152 VanDerWaalsContact CB-OD1 3.32Å; L133-N152 WeakPolarHBondContact CB-OD1 3.19Å; L133-N152 WeakPolarHBondContact CG-OD1 3.43Å; L133-N152 PolarHBondContact N-OD1 3.22Å; L133-K153 CarbonylContact O-C 3.2Å; L133-K153 VanDerWaalsContact O-CA 3.25Å; L133-K153 WeakPolarHBondContact O-CA 3.44Å; L133-K153 WeakPolarHBondContact O-CB 3.47Å; L133-K153 PolarHBondContact O-N 2.97Å; L133-I154 HydrophobicContact CB-CD1 4.42Å; L133-I154 HydrophobicContact CB-CG1 4.11Å; L133-I154 WeakPolarHBondContact O-CG1 3.34Å; L133-I154 PolarHBondContact O-N 3.39Å; L133-I154 VanDerWaalsContact O-N 3.08Å
134	E	98.6	Very high	98.1	Very high	118 Å²	118	34 Å²	34	55%	0.551	17%	0.171	S	C	*	.	S	Bend	trans	-98.5	-15.3	176.4	-59	-169.5	172.6	0	0	112.4	N109 K153 I154 S155 R156	N109-E134 PolarHBondContact OD1-N 2.77Å; E134-K153 HydrophobicContact CG-CB 4.21Å; E134-I154 CarbonylContact O-C 3.37Å; E134-I154 WeakPolarHBondContact O-CA 3.37Å; E134-S155 PolarHBondContact O-N 3.02Å; E134-S155 PolarHBondContact O-OG 3.03Å; E134-R156 PolarHBondContact O-N 3.04Å
135	E	98.6	Very high	98.1	Very high	45 Å²	45	35.1 Å²	35.1	21%	0.21	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-140.4	162	169.6	69.3	178.2	158.2	0	0	113.2	N109 R156 P158	N109-E135 HydrophobicContact CB-CG 4.21Å; N109-E135 VanDerWaalsContact CG-CG 3.48Å; N109-E135 WeakPolarHBondContact ND2-CG 3.4Å; N109-E135 PolarHBondContact ND2-O 3.3Å; N109-E135 PolarHBondContact OD1-N 3.11Å; E135-R156 VanDerWaalsContact CA-O 3.23Å; E135-R156 WeakPolarHBondContact CA-O 3.13Å; E135-R156 HydrophobicContact CB-CB 3.96Å; E135-R156 WeakPolarHBondContact CB-O 3.4Å; E135-R156 IonicContact OE1-NH2 3.96Å; E135-R156 PolarHBondContact OE1-NH2 2.9Å; E135-R156 VanDerWaalsContact OE1-NH2 3.11Å; E135-R156 IonicContact OE2-CZ 2.89Å; E135-R156 IonicContact OE2-NE 3.08Å; E135-R156 PolarHBondContact OE2-NE 3.38Å; E135-R156 IonicContact OE2-NH2 3.66Å; E135-R156 PolarHBondContact OE2-NH2 3.08Å; E135-P158 WeakPolarHBondContact OE2-CG 3.46Å
136	V	98.6	Very high	98.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.172	C	C	.	.			trans	-62.8	123.1	169.9	177.2	0	0	0	0	109	L140 L149 I154 R156 I157 P158 V161 F162 L173	V136-L140 HydrophobicContact CG1-CD1 4.34Å; V136-L149 HydrophobicContact CG1-CD1 4.04Å; V136-L149 HydrophobicContact CG2-CD1 4.18Å; V136-I154 HydrophobicContact CG2-CD1 4.38Å; V136-I154 HydrophobicContact CG2-CG2 4.05Å; V136-R156 PolarHBondContact N-O 2.85Å; V136-R156 VanDerWaalsContact N-O 3.14Å; V136-I157 HydrophobicContact CB-CG2 4.47Å; V136-I157 HydrophobicContact CG2-CB 4.36Å; V136-I157 HydrophobicContact CG2-CG1 3.91Å; V136-I157 HydrophobicContact CG2-CG2 4.17Å; V136-P158 WeakPolarHBondContact O-CD 3.44Å; V136-P158 WeakPolarHBondContact O-CG 3.34Å; V136-V161 HydrophobicContact CG1-CG1 4.15Å; V136-V161 HydrophobicContact CG1-CG2 3.96Å; V136-F162 HydrophobicContact CG1-CE1 3.81Å; V136-F162 HydrophobicContact CG1-CZ 3.87Å; V136-F162 HydrophobicContact CG2-CZ 4.25Å; V136-L173 HydrophobicContact CG2-CD2 4.08Å
137	P	97.9	Very high	98.1	Very high	4 Å²	4	34.1 Å²	34.1	3%	0.026	17%	0.172	C	C	.	.			trans	-66.9	140.6	-176.5	26.5	-33.8	0	0	0	111.4	I112 L117 L128 L140 L149	I112-P137 HydrophobicContact CD1-CB 3.74Å; I112-P137 HydrophobicContact CD1-CG 4.38Å; L117-P137 HydrophobicContact CD1-CB 4.12Å; L117-P137 HydrophobicContact CD1-CG 4.27Å; L128-P137 HydrophobicContact CD1-CG 4.27Å; P137-L140 HydrophobicContact CG-CD2 4.34Å; P137-L140 WeakPolarHBondContact O-CD2 3.44Å; P137-L140 VanDerWaalsContact O-CG 3.29Å; P137-L140 WeakPolarHBondContact O-CG 3.42Å; P137-L149 HydrophobicContact CG-CD2 4.37Å
138	A	95.9	Very high	98.1	Very high	52 Å²	52	37 Å²	37	43%	0.43	18%	0.183	S	C	.	.	S	Bend	trans	-138	150	-177.3	0	0	0	0	0	111.2	P158 V161	A138-P158 HydrophobicContact CB-CG 4.41Å; A138-V161 HydrophobicContact CB-CB 4.48Å; A138-V161 HydrophobicContact CB-CG2 3.68Å
139	P	96.9	Very high	98.1	Very high	58 Å²	58	37 Å²	37	38%	0.377	18%	0.183	S	C	.	.	S	Bend	cis	-77.5	148.2	-11.9	31.3	-35.1	0	0	0	113.1	S118	S118-P139 PolarHBondContact N-O 3.35Å
140	L	97.8	Very high	98.1	Very high	11 Å²	11	36.5 Å²	36.5	6%	0.058	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-90.1	153.6	178.8	-69.2	168.3	0	0	0	112.7	L117 L126 V136 P137 R142 L144 L147 V161 F162 L165	L117-L140 HydrophobicContact CD1-CD2 4.46Å; L126-L140 HydrophobicContact CD2-CD2 4.48Å; V136-L140 HydrophobicContact CG1-CD1 4.34Å; P137-L140 HydrophobicContact CG-CD2 4.34Å; P137-L140 WeakPolarHBondContact O-CD2 3.44Å; P137-L140 VanDerWaalsContact O-CG 3.29Å; P137-L140 WeakPolarHBondContact O-CG 3.42Å; L140-R142 PolarHBondContact O-N 2.93Å; L140-L144 HydrophobicContact CB-CD1 4.26Å; L140-L144 HydrophobicContact CD2-CD1 4.3Å; L140-L147 HydrophobicContact CD1-CD2 3.63Å; L140-L147 HydrophobicContact CD2-CD2 4.38Å; L140-V161 HydrophobicContact CD1-CG2 3.97Å; L140-V161 HydrophobicContact CG-CG2 4.34Å; L140-F162 HydrophobicContact CD1-CD1 4.17Å; L140-F162 HydrophobicContact CD1-CE1 4.02Å; L140-L165 HydrophobicContact CB-CD1 4.17Å; L140-L165 HydrophobicContact CB-CD2 4.14Å; L140-L165 HydrophobicContact CD1-CD1 3.72Å
141	P	96.5	Very high	98.1	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.006	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-69.3	126.8	172.9	19.2	-21.6	0	0	0	111.6	L117 L120 L123 G143 L144 L165	L117-P141 WeakPolarHBondContact O-CB 3.48Å; L117-P141 WeakPolarHBondContact O-CD 3.34Å; L117-P141 VanDerWaalsContact O-CG 3.27Å; L117-P141 WeakPolarHBondContact O-CG 3.24Å; L120-P141 WeakPolarHBondContact O-CB 3.25Å; L123-P141 HydrophobicContact CB-CB 4.33Å; L123-P141 HydrophobicContact CB-CG 4.05Å; L123-P141 HydrophobicContact CD2-CG 3.78Å; L123-P141 HydrophobicContact CG-CG 4.44Å; P141-G143 PolarHBondContact O-N 3.24Å; P141-G143 VanDerWaalsContact O-N 3.09Å; P141-L144 HydrophobicContact CG-CD1 3.97Å; P141-L144 HydrophobicContact CG-CD2 4.33Å; P141-L144 HydrophobicContact CG-CG 3.92Å; P141-L144 WeakPolarHBondContact O-CG 3.39Å; P141-L144 PolarHBondContact O-N 2.85Å; P141-L165 WeakPolarHBondContact O-CD2 3.23Å
142	R	96.3	Very high	98.1	Very high	175 Å²	175	38.6 Å²	38.6	66%	0.66	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-18.7	-175	-60.7	-176.6	-175.1	178.7	-1.8	115.1	L140 L144 N164	L140-R142 PolarHBondContact O-N 2.93Å; R142-L144 VanDerWaalsContact C-N 3.32Å; R142-N164 HydrophobicContact CG-CB 4.09Å
143	G	97	Very high	98.2	Very high	14 Å²	14	39 Å²	39	14%	0.144	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-6.1	-179.6	0	0	0	0	0	115	L123 L124 P141 E145	L123-G143 CarbonylContact O-C 3.45Å; L123-G143 VanDerWaalsContact O-C 3.22Å; L124-G143 VanDerWaalsContact CD2-O 3.25Å; L124-G143 WeakPolarHBondContact CD2-O 3.49Å; P141-G143 PolarHBondContact O-N 3.24Å; P141-G143 VanDerWaalsContact O-N 3.09Å; G143-E145 PolarHBondContact O-N 3.18Å
144	L	98.5	Very high	98.2	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.185	C	C	.	.			trans	-58.8	130.9	-172.9	-75.9	172.8	0	0	0	113	L123 L126 L140 P141 R142 N167 L168	L123-L144 HydrophobicContact CB-CD2 4.49Å; L123-L144 HydrophobicContact CD2-CD2 4.12Å; L123-L144 HydrophobicContact CG-CD2 3.99Å; L123-L144 PolarHBondContact O-N 3.05Å; L126-L144 HydrophobicContact CB-CD2 3.84Å; L140-L144 HydrophobicContact CB-CD1 4.26Å; L140-L144 HydrophobicContact CD2-CD1 4.3Å; P141-L144 HydrophobicContact CG-CD1 3.97Å; P141-L144 HydrophobicContact CG-CD2 4.33Å; P141-L144 HydrophobicContact CG-CG 3.92Å; P141-L144 WeakPolarHBondContact O-CG 3.39Å; P141-L144 PolarHBondContact O-N 2.85Å; R142-L144 VanDerWaalsContact C-N 3.32Å; L144-N167 CarbonylContact O-C 3.15Å; L144-N167 VanDerWaalsContact O-C 3.25Å; L144-L168 HydrophobicContact CB-CD1 3.85Å; L144-L168 VanDerWaalsContact O-CA 3.27Å; L144-L168 WeakPolarHBondContact O-CA 3.27Å; L144-L168 PolarHBondContact O-N 3.39Å; L144-L168 VanDerWaalsContact O-N 3.15Å
145	E	98.8	Very high	98.2	Very high	58 Å²	58	36.3 Å²	36.3	27%	0.271	18%	0.18	S	C	.	.	S	Bend	trans	-101	-34.3	171.8	-65.8	174	-177	0	0	111.2	L124 Y125 G143 T169 M170	L124-E145 HydrophobicContact CB-CB 4.47Å; L124-E145 HydrophobicContact CB-CG 4.22Å; L124-E145 HydrophobicContact CD2-CG 4.29Å; L124-E145 PolarHBondContact O-N 3.44Å; Y125-E145 WeakPolarHBondContact CE2-OE2 3.39Å; Y125-E145 VanDerWaalsContact CZ-OE2 3.23Å; Y125-E145 PolarHBondContact OH-OE2 3.28Å; G143-E145 PolarHBondContact O-N 3.18Å; E145-T169 PolarHBondContact O-N 3.33Å; E145-T169 PolarHBondContact O-OG1 3.26Å; E145-M170 PolarHBondContact O-N 2.9Å
146	Q	98.9	Very high	98.1	Very high	35 Å²	35	41.2 Å²	41.2	16%	0.164	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	131.7	175.1	-55.2	-165.4	7.8	0	0	112.2	L124 Y125 L126 M170	L124-Q146 PolarHBondContact O-N 3.07Å; Y125-Q146 HydrophobicContact CD1-CB 3.84Å; Y125-Q146 HydrophobicContact CD1-CG 3.77Å; Y125-Q146 HydrophobicContact CE1-CB 4.26Å; Y125-Q146 HydrophobicContact CE1-CG 3.67Å; L126-Q146 PolarHBondContact N-O 2.82Å; L126-Q146 VanDerWaalsContact N-O 3.11Å; Q146-M170 HydrophobicContact CB-CB 4.3Å; Q146-M170 HydrophobicContact CG-CB 3.95Å
147	L	98.9	Very high	98.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	121.1	174	177.4	59.7	0	0	0	109.5	L126 L140 L149 F162 L168 M170 L171 D172	L126-L147 HydrophobicContact CB-CD1 4.18Å; L126-L147 HydrophobicContact CD2-CD1 4.02Å; L126-L147 HydrophobicContact CG-CD1 4.15Å; L140-L147 HydrophobicContact CD1-CD2 3.63Å; L140-L147 HydrophobicContact CD2-CD2 4.38Å; L147-L149 HydrophobicContact CD1-CD1 4.19Å; L147-L149 HydrophobicContact CD1-CD2 4.44Å; L147-L149 HydrophobicContact CD1-CG 4.08Å; L147-L149 HydrophobicContact CD2-CD1 3.86Å; L147-L149 HydrophobicContact CG-CD1 3.88Å; L147-L149 HydrophobicContact CG-CG 4.09Å; L147-F162 HydrophobicContact CD2-CE1 4.12Å; L147-L168 HydrophobicContact CB-CD1 3.93Å; L147-M170 PolarHBondContact N-O 3.26Å; L147-L171 HydrophobicContact CB-CD1 4.25Å; L147-L171 HydrophobicContact CD2-CD1 4Å; L147-L171 HydrophobicContact CG-CD1 4.16Å; L147-D172 PolarHBondContact O-N 3.25Å
148	R	98.9	Very high	98.1	Very high	74 Å²	74	43.4 Å²	43.4	28%	0.279	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	120	179.1	-54.7	-163	-174.4	-177.4	0	111.6	L126 F127 L128 E129 D172	L126-R148 PolarHBondContact O-N 3.28Å; F127-R148 HydrophobicContact CD1-CB 4.34Å; F127-R148 HydrophobicContact CD1-CG 4.16Å; F127-R148 HydrophobicContact CE1-CG 4.35Å; L128-R148 CarbonylContact C-O 3.53Å; L128-R148 WeakPolarHBondContact CA-O 3.45Å; L128-R148 PolarHBondContact N-O 3.02Å; E129-R148 VanDerWaalsContact CD-CB 3.44Å; E129-R148 HydrophobicContact CG-CB 3.68Å; E129-R148 PolarHBondContact N-O 2.72Å; E129-R148 WeakPolarHBondContact OE1-CB 3.39Å; E129-R148 WeakPolarHBondContact OE1-CD 3.17Å; R148-D172 HydrophobicContact CB-CB 4.33Å; R148-D172 HydrophobicContact CG-CB 4.19Å
149	L	98.9	Very high	98.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	23%	0.23	C	C	.	.			trans	-131	15.8	-173.6	-68.6	166.5	0	0	0	111.3	L128 L133 V136 P137 L147 N152 I154 D172 L173 N176	L128-L149 HydrophobicContact CB-CD2 3.85Å; L128-L149 HydrophobicContact CD1-CD2 4.1Å; L133-L149 HydrophobicContact CD1-CD2 3.63Å; V136-L149 HydrophobicContact CG1-CD1 4.04Å; V136-L149 HydrophobicContact CG2-CD1 4.18Å; P137-L149 HydrophobicContact CG-CD2 4.37Å; L147-L149 HydrophobicContact CD1-CD1 4.19Å; L147-L149 HydrophobicContact CD1-CD2 4.44Å; L147-L149 HydrophobicContact CD1-CG 4.08Å; L147-L149 HydrophobicContact CD2-CD1 3.86Å; L147-L149 HydrophobicContact CG-CD1 3.88Å; L147-L149 HydrophobicContact CG-CG 4.09Å; L149-N152 PolarHBondContact O-ND2 2.95Å; L149-I154 HydrophobicContact CB-CD1 3.79Å; L149-I154 HydrophobicContact CD1-CD1 4.22Å; L149-I154 HydrophobicContact CD2-CD1 4.29Å; L149-I154 HydrophobicContact CG-CD1 4.33Å; L149-D172 CarbonylContact C-O 3.52Å; L149-D172 WeakPolarHBondContact CA-O 3.42Å; L149-D172 PolarHBondContact N-O 2.81Å; L149-L173 HydrophobicContact CB-CD2 4.02Å; L149-L173 HydrophobicContact CD1-CD2 4.02Å; L149-N176 PolarHBondContact O-ND2 3.39Å
150	A	98.9	Very high	98.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.228	C	C	.	.			trans	-62.7	154.1	-178.3	0	0	0	0	0	112.5	E129 D130 N152 D172 H174	E129-A150 CarbonylContact C-O 3.58Å; E129-A150 WeakPolarHBondContact CA-O 3.28Å; E129-A150 HydrophobicContact CB-CB 4.35Å; E129-A150 WeakPolarHBondContact CB-O 3.3Å; E129-A150 HydrophobicContact CG-CB 4.04Å; D130-A150 PolarHBondContact N-O 2.71Å; A150-N152 VanDerWaalsContact C-N 3.32Å; A150-N152 PolarHBondContact O-N 3.11Å; A150-N152 PolarHBondContact O-ND2 3.44Å; A150-D172 PolarHBondContact N-O 3.2Å; A150-H174 CarbonylContact C-O 3.38Å; A150-H174 WeakPolarHBondContact CA-O 3.13Å; A150-H174 HydrophobicContact CB-CB 4.23Å; A150-H174 WeakPolarHBondContact CB-O 3.27Å
151	R	98.9	Very high	98.1	Very high	83 Å²	83	48.7 Å²	48.7	31%	0.313	23%	0.23	S	C	.	.	S	Bend	trans	56.4	45.2	177.9	-57.3	179.8	-61.1	-69.6	-8.5	112.5	D130 H174 Q175	D130-R151 VanDerWaalsContact CA-O 3.26Å; D130-R151 WeakPolarHBondContact CA-O 3.06Å; D130-R151 PolarHBondContact N-O 3.28Å; D130-R151 WeakPolarHBondContact OD1-CB 3.46Å; D130-R151 VanDerWaalsContact OD1-CD 3.28Å; D130-R151 WeakPolarHBondContact OD1-CD 3.46Å; D130-R151 IonicContact OD1-CZ 3.4Å; D130-R151 IonicContact OD1-NE 3.33Å; D130-R151 PolarHBondContact OD1-NE 3.18Å; D130-R151 IonicContact OD1-NH2 3.43Å; D130-R151 IonicContact OD2-CZ 3.4Å; D130-R151 VanDerWaalsContact OD2-CZ 3.28Å; D130-R151 IonicContact OD2-NE 3.39Å; D130-R151 PolarHBondContact OD2-NE 3.06Å; D130-R151 IonicContact OD2-NH2 3.61Å; D130-R151 PolarHBondContact OD2-NH2 3.41Å; R151-H174 PolarHBondContact N-O 2.83Å; R151-Q175 WeakPolarHBondContact CA-O 3.47Å; R151-Q175 HydrophobicContact CG-CB 3.95Å; R151-Q175 HydrophobicContact CG-CG 4.16Å; R151-Q175 PolarHBondContact N-O 3.32Å
152	N	98.9	Very high	98.1	Very high	13 Å²	13	48.7 Å²	48.7	7%	0.07	23%	0.23	C	C	.	.	S	Bend	trans	-112.1	-163.4	168.1	-82.6	-88.7	0	0	0	108.8	L128 N131 E132 L133 L149 A150 I154 Q175 N176	L128-N152 PolarHBondContact O-ND2 2.62Å; N131-N152 VanDerWaalsContact CA-OD1 3.3Å; N131-N152 WeakPolarHBondContact CA-OD1 3.03Å; N131-N152 WeakPolarHBondContact CB-OD1 3.35Å; N131-N152 PolarHBondContact N-OD1 3.47Å; N131-N152 PolarHBondContact O-OD1 2.6Å; E132-N152 PolarHBondContact N-OD1 3.46Å; L133-N152 HydrophobicContact CB-CB 4.14Å; L133-N152 VanDerWaalsContact CB-OD1 3.32Å; L133-N152 WeakPolarHBondContact CB-OD1 3.19Å; L133-N152 WeakPolarHBondContact CG-OD1 3.43Å; L133-N152 PolarHBondContact N-OD1 3.22Å; L149-N152 PolarHBondContact O-ND2 2.95Å; A150-N152 VanDerWaalsContact C-N 3.32Å; A150-N152 PolarHBondContact O-N 3.11Å; A150-N152 PolarHBondContact O-ND2 3.44Å; N152-I154 HydrophobicContact CB-CD1 4.18Å; N152-I154 HydrophobicContact CB-CG1 3.9Å; N152-Q175 PolarHBondContact N-O 3.46Å; N152-N176 VanDerWaalsContact CA-OD1 3.29Å; N152-N176 WeakPolarHBondContact CA-OD1 3.4Å; N152-N176 WeakPolarHBondContact CB-OD1 3.18Å; N152-N176 PolarHBondContact N-OD1 2.88Å; N152-N176 PolarHBondContact O-OD1 3.19Å
153	K	98.8	Very high	98.1	Very high	77 Å²	77	42.4 Å²	42.4	34%	0.335	21%	0.213	S	C	.	.			trans	-109.1	18.7	176.6	-56.3	174.1	-167.6	164.2	0	112	E132 L133 E134 S155 N176 N177	E132-K153 IonicContact OE2-NZ 3.12Å; E132-K153 PolarHBondContact OE2-NZ 2.92Å; L133-K153 CarbonylContact O-C 3.2Å; L133-K153 VanDerWaalsContact O-CA 3.25Å; L133-K153 WeakPolarHBondContact O-CA 3.44Å; L133-K153 WeakPolarHBondContact O-CB 3.47Å; L133-K153 PolarHBondContact O-N 2.97Å; E134-K153 HydrophobicContact CG-CB 4.21Å; K153-S155 PolarHBondContact O-N 2.94Å; K153-S155 VanDerWaalsContact O-N 3.14Å; K153-N176 PolarHBondContact N-OD1 2.73Å; K153-N177 WeakPolarHBondContact CA-ND2 3.29Å; K153-N177 PolarHBondContact O-ND2 3.43Å
154	I	98.9	Very high	97.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.228	C	C	.	.			trans	-61.1	116.9	-165.1	-63.6	175.1	0	0	0	110.7	L133 E134 V136 L149 N152 R156 L173 N176 N177 L178	L133-I154 HydrophobicContact CB-CD1 4.42Å; L133-I154 HydrophobicContact CB-CG1 4.11Å; L133-I154 WeakPolarHBondContact O-CG1 3.34Å; L133-I154 PolarHBondContact O-N 3.39Å; L133-I154 VanDerWaalsContact O-N 3.08Å; E134-I154 CarbonylContact O-C 3.37Å; E134-I154 WeakPolarHBondContact O-CA 3.37Å; V136-I154 HydrophobicContact CG2-CD1 4.38Å; V136-I154 HydrophobicContact CG2-CG2 4.05Å; L149-I154 HydrophobicContact CB-CD1 3.79Å; L149-I154 HydrophobicContact CD1-CD1 4.22Å; L149-I154 HydrophobicContact CD2-CD1 4.29Å; L149-I154 HydrophobicContact CG-CD1 4.33Å; N152-I154 HydrophobicContact CB-CD1 4.18Å; N152-I154 HydrophobicContact CB-CG1 3.9Å; I154-R156 WeakPolarHBondContact CG2-O 3.31Å; I154-L173 HydrophobicContact CD1-CD2 4.18Å; I154-N176 HydrophobicContact CB-CB 4.12Å; I154-N176 VanDerWaalsContact CB-OD1 3.31Å; I154-N176 WeakPolarHBondContact CB-OD1 3.42Å; I154-N176 WeakPolarHBondContact CG1-OD1 3.2Å; I154-N176 PolarHBondContact N-OD1 3.17Å; I154-N177 CarbonylContact O-C 3.54Å; I154-N177 VanDerWaalsContact O-CA 3.31Å; I154-N177 WeakPolarHBondContact O-CA 3.33Å; I154-N177 PolarHBondContact O-N 2.9Å; I154-L178 HydrophobicContact CG2-CD2 4.03Å; I154-L178 PolarHBondContact O-N 2.72Å
155	S	98.6	Very high	97.9	Very high	63 Å²	63	46 Å²	46	44%	0.441	23%	0.229	S	C	.	.			trans	-115.5	-18.2	176.6	64.8	0	0	0	0	112.8	E134 K153 A182	E134-S155 PolarHBondContact O-N 3.02Å; E134-S155 PolarHBondContact O-OG 3.03Å; K153-S155 PolarHBondContact O-N 2.94Å; K153-S155 VanDerWaalsContact O-N 3.14Å; S155-A182 WeakPolarHBondContact O-CB 3.18Å
156	R	98.3	Very high	97.9	Very high	148 Å²	148	48.6 Å²	48.6	56%	0.558	24%	0.241	S	C	*	.	B	Isolated β-bridge	trans	-122.9	140.8	179.3	-175.2	168.5	75.5	-172.5	2.9	111.7	E134 E135 V136 I154	E134-R156 PolarHBondContact O-N 3.04Å; E135-R156 VanDerWaalsContact CA-O 3.23Å; E135-R156 WeakPolarHBondContact CA-O 3.13Å; E135-R156 HydrophobicContact CB-CB 3.96Å; E135-R156 WeakPolarHBondContact CB-O 3.4Å; E135-R156 IonicContact OE1-NH2 3.96Å; E135-R156 PolarHBondContact OE1-NH2 2.9Å; E135-R156 VanDerWaalsContact OE1-NH2 3.11Å; E135-R156 IonicContact OE2-CZ 2.89Å; E135-R156 IonicContact OE2-NE 3.08Å; E135-R156 PolarHBondContact OE2-NE 3.38Å; E135-R156 IonicContact OE2-NH2 3.66Å; E135-R156 PolarHBondContact OE2-NH2 3.08Å; V136-R156 PolarHBondContact N-O 2.85Å; V136-R156 VanDerWaalsContact N-O 3.14Å; I154-R156 WeakPolarHBondContact CG2-O 3.31Å
157	I	98.3	Very high	97.8	Very high	18 Å²	18	50.8 Å²	50.8	9%	0.092	25%	0.254	C	S	.	.			trans	-114.4	116.8	165.5	-54.6	-175	0	0	0	106	V136 V161 F162 L173 L178 L183 T187	V136-I157 HydrophobicContact CB-CG2 4.47Å; V136-I157 HydrophobicContact CG2-CB 4.36Å; V136-I157 HydrophobicContact CG2-CG1 3.91Å; V136-I157 HydrophobicContact CG2-CG2 4.17Å; I157-V161 HydrophobicContact CG2-CG1 3.57Å; I157-F162 HydrophobicContact CG2-CD2 4.46Å; I157-F162 HydrophobicContact CG2-CE2 3.83Å; I157-F162 HydrophobicContact CG2-CZ 4.27Å; I157-L173 HydrophobicContact CD1-CD1 4.17Å; I157-L178 HydrophobicContact CD1-CD1 4.49Å; I157-L178 HydrophobicContact CD1-CD2 4.08Å; I157-L178 HydrophobicContact CG1-CD2 3.9Å; I157-L183 HydrophobicContact CD1-CD2 3.81Å; I157-T187 HydrophobicContact CB-CG2 4.26Å; I157-T187 HydrophobicContact CD1-CG2 3.84Å; I157-T187 HydrophobicContact CG2-CG2 3.98Å
158	P	97.1	Very high	97.8	Very high	32 Å²	32	50.8 Å²	50.8	21%	0.208	25%	0.254	C	S	.	.			trans	-63.3	146	179.3	-24.4	35.1	0	0	0	112.5	E135 V136 A138 G160 V161	E135-P158 WeakPolarHBondContact OE2-CG 3.46Å; V136-P158 WeakPolarHBondContact O-CD 3.44Å; V136-P158 WeakPolarHBondContact O-CG 3.34Å; A138-P158 HydrophobicContact CB-CG 4.41Å; P158-G160 PolarHBondContact O-N 2.97Å; P158-V161 HydrophobicContact CB-CB 4.3Å; P158-V161 WeakPolarHBondContact O-CB 3.2Å; P158-V161 VanDerWaalsContact O-CG1 3.25Å; P158-V161 WeakPolarHBondContact O-CG1 3.43Å; P158-V161 PolarHBondContact O-N 3.08Å
159	E	96.2	Very high	97.8	Very high	182 Å²	182	49.4 Å²	49.4	85%	0.85	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	130.4	178.8	-169.2	-174.8	148.1	0	0	111.1	V161	E159-V161 PolarHBondContact O-N 3.14Å; E159-V161 VanDerWaalsContact O-N 3.1Å
160	G	96.2	Very high	97.8	Very high	33 Å²	33	50.8 Å²	50.8	34%	0.34	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	10.4	177	0	0	0	0	0	116.7	P158 F162 S163	P158-G160 PolarHBondContact O-N 2.97Å; G160-F162 PolarHBondContact O-N 2.82Å; G160-F162 VanDerWaalsContact O-N 3.07Å; G160-S163 VanDerWaalsContact CA-OG 3.25Å; G160-S163 WeakPolarHBondContact CA-OG 3.25Å; G160-S163 WeakPolarHBondContact O-CB 3.36Å; G160-S163 PolarHBondContact O-N 3.04Å; G160-S163 PolarHBondContact O-OG 2.85Å
161	V	97.6	Very high	97.8	Very high	17 Å²	17	50.8 Å²	50.8	10%	0.103	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-26.9	-179.2	68.5	0	0	0	0	113.4	V136 A138 L140 I157 P158 E159	V136-V161 HydrophobicContact CG1-CG1 4.15Å; V136-V161 HydrophobicContact CG1-CG2 3.96Å; A138-V161 HydrophobicContact CB-CB 4.48Å; A138-V161 HydrophobicContact CB-CG2 3.68Å; L140-V161 HydrophobicContact CD1-CG2 3.97Å; L140-V161 HydrophobicContact CG-CG2 4.34Å; I157-V161 HydrophobicContact CG2-CG1 3.57Å; P158-V161 HydrophobicContact CB-CB 4.3Å; P158-V161 WeakPolarHBondContact O-CB 3.2Å; P158-V161 VanDerWaalsContact O-CG1 3.25Å; P158-V161 WeakPolarHBondContact O-CG1 3.43Å; P158-V161 PolarHBondContact O-N 3.08Å; E159-V161 PolarHBondContact O-N 3.14Å; E159-V161 VanDerWaalsContact O-N 3.1Å
162	F	98.1	Very high	97.8	Very high	1 Å²	1	47.8 Å²	47.8	0%	0.004	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-6.8	179.5	-61.2	-35.6	0	0	0	114.7	V136 L140 L147 I157 G160 N164 L165 L171 T187 F188 Q189 L191	V136-F162 HydrophobicContact CG1-CE1 3.81Å; V136-F162 HydrophobicContact CG1-CZ 3.87Å; V136-F162 HydrophobicContact CG2-CZ 4.25Å; L140-F162 HydrophobicContact CD1-CD1 4.17Å; L140-F162 HydrophobicContact CD1-CE1 4.02Å; L147-F162 HydrophobicContact CD2-CE1 4.12Å; I157-F162 HydrophobicContact CG2-CD2 4.46Å; I157-F162 HydrophobicContact CG2-CE2 3.83Å; I157-F162 HydrophobicContact CG2-CZ 4.27Å; G160-F162 PolarHBondContact O-N 2.82Å; G160-F162 VanDerWaalsContact O-N 3.07Å; F162-N164 PolarHBondContact O-N 2.88Å; F162-L165 HydrophobicContact CD1-CD1 3.82Å; F162-L165 PolarHBondContact O-N 3.43Å; F162-L171 HydrophobicContact CD2-CD2 4.37Å; F162-L171 HydrophobicContact CE1-CD1 4.38Å; F162-L171 HydrophobicContact CE1-CD2 4.34Å; F162-L171 HydrophobicContact CE2-CD2 3.73Å; F162-L171 HydrophobicContact CZ-CD1 4.14Å; F162-L171 HydrophobicContact CZ-CD2 3.71Å; F162-T187 VanDerWaalsContact CD2-O 3.29Å; F162-T187 WeakPolarHBondContact CD2-O 3.36Å; F162-F188 HydrophobicContact CD2-CD1 4.06Å; F162-F188 HydrophobicContact CE2-CD1 4.15Å; F162-F188 HydrophobicContact CE2-CE1 4.17Å; F162-Q189 CarbonylContact C-O 3.3Å; F162-Q189 VanDerWaalsContact C-O 3.3Å; F162-L191 HydrophobicContact CB-CD1 4.15Å; F162-L191 HydrophobicContact CB-CD2 3.74Å; F162-L191 HydrophobicContact CB-CG 3.83Å; F162-L191 HydrophobicContact CD2-CD1 4.06Å; F162-L191 HydrophobicContact CG-CD1 4.13Å; F162-L191 HydrophobicContact CG-CD2 4.22Å; F162-L191 HydrophobicContact CG-CG 4.34Å
163	S	95.3	Very high	97.8	Very high	43 Å²	43	47.1 Å²	47.1	30%	0.301	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-11.8	-168.3	-64.2	0	0	0	0	116.4	G160 Q189	G160-S163 VanDerWaalsContact CA-OG 3.25Å; G160-S163 WeakPolarHBondContact CA-OG 3.25Å; G160-S163 WeakPolarHBondContact O-CB 3.36Å; G160-S163 PolarHBondContact O-N 3.04Å; G160-S163 PolarHBondContact O-OG 2.85Å; S163-Q189 WeakPolarHBondContact CA-O 3.46Å; S163-Q189 PolarHBondContact N-O 3.44Å
164	N	94	Very high	97.8	Very high	85 Å²	85	45.1 Å²	45.1	46%	0.455	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.6	19.8	179.6	-63.5	-96.8	0	0	0	112.7	R142 F162	R142-N164 HydrophobicContact CG-CB 4.09Å; F162-N164 PolarHBondContact O-N 2.88Å
165	L	97.9	Very high	97.8	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.016	26%	0.258	C	S	.	.			trans	-101.8	51.9	-180	-53.3	-171.5	0	0	0	111.4	L140 P141 F162 N167 L168 L191	L140-L165 HydrophobicContact CB-CD1 4.17Å; L140-L165 HydrophobicContact CB-CD2 4.14Å; L140-L165 HydrophobicContact CD1-CD1 3.72Å; P141-L165 WeakPolarHBondContact O-CD2 3.23Å; F162-L165 HydrophobicContact CD1-CD1 3.82Å; F162-L165 PolarHBondContact O-N 3.43Å; L165-N167 PolarHBondContact O-N 2.81Å; L165-L168 HydrophobicContact CB-CB 4.05Å; L165-L168 HydrophobicContact CD1-CD2 4.34Å; L165-L168 VanDerWaalsContact O-CB 3.27Å; L165-L168 WeakPolarHBondContact O-CB 3.35Å; L165-L168 PolarHBondContact O-N 2.77Å; L165-L191 HydrophobicContact CB-CD2 3.84Å
166	E	97.5	Very high	97.8	Very high	114 Å²	114	46.5 Å²	46.5	53%	0.533	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-30.9	-177.4	-65.9	178.3	-158.5	0	0	112.8	L168 G190 S192 N193	E166-L168 VanDerWaalsContact C-N 3.29Å; E166-L168 PolarHBondContact O-N 3.4Å; E166-G190 WeakPolarHBondContact CA-O 3.2Å; E166-S192 PolarHBondContact O-OG 2.76Å; E166-N193 VanDerWaalsContact O-CB 3.32Å; E166-N193 WeakPolarHBondContact O-CB 3.32Å; E166-N193 PolarHBondContact O-N 3.09Å; E166-N193 PolarHBondContact O-ND2 3.36Å
167	N	98.3	Very high	97.9	Very high	81 Å²	81	43.5 Å²	43.5	43%	0.433	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-9.4	178.8	-69.7	0.6	0	0	0	113.9	L144 L165 T169	L144-N167 CarbonylContact O-C 3.15Å; L144-N167 VanDerWaalsContact O-C 3.25Å; L165-N167 PolarHBondContact O-N 2.81Å; N167-T169 PolarHBondContact O-N 2.77Å
168	L	98.8	Very high	97.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.229	C	C	.	.			trans	-72.2	115.9	-171.2	-164.5	77.6	0	0	0	110.6	L144 L147 L165 E166 L171 L191 N193 L194	L144-L168 HydrophobicContact CB-CD1 3.85Å; L144-L168 VanDerWaalsContact O-CA 3.27Å; L144-L168 WeakPolarHBondContact O-CA 3.27Å; L144-L168 PolarHBondContact O-N 3.39Å; L144-L168 VanDerWaalsContact O-N 3.15Å; L147-L168 HydrophobicContact CB-CD1 3.93Å; L165-L168 HydrophobicContact CB-CB 4.05Å; L165-L168 HydrophobicContact CD1-CD2 4.34Å; L165-L168 VanDerWaalsContact O-CB 3.27Å; L165-L168 WeakPolarHBondContact O-CB 3.35Å; L165-L168 PolarHBondContact O-N 2.77Å; E166-L168 VanDerWaalsContact C-N 3.29Å; E166-L168 PolarHBondContact O-N 3.4Å; L168-L171 HydrophobicContact CD2-CB 4.11Å; L168-L191 HydrophobicContact CB-CD2 4.05Å; L168-L191 HydrophobicContact CD2-CD1 4.46Å; L168-L191 HydrophobicContact CD2-CD2 3.68Å; L168-L191 HydrophobicContact CG-CD2 4.5Å; L168-N193 CarbonylContact O-C 3.49Å; L168-N193 VanDerWaalsContact O-C 3.31Å; L168-L194 HydrophobicContact CD2-CD1 4.15Å; L168-L194 HydrophobicContact CG-CD1 4.21Å; L168-L194 WeakPolarHBondContact O-CA 3.36Å; L168-L194 PolarHBondContact O-N 3.33Å; L168-L194 VanDerWaalsContact O-N 3.15Å
169	T	98.9	Very high	97.9	Very high	45 Å²	45	45.2 Å²	45.2	28%	0.276	24%	0.241	S	C	.	.			trans	-98.1	-25.8	179.7	63	0	0	0	0	112.7	E145 N167 M195 Q196	E145-T169 PolarHBondContact O-N 3.33Å; E145-T169 PolarHBondContact O-OG1 3.26Å; N167-T169 PolarHBondContact O-N 2.77Å; T169-M195 HydrophobicContact CG2-SD 4.49Å; T169-M195 PolarHBondContact O-N 2.76Å; T169-Q196 PolarHBondContact O-N 2.89Å
170	M	98.9	Very high	98	Very high	29 Å²	29	38.8 Å²	38.8	14%	0.143	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	126.8	-178.6	-174.3	178.8	-60	0	0	111.9	E145 Q146 L147 Q196	E145-M170 PolarHBondContact O-N 2.9Å; Q146-M170 HydrophobicContact CB-CB 4.3Å; Q146-M170 HydrophobicContact CG-CB 3.95Å; L147-M170 PolarHBondContact N-O 3.26Å; M170-Q196 WeakPolarHBondContact CA-O 3.29Å; M170-Q196 VanDerWaalsContact CE-OE1 3.27Å; M170-Q196 HydrophobicContact CG-CB 4.27Å; M170-Q196 HydrophobicContact CG-CG 4.37Å
171	L	98.9	Very high	98	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	117.3	170.9	178	57.8	0	0	0	109.5	L147 F162 L168 L173 F188 L191 L194 Q196 L197 N198	L147-L171 HydrophobicContact CB-CD1 4.25Å; L147-L171 HydrophobicContact CD2-CD1 4Å; L147-L171 HydrophobicContact CG-CD1 4.16Å; F162-L171 HydrophobicContact CD2-CD2 4.37Å; F162-L171 HydrophobicContact CE1-CD1 4.38Å; F162-L171 HydrophobicContact CE1-CD2 4.34Å; F162-L171 HydrophobicContact CE2-CD2 3.73Å; F162-L171 HydrophobicContact CZ-CD1 4.14Å; F162-L171 HydrophobicContact CZ-CD2 3.71Å; L168-L171 HydrophobicContact CD2-CB 4.11Å; L171-L173 HydrophobicContact CD1-CD1 4.37Å; L171-L173 HydrophobicContact CD1-CG 4.2Å; L171-L173 HydrophobicContact CD2-CD1 4.02Å; L171-L173 HydrophobicContact CG-CD1 4.1Å; L171-L173 HydrophobicContact CG-CG 4.23Å; L171-F188 HydrophobicContact CD2-CD1 4.17Å; L171-F188 HydrophobicContact CD2-CE1 3.92Å; L171-L191 HydrophobicContact CD2-CD1 4.05Å; L171-L194 HydrophobicContact CB-CD1 3.91Å; L171-Q196 PolarHBondContact N-O 2.83Å; L171-L197 HydrophobicContact CB-CD1 4.14Å; L171-L197 HydrophobicContact CD2-CD1 3.98Å; L171-L197 HydrophobicContact CG-CD1 4.12Å; L171-N198 PolarHBondContact O-N 3.23Å
172	D	98.9	Very high	98	Very high	19 Å²	19	41.1 Å²	41.1	10%	0.102	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	107.6	179	-170.1	13.9	0	0	0	111.7	L147 R148 L149 A150 H174 N198	L147-D172 PolarHBondContact O-N 3.25Å; R148-D172 HydrophobicContact CB-CB 4.33Å; R148-D172 HydrophobicContact CG-CB 4.19Å; L149-D172 CarbonylContact C-O 3.52Å; L149-D172 WeakPolarHBondContact CA-O 3.42Å; L149-D172 PolarHBondContact N-O 2.81Å; A150-D172 PolarHBondContact N-O 3.2Å; D172-H174 WeakPolarHBondContact OD1-CB 3Å; D172-H174 PolarHBondContact OD1-N 3.39Å; D172-N198 WeakPolarHBondContact OD1-CB 3.09Å; D172-N198 PolarHBondContact OD1-ND2 3.5Å
173	L	98.9	Very high	97.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.226	C	C	.	.			trans	-114.3	17.3	177.2	-70	164.4	0	0	0	111.5	V136 L149 I154 I157 L171 N176 L178 N198 N202	V136-L173 HydrophobicContact CG2-CD2 4.08Å; L149-L173 HydrophobicContact CB-CD2 4.02Å; L149-L173 HydrophobicContact CD1-CD2 4.02Å; I154-L173 HydrophobicContact CD1-CD2 4.18Å; I157-L173 HydrophobicContact CD1-CD1 4.17Å; L171-L173 HydrophobicContact CD1-CD1 4.37Å; L171-L173 HydrophobicContact CD1-CG 4.2Å; L171-L173 HydrophobicContact CD2-CD1 4.02Å; L171-L173 HydrophobicContact CG-CD1 4.1Å; L171-L173 HydrophobicContact CG-CG 4.23Å; L173-N176 PolarHBondContact O-ND2 3.12Å; L173-L178 HydrophobicContact CB-CD1 4.13Å; L173-L178 HydrophobicContact CD1-CD1 4.18Å; L173-N198 CarbonylContact C-O 3.5Å; L173-N198 WeakPolarHBondContact CA-O 3.4Å; L173-N198 PolarHBondContact N-O 3.16Å; L173-N202 PolarHBondContact O-ND2 3.15Å; L173-N202 VanDerWaalsContact O-ND2 3.15Å
174	H	98.8	Very high	97.9	Very high	35 Å²	35	43.8 Å²	43.8	16%	0.162	23%	0.232	C	C	.	.			trans	-61.1	139.5	-177.1	153.2	-71.1	0	0	0	113.3	A150 R151 D172 N198 A200 K201	A150-H174 CarbonylContact C-O 3.38Å; A150-H174 WeakPolarHBondContact CA-O 3.13Å; A150-H174 HydrophobicContact CB-CB 4.23Å; A150-H174 WeakPolarHBondContact CB-O 3.27Å; R151-H174 PolarHBondContact N-O 2.83Å; D172-H174 WeakPolarHBondContact OD1-CB 3Å; D172-H174 PolarHBondContact OD1-N 3.39Å; H174-N198 WeakPolarHBondContact CB-ND2 3.4Å; H174-N198 PolarHBondContact N-O 3.15Å; H174-A200 CarbonylContact C-O 3.45Å; H174-A200 WeakPolarHBondContact CA-O 3.39Å; H174-K201 WeakPolarHBondContact NE2-CD 3.45Å
175	Q	98.8	Very high	97.9	Very high	85 Å²	85	43.6 Å²	43.6	40%	0.397	24%	0.238	S	C	.	.	S	Bend	trans	60.7	69.1	178.2	-165.8	172.6	-31.8	0	0	111.4	R151 N152 A200 K201	R151-Q175 WeakPolarHBondContact CA-O 3.47Å; R151-Q175 HydrophobicContact CG-CB 3.95Å; R151-Q175 HydrophobicContact CG-CG 4.16Å; R151-Q175 PolarHBondContact N-O 3.32Å; N152-Q175 PolarHBondContact N-O 3.46Å; Q175-A200 PolarHBondContact N-O 3.32Å; Q175-K201 WeakPolarHBondContact CA-O 3.2Å; Q175-K201 HydrophobicContact CB-CB 3.91Å; Q175-K201 HydrophobicContact CB-CD 4.26Å; Q175-K201 HydrophobicContact CG-CB 4.35Å; Q175-K201 HydrophobicContact CG-CD 4.38Å; Q175-K201 PolarHBondContact N-O 3.07Å
176	N	98.9	Very high	97.8	Very high	7 Å²	7	46.2 Å²	46.2	4%	0.037	25%	0.252	C	S	.	.	S	Bend	trans	-138.7	-173.1	177	-86	-66.9	0	0	0	108.9	L149 N152 K153 I154 L173 K201 N202	L149-N176 PolarHBondContact O-ND2 3.39Å; N152-N176 VanDerWaalsContact CA-OD1 3.29Å; N152-N176 WeakPolarHBondContact CA-OD1 3.4Å; N152-N176 WeakPolarHBondContact CB-OD1 3.18Å; N152-N176 PolarHBondContact N-OD1 2.88Å; N152-N176 PolarHBondContact O-OD1 3.19Å; K153-N176 PolarHBondContact N-OD1 2.73Å; I154-N176 HydrophobicContact CB-CB 4.12Å; I154-N176 VanDerWaalsContact CB-OD1 3.31Å; I154-N176 WeakPolarHBondContact CB-OD1 3.42Å; I154-N176 WeakPolarHBondContact CG1-OD1 3.2Å; I154-N176 PolarHBondContact N-OD1 3.17Å; L173-N176 PolarHBondContact O-ND2 3.12Å; N176-K201 PolarHBondContact N-O 3.18Å; N176-N202 WeakPolarHBondContact CA-OD1 3.15Å; N176-N202 WeakPolarHBondContact CB-OD1 3.11Å; N176-N202 PolarHBondContact O-OD1 3.14Å; N176-N202 VanDerWaalsContact O-OD1 3.07Å
177	N	98.7	Very high	97.7	Very high	85 Å²	85	41.6 Å²	41.6	46%	0.455	23%	0.232	S	C	.	.			trans	-105.8	27.5	-175.7	-62.4	-32.4	0	0	0	112.6	K153 I154	K153-N177 WeakPolarHBondContact CA-ND2 3.29Å; K153-N177 PolarHBondContact O-ND2 3.43Å; I154-N177 CarbonylContact O-C 3.54Å; I154-N177 VanDerWaalsContact O-CA 3.31Å; I154-N177 WeakPolarHBondContact O-CA 3.33Å; I154-N177 PolarHBondContact O-N 2.9Å
178	L	98.6	Very high	97.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.212	C	C	.	.			trans	-68.7	136.8	-176.3	-64	167.5	0	0	0	111.5	I154 I157 L173 A182 I199 N202 S203 L204	I154-L178 HydrophobicContact CG2-CD2 4.03Å; I154-L178 PolarHBondContact O-N 2.72Å; I157-L178 HydrophobicContact CD1-CD1 4.49Å; I157-L178 HydrophobicContact CD1-CD2 4.08Å; I157-L178 HydrophobicContact CG1-CD2 3.9Å; L173-L178 HydrophobicContact CB-CD1 4.13Å; L173-L178 HydrophobicContact CD1-CD1 4.18Å; L178-A182 HydrophobicContact CD2-CB 3.8Å; L178-I199 HydrophobicContact CD1-CG2 3.67Å; L178-N202 HydrophobicContact CB-CB 4.1Å; L178-N202 VanDerWaalsContact CB-OD1 3.25Å; L178-N202 WeakPolarHBondContact CB-OD1 3.21Å; L178-N202 WeakPolarHBondContact CG-OD1 3.25Å; L178-N202 PolarHBondContact N-OD1 2.71Å; L178-S203 CarbonylContact O-C 3.46Å; L178-S203 WeakPolarHBondContact O-CA 3.44Å; L178-S203 PolarHBondContact O-N 2.7Å; L178-L204 HydrophobicContact CB-CD2 4.36Å
179	L	98.4	Very high	97.6	Very high	86 Å²	86	44 Å²	44	45%	0.45	24%	0.24	S	C	.	.			trans	-116.4	163.8	174.7	-63.2	171.8	0	0	0	109.3	S181 A182	L179-S181 PolarHBondContact O-N 3.27Å; L179-A182 WeakPolarHBondContact O-CB 3.41Å; L179-A182 PolarHBondContact O-N 3.06Å
180	D	97.8	Very high	97.4	Very high	47 Å²	47	42.9 Å²	42.9	25%	0.251	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-48.6	-37.1	176.4	-60.4	-7.5	0	0	0	112.8	A182 L183 L204 K205 K206	D180-A182 PolarHBondContact O-N 3.04Å; D180-L183 PolarHBondContact O-N 3.25Å; D180-L183 VanDerWaalsContact O-N 3.14Å; D180-L204 WeakPolarHBondContact OD1-CA 3.34Å; D180-K205 PolarHBondContact OD1-N 3.11Å; D180-K206 PolarHBondContact OD1-N 2.75Å; D180-K206 WeakPolarHBondContact OD2-CD 3.25Å; D180-K206 WeakPolarHBondContact OD2-CG 3.35Å
181	S	96.4	Very high	97.3	Very high	87 Å²	87	41.7 Å²	41.7	61%	0.608	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-67.3	-17.6	-179.8	53.5	0	0	0	0	114.7	L179 Q184	L179-S181 PolarHBondContact O-N 3.27Å; S181-Q184 PolarHBondContact O-NE2 3.46Å
182	A	96.8	Very high	97.2	Very high	11 Å²	11	44.2 Å²	44.2	9%	0.091	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-85.6	-8.7	175.1	0	0	0	0	0	113	S155 L178 L179 D180	S155-A182 WeakPolarHBondContact O-CB 3.18Å; L178-A182 HydrophobicContact CD2-CB 3.8Å; L179-A182 WeakPolarHBondContact O-CB 3.41Å; L179-A182 PolarHBondContact O-N 3.06Å; D180-A182 PolarHBondContact O-N 3.04Å
183	L	96.9	Very high	97.2	Very high	5 Å²	5	47.1 Å²	47.1	3%	0.026	27%	0.265	C	S	.	.			trans	-117.9	72.7	-175.3	-58.9	-174.6	0	0	0	111	I157 D180 T187 F188 I199 L204 P208	I157-L183 HydrophobicContact CD1-CD2 3.81Å; D180-L183 PolarHBondContact O-N 3.25Å; D180-L183 VanDerWaalsContact O-N 3.14Å; L183-T187 HydrophobicContact CD2-CG2 4.16Å; L183-F188 HydrophobicContact CD2-CE2 4.1Å; L183-F188 HydrophobicContact CD2-CZ 3.78Å; L183-I199 HydrophobicContact CD1-CD1 4.25Å; L183-L204 HydrophobicContact CD1-CD1 3.73Å; L183-L204 HydrophobicContact CD1-CD2 3.61Å; L183-L204 HydrophobicContact CD1-CG 4.34Å; L183-L204 HydrophobicContact CG-CD2 4.34Å; L183-P208 HydrophobicContact CD1-CB 3.97Å; L183-P208 HydrophobicContact CD1-CG 3.84Å
184	Q	94.8	Very high	97.2	Very high	95 Å²	95	47.1 Å²	47.1	44%	0.444	27%	0.265	S	S	.	.			trans	-73.1	166.6	173.8	-57.4	-56.5	-37.1	0	0	111.7	S181 D186 T187	S181-Q184 PolarHBondContact O-NE2 3.46Å; Q184-D186 VanDerWaalsContact CB-OD1 3.22Å; Q184-D186 WeakPolarHBondContact CB-OD1 3.15Å; Q184-D186 PolarHBondContact O-N 3.09Å; Q184-D186 VanDerWaalsContact O-N 3.16Å; Q184-T187 WeakPolarHBondContact CA-OG1 3.4Å; Q184-T187 PolarHBondContact N-OG1 3.35Å; Q184-T187 WeakPolarHBondContact O-CB 3.39Å; Q184-T187 PolarHBondContact O-N 3.41Å; Q184-T187 VanDerWaalsContact O-N 3.13Å; Q184-T187 PolarHBondContact O-OG1 3.31Å
185	S	94.3	Very high	97.2	Very high	82 Å²	82	50 Å²	50	57%	0.573	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-24.7	-176.1	47.4	0	0	0	0	114.9	S210	S185-S210 WeakPolarHBondContact O-CB 3.36Å; S185-S210 PolarHBondContact O-OG 2.83Å; S185-S210 VanDerWaalsContact O-OG 3.12Å
186	D	94.7	Very high	97.2	Very high	58 Å²	58	47.7 Å²	47.7	31%	0.31	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-5.2	-178.9	64.9	-27.1	0	0	0	113.2	Q184 F188 Q189	Q184-D186 VanDerWaalsContact CB-OD1 3.22Å; Q184-D186 WeakPolarHBondContact CB-OD1 3.15Å; Q184-D186 PolarHBondContact O-N 3.09Å; Q184-D186 VanDerWaalsContact O-N 3.16Å; D186-F188 VanDerWaalsContact C-N 3.26Å; D186-F188 PolarHBondContact O-N 2.87Å; D186-F188 VanDerWaalsContact O-N 3.12Å; D186-Q189 WeakPolarHBondContact O-CB 3.5Å; D186-Q189 PolarHBondContact O-N 2.91Å
187	T	97.1	Very high	97.2	Very high	17 Å²	17	47.3 Å²	47.3	10%	0.104	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-38.8	-171.9	-67.4	0	0	0	0	113	I157 F162 L183 Q184	I157-T187 HydrophobicContact CB-CG2 4.26Å; I157-T187 HydrophobicContact CD1-CG2 3.84Å; I157-T187 HydrophobicContact CG2-CG2 3.98Å; F162-T187 VanDerWaalsContact CD2-O 3.29Å; F162-T187 WeakPolarHBondContact CD2-O 3.36Å; L183-T187 HydrophobicContact CD2-CG2 4.16Å; Q184-T187 WeakPolarHBondContact CA-OG1 3.4Å; Q184-T187 PolarHBondContact N-OG1 3.35Å; Q184-T187 WeakPolarHBondContact O-CB 3.39Å; Q184-T187 PolarHBondContact O-N 3.41Å; Q184-T187 VanDerWaalsContact O-N 3.13Å; Q184-T187 PolarHBondContact O-OG1 3.31Å
188	F	97.7	Very high	97.2	Very high	7 Å²	7	44.1 Å²	44.1	3%	0.031	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	17.7	177.6	-56.3	-63.4	0	0	0	113.8	F162 L171 L183 D186 L191 L197 I199 S210 I211 P212	F162-F188 HydrophobicContact CD2-CD1 4.06Å; F162-F188 HydrophobicContact CE2-CD1 4.15Å; F162-F188 HydrophobicContact CE2-CE1 4.17Å; L171-F188 HydrophobicContact CD2-CD1 4.17Å; L171-F188 HydrophobicContact CD2-CE1 3.92Å; L183-F188 HydrophobicContact CD2-CE2 4.1Å; L183-F188 HydrophobicContact CD2-CZ 3.78Å; D186-F188 VanDerWaalsContact C-N 3.26Å; D186-F188 PolarHBondContact O-N 2.87Å; D186-F188 VanDerWaalsContact O-N 3.12Å; F188-L191 HydrophobicContact CB-CD1 4.08Å; F188-L191 HydrophobicContact CD1-CD1 3.85Å; F188-L191 HydrophobicContact CG-CD1 4.43Å; F188-L191 WeakPolarHBondContact O-CB 3.38Å; F188-L191 PolarHBondContact O-N 3.36Å; F188-L197 HydrophobicContact CD2-CD2 4.37Å; F188-L197 HydrophobicContact CE1-CD1 4.11Å; F188-L197 HydrophobicContact CE1-CD2 4.33Å; F188-L197 HydrophobicContact CE2-CD2 4.15Å; F188-L197 HydrophobicContact CZ-CD1 4.33Å; F188-L197 HydrophobicContact CZ-CD2 4.13Å; F188-I199 HydrophobicContact CE2-CD1 4.18Å; F188-I199 HydrophobicContact CZ-CD1 3.67Å; F188-S210 WeakPolarHBondContact CD2-O 3.42Å; F188-I211 HydrophobicContact CE2-CD1 4.46Å; F188-P212 HydrophobicContact CB-CG 3.8Å
189	Q	95.7	Very high	97.2	Very high	123 Å²	123	44.1 Å²	44.1	58%	0.575	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	144.7	174	-173.7	170.1	-10.1	0	0	110.5	F162 S163 D186 L191	F162-Q189 CarbonylContact C-O 3.3Å; F162-Q189 VanDerWaalsContact C-O 3.3Å; S163-Q189 WeakPolarHBondContact CA-O 3.46Å; S163-Q189 PolarHBondContact N-O 3.44Å; D186-Q189 WeakPolarHBondContact O-CB 3.5Å; D186-Q189 PolarHBondContact O-N 2.91Å; Q189-L191 VanDerWaalsContact C-N 3.28Å; Q189-L191 PolarHBondContact O-N 2.85Å
190	G	95.1	Very high	97.2	Very high	23 Å²	23	40.2 Å²	40.2	24%	0.237	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	84	-15.4	-176.9	0	0	0	0	0	115.4	E166 S192	E166-G190 WeakPolarHBondContact CA-O 3.2Å; G190-S192 PolarHBondContact O-N 3.25Å
191	L	98.1	Very high	97.3	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.016	24%	0.237	C	C	.	.			trans	-77.8	53.4	178.5	-61.3	-170.3	0	0	0	113	F162 L165 L168 L171 F188 Q189 N193 L194 P212	F162-L191 HydrophobicContact CB-CD1 4.15Å; F162-L191 HydrophobicContact CB-CD2 3.74Å; F162-L191 HydrophobicContact CB-CG 3.83Å; F162-L191 HydrophobicContact CD2-CD1 4.06Å; F162-L191 HydrophobicContact CG-CD1 4.13Å; F162-L191 HydrophobicContact CG-CD2 4.22Å; F162-L191 HydrophobicContact CG-CG 4.34Å; L165-L191 HydrophobicContact CB-CD2 3.84Å; L168-L191 HydrophobicContact CB-CD2 4.05Å; L168-L191 HydrophobicContact CD2-CD1 4.46Å; L168-L191 HydrophobicContact CD2-CD2 3.68Å; L168-L191 HydrophobicContact CG-CD2 4.5Å; L171-L191 HydrophobicContact CD2-CD1 4.05Å; F188-L191 HydrophobicContact CB-CD1 4.08Å; F188-L191 HydrophobicContact CD1-CD1 3.85Å; F188-L191 HydrophobicContact CG-CD1 4.43Å; F188-L191 WeakPolarHBondContact O-CB 3.38Å; F188-L191 PolarHBondContact O-N 3.36Å; Q189-L191 VanDerWaalsContact C-N 3.28Å; Q189-L191 PolarHBondContact O-N 2.85Å; L191-N193 VanDerWaalsContact C-N 3.34Å; L191-N193 PolarHBondContact O-N 3.46Å; L191-L194 HydrophobicContact CB-CB 4.07Å; L191-L194 HydrophobicContact CD1-CD2 4.04Å; L191-L194 WeakPolarHBondContact O-CB 3.19Å; L191-L194 PolarHBondContact O-N 3.33Å; L191-P212 HydrophobicContact CB-CB 4.45Å; L191-P212 HydrophobicContact CB-CG 3.81Å; L191-P212 WeakPolarHBondContact O-CB 3.43Å
192	S	96.4	Very high	97.4	Very high	53 Å²	53	38.6 Å²	38.6	37%	0.371	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-33	-169.3	57.9	0	0	0	0	114.1	E166 G190 N214	E166-S192 PolarHBondContact O-OG 2.76Å; G190-S192 PolarHBondContact O-N 3.25Å; S192-N214 PolarHBondContact O-ND2 3.18Å
193	N	98.2	Very high	97.5	Very high	81 Å²	81	41.1 Å²	41.1	43%	0.433	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	16.9	178.4	-63.8	-68.6	0	0	0	114.5	E166 L168 L191 M195	E166-N193 VanDerWaalsContact O-CB 3.32Å; E166-N193 WeakPolarHBondContact O-CB 3.32Å; E166-N193 PolarHBondContact O-N 3.09Å; E166-N193 PolarHBondContact O-ND2 3.36Å; L168-N193 CarbonylContact O-C 3.49Å; L168-N193 VanDerWaalsContact O-C 3.31Å; L191-N193 VanDerWaalsContact C-N 3.34Å; L191-N193 PolarHBondContact O-N 3.46Å; N193-M195 PolarHBondContact O-N 3.35Å
194	L	98.7	Very high	97.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.226	C	C	.	.			trans	-66	122.6	-179.3	-163.5	77.6	0	0	0	111.3	L168 L171 L191 L197 P212 N214 T215	L168-L194 HydrophobicContact CD2-CD1 4.15Å; L168-L194 HydrophobicContact CG-CD1 4.21Å; L168-L194 WeakPolarHBondContact O-CA 3.36Å; L168-L194 PolarHBondContact O-N 3.33Å; L168-L194 VanDerWaalsContact O-N 3.15Å; L171-L194 HydrophobicContact CB-CD1 3.91Å; L191-L194 HydrophobicContact CB-CB 4.07Å; L191-L194 HydrophobicContact CD1-CD2 4.04Å; L191-L194 WeakPolarHBondContact O-CB 3.19Å; L191-L194 PolarHBondContact O-N 3.33Å; L194-L197 HydrophobicContact CD2-CB 3.87Å; L194-L197 HydrophobicContact CD2-CD1 4.28Å; L194-L197 HydrophobicContact CD2-CD2 4.18Å; L194-L197 HydrophobicContact CD2-CG 4.34Å; L194-P212 HydrophobicContact CB-CB 4.07Å; L194-P212 HydrophobicContact CB-CG 4.16Å; L194-P212 HydrophobicContact CD2-CB 4.48Å; L194-P212 HydrophobicContact CD2-CG 3.81Å; L194-N214 CarbonylContact O-C 3.58Å; L194-T215 WeakPolarHBondContact O-CA 3.46Å; L194-T215 PolarHBondContact O-N 3.48Å; L194-T215 VanDerWaalsContact O-N 3.12Å
195	M	98.8	Very high	97.7	Very high	94 Å²	94	42.4 Å²	42.4	46%	0.463	23%	0.231	S	C	.	.			trans	-106.6	-30.9	-179.9	-64.3	172.9	69.1	0	0	112	T169 N193 L216 Q217	T169-M195 HydrophobicContact CG2-SD 4.49Å; T169-M195 PolarHBondContact O-N 2.76Å; N193-M195 PolarHBondContact O-N 3.35Å; M195-L216 HydrophobicContact CB-CD1 4.49Å; M195-L216 HydrophobicContact CB-CG 4.46Å; M195-L216 HydrophobicContact CE-CD1 3.6Å; M195-L216 WeakPolarHBondContact O-CA 3.47Å; M195-L216 PolarHBondContact O-N 3.18Å; M195-Q217 PolarHBondContact O-N 2.85Å
196	Q	98.9	Very high	97.9	Very high	37 Å²	37	44.8 Å²	44.8	17%	0.173	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	124.4	179.5	179.8	178.2	-27.6	0	0	111.2	T169 M170 L171 Q217 F219	T169-Q196 PolarHBondContact O-N 2.89Å; M170-Q196 WeakPolarHBondContact CA-O 3.29Å; M170-Q196 VanDerWaalsContact CE-OE1 3.27Å; M170-Q196 HydrophobicContact CG-CB 4.27Å; M170-Q196 HydrophobicContact CG-CG 4.37Å; L171-Q196 PolarHBondContact N-O 2.83Å; Q196-Q217 WeakPolarHBondContact CA-O 3.12Å; Q196-Q217 HydrophobicContact CB-CB 4.18Å; Q196-Q217 HydrophobicContact CG-CB 4.01Å; Q196-F219 HydrophobicContact CG-CE2 4.33Å
197	L	98.9	Very high	98	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	117.3	174.8	-177.9	49.7	0	0	0	109.8	L171 F188 L194 I199 I211 T215 Q217 L218 F219	L171-L197 HydrophobicContact CB-CD1 4.14Å; L171-L197 HydrophobicContact CD2-CD1 3.98Å; L171-L197 HydrophobicContact CG-CD1 4.12Å; F188-L197 HydrophobicContact CD2-CD2 4.37Å; F188-L197 HydrophobicContact CE1-CD1 4.11Å; F188-L197 HydrophobicContact CE1-CD2 4.33Å; F188-L197 HydrophobicContact CE2-CD2 4.15Å; F188-L197 HydrophobicContact CZ-CD1 4.33Å; F188-L197 HydrophobicContact CZ-CD2 4.13Å; L194-L197 HydrophobicContact CD2-CB 3.87Å; L194-L197 HydrophobicContact CD2-CD1 4.28Å; L194-L197 HydrophobicContact CD2-CD2 4.18Å; L194-L197 HydrophobicContact CD2-CG 4.34Å; L197-I199 HydrophobicContact CD1-CD1 4.03Å; L197-I199 HydrophobicContact CD1-CG1 3.84Å; L197-I199 HydrophobicContact CD2-CD1 4.16Å; L197-I199 HydrophobicContact CG-CD1 4Å; L197-I199 HydrophobicContact CG-CG1 3.96Å; L197-I211 HydrophobicContact CD2-CD1 3.59Å; L197-I211 HydrophobicContact CD2-CG2 4.31Å; L197-T215 HydrophobicContact CB-CG2 4.25Å; L197-Q217 PolarHBondContact N-O 2.93Å; L197-L218 HydrophobicContact CB-CD1 4.32Å; L197-L218 HydrophobicContact CD2-CD1 4.46Å; L197-L218 HydrophobicContact CG-CD1 4.34Å; L197-F219 PolarHBondContact O-N 2.96Å
198	N	98.9	Very high	98	Very high	18 Å²	18	41.7 Å²	41.7	10%	0.096	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	111	-179.8	-174.3	14.1	0	0	0	110.6	L171 D172 L173 H174 A200 F219	L171-N198 PolarHBondContact O-N 3.23Å; D172-N198 WeakPolarHBondContact OD1-CB 3.09Å; D172-N198 PolarHBondContact OD1-ND2 3.5Å; L173-N198 CarbonylContact C-O 3.5Å; L173-N198 WeakPolarHBondContact CA-O 3.4Å; L173-N198 PolarHBondContact N-O 3.16Å; H174-N198 WeakPolarHBondContact CB-ND2 3.4Å; H174-N198 PolarHBondContact N-O 3.15Å; N198-A200 WeakPolarHBondContact OD1-CB 3.29Å; N198-A200 PolarHBondContact OD1-N 3.37Å; N198-F219 HydrophobicContact CB-CB 4.37Å; N198-F219 HydrophobicContact CB-CD2 4.05Å; N198-F219 WeakPolarHBondContact OD1-CB 3.47Å
199	I	98.8	Very high	97.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.243	C	C	.	.			trans	-126	22.4	177.1	-33	176.5	0	0	0	110	L178 L183 F188 L197 N202 L204 P208 F219 L220 N223	L178-I199 HydrophobicContact CD1-CG2 3.67Å; L183-I199 HydrophobicContact CD1-CD1 4.25Å; F188-I199 HydrophobicContact CE2-CD1 4.18Å; F188-I199 HydrophobicContact CZ-CD1 3.67Å; L197-I199 HydrophobicContact CD1-CD1 4.03Å; L197-I199 HydrophobicContact CD1-CG1 3.84Å; L197-I199 HydrophobicContact CD2-CD1 4.16Å; L197-I199 HydrophobicContact CG-CD1 4Å; L197-I199 HydrophobicContact CG-CG1 3.96Å; I199-N202 HydrophobicContact CG2-CB 4.48Å; I199-N202 PolarHBondContact O-ND2 2.92Å; I199-L204 HydrophobicContact CG2-CD1 4.06Å; I199-P208 HydrophobicContact CD1-CG 4.38Å; I199-F219 CarbonylContact C-O 3.31Å; I199-F219 PolarHBondContact N-O 3.37Å; I199-L220 HydrophobicContact CB-CD2 4.21Å; I199-N223 PolarHBondContact O-ND2 3.24Å; I199-N223 VanDerWaalsContact O-ND2 3.16Å
200	A	98.9	Very high	97.7	Very high	4 Å²	4	43.2 Å²	43.2	3%	0.033	23%	0.229	C	C	.	.			trans	-63.8	156.6	175.3	0	0	0	0	0	112.3	H174 Q175 N198 N202 F219 D221	H174-A200 CarbonylContact C-O 3.45Å; H174-A200 WeakPolarHBondContact CA-O 3.39Å; Q175-A200 PolarHBondContact N-O 3.32Å; N198-A200 WeakPolarHBondContact OD1-CB 3.29Å; N198-A200 PolarHBondContact OD1-N 3.37Å; A200-N202 PolarHBondContact O-ND2 3.23Å; A200-F219 HydrophobicContact CB-CB 4.49Å; A200-F219 PolarHBondContact N-O 2.98Å; A200-D221 CarbonylContact C-O 3.32Å; A200-D221 WeakPolarHBondContact CA-O 3.33Å; A200-D221 HydrophobicContact CB-CB 3.86Å; A200-D221 VanDerWaalsContact CB-O 3.29Å; A200-D221 WeakPolarHBondContact CB-O 3.28Å
201	K	98.9	Very high	97.8	Very high	90 Å²	90	42.4 Å²	42.4	39%	0.391	22%	0.219	S	C	.	.	S	Bend	trans	55.2	47.9	-176.2	-63.6	-173.4	-168.5	170.8	0	113	H174 Q175 N176 D221 N222	H174-K201 WeakPolarHBondContact NE2-CD 3.45Å; Q175-K201 WeakPolarHBondContact CA-O 3.2Å; Q175-K201 HydrophobicContact CB-CB 3.91Å; Q175-K201 HydrophobicContact CB-CD 4.26Å; Q175-K201 HydrophobicContact CG-CB 4.35Å; Q175-K201 HydrophobicContact CG-CD 4.38Å; Q175-K201 PolarHBondContact N-O 3.07Å; N176-K201 PolarHBondContact N-O 3.18Å; K201-D221 PolarHBondContact N-O 2.96Å; K201-N222 WeakPolarHBondContact CA-O 3.48Å; K201-N222 HydrophobicContact CB-CB 4.34Å; K201-N222 HydrophobicContact CG-CB 3.57Å; K201-N222 PolarHBondContact N-O 3.01Å
202	N	98.8	Very high	97.8	Very high	10 Å²	10	43 Å²	43	5%	0.053	22%	0.223	C	C	.	.	S	Bend	trans	-116.1	-165.3	169.6	-79.3	-86	0	0	0	108.9	L173 N176 L178 I199 A200 L204 N223	L173-N202 PolarHBondContact O-ND2 3.15Å; L173-N202 VanDerWaalsContact O-ND2 3.15Å; N176-N202 WeakPolarHBondContact CA-OD1 3.15Å; N176-N202 WeakPolarHBondContact CB-OD1 3.11Å; N176-N202 PolarHBondContact O-OD1 3.14Å; N176-N202 VanDerWaalsContact O-OD1 3.07Å; L178-N202 HydrophobicContact CB-CB 4.1Å; L178-N202 VanDerWaalsContact CB-OD1 3.25Å; L178-N202 WeakPolarHBondContact CB-OD1 3.21Å; L178-N202 WeakPolarHBondContact CG-OD1 3.25Å; L178-N202 PolarHBondContact N-OD1 2.71Å; I199-N202 HydrophobicContact CG2-CB 4.48Å; I199-N202 PolarHBondContact O-ND2 2.92Å; A200-N202 PolarHBondContact O-ND2 3.23Å; N202-L204 HydrophobicContact CB-CG 4.29Å; N202-N223 WeakPolarHBondContact CA-OD1 3.24Å; N202-N223 WeakPolarHBondContact CB-OD1 3.4Å; N202-N223 PolarHBondContact N-OD1 3Å; N202-N223 PolarHBondContact O-OD1 2.86Å
203	S	98.3	Very high	97.8	Very high	63 Å²	63	43 Å²	43	44%	0.441	23%	0.226	S	C	.	.			trans	-115.2	33.1	179.8	-70.2	0	0	0	0	112.4	L178 N223	L178-S203 CarbonylContact O-C 3.46Å; L178-S203 WeakPolarHBondContact O-CA 3.44Å; L178-S203 PolarHBondContact O-N 2.7Å; S203-N223 PolarHBondContact N-OD1 3.12Å
204	L	98.7	Very high	97.8	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	22%	0.22	C	C	.	.			trans	-69.1	135.7	178.4	-53.8	-179.1	0	0	0	110.8	L178 D180 L183 I199 N202 P208 L220 N223 S224 I225	L178-L204 HydrophobicContact CB-CD2 4.36Å; D180-L204 WeakPolarHBondContact OD1-CA 3.34Å; L183-L204 HydrophobicContact CD1-CD1 3.73Å; L183-L204 HydrophobicContact CD1-CD2 3.61Å; L183-L204 HydrophobicContact CD1-CG 4.34Å; L183-L204 HydrophobicContact CG-CD2 4.34Å; I199-L204 HydrophobicContact CG2-CD1 4.06Å; N202-L204 HydrophobicContact CB-CG 4.29Å; L204-P208 HydrophobicContact CD1-CG 4.32Å; L204-L220 HydrophobicContact CD1-CD2 4.11Å; L204-N223 HydrophobicContact CB-CB 4.24Å; L204-N223 WeakPolarHBondContact CB-OD1 3.19Å; L204-N223 WeakPolarHBondContact CG-OD1 3.32Å; L204-N223 PolarHBondContact N-OD1 3.15Å; L204-S224 CarbonylContact O-C 3.27Å; L204-S224 VanDerWaalsContact O-C 3.27Å; L204-S224 VanDerWaalsContact O-CA 3.29Å; L204-S224 WeakPolarHBondContact O-CA 3.18Å; L204-S224 PolarHBondContact O-N 3.24Å; L204-I225 HydrophobicContact CB-CG1 4.44Å; L204-I225 PolarHBondContact O-N 3.45Å
205	K	98.2	Very high	97.8	Very high	126 Å²	126	41.7 Å²	41.7	55%	0.548	22%	0.22	S	C	.	.	S	Bend	trans	-105.3	-13.1	173.1	-60.9	-178.9	-177.5	178.6	0	112.7	D180 S224 I225 E226	D180-K205 PolarHBondContact OD1-N 3.11Å; K205-S224 WeakPolarHBondContact CA-O 3.38Å; K205-I225 WeakPolarHBondContact O-CA 3.45Å; K205-E226 PolarHBondContact O-N 3Å
206	K	98.1	Very high	97.8	Very high	133 Å²	133	39.6 Å²	39.6	58%	0.578	21%	0.21	S	C	*	.	B	Isolated β-bridge	trans	-127.9	157	-179.1	-62.7	173.7	-171.9	176.8	0	110.7	D180	D180-K206 PolarHBondContact OD1-N 2.75Å; D180-K206 WeakPolarHBondContact OD2-CD 3.25Å; D180-K206 WeakPolarHBondContact OD2-CG 3.35Å
207	M	97.9	Very high	97.8	Very high	5 Å²	5	40.8 Å²	40.8	3%	0.025	22%	0.216	C	C	.	.			trans	-58.1	138.1	161.6	-64.6	-62.9	-68.6	0	0	109.4	L209 L220 I225 I228 P229 Y232 L244	M207-L209 PolarHBondContact O-N 3.44Å; M207-L220 HydrophobicContact CE-CD1 3.63Å; M207-L220 HydrophobicContact SD-CD1 3.93Å; M207-I225 HydrophobicContact CG-CG2 4.13Å; M207-I225 HydrophobicContact SD-CD1 4.01Å; M207-I225 HydrophobicContact SD-CG2 3.93Å; M207-I228 HydrophobicContact CG-CB 4.39Å; M207-I228 HydrophobicContact CG-CG1 4.01Å; M207-I228 HydrophobicContact SD-CG1 4.13Å; M207-P229 HydrophobicContact CB-CG 4.47Å; M207-Y232 HydrophobicContact CB-CD2 4.37Å; M207-Y232 HydrophobicContact CB-CE1 4.4Å; M207-Y232 HydrophobicContact CB-CE2 3.82Å; M207-Y232 HydrophobicContact CE-CD1 3.89Å; M207-Y232 HydrophobicContact CE-CE1 3.32Å; M207-L244 HydrophobicContact SD-CD2 3.89Å
208	P	97	Very high	97.8	Very high	5 Å²	5	40.8 Å²	40.8	3%	0.032	22%	0.216	C	C	.	.			trans	-57.4	137.1	176.5	-25.5	35.3	0	0	0	111.5	L183 I199 L204 S210 I211 L220 Y232	L183-P208 HydrophobicContact CD1-CB 3.97Å; L183-P208 HydrophobicContact CD1-CG 3.84Å; I199-P208 HydrophobicContact CD1-CG 4.38Å; L204-P208 HydrophobicContact CD1-CG 4.32Å; P208-S210 PolarHBondContact O-N 3.26Å; P208-S210 VanDerWaalsContact O-N 3.17Å; P208-I211 HydrophobicContact CB-CD1 3.84Å; P208-I211 HydrophobicContact CB-CG1 4.36Å; P208-I211 HydrophobicContact CG-CD1 4.04Å; P208-L220 HydrophobicContact CG-CD2 4.07Å; P208-Y232 WeakPolarHBondContact O-CE2 3.46Å; P208-Y232 PolarHBondContact O-OH 3.41Å
209	L	93.7	Very high	97.8	Very high	121 Å²	121	40.9 Å²	40.9	63%	0.634	22%	0.215	S	C	*	.	S	Bend	trans	-62.7	-26.4	-172.3	-66.3	176.4	0	0	0	114.1	M207	M207-L209 PolarHBondContact O-N 3.44Å
210	S	93.2	Very high	97.8	Very high	40 Å²	40	40.9 Å²	40.9	28%	0.28	22%	0.215	S	C	.	.			trans	-143.5	143.4	-179	-177.2	0	0	0	0	108.7	S185 F188 P208	S185-S210 WeakPolarHBondContact O-CB 3.36Å; S185-S210 PolarHBondContact O-OG 2.83Å; S185-S210 VanDerWaalsContact O-OG 3.12Å; F188-S210 WeakPolarHBondContact CD2-O 3.42Å; P208-S210 PolarHBondContact O-N 3.26Å; P208-S210 VanDerWaalsContact O-N 3.17Å
211	I	97.4	Very high	97.8	Very high	7 Å²	7	41.7 Å²	41.7	4%	0.036	22%	0.219	C	C	.	.			trans	-142.8	138.9	176.2	-64	-71.4	0	0	0	106	F188 L197 P208 A213 T215 L218 Y232 I236	F188-I211 HydrophobicContact CE2-CD1 4.46Å; L197-I211 HydrophobicContact CD2-CD1 3.59Å; L197-I211 HydrophobicContact CD2-CG2 4.31Å; P208-I211 HydrophobicContact CB-CD1 3.84Å; P208-I211 HydrophobicContact CB-CG1 4.36Å; P208-I211 HydrophobicContact CG-CD1 4.04Å; I211-A213 PolarHBondContact O-N 3.23Å; I211-T215 HydrophobicContact CG2-CG2 4.26Å; I211-T215 WeakPolarHBondContact CG2-OG1 3.44Å; I211-L218 HydrophobicContact CD1-CD1 3.97Å; I211-L218 HydrophobicContact CG1-CD2 4.45Å; I211-Y232 WeakPolarHBondContact CG1-OH 3.34Å; I211-I236 HydrophobicContact CB-CG2 3.57Å; I211-I236 HydrophobicContact CG2-CG2 3.57Å
212	P	97.3	Very high	97.8	Very high	14 Å²	14	40.3 Å²	40.3	9%	0.091	22%	0.216	C	C	.	.			trans	-59.4	130.5	-179.5	-28.2	38.2	0	0	0	112.6	F188 L191 L194 N214 T215	F188-P212 HydrophobicContact CB-CG 3.8Å; L191-P212 HydrophobicContact CB-CB 4.45Å; L191-P212 HydrophobicContact CB-CG 3.81Å; L191-P212 WeakPolarHBondContact O-CB 3.43Å; L194-P212 HydrophobicContact CB-CB 4.07Å; L194-P212 HydrophobicContact CB-CG 4.16Å; L194-P212 HydrophobicContact CD2-CB 4.48Å; L194-P212 HydrophobicContact CD2-CG 3.81Å; P212-N214 PolarHBondContact O-N 2.95Å; P212-T215 VanDerWaalsContact O-CB 3.28Å; P212-T215 WeakPolarHBondContact O-CB 3.31Å; P212-T215 PolarHBondContact O-N 2.89Å; P212-T215 PolarHBondContact O-OG1 2.95Å
213	A	96.4	Very high	97.8	Very high	53 Å²	53	40.4 Å²	40.4	44%	0.438	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-17.5	-172.4	0	0	0	0	0	115.1	I211	I211-A213 PolarHBondContact O-N 3.23Å
214	N	97.4	Very high	97.8	Very high	55 Å²	55	39.1 Å²	39.1	29%	0.294	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-1.8	176.3	-79	-37	0	0	0	114.5	S192 L194 P212 L216 K238	S192-N214 PolarHBondContact O-ND2 3.18Å; L194-N214 CarbonylContact O-C 3.58Å; P212-N214 PolarHBondContact O-N 2.95Å; N214-L216 PolarHBondContact O-N 3.17Å; N214-K238 VanDerWaalsContact OD1-CE 3.28Å; N214-K238 WeakPolarHBondContact OD1-CE 3.27Å; N214-K238 PolarHBondContact OD1-NZ 2.97Å
215	T	98.6	Very high	97.8	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.207	C	C	.	.			trans	-59.5	125.7	-180	-55.4	0	0	0	0	110.6	L194 L197 I211 P212 Q217 L218 K238 V239	L194-T215 WeakPolarHBondContact O-CA 3.46Å; L194-T215 PolarHBondContact O-N 3.48Å; L194-T215 VanDerWaalsContact O-N 3.12Å; L197-T215 HydrophobicContact CB-CG2 4.25Å; I211-T215 HydrophobicContact CG2-CG2 4.26Å; I211-T215 WeakPolarHBondContact CG2-OG1 3.44Å; P212-T215 VanDerWaalsContact O-CB 3.28Å; P212-T215 WeakPolarHBondContact O-CB 3.31Å; P212-T215 PolarHBondContact O-N 2.89Å; P212-T215 PolarHBondContact O-OG1 2.95Å; T215-Q217 WeakPolarHBondContact CG2-O 3.47Å; T215-L218 HydrophobicContact CG2-CB 4.31Å; T215-K238 CarbonylContact O-C 3.31Å; T215-K238 VanDerWaalsContact O-C 3.31Å; T215-V239 HydrophobicContact CG2-CG2 4.29Å; T215-V239 WeakPolarHBondContact O-CA 3.44Å; T215-V239 VanDerWaalsContact O-CG2 3.24Å; T215-V239 WeakPolarHBondContact O-CG2 3.38Å; T215-V239 PolarHBondContact O-N 2.85Å
216	L	98.8	Very high	97.8	Very high	50 Å²	50	37.3 Å²	37.3	26%	0.262	20%	0.201	S	C	.	.	S	Bend	trans	-100.7	-33.9	175.3	-56.6	-176.2	0	0	0	111.8	M195 N214 K238 T240 F241	M195-L216 HydrophobicContact CB-CD1 4.49Å; M195-L216 HydrophobicContact CB-CG 4.46Å; M195-L216 HydrophobicContact CE-CD1 3.6Å; M195-L216 WeakPolarHBondContact O-CA 3.47Å; M195-L216 PolarHBondContact O-N 3.18Å; N214-L216 PolarHBondContact O-N 3.17Å; L216-K238 HydrophobicContact CD2-CB 3.7Å; L216-K238 HydrophobicContact CD2-CD 4.49Å; L216-K238 WeakPolarHBondContact CD2-O 3.37Å; L216-T240 PolarHBondContact O-N 3.31Å; L216-F241 PolarHBondContact O-N 2.95Å
217	Q	98.9	Very high	97.8	Very high	62 Å²	62	35 Å²	35	29%	0.29	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	116	-177.1	-60.2	-177.8	30.8	0	0	109.4	M195 Q196 L197 T215 F219 F241	M195-Q217 PolarHBondContact O-N 2.85Å; Q196-Q217 WeakPolarHBondContact CA-O 3.12Å; Q196-Q217 HydrophobicContact CB-CB 4.18Å; Q196-Q217 HydrophobicContact CG-CB 4.01Å; L197-Q217 PolarHBondContact N-O 2.93Å; T215-Q217 WeakPolarHBondContact CG2-O 3.47Å; Q217-F219 HydrophobicContact CB-CE1 4.12Å; Q217-F219 HydrophobicContact CB-CZ 3.91Å; Q217-F219 HydrophobicContact CG-CZ 4.44Å; Q217-F241 HydrophobicContact CG-CB 4.2Å; Q217-F241 HydrophobicContact CG-CD2 3.88Å; Q217-F241 HydrophobicContact CG-CG 4.34Å
218	L	98.9	Very high	97.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	113	178.6	179.5	57.7	0	0	0	109.6	L197 I211 T215 L220 I236 V239 F241 L242 R243	L197-L218 HydrophobicContact CB-CD1 4.32Å; L197-L218 HydrophobicContact CD2-CD1 4.46Å; L197-L218 HydrophobicContact CG-CD1 4.34Å; I211-L218 HydrophobicContact CD1-CD1 3.97Å; I211-L218 HydrophobicContact CG1-CD2 4.45Å; T215-L218 HydrophobicContact CG2-CB 4.31Å; L218-L220 HydrophobicContact CD1-CD1 4.24Å; L218-L220 HydrophobicContact CD1-CG 4.13Å; L218-L220 HydrophobicContact CD2-CD1 4.01Å; L218-L220 HydrophobicContact CG-CD1 4Å; L218-L220 HydrophobicContact CG-CG 4.17Å; L218-I236 HydrophobicContact CD2-CD1 4.25Å; L218-V239 HydrophobicContact CB-CG1 4.41Å; L218-V239 HydrophobicContact CB-CG2 4.46Å; L218-F241 PolarHBondContact N-O 3.36Å; L218-L242 HydrophobicContact CB-CD1 4.13Å; L218-L242 HydrophobicContact CD2-CD1 4.01Å; L218-L242 HydrophobicContact CG-CD1 4.11Å; L218-R243 PolarHBondContact O-N 2.92Å
219	F	98.9	Very high	97.7	Very high	20 Å²	20	37.5 Å²	37.5	9%	0.088	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	115.4	-179.5	-51.8	-33.6	0	0	0	110.5	Q196 L197 N198 I199 A200 Q217 R243	Q196-F219 HydrophobicContact CG-CE2 4.33Å; L197-F219 PolarHBondContact O-N 2.96Å; N198-F219 HydrophobicContact CB-CB 4.37Å; N198-F219 HydrophobicContact CB-CD2 4.05Å; N198-F219 WeakPolarHBondContact OD1-CB 3.47Å; I199-F219 CarbonylContact C-O 3.31Å; I199-F219 PolarHBondContact N-O 3.37Å; A200-F219 HydrophobicContact CB-CB 4.49Å; A200-F219 PolarHBondContact N-O 2.98Å; Q217-F219 HydrophobicContact CB-CE1 4.12Å; Q217-F219 HydrophobicContact CB-CZ 3.91Å; Q217-F219 HydrophobicContact CG-CZ 4.44Å; F219-R243 HydrophobicContact CD1-CB 3.95Å; F219-R243 HydrophobicContact CD1-CG 3.72Å; F219-R243 HydrophobicContact CE1-CG 4.08Å
220	L	98.9	Very high	97.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.217	C	C	.	.			trans	-126.9	16.9	-178.2	-68.6	168.7	0	0	0	111.4	I199 L204 M207 P208 L218 N223 I225 R243 L244 N247	I199-L220 HydrophobicContact CB-CD2 4.21Å; L204-L220 HydrophobicContact CD1-CD2 4.11Å; M207-L220 HydrophobicContact CE-CD1 3.63Å; M207-L220 HydrophobicContact SD-CD1 3.93Å; P208-L220 HydrophobicContact CG-CD2 4.07Å; L218-L220 HydrophobicContact CD1-CD1 4.24Å; L218-L220 HydrophobicContact CD1-CG 4.13Å; L218-L220 HydrophobicContact CD2-CD1 4.01Å; L218-L220 HydrophobicContact CG-CD1 4Å; L218-L220 HydrophobicContact CG-CG 4.17Å; L220-N223 PolarHBondContact O-ND2 3Å; L220-I225 HydrophobicContact CB-CD1 4.05Å; L220-I225 HydrophobicContact CD1-CD1 4.2Å; L220-I225 HydrophobicContact CD2-CD1 4.44Å; L220-I225 HydrophobicContact CG-CD1 4.47Å; L220-R243 WeakPolarHBondContact CA-O 3.35Å; L220-R243 PolarHBondContact N-O 3.3Å; L220-L244 HydrophobicContact CB-CD2 3.76Å; L220-L244 HydrophobicContact CD1-CD2 3.98Å; L220-N247 PolarHBondContact O-ND2 2.96Å
221	D	98.9	Very high	97.7	Very high	20 Å²	20	42.9 Å²	42.9	11%	0.107	24%	0.235	C	C	.	.			trans	-53.1	151.9	178.6	-55.1	-85.3	0	0	0	112.8	A200 K201 N223 R243 N245	A200-D221 CarbonylContact C-O 3.32Å; A200-D221 WeakPolarHBondContact CA-O 3.33Å; A200-D221 HydrophobicContact CB-CB 3.86Å; A200-D221 VanDerWaalsContact CB-O 3.29Å; A200-D221 WeakPolarHBondContact CB-O 3.28Å; K201-D221 PolarHBondContact N-O 2.96Å; D221-N223 PolarHBondContact O-N 3Å; D221-N223 PolarHBondContact O-ND2 3.01Å; D221-R243 WeakPolarHBondContact OD1-CB 3.41Å; D221-R243 WeakPolarHBondContact OD2-CB 3.24Å; D221-N245 CarbonylContact C-O 3.51Å; D221-N245 WeakPolarHBondContact CA-O 3.3Å; D221-N245 VanDerWaalsContact OD1-CB 3.25Å; D221-N245 WeakPolarHBondContact OD1-CB 3.41Å; D221-N245 PolarHBondContact OD1-N 2.96Å; D221-N245 PolarHBondContact OD1-ND2 3.33Å
222	N	98.8	Very high	97.6	Very high	61 Å²	61	43.4 Å²	43.4	33%	0.326	24%	0.237	S	C	.	.	S	Bend	trans	53.7	55.4	174.3	-62.8	-86.2	0	0	0	112.3	K201 N245 Y246	K201-N222 WeakPolarHBondContact CA-O 3.48Å; K201-N222 HydrophobicContact CB-CB 4.34Å; K201-N222 HydrophobicContact CG-CB 3.57Å; K201-N222 PolarHBondContact N-O 3.01Å; N222-N245 PolarHBondContact N-O 3.39Å; N222-Y246 WeakPolarHBondContact CA-O 3.27Å; N222-Y246 PolarHBondContact N-O 2.82Å; N222-Y246 WeakPolarHBondContact OD1-CB 3.49Å
223	N	98.9	Very high	97.6	Very high	13 Å²	13	43.4 Å²	43.4	7%	0.07	24%	0.236	C	C	.	.	S	Bend	trans	-121.5	-159.6	169.4	-83.1	-78.9	0	0	0	108	I199 N202 S203 L204 L220 D221 I225 Y246 N247	I199-N223 PolarHBondContact O-ND2 3.24Å; I199-N223 VanDerWaalsContact O-ND2 3.16Å; N202-N223 WeakPolarHBondContact CA-OD1 3.24Å; N202-N223 WeakPolarHBondContact CB-OD1 3.4Å; N202-N223 PolarHBondContact N-OD1 3Å; N202-N223 PolarHBondContact O-OD1 2.86Å; S203-N223 PolarHBondContact N-OD1 3.12Å; L204-N223 HydrophobicContact CB-CB 4.24Å; L204-N223 WeakPolarHBondContact CB-OD1 3.19Å; L204-N223 WeakPolarHBondContact CG-OD1 3.32Å; L204-N223 PolarHBondContact N-OD1 3.15Å; L220-N223 PolarHBondContact O-ND2 3Å; D221-N223 PolarHBondContact O-N 3Å; D221-N223 PolarHBondContact O-ND2 3.01Å; N223-I225 HydrophobicContact CB-CD1 4.33Å; N223-I225 HydrophobicContact CB-CG1 4.06Å; N223-Y246 PolarHBondContact N-O 3.38Å; N223-N247 WeakPolarHBondContact CA-OD1 3.33Å; N223-N247 WeakPolarHBondContact CB-OD1 3.16Å; N223-N247 PolarHBondContact N-OD1 2.8Å
224	S	98.7	Very high	97.5	Very high	35 Å²	35	45.1 Å²	45.1	25%	0.245	24%	0.244	C	C	.	.			trans	-124.3	33.8	173.7	-80.9	0	0	0	0	111.2	L204 K205 E226 N247 K248	L204-S224 CarbonylContact O-C 3.27Å; L204-S224 VanDerWaalsContact O-C 3.27Å; L204-S224 VanDerWaalsContact O-CA 3.29Å; L204-S224 WeakPolarHBondContact O-CA 3.18Å; L204-S224 PolarHBondContact O-N 3.24Å; K205-S224 WeakPolarHBondContact CA-O 3.38Å; S224-E226 PolarHBondContact O-N 3.18Å; S224-N247 PolarHBondContact N-OD1 3.48Å; S224-K248 WeakPolarHBondContact OG-CE 3.33Å; S224-K248 PolarHBondContact OG-NZ 2.99Å
225	I	98.8	Very high	97.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.253	C	S	.	.			trans	-67.2	120.7	-177.1	-58.1	173.7	0	0	0	109.5	L204 K205 M207 L220 N223 L244 N247 K248 L249	L204-I225 HydrophobicContact CB-CG1 4.44Å; L204-I225 PolarHBondContact O-N 3.45Å; K205-I225 WeakPolarHBondContact O-CA 3.45Å; M207-I225 HydrophobicContact CG-CG2 4.13Å; M207-I225 HydrophobicContact SD-CD1 4.01Å; M207-I225 HydrophobicContact SD-CG2 3.93Å; L220-I225 HydrophobicContact CB-CD1 4.05Å; L220-I225 HydrophobicContact CD1-CD1 4.2Å; L220-I225 HydrophobicContact CD2-CD1 4.44Å; L220-I225 HydrophobicContact CG-CD1 4.47Å; N223-I225 HydrophobicContact CB-CD1 4.33Å; N223-I225 HydrophobicContact CB-CG1 4.06Å; I225-L244 HydrophobicContact CD1-CD2 4.01Å; I225-N247 HydrophobicContact CB-CB 4.39Å; I225-N247 WeakPolarHBondContact CB-OD1 3.35Å; I225-N247 WeakPolarHBondContact CG1-OD1 3.29Å; I225-N247 PolarHBondContact N-OD1 3.07Å; I225-K248 CarbonylContact O-C 3.33Å; I225-K248 WeakPolarHBondContact O-CA 3.05Å; I225-K248 PolarHBondContact O-N 2.99Å; I225-L249 HydrophobicContact CG2-CD2 4.14Å; I225-L249 PolarHBondContact O-N 3.03Å
226	E	98.3	Very high	97.2	Very high	90 Å²	90	46.3 Å²	46.3	42%	0.421	25%	0.253	S	S	.	.			trans	-102.5	-30.1	-177	-74	165.5	-161.7	0	0	112.4	K205 S224 K248 G253	K205-E226 PolarHBondContact O-N 3Å; S224-E226 PolarHBondContact O-N 3.18Å; E226-K248 HydrophobicContact CG-CB 3.52Å; E226-K248 HydrophobicContact CG-CD 3.79Å; E226-K248 HydrophobicContact CG-CG 4.37Å; E226-K248 WeakPolarHBondContact OE1-CD 3.4Å; E226-K248 IonicContact OE1-NZ 3.6Å; E226-K248 PolarHBondContact OE1-NZ 3.42Å; E226-G253 WeakPolarHBondContact O-CA 3.13Å
227	V	97.8	Very high	97.1	Very high	84 Å²	84	47.4 Å²	47.4	51%	0.509	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-139.2	138.4	-173.3	-175.7	0	0	0	0	112.1	G253	V227-G253 WeakPolarHBondContact CA-O 3.42Å
228	I	97.7	Very high	97.1	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.015	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-99.1	126.1	168.1	-64.8	169.7	0	0	0	108.8	M207 F233 L244 L249 G253 P255 F259	M207-I228 HydrophobicContact CG-CB 4.39Å; M207-I228 HydrophobicContact CG-CG1 4.01Å; M207-I228 HydrophobicContact SD-CG1 4.13Å; I228-F233 HydrophobicContact CG2-CE2 4Å; I228-F233 HydrophobicContact CG2-CZ 4.47Å; I228-L244 HydrophobicContact CD1-CD1 4.18Å; I228-L249 HydrophobicContact CD1-CD1 4.23Å; I228-L249 HydrophobicContact CD1-CD2 4.18Å; I228-L249 HydrophobicContact CG1-CD2 3.97Å; I228-G253 PolarHBondContact N-O 2.92Å; I228-P255 HydrophobicContact CG2-CG 4.47Å; I228-P255 WeakPolarHBondContact O-CD 3.17Å; I228-F259 HydrophobicContact CD1-CE1 3.89Å; I228-F259 HydrophobicContact CD1-CE2 4.06Å; I228-F259 HydrophobicContact CD1-CZ 3.31Å
229	P	96.2	Very high	97.1	Very high	59 Å²	59	49.4 Å²	49.4	38%	0.383	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-61.4	151.7	177.2	-24.3	34.4	0	0	0	113.5	M207 Y232	M207-P229 HydrophobicContact CB-CG 4.47Å; P229-Y232 HydrophobicContact CB-CD2 4.24Å; P229-Y232 HydrophobicContact CG-CD2 3.92Å; P229-Y232 WeakPolarHBondContact O-CB 3.48Å; P229-Y232 PolarHBondContact O-N 2.79Å
230	E	94.2	Very high	97.1	Very high	150 Å²	150	49.9 Å²	49.9	70%	0.701	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	141.8	170.5	-69.9	-164.2	162.7	0	0	111.4	Y232 P255	E230-Y232 PolarHBondContact O-N 3.45Å; E230-P255 HydrophobicContact CG-CB 4.14Å
231	N	92.5	Very high	97.1	Very high	125 Å²	125	53.9 Å²	53.9	67%	0.668	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	14.4	178.5	-53.2	-55.6	0	0	0	115.4	F233 S234	N231-F233 VanDerWaalsContact C-N 3.31Å; N231-F233 PolarHBondContact O-N 2.84Å; N231-F233 VanDerWaalsContact O-N 3.16Å; N231-S234 VanDerWaalsContact O-CB 3.27Å; N231-S234 WeakPolarHBondContact O-CB 3.49Å; N231-S234 PolarHBondContact O-N 2.99Å; N231-S234 PolarHBondContact O-OG 3.45Å
232	Y	95.8	Very high	97.1	Very high	18 Å²	18	53 Å²	53	7%	0.071	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-48.1	-49.6	-174.4	-173.4	-101.9	0	0	0	113.2	M207 P208 I211 P229 E230 S234 T235 I236	M207-Y232 HydrophobicContact CB-CD2 4.37Å; M207-Y232 HydrophobicContact CB-CE1 4.4Å; M207-Y232 HydrophobicContact CB-CE2 3.82Å; M207-Y232 HydrophobicContact CE-CD1 3.89Å; M207-Y232 HydrophobicContact CE-CE1 3.32Å; P208-Y232 WeakPolarHBondContact O-CE2 3.46Å; P208-Y232 PolarHBondContact O-OH 3.41Å; I211-Y232 WeakPolarHBondContact CG1-OH 3.34Å; P229-Y232 HydrophobicContact CB-CD2 4.24Å; P229-Y232 HydrophobicContact CG-CD2 3.92Å; P229-Y232 WeakPolarHBondContact O-CB 3.48Å; P229-Y232 PolarHBondContact O-N 2.79Å; E230-Y232 PolarHBondContact O-N 3.45Å; Y232-S234 PolarHBondContact O-N 3.4Å; Y232-S234 VanDerWaalsContact O-N 3.16Å; Y232-T235 PolarHBondContact O-N 3.26Å; Y232-T235 VanDerWaalsContact O-N 3.17Å; Y232-T235 PolarHBondContact O-OG1 2.85Å; Y232-I236 HydrophobicContact CD1-CD1 3.88Å; Y232-I236 HydrophobicContact CE1-CD1 3.52Å
233	F	96.1	Very high	97.1	Very high	14 Å²	14	54.4 Å²	54.4	6%	0.061	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-69.8	-10.5	-177.2	-58.3	-73.8	0	0	0	115.1	I228 N231 T235 I236 L242 G258 F259 V261 I264	I228-F233 HydrophobicContact CG2-CE2 4Å; I228-F233 HydrophobicContact CG2-CZ 4.47Å; N231-F233 VanDerWaalsContact C-N 3.31Å; N231-F233 PolarHBondContact O-N 2.84Å; N231-F233 VanDerWaalsContact O-N 3.16Å; F233-T235 PolarHBondContact O-N 2.88Å; F233-I236 HydrophobicContact CB-CG1 4.46Å; F233-I236 HydrophobicContact CD1-CD1 3.71Å; F233-I236 HydrophobicContact CD1-CG1 4.03Å; F233-I236 HydrophobicContact CE1-CD1 4.12Å; F233-I236 CarbonylContact O-C 3.37Å; F233-I236 PolarHBondContact O-N 2.85Å; F233-L242 HydrophobicContact CE1-CD1 4.47Å; F233-L242 HydrophobicContact CE1-CD2 3.5Å; F233-L242 HydrophobicContact CZ-CD2 3.51Å; F233-G258 WeakPolarHBondContact CD2-O 3.36Å; F233-G258 WeakPolarHBondContact CE2-O 3.25Å; F233-F259 HydrophobicContact CE2-CD1 4.23Å; F233-F259 HydrophobicContact CE2-CE1 4.13Å; F233-F259 HydrophobicContact CZ-CD1 4.46Å; F233-F259 HydrophobicContact CZ-CE1 4.07Å; F233-V261 HydrophobicContact CB-CG1 4.11Å; F233-V261 HydrophobicContact CB-CG2 3.63Å; F233-V261 HydrophobicContact CD2-CG2 3.86Å; F233-V261 HydrophobicContact CG-CG2 3.86Å; F233-I264 HydrophobicContact CD1-CD1 4.34Å; F233-I264 HydrophobicContact CE1-CD1 4.41Å
234	S	94.1	Very high	97.1	Very high	89 Å²	89	53.8 Å²	53.8	62%	0.622	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-66.1	-25.8	171.1	70.3	0	0	0	0	112.8	N231 Y232	N231-S234 VanDerWaalsContact O-CB 3.27Å; N231-S234 WeakPolarHBondContact O-CB 3.49Å; N231-S234 PolarHBondContact O-N 2.99Å; N231-S234 PolarHBondContact O-OG 3.45Å; Y232-S234 PolarHBondContact O-N 3.4Å; Y232-S234 VanDerWaalsContact O-N 3.16Å
235	T	94.3	Very high	97.1	Very high	79 Å²	79	52.7 Å²	52.7	49%	0.485	28%	0.278	S	S	.	.	S	Bend	trans	-82	-18.3	177.5	67.6	0	0	0	0	113.3	Y232 F233 P237	Y232-T235 PolarHBondContact O-N 3.26Å; Y232-T235 VanDerWaalsContact O-N 3.17Å; Y232-T235 PolarHBondContact O-OG1 2.85Å; F233-T235 PolarHBondContact O-N 2.88Å; T235-P237 VanDerWaalsContact C-CD 3.41Å; T235-P237 WeakPolarHBondContact O-CD 3.42Å
236	I	96.4	Very high	97.1	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.298	C	S	.	.			trans	-126.7	59.1	-177.6	49.4	-179.2	0	0	0	111.3	I211 L218 Y232 F233 K238 V239	I211-I236 HydrophobicContact CB-CG2 3.57Å; I211-I236 HydrophobicContact CG2-CG2 3.57Å; L218-I236 HydrophobicContact CD2-CD1 4.25Å; Y232-I236 HydrophobicContact CD1-CD1 3.88Å; Y232-I236 HydrophobicContact CE1-CD1 3.52Å; F233-I236 HydrophobicContact CB-CG1 4.46Å; F233-I236 HydrophobicContact CD1-CD1 3.71Å; F233-I236 HydrophobicContact CD1-CG1 4.03Å; F233-I236 HydrophobicContact CE1-CD1 4.12Å; F233-I236 CarbonylContact O-C 3.37Å; F233-I236 PolarHBondContact O-N 2.85Å; I236-K238 PolarHBondContact O-N 3.42Å; I236-V239 HydrophobicContact CB-CG2 3.97Å; I236-V239 HydrophobicContact CD1-CG2 4.09Å; I236-V239 HydrophobicContact CG1-CG2 4.25Å; I236-V239 PolarHBondContact O-N 3.01Å
237	P	96.6	Very high	97.1	Very high	74 Å²	74	54.2 Å²	54.2	48%	0.481	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-12.8	-166.5	27.9	-37.3	0	0	0	114.4	T235 S263	T235-P237 VanDerWaalsContact C-CD 3.41Å; T235-P237 WeakPolarHBondContact O-CD 3.42Å; P237-S263 WeakPolarHBondContact O-CB 3.34Å; P237-S263 PolarHBondContact O-OG 3.35Å
238	K	98.1	Very high	97.1	Very high	103 Å²	103	53.7 Å²	53.7	45%	0.448	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-3.2	-178	-55.8	-165.6	-177.7	173.2	0	115.2	N214 T215 L216 I236 T240	N214-K238 VanDerWaalsContact OD1-CE 3.28Å; N214-K238 WeakPolarHBondContact OD1-CE 3.27Å; N214-K238 PolarHBondContact OD1-NZ 2.97Å; T215-K238 CarbonylContact O-C 3.31Å; T215-K238 VanDerWaalsContact O-C 3.31Å; L216-K238 HydrophobicContact CD2-CB 3.7Å; L216-K238 HydrophobicContact CD2-CD 4.49Å; L216-K238 WeakPolarHBondContact CD2-O 3.37Å; I236-K238 PolarHBondContact O-N 3.42Å; K238-T240 PolarHBondContact O-N 2.96Å; K238-T240 VanDerWaalsContact O-N 3.1Å; K238-T240 PolarHBondContact O-OG1 3.01Å
239	V	98.6	Very high	97.2	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.006	27%	0.271	C	S	.	.			trans	-61.3	119.5	-178	168.3	0	0	0	0	110.3	T215 L218 I236 L242 S263 I264	T215-V239 HydrophobicContact CG2-CG2 4.29Å; T215-V239 WeakPolarHBondContact O-CA 3.44Å; T215-V239 VanDerWaalsContact O-CG2 3.24Å; T215-V239 WeakPolarHBondContact O-CG2 3.38Å; T215-V239 PolarHBondContact O-N 2.85Å; L218-V239 HydrophobicContact CB-CG1 4.41Å; L218-V239 HydrophobicContact CB-CG2 4.46Å; I236-V239 HydrophobicContact CB-CG2 3.97Å; I236-V239 HydrophobicContact CD1-CG2 4.09Å; I236-V239 HydrophobicContact CG1-CG2 4.25Å; I236-V239 PolarHBondContact O-N 3.01Å; V239-L242 HydrophobicContact CG1-CB 4.13Å; V239-S263 CarbonylContact O-C 3.23Å; V239-S263 VanDerWaalsContact O-C 3.23Å; V239-S263 WeakPolarHBondContact O-CB 3.22Å; V239-S263 PolarHBondContact O-OG 3.04Å; V239-I264 WeakPolarHBondContact O-CG1 3.48Å; V239-I264 PolarHBondContact O-N 3.37Å
240	T	98.8	Very high	97.3	Very high	29 Å²	29	52.6 Å²	52.6	18%	0.178	27%	0.266	C	S	.	.			trans	-109.2	-38.7	-173.1	-52.2	0	0	0	0	111.5	L216 K238 S263 L265 D266	L216-T240 PolarHBondContact O-N 3.31Å; K238-T240 PolarHBondContact O-N 2.96Å; K238-T240 VanDerWaalsContact O-N 3.1Å; K238-T240 PolarHBondContact O-OG1 3.01Å; T240-S263 WeakPolarHBondContact CA-O 3.42Å; T240-L265 HydrophobicContact CG2-CB 4.11Å; T240-L265 HydrophobicContact CG2-CD1 3.77Å; T240-L265 HydrophobicContact CG2-CG 3.86Å; T240-L265 PolarHBondContact O-N 3.29Å; T240-D266 PolarHBondContact O-N 2.76Å
241	F	98.9	Very high	97.3	Very high	85 Å²	85	47 Å²	47	37%	0.373	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	112.3	177.8	-57.4	-93.9	0	0	0	108.6	L216 Q217 L218 D266	L216-F241 PolarHBondContact O-N 2.95Å; Q217-F241 HydrophobicContact CG-CB 4.2Å; Q217-F241 HydrophobicContact CG-CD2 3.88Å; Q217-F241 HydrophobicContact CG-CG 4.34Å; L218-F241 PolarHBondContact N-O 3.36Å; F241-D266 HydrophobicContact CD1-CB 3.53Å; F241-D266 HydrophobicContact CE1-CB 4.05Å; F241-D266 HydrophobicContact CG-CB 4.39Å
242	L	98.9	Very high	97.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	119.9	-179.9	179.2	61.4	0	0	0	110.4	L218 F233 V239 L244 F259 I264 D266 L267 Q268	L218-L242 HydrophobicContact CB-CD1 4.13Å; L218-L242 HydrophobicContact CD2-CD1 4.01Å; L218-L242 HydrophobicContact CG-CD1 4.11Å; F233-L242 HydrophobicContact CE1-CD1 4.47Å; F233-L242 HydrophobicContact CE1-CD2 3.5Å; F233-L242 HydrophobicContact CZ-CD2 3.51Å; V239-L242 HydrophobicContact CG1-CB 4.13Å; L242-L244 HydrophobicContact CD1-CD1 4.15Å; L242-L244 HydrophobicContact CD1-CG 4.27Å; L242-L244 HydrophobicContact CD2-CD1 3.88Å; L242-L244 HydrophobicContact CG-CD1 3.99Å; L242-L244 HydrophobicContact CG-CG 4.37Å; L242-F259 HydrophobicContact CD2-CD1 4.4Å; L242-F259 HydrophobicContact CD2-CE1 3.86Å; L242-I264 HydrophobicContact CB-CD1 4.47Å; L242-I264 HydrophobicContact CB-CG2 4.46Å; L242-I264 HydrophobicContact CD2-CD1 3.95Å; L242-D266 PolarHBondContact N-O 2.9Å; L242-L267 HydrophobicContact CB-CD1 4.27Å; L242-L267 HydrophobicContact CD2-CD1 3.91Å; L242-L267 HydrophobicContact CG-CD1 4.21Å; L242-Q268 PolarHBondContact O-N 3.28Å
243	R	98.9	Very high	97.6	Very high	91 Å²	91	48 Å²	48	34%	0.343	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	122.3	175.6	-61.4	-169	171.3	152	0.2	112.2	L218 F219 L220 D221 Q268	L218-R243 PolarHBondContact O-N 2.92Å; F219-R243 HydrophobicContact CD1-CB 3.95Å; F219-R243 HydrophobicContact CD1-CG 3.72Å; F219-R243 HydrophobicContact CE1-CG 4.08Å; L220-R243 WeakPolarHBondContact CA-O 3.35Å; L220-R243 PolarHBondContact N-O 3.3Å; D221-R243 WeakPolarHBondContact OD1-CB 3.41Å; D221-R243 WeakPolarHBondContact OD2-CB 3.24Å; R243-Q268 HydrophobicContact CB-CB 4.49Å; R243-Q268 HydrophobicContact CG-CB 4.18Å; R243-Q268 HydrophobicContact CG-CG 4.03Å; R243-Q268 VanDerWaalsContact NE-OE1 3.15Å
244	L	98.8	Very high	97.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.249	C	C	.	.			trans	-133.5	23.5	-179.4	-77.8	162.3	0	0	0	110.4	M207 L220 I225 I228 L242 N247 L249 F259 Q268 L269 N272	M207-L244 HydrophobicContact SD-CD2 3.89Å; L220-L244 HydrophobicContact CB-CD2 3.76Å; L220-L244 HydrophobicContact CD1-CD2 3.98Å; I225-L244 HydrophobicContact CD1-CD2 4.01Å; I228-L244 HydrophobicContact CD1-CD1 4.18Å; L242-L244 HydrophobicContact CD1-CD1 4.15Å; L242-L244 HydrophobicContact CD1-CG 4.27Å; L242-L244 HydrophobicContact CD2-CD1 3.88Å; L242-L244 HydrophobicContact CG-CD1 3.99Å; L242-L244 HydrophobicContact CG-CG 4.37Å; L244-N247 PolarHBondContact O-ND2 2.95Å; L244-L249 HydrophobicContact CB-CD1 4.16Å; L244-L249 HydrophobicContact CD1-CD1 4.2Å; L244-F259 HydrophobicContact CD1-CE1 4.32Å; L244-F259 HydrophobicContact CD1-CZ 4.26Å; L244-Q268 CarbonylContact C-O 3.25Å; L244-Q268 WeakPolarHBondContact CA-O 3.41Å; L244-Q268 PolarHBondContact N-O 3.04Å; L244-L269 HydrophobicContact CB-CD2 3.86Å; L244-L269 HydrophobicContact CD1-CD2 4.16Å; L244-N272 PolarHBondContact O-ND2 3Å
245	N	98.9	Very high	97.7	Very high	13 Å²	13	44.8 Å²	44.8	7%	0.07	23%	0.226	C	C	.	.			trans	-63.6	155.1	-179.8	-52.1	-70.7	0	0	0	110.9	D221 N222 N247 Q268 L269 S270	D221-N245 CarbonylContact C-O 3.51Å; D221-N245 WeakPolarHBondContact CA-O 3.3Å; D221-N245 VanDerWaalsContact OD1-CB 3.25Å; D221-N245 WeakPolarHBondContact OD1-CB 3.41Å; D221-N245 PolarHBondContact OD1-N 2.96Å; D221-N245 PolarHBondContact OD1-ND2 3.33Å; N222-N245 PolarHBondContact N-O 3.39Å; N245-N247 PolarHBondContact O-N 2.82Å; N245-N247 PolarHBondContact O-ND2 3.06Å; N245-Q268 PolarHBondContact N-O 3.01Å; N245-Q268 VanDerWaalsContact ND2-CB 3.29Å; N245-Q268 WeakPolarHBondContact ND2-CB 3.36Å; N245-Q268 PolarHBondContact ND2-OE1 2.99Å; N245-Q268 VanDerWaalsContact ND2-OE1 3.17Å; N245-Q268 WeakPolarHBondContact OD1-CB 3.35Å; N245-L269 PolarHBondContact OD1-N 3.35Å; N245-S270 CarbonylContact C-O 3.08Å; N245-S270 WeakPolarHBondContact CA-O 3.11Å; N245-S270 WeakPolarHBondContact CB-O 3.27Å; N245-S270 WeakPolarHBondContact OD1-CB 3.22Å; N245-S270 PolarHBondContact OD1-N 3.35Å; N245-S270 PolarHBondContact OD1-OG 3.2Å
246	Y	98.9	Very high	97.5	Very high	110 Å²	110	45.9 Å²	45.9	43%	0.431	23%	0.234	S	C	.	.	S	Bend	trans	53.2	54.1	179.4	-58.9	-90	0	0	0	112.1	N222 N223 S270 H271	N222-Y246 WeakPolarHBondContact CA-O 3.27Å; N222-Y246 PolarHBondContact N-O 2.82Å; N222-Y246 WeakPolarHBondContact OD1-CB 3.49Å; N223-Y246 PolarHBondContact N-O 3.38Å; Y246-S270 PolarHBondContact N-O 2.95Å; Y246-H271 VanDerWaalsContact CA-O 3.24Å; Y246-H271 WeakPolarHBondContact CA-O 3.17Å; Y246-H271 HydrophobicContact CD1-CB 3.5Å; Y246-H271 VanDerWaalsContact CD1-CB 3.5Å; Y246-H271 AromaticContact CD1-CG 3.68Å; Y246-H271 HydrophobicContact CD2-CB 4.27Å; Y246-H271 HydrophobicContact CE1-CB 3.7Å; Y246-H271 AromaticContact CE1-CD2 3.47Å; Y246-H271 VanDerWaalsContact CE1-CD2 3.47Å; Y246-H271 WeakPolarHBondContact CE1-CD2 3.38Å; Y246-H271 AromaticContact CE1-CE1 3.79Å; Y246-H271 AromaticContact CE1-CG 3.29Å; Y246-H271 AromaticContact CE1-ND1 3.51Å; Y246-H271 AromaticContact CE1-NE2 3.75Å; Y246-H271 HydrophobicContact CE2-CB 4.45Å; Y246-H271 AromaticContact CE2-CD2 3.63Å; Y246-H271 HydrophobicContact CG-CB 3.8Å; Y246-H271 AromaticContact CZ-CD2 3.18Å; Y246-H271 AromaticContact CZ-CE1 3.91Å; Y246-H271 AromaticContact CZ-CG 3.56Å; Y246-H271 AromaticContact CZ-ND1 3.99Å; Y246-H271 AromaticContact CZ-NE2 3.4Å; Y246-H271 PolarHBondContact N-O 3Å; Y246-H271 PolarHBondContact OH-CD2 3.3Å; Y246-H271 VanDerWaalsContact OH-CD2 3.24Å; Y246-H271 PolarHBondContact OH-NE2 3.36Å
247	N	98.9	Very high	97	Very high	11 Å²	11	51.3 Å²	51.3	6%	0.059	26%	0.263	C	S	.	.	S	Bend	trans	-123.3	-162.3	172.4	-86	-75.6	0	0	0	109	L220 N223 S224 I225 L244 N245 H271 N272	L220-N247 PolarHBondContact O-ND2 2.96Å; N223-N247 WeakPolarHBondContact CA-OD1 3.33Å; N223-N247 WeakPolarHBondContact CB-OD1 3.16Å; N223-N247 PolarHBondContact N-OD1 2.8Å; S224-N247 PolarHBondContact N-OD1 3.48Å; I225-N247 HydrophobicContact CB-CB 4.39Å; I225-N247 WeakPolarHBondContact CB-OD1 3.35Å; I225-N247 WeakPolarHBondContact CG1-OD1 3.29Å; I225-N247 PolarHBondContact N-OD1 3.07Å; L244-N247 PolarHBondContact O-ND2 2.95Å; N245-N247 PolarHBondContact O-N 2.82Å; N245-N247 PolarHBondContact O-ND2 3.06Å; N247-H271 PolarHBondContact N-O 3.12Å; N247-N272 WeakPolarHBondContact CA-OD1 3.28Å; N247-N272 WeakPolarHBondContact CB-OD1 3.48Å; N247-N272 PolarHBondContact O-OD1 3.39Å
248	K	98.7	Very high	96.6	Very high	73 Å²	73	48.1 Å²	48.1	32%	0.317	24%	0.244	S	C	.	.			trans	-122.2	21.6	-176.8	-65.8	177	178.4	171.1	0	112.6	S224 I225 E226 S250 N272	S224-K248 WeakPolarHBondContact OG-CE 3.33Å; S224-K248 PolarHBondContact OG-NZ 2.99Å; I225-K248 CarbonylContact O-C 3.33Å; I225-K248 WeakPolarHBondContact O-CA 3.05Å; I225-K248 PolarHBondContact O-N 2.99Å; E226-K248 HydrophobicContact CG-CB 3.52Å; E226-K248 HydrophobicContact CG-CD 3.79Å; E226-K248 HydrophobicContact CG-CG 4.37Å; E226-K248 WeakPolarHBondContact OE1-CD 3.4Å; E226-K248 IonicContact OE1-NZ 3.6Å; E226-K248 PolarHBondContact OE1-NZ 3.42Å; K248-S250 PolarHBondContact O-N 2.88Å; K248-N272 PolarHBondContact N-OD1 2.89Å
249	L	98.5	Very high	96.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.224	C	C	.	.			trans	-60.6	126.3	-179.7	-62	171.1	0	0	0	109.8	I225 I228 L244 L269 N272 Q273 L274	I225-L249 HydrophobicContact CG2-CD2 4.14Å; I225-L249 PolarHBondContact O-N 3.03Å; I228-L249 HydrophobicContact CD1-CD1 4.23Å; I228-L249 HydrophobicContact CD1-CD2 4.18Å; I228-L249 HydrophobicContact CG1-CD2 3.97Å; L244-L249 HydrophobicContact CB-CD1 4.16Å; L244-L249 HydrophobicContact CD1-CD1 4.2Å; L249-L269 HydrophobicContact CD1-CD2 3.69Å; L249-N272 HydrophobicContact CB-CB 4.29Å; L249-N272 WeakPolarHBondContact CB-OD1 3.35Å; L249-N272 PolarHBondContact N-OD1 3.37Å; L249-Q273 CarbonylContact O-C 3.42Å; L249-Q273 WeakPolarHBondContact O-CA 3.35Å; L249-Q273 WeakPolarHBondContact O-CB 3.45Å; L249-Q273 PolarHBondContact O-N 2.9Å; L249-L274 HydrophobicContact CB-CD2 4.26Å; L249-L274 WeakPolarHBondContact O-CD2 3.24Å
250	S	97.8	Very high	96.2	Very high	40 Å²	40	46.9 Å²	46.9	28%	0.28	24%	0.242	S	C	.	.			trans	-110.3	172.9	169.7	66.5	0	0	0	0	109.7	K248 D252 G253 I254	K248-S250 PolarHBondContact O-N 2.88Å; S250-D252 VanDerWaalsContact C-N 3.26Å; S250-D252 PolarHBondContact O-N 3.08Å; S250-G253 PolarHBondContact O-N 2.85Å; S250-G253 PolarHBondContact OG-N 3.38Å; S250-I254 PolarHBondContact O-N 2.92Å
251	D	96.1	Very high	95.9	Very high	33 Å²	33	46.6 Å²	46.6	18%	0.176	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-53.9	-42.8	175.6	-63.7	5.2	0	0	0	112.1	G253 I254 T275 K276	D251-G253 VanDerWaalsContact C-N 3.28Å; D251-G253 PolarHBondContact O-N 3.07Å; D251-I254 PolarHBondContact O-N 3.42Å; D251-T275 PolarHBondContact OD1-N 2.96Å; D251-T275 PolarHBondContact OD2-OG1 3.48Å; D251-K276 PolarHBondContact OD1-N 3.1Å; D251-K276 WeakPolarHBondContact OD2-CG 3.37Å; D251-K276 IonicContact OD2-NZ 3.65Å; D251-K276 PolarHBondContact OD2-NZ 3.21Å
252	D	96.5	Very high	95.8	Very high	159 Å²	159	46.4 Å²	46.4	85%	0.85	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-74.2	-19.1	179.9	-56.7	-38.3	0	0	0	112.8	S250 I254	S250-D252 VanDerWaalsContact C-N 3.26Å; S250-D252 PolarHBondContact O-N 3.08Å; D252-I254 VanDerWaalsContact C-N 3.29Å
253	G	96.6	Very high	95.7	Very high	3 Å²	3	47.7 Å²	47.7	3%	0.031	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-79.5	-8	175	0	0	0	0	0	113.9	E226 V227 I228 S250 D251	E226-G253 WeakPolarHBondContact O-CA 3.13Å; V227-G253 WeakPolarHBondContact CA-O 3.42Å; I228-G253 PolarHBondContact N-O 2.92Å; S250-G253 PolarHBondContact O-N 2.85Å; S250-G253 PolarHBondContact OG-N 3.38Å; D251-G253 VanDerWaalsContact C-N 3.28Å; D251-G253 PolarHBondContact O-N 3.07Å
254	I	96.9	Very high	95.7	Very high	17 Å²	17	43.6 Å²	43.6	9%	0.087	24%	0.243	C	C	.	.	S	Bend	trans	-110.5	120.2	178.4	-62.7	164.3	0	0	0	108.8	S250 D251 D252 F259 L274 P278	S250-I254 PolarHBondContact O-N 2.92Å; D251-I254 PolarHBondContact O-N 3.42Å; D252-I254 VanDerWaalsContact C-N 3.29Å; I254-F259 HydrophobicContact CD1-CD2 4.47Å; I254-F259 HydrophobicContact CD1-CE2 3.76Å; I254-F259 HydrophobicContact CG1-CE2 3.95Å; I254-F259 HydrophobicContact CG2-CD2 3.92Å; I254-F259 HydrophobicContact CG2-CE2 3.87Å; I254-L274 HydrophobicContact CD1-CD1 4.26Å; I254-L274 HydrophobicContact CD1-CD2 3.41Å; I254-L274 VanDerWaalsContact CD1-CD2 3.41Å; I254-L274 HydrophobicContact CD1-CG 4.49Å; I254-P278 HydrophobicContact CD1-CB 4.2Å; I254-P278 HydrophobicContact CD1-CG 4.4Å; I254-P278 HydrophobicContact CG2-CB 4.29Å
255	P	95.4	Very high	95.7	Very high	20 Å²	20	46.1 Å²	46.1	13%	0.13	26%	0.256	C	S	.	.			trans	-66.6	153.9	176.9	26.1	-31	0	0	0	110.4	I228 E230 N257 G258	I228-P255 HydrophobicContact CG2-CG 4.47Å; I228-P255 WeakPolarHBondContact O-CD 3.17Å; E230-P255 HydrophobicContact CG-CB 4.14Å; P255-N257 PolarHBondContact O-N 3.44Å; P255-G258 WeakPolarHBondContact O-CA 3.38Å; P255-G258 PolarHBondContact O-N 3.05Å
256	P	89.6	Confident	95.7	Very high	101 Å²	101	46.3 Å²	46.3	66%	0.656	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-28.6	-168.5	-30.3	36.1	0	0	0	116.5	P279	P256-P279 WeakPolarHBondContact O-CG 3.5Å
257	N	86.6	Confident	95.7	Very high	115 Å²	115	41.1 Å²	41.1	62%	0.615	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.8	16.7	175.9	-70.3	-58.1	0	0	0	113.1	P255 F259 N260	P255-N257 PolarHBondContact O-N 3.44Å; N257-F259 VanDerWaalsContact C-N 3.3Å; N257-F259 PolarHBondContact O-N 3.15Å; N257-N260 HydrophobicContact CB-CB 4.36Å; N257-N260 PolarHBondContact O-N 3.47Å
258	G	88.5	Confident	95.7	Very high	7 Å²	7	41.7 Å²	41.7	7%	0.072	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-35.8	-168.2	0	0	0	0	0	114.9	F233 P255	F233-G258 WeakPolarHBondContact CD2-O 3.36Å; F233-G258 WeakPolarHBondContact CE2-O 3.25Å; P255-G258 WeakPolarHBondContact O-CA 3.38Å; P255-G258 PolarHBondContact O-N 3.05Å
259	F	94.3	Very high	95.7	Very high	5 Å²	5	38.2 Å²	38.2	2%	0.022	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-111.9	12.9	176.2	-60.4	-62	0	0	0	113.8	I228 F233 L242 L244 I254 N257 V261 L267 L269 P278 P279 N281	I228-F259 HydrophobicContact CD1-CE1 3.89Å; I228-F259 HydrophobicContact CD1-CE2 4.06Å; I228-F259 HydrophobicContact CD1-CZ 3.31Å; F233-F259 HydrophobicContact CE2-CD1 4.23Å; F233-F259 HydrophobicContact CE2-CE1 4.13Å; F233-F259 HydrophobicContact CZ-CD1 4.46Å; F233-F259 HydrophobicContact CZ-CE1 4.07Å; L242-F259 HydrophobicContact CD2-CD1 4.4Å; L242-F259 HydrophobicContact CD2-CE1 3.86Å; L244-F259 HydrophobicContact CD1-CE1 4.32Å; L244-F259 HydrophobicContact CD1-CZ 4.26Å; I254-F259 HydrophobicContact CD1-CD2 4.47Å; I254-F259 HydrophobicContact CD1-CE2 3.76Å; I254-F259 HydrophobicContact CG1-CE2 3.95Å; I254-F259 HydrophobicContact CG2-CD2 3.92Å; I254-F259 HydrophobicContact CG2-CE2 3.87Å; N257-F259 VanDerWaalsContact C-N 3.3Å; N257-F259 PolarHBondContact O-N 3.15Å; F259-V261 PolarHBondContact O-N 3.25Å; F259-L267 HydrophobicContact CB-CD2 3.84Å; F259-L267 HydrophobicContact CD1-CD1 3.87Å; F259-L267 HydrophobicContact CD1-CD2 3.76Å; F259-L267 HydrophobicContact CD2-CD2 4.25Å; F259-L267 HydrophobicContact CE1-CD1 3.77Å; F259-L267 HydrophobicContact CE1-CD2 4.36Å; F259-L267 HydrophobicContact CG-CD2 3.69Å; F259-L267 HydrophobicContact CZ-CD1 4.39Å; F259-L269 HydrophobicContact CD2-CD1 4.14Å; F259-L269 HydrophobicContact CE2-CD1 3.68Å; F259-L269 HydrophobicContact CE2-CD2 4.12Å; F259-L269 HydrophobicContact CZ-CD1 3.98Å; F259-L269 HydrophobicContact CZ-CD2 3.72Å; F259-L269 HydrophobicContact CZ-CG 4.42Å; F259-P278 HydrophobicContact CD2-CB 3.98Å; F259-P278 HydrophobicContact CD2-CG 3.9Å; F259-P278 HydrophobicContact CE2-CG 4.38Å; F259-P279 CarbonylContact C-O 3.4Å; F259-N281 PolarHBondContact O-N 3.31Å
260	N	92.9	Very high	95.7	Very high	73 Å²	73	38.5 Å²	38.5	39%	0.39	23%	0.226	S	C	.	.			trans	-81.1	60.3	168.5	-169.4	3.8	0	0	0	110.4	N257 N281	N257-N260 HydrophobicContact CB-CB 4.36Å; N257-N260 PolarHBondContact O-N 3.47Å; N260-N281 PolarHBondContact OD1-ND2 2.75Å
261	V	94.5	Very high	95.7	Very high	23 Å²	23	39.2 Å²	39.2	14%	0.139	23%	0.225	C	C	.	.			trans	-116.9	121.4	-174.8	-176.9	0	0	0	0	108.9	F233 F259 S263 I264 N281	F233-V261 HydrophobicContact CB-CG1 4.11Å; F233-V261 HydrophobicContact CB-CG2 3.63Å; F233-V261 HydrophobicContact CD2-CG2 3.86Å; F233-V261 HydrophobicContact CG-CG2 3.86Å; F259-V261 PolarHBondContact O-N 3.25Å; V261-S263 VanDerWaalsContact C-N 3.32Å; V261-S263 WeakPolarHBondContact CG1-OG 3.42Å; V261-S263 PolarHBondContact O-N 3.1Å; V261-I264 HydrophobicContact CB-CD1 3.86Å; V261-I264 HydrophobicContact CB-CG1 4.02Å; V261-I264 HydrophobicContact CG1-CD1 4.06Å; V261-I264 HydrophobicContact CG1-CG1 3.87Å; V261-I264 HydrophobicContact CG2-CD1 4.21Å; V261-N281 VanDerWaalsContact O-CB 3.27Å; V261-N281 WeakPolarHBondContact O-CB 3.28Å
262	S	95	Very high	95.9	Very high	81 Å²	81	38.1 Å²	38.1	57%	0.566	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-14.1	-173	54.4	0	0	0	0	115.3
263	S	97.5	Very high	95.9	Very high	27 Å²	27	34.3 Å²	34.3	19%	0.189	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-24.9	176.2	38.2	0	0	0	0	113.8	P237 V239 T240 V261 L265	P237-S263 WeakPolarHBondContact O-CB 3.34Å; P237-S263 PolarHBondContact O-OG 3.35Å; V239-S263 CarbonylContact O-C 3.23Å; V239-S263 VanDerWaalsContact O-C 3.23Å; V239-S263 WeakPolarHBondContact O-CB 3.22Å; V239-S263 PolarHBondContact O-OG 3.04Å; T240-S263 WeakPolarHBondContact CA-O 3.42Å; V261-S263 VanDerWaalsContact C-N 3.32Å; V261-S263 WeakPolarHBondContact CG1-OG 3.42Å; V261-S263 PolarHBondContact O-N 3.1Å; S263-L265 PolarHBondContact O-N 2.76Å
264	I	98.4	Very high	96	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.021	20%	0.195	C	C	.	.			trans	-75.4	119.9	-178.9	-57.2	178.1	0	0	0	109.4	F233 V239 L242 V261 L267 L284	F233-I264 HydrophobicContact CD1-CD1 4.34Å; F233-I264 HydrophobicContact CE1-CD1 4.41Å; V239-I264 WeakPolarHBondContact O-CG1 3.48Å; V239-I264 PolarHBondContact O-N 3.37Å; L242-I264 HydrophobicContact CB-CD1 4.47Å; L242-I264 HydrophobicContact CB-CG2 4.46Å; L242-I264 HydrophobicContact CD2-CD1 3.95Å; V261-I264 HydrophobicContact CB-CD1 3.86Å; V261-I264 HydrophobicContact CB-CG1 4.02Å; V261-I264 HydrophobicContact CG1-CD1 4.06Å; V261-I264 HydrophobicContact CG1-CG1 3.87Å; V261-I264 HydrophobicContact CG2-CD1 4.21Å; I264-L267 HydrophobicContact CG2-CB 4.04Å; I264-L284 HydrophobicContact CG2-CD1 3.88Å; I264-L284 WeakPolarHBondContact O-CD1 3.29Å
265	L	98.6	Very high	95.9	Very high	54 Å²	54	36.2 Å²	36.2	28%	0.283	21%	0.208	S	C	.	.	S	Bend	trans	-107	-29.2	176.7	-57.6	-178.4	0	0	0	112.2	T240 S263 Q283 E285 H286	T240-L265 HydrophobicContact CG2-CB 4.11Å; T240-L265 HydrophobicContact CG2-CD1 3.77Å; T240-L265 HydrophobicContact CG2-CG 3.86Å; T240-L265 PolarHBondContact O-N 3.29Å; S263-L265 PolarHBondContact O-N 2.76Å; L265-Q283 HydrophobicContact CD2-CB 4.28Å; L265-Q283 VanDerWaalsContact CD2-O 3.28Å; L265-Q283 WeakPolarHBondContact CD2-O 3.49Å; L265-E285 WeakPolarHBondContact O-CA 3.43Å; L265-E285 PolarHBondContact O-N 2.69Å; L265-H286 PolarHBondContact O-N 3.38Å
266	D	98.8	Very high	95.9	Very high	17 Å²	17	41.1 Å²	41.1	9%	0.091	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	113.1	178.8	-163.6	-71	0	0	0	109.2	T240 F241 L242 Q268 H286	T240-D266 PolarHBondContact O-N 2.76Å; F241-D266 HydrophobicContact CD1-CB 3.53Å; F241-D266 HydrophobicContact CE1-CB 4.05Å; F241-D266 HydrophobicContact CG-CB 4.39Å; L242-D266 PolarHBondContact N-O 2.9Å; D266-Q268 VanDerWaalsContact OD1-CG 3.24Å; D266-Q268 WeakPolarHBondContact OD1-CG 3.08Å; D266-Q268 PolarHBondContact OD1-NE2 3.05Å; D266-H286 IonicContact OD2-CE1 2.71Å; D266-H286 IonicContact OD2-CG 2.77Å; D266-H286 IonicContact OD2-ND1 3.88Å; D266-H286 PolarHBondContact OD2-ND1 3.42Å
267	L	98.8	Very high	96.1	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	117.7	-177.8	178.3	56.8	0	0	0	110.4	L242 F259 I264 L269 L284 H286 L287 H288	L242-L267 HydrophobicContact CB-CD1 4.27Å; L242-L267 HydrophobicContact CD2-CD1 3.91Å; L242-L267 HydrophobicContact CG-CD1 4.21Å; F259-L267 HydrophobicContact CB-CD2 3.84Å; F259-L267 HydrophobicContact CD1-CD1 3.87Å; F259-L267 HydrophobicContact CD1-CD2 3.76Å; F259-L267 HydrophobicContact CD2-CD2 4.25Å; F259-L267 HydrophobicContact CE1-CD1 3.77Å; F259-L267 HydrophobicContact CE1-CD2 4.36Å; F259-L267 HydrophobicContact CG-CD2 3.69Å; F259-L267 HydrophobicContact CZ-CD1 4.39Å; I264-L267 HydrophobicContact CG2-CB 4.04Å; L267-L269 HydrophobicContact CD1-CD1 4.08Å; L267-L269 HydrophobicContact CD1-CD2 4.4Å; L267-L269 HydrophobicContact CD1-CG 3.98Å; L267-L269 HydrophobicContact CD2-CD1 3.89Å; L267-L269 HydrophobicContact CG-CD1 3.87Å; L267-L269 HydrophobicContact CG-CG 4.08Å; L267-L284 HydrophobicContact CB-CD1 3.73Å; L267-L284 HydrophobicContact CB-CD2 4.26Å; L267-L284 HydrophobicContact CD2-CD2 4.42Å; L267-H286 PolarHBondContact N-O 3.38Å; L267-L287 HydrophobicContact CB-CD1 4.2Å; L267-L287 HydrophobicContact CD2-CD1 3.98Å; L267-L287 HydrophobicContact CG-CD1 4.04Å; L267-H288 PolarHBondContact O-N 3.3Å
268	Q	98.9	Very high	96.4	Very high	23 Å²	23	32.5 Å²	32.5	11%	0.107	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	112.3	-177.2	-43.2	-168.7	2.4	0	0	111.6	L242 R243 L244 N245 D266 H288	L242-Q268 PolarHBondContact O-N 3.28Å; R243-Q268 HydrophobicContact CB-CB 4.49Å; R243-Q268 HydrophobicContact CG-CB 4.18Å; R243-Q268 HydrophobicContact CG-CG 4.03Å; R243-Q268 VanDerWaalsContact NE-OE1 3.15Å; L244-Q268 CarbonylContact C-O 3.25Å; L244-Q268 WeakPolarHBondContact CA-O 3.41Å; L244-Q268 PolarHBondContact N-O 3.04Å; N245-Q268 PolarHBondContact N-O 3.01Å; N245-Q268 VanDerWaalsContact ND2-CB 3.29Å; N245-Q268 WeakPolarHBondContact ND2-CB 3.36Å; N245-Q268 PolarHBondContact ND2-OE1 2.99Å; N245-Q268 VanDerWaalsContact ND2-OE1 3.17Å; N245-Q268 WeakPolarHBondContact OD1-CB 3.35Å; D266-Q268 VanDerWaalsContact OD1-CG 3.24Å; D266-Q268 WeakPolarHBondContact OD1-CG 3.08Å; D266-Q268 PolarHBondContact OD1-NE2 3.05Å; Q268-H288 HydrophobicContact CB-CB 4.32Å
269	L	98.8	Very high	96.5	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.192	C	C	.	.			trans	-127.7	18.4	-174.1	-68	168.6	0	0	0	111.9	L244 N245 L249 F259 L267 N272 L274 P278 H288 L289 N292	L244-L269 HydrophobicContact CB-CD2 3.86Å; L244-L269 HydrophobicContact CD1-CD2 4.16Å; N245-L269 PolarHBondContact OD1-N 3.35Å; L249-L269 HydrophobicContact CD1-CD2 3.69Å; F259-L269 HydrophobicContact CD2-CD1 4.14Å; F259-L269 HydrophobicContact CE2-CD1 3.68Å; F259-L269 HydrophobicContact CE2-CD2 4.12Å; F259-L269 HydrophobicContact CZ-CD1 3.98Å; F259-L269 HydrophobicContact CZ-CD2 3.72Å; F259-L269 HydrophobicContact CZ-CG 4.42Å; L267-L269 HydrophobicContact CD1-CD1 4.08Å; L267-L269 HydrophobicContact CD1-CD2 4.4Å; L267-L269 HydrophobicContact CD1-CG 3.98Å; L267-L269 HydrophobicContact CD2-CD1 3.89Å; L267-L269 HydrophobicContact CG-CD1 3.87Å; L267-L269 HydrophobicContact CG-CG 4.08Å; L269-N272 PolarHBondContact O-ND2 3.32Å; L269-L274 HydrophobicContact CB-CD1 4.27Å; L269-L274 HydrophobicContact CD1-CD1 4.36Å; L269-P278 HydrophobicContact CD1-CG 4.19Å; L269-H288 CarbonylContact C-O 3.57Å; L269-H288 WeakPolarHBondContact CA-O 3.32Å; L269-H288 PolarHBondContact N-O 2.76Å; L269-L289 HydrophobicContact CB-CD2 3.73Å; L269-L289 HydrophobicContact CD1-CD2 4.05Å; L269-N292 PolarHBondContact O-ND2 3.17Å
270	S	98.8	Very high	96.5	Very high	6 Å²	6	35.1 Å²	35.1	4%	0.042	19%	0.192	C	C	.	.			trans	-62.2	151.1	-179	-26.4	0	0	0	0	111.5	N245 Y246 N272 H288 D290	N245-S270 CarbonylContact C-O 3.08Å; N245-S270 WeakPolarHBondContact CA-O 3.11Å; N245-S270 WeakPolarHBondContact CB-O 3.27Å; N245-S270 WeakPolarHBondContact OD1-CB 3.22Å; N245-S270 PolarHBondContact OD1-N 3.35Å; N245-S270 PolarHBondContact OD1-OG 3.2Å; Y246-S270 PolarHBondContact N-O 2.95Å; S270-N272 PolarHBondContact O-N 2.79Å; S270-N272 PolarHBondContact O-ND2 3.24Å; S270-H288 PolarHBondContact N-O 2.68Å; S270-H288 WeakPolarHBondContact OG-CB 3.4Å; S270-D290 CarbonylContact C-O 3.39Å; S270-D290 WeakPolarHBondContact CA-O 3.35Å; S270-D290 WeakPolarHBondContact CB-O 3.5Å; S270-D290 PolarHBondContact OG-OD1 3.26Å
271	H	98.8	Very high	96.6	Very high	55 Å²	55	33 Å²	33	26%	0.255	18%	0.18	S	C	.	.	S	Bend	trans	54.2	51.2	-177.8	-60.2	-91.4	0	0	0	113.3	Y246 N247 D290 H291	Y246-H271 VanDerWaalsContact CA-O 3.24Å; Y246-H271 WeakPolarHBondContact CA-O 3.17Å; Y246-H271 HydrophobicContact CD1-CB 3.5Å; Y246-H271 VanDerWaalsContact CD1-CB 3.5Å; Y246-H271 AromaticContact CD1-CG 3.68Å; Y246-H271 HydrophobicContact CD2-CB 4.27Å; Y246-H271 HydrophobicContact CE1-CB 3.7Å; Y246-H271 AromaticContact CE1-CD2 3.47Å; Y246-H271 VanDerWaalsContact CE1-CD2 3.47Å; Y246-H271 WeakPolarHBondContact CE1-CD2 3.38Å; Y246-H271 AromaticContact CE1-CE1 3.79Å; Y246-H271 AromaticContact CE1-CG 3.29Å; Y246-H271 AromaticContact CE1-ND1 3.51Å; Y246-H271 AromaticContact CE1-NE2 3.75Å; Y246-H271 HydrophobicContact CE2-CB 4.45Å; Y246-H271 AromaticContact CE2-CD2 3.63Å; Y246-H271 HydrophobicContact CG-CB 3.8Å; Y246-H271 AromaticContact CZ-CD2 3.18Å; Y246-H271 AromaticContact CZ-CE1 3.91Å; Y246-H271 AromaticContact CZ-CG 3.56Å; Y246-H271 AromaticContact CZ-ND1 3.99Å; Y246-H271 AromaticContact CZ-NE2 3.4Å; Y246-H271 PolarHBondContact N-O 3Å; Y246-H271 PolarHBondContact OH-CD2 3.3Å; Y246-H271 VanDerWaalsContact OH-CD2 3.24Å; Y246-H271 PolarHBondContact OH-NE2 3.36Å; N247-H271 PolarHBondContact N-O 3.12Å; H271-D290 PolarHBondContact N-O 3.12Å; H271-H291 WeakPolarHBondContact CA-O 3.46Å; H271-H291 HydrophobicContact CB-CB 4.5Å; H271-H291 WeakPolarHBondContact CE1-CB 3.35Å; H271-H291 AromaticContact CE1-CD2 3.72Å; H271-H291 AromaticContact CE1-CG 3.24Å; H271-H291 AromaticContact CE1-ND1 3.55Å; H271-H291 VanDerWaalsContact ND1-CB 3.32Å; H271-H291 WeakPolarHBondContact ND1-CB 3.36Å; H271-H291 AromaticContact ND1-CG 3.75Å; H271-H291 AromaticContact NE2-CG 3.58Å; H271-H291 AromaticContact NE2-ND1 3.41Å; H271-H291 PolarHBondContact NE2-ND1 3.35Å
272	N	98.8	Very high	96.5	Very high	9 Å²	9	32.4 Å²	32.4	5%	0.048	18%	0.178	C	C	.	.	S	Bend	trans	-116.7	-160.2	169.3	-83.5	-82.7	0	0	0	109.8	L244 N247 K248 L249 L269 S270 L274 N292	L244-N272 PolarHBondContact O-ND2 3Å; N247-N272 WeakPolarHBondContact CA-OD1 3.28Å; N247-N272 WeakPolarHBondContact CB-OD1 3.48Å; N247-N272 PolarHBondContact O-OD1 3.39Å; K248-N272 PolarHBondContact N-OD1 2.89Å; L249-N272 HydrophobicContact CB-CB 4.29Å; L249-N272 WeakPolarHBondContact CB-OD1 3.35Å; L249-N272 PolarHBondContact N-OD1 3.37Å; L269-N272 PolarHBondContact O-ND2 3.32Å; S270-N272 PolarHBondContact O-N 2.79Å; S270-N272 PolarHBondContact O-ND2 3.24Å; N272-L274 HydrophobicContact CB-CG 4.25Å; N272-N292 VanDerWaalsContact CA-OD1 3.27Å; N272-N292 WeakPolarHBondContact CA-OD1 3.09Å; N272-N292 WeakPolarHBondContact CB-OD1 3.25Å; N272-N292 PolarHBondContact N-OD1 3.47Å; N272-N292 PolarHBondContact O-OD1 3.16Å
273	Q	98.3	Very high	96.5	Very high	80 Å²	80	30.3 Å²	30.3	37%	0.374	16%	0.16	S	C	.	.			trans	-118.3	24.5	-176.4	-55.3	-174.4	56.3	0	0	112.3	L249 N292	L249-Q273 CarbonylContact O-C 3.42Å; L249-Q273 WeakPolarHBondContact O-CA 3.35Å; L249-Q273 WeakPolarHBondContact O-CB 3.45Å; L249-Q273 PolarHBondContact O-N 2.9Å; Q273-N292 PolarHBondContact N-OD1 2.87Å
274	L	97.7	Very high	96.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.152	C	C	.	.			trans	-70.3	134.8	-176	-53.9	179.5	0	0	0	111.2	L249 I254 L269 N272 L289 N292 R293 I294	L249-L274 HydrophobicContact CB-CD2 4.26Å; L249-L274 WeakPolarHBondContact O-CD2 3.24Å; I254-L274 HydrophobicContact CD1-CD1 4.26Å; I254-L274 HydrophobicContact CD1-CD2 3.41Å; I254-L274 VanDerWaalsContact CD1-CD2 3.41Å; I254-L274 HydrophobicContact CD1-CG 4.49Å; L269-L274 HydrophobicContact CB-CD1 4.27Å; L269-L274 HydrophobicContact CD1-CD1 4.36Å; N272-L274 HydrophobicContact CB-CG 4.25Å; L274-L289 HydrophobicContact CD1-CD2 3.59Å; L274-N292 HydrophobicContact CB-CB 4.24Å; L274-N292 WeakPolarHBondContact CB-OD1 3.39Å; L274-N292 WeakPolarHBondContact CG-OD1 3.48Å; L274-N292 PolarHBondContact N-OD1 3.13Å; L274-R293 CarbonylContact O-C 3.22Å; L274-R293 VanDerWaalsContact O-CA 3.3Å; L274-R293 WeakPolarHBondContact O-CA 3.35Å; L274-R293 PolarHBondContact O-N 3.16Å; L274-I294 PolarHBondContact O-N 3.25Å
275	T	96.1	Very high	96.5	Very high	60 Å²	60	31 Å²	31	37%	0.368	16%	0.16	S	C	.	.	S	Bend	trans	-104.7	-13	175.1	86.2	0	0	0	0	112.7	D251 I294	D251-T275 PolarHBondContact OD1-N 2.96Å; D251-T275 PolarHBondContact OD2-OG1 3.48Å; T275-I294 WeakPolarHBondContact O-CA 3.44Å
276	K	93.5	Very high	96.5	Very high	122 Å²	122	31.6 Å²	31.6	53%	0.53	16%	0.161	S	C	.	.	S	Bend	trans	-132.7	159.7	176.8	-58.1	179	-157.9	92.2	0	109.9	D251	D251-K276 PolarHBondContact OD1-N 3.1Å; D251-K276 WeakPolarHBondContact OD2-CG 3.37Å; D251-K276 IonicContact OD2-NZ 3.65Å; D251-K276 PolarHBondContact OD2-NZ 3.21Å
277	I	93.6	Very high	96.5	Very high	24 Å²	24	30.8 Å²	30.8	12%	0.123	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-78.4	125.9	168	-62.5	161.9	0	0	0	107.8	L287 L289 I294 V297 I302 L327	I277-L287 HydrophobicContact CG2-CD2 4.22Å; I277-L289 HydrophobicContact CB-CD1 4.26Å; I277-L289 HydrophobicContact CG1-CD1 3.88Å; I277-L289 HydrophobicContact CG2-CD1 3.77Å; I277-I294 HydrophobicContact CG1-CD1 3.98Å; I277-I294 HydrophobicContact CG1-CG2 4.3Å; I277-V297 HydrophobicContact CD1-CB 4.23Å; I277-V297 HydrophobicContact CD1-CG1 3.77Å; I277-V297 HydrophobicContact CD1-CG2 3.89Å; I277-I302 HydrophobicContact CB-CD1 4.47Å; I277-I302 HydrophobicContact CD1-CD1 4.25Å; I277-I302 HydrophobicContact CG2-CD1 3.58Å; I277-I302 HydrophobicContact CG2-CG1 3.8Å; I277-L327 HydrophobicContact CD1-CD2 4.19Å; I277-L327 HydrophobicContact CG1-CD2 4.38Å
278	P	93.6	Very high	96.5	Very high	11 Å²	11	32.3 Å²	32.3	7%	0.071	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-70.9	156.5	179.5	29.3	-35.6	0	0	0	111.8	I254 F259 L269 I280	I254-P278 HydrophobicContact CD1-CB 4.2Å; I254-P278 HydrophobicContact CD1-CG 4.4Å; I254-P278 HydrophobicContact CG2-CB 4.29Å; F259-P278 HydrophobicContact CD2-CB 3.98Å; F259-P278 HydrophobicContact CD2-CG 3.9Å; F259-P278 HydrophobicContact CE2-CG 4.38Å; L269-P278 HydrophobicContact CD1-CG 4.19Å; P278-I280 PolarHBondContact O-N 3.19Å
279	P	91.4	Very high	96.4	Very high	61 Å²	61	31.2 Å²	31.2	40%	0.396	16%	0.159	S	C	.	.	P	Polyproline II helix	trans	-60.7	128.6	172.9	-25	36.8	0	0	0	112	P256 F259	P256-P279 WeakPolarHBondContact O-CG 3.5Å; F259-P279 CarbonylContact C-O 3.4Å
280	I	94.3	Very high	96.4	Very high	6 Å²	6	31.4 Å²	31.4	3%	0.031	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-114.2	162.7	-178.2	57.6	170.4	0	0	0	111.6	P278 L284 L287 I302 P304 L322 F344	P278-I280 PolarHBondContact O-N 3.19Å; I280-L284 HydrophobicContact CB-CD2 3.92Å; I280-L284 HydrophobicContact CD1-CD2 4.02Å; I280-L284 HydrophobicContact CG2-CD2 3.73Å; I280-L287 HydrophobicContact CD1-CD2 4.27Å; I280-L287 HydrophobicContact CG2-CD2 4.08Å; I280-I302 HydrophobicContact CD1-CD1 4.33Å; I280-I302 HydrophobicContact CD1-CG1 4.15Å; I280-I302 HydrophobicContact CG1-CG1 4.25Å; I280-P304 WeakPolarHBondContact O-CB 3.4Å; I280-L322 HydrophobicContact CD1-CD2 4.43Å; I280-F344 HydrophobicContact CD1-CE1 4.13Å; I280-F344 HydrophobicContact CD1-CZ 4Å
281	N	94.4	Very high	96.4	Very high	28 Å²	28	34.9 Å²	34.9	15%	0.15	18%	0.175	C	C	.	.			trans	-83.6	152.9	171.3	-166	-91.2	0	0	0	112.4	F259 N260 V261 Q283 L284	F259-N281 PolarHBondContact O-N 3.31Å; N260-N281 PolarHBondContact OD1-ND2 2.75Å; V261-N281 VanDerWaalsContact O-CB 3.27Å; V261-N281 WeakPolarHBondContact O-CB 3.28Å; N281-Q283 PolarHBondContact O-N 2.93Å; N281-Q283 WeakPolarHBondContact OD1-CG 3.28Å; N281-Q283 PolarHBondContact OD1-N 3.31Å; N281-L284 WeakPolarHBondContact O-CB 3.4Å; N281-L284 PolarHBondContact O-N 2.99Å
282	A	93.6	Very high	96.4	Very high	11 Å²	11	32.7 Å²	32.7	9%	0.091	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-18.6	175.7	0	0	0	0	0	114.7	P304 V305 P320 R321	A282-P304 HydrophobicContact CB-CB 4.15Å; A282-P304 HydrophobicContact CB-CG 3.79Å; A282-V305 HydrophobicContact CB-CG2 4.48Å; A282-P320 WeakPolarHBondContact O-CA 3.44Å; A282-R321 PolarHBondContact O-N 3.41Å
283	Q	94.9	Very high	96.3	Very high	38 Å²	38	38.6 Å²	38.6	18%	0.178	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-14	176.6	-59.5	-51.9	-56.4	0	0	114.5	L265 N281 E285 R321	L265-Q283 HydrophobicContact CD2-CB 4.28Å; L265-Q283 VanDerWaalsContact CD2-O 3.28Å; L265-Q283 WeakPolarHBondContact CD2-O 3.49Å; N281-Q283 PolarHBondContact O-N 2.93Å; N281-Q283 WeakPolarHBondContact OD1-CG 3.28Å; N281-Q283 PolarHBondContact OD1-N 3.31Å; Q283-E285 PolarHBondContact O-N 2.84Å; Q283-R321 VanDerWaalsContact OE1-NE 3.13Å
284	L	97.2	Very high	96.2	Very high	6 Å²	6	34.8 Å²	34.8	3%	0.031	17%	0.169	C	C	.	.			trans	-61.5	129.9	-176.3	-172.3	71	0	0	0	111.1	I264 L267 I280 N281 L287 R321 L322	I264-L284 HydrophobicContact CG2-CD1 3.88Å; I264-L284 WeakPolarHBondContact O-CD1 3.29Å; L267-L284 HydrophobicContact CB-CD1 3.73Å; L267-L284 HydrophobicContact CB-CD2 4.26Å; L267-L284 HydrophobicContact CD2-CD2 4.42Å; I280-L284 HydrophobicContact CB-CD2 3.92Å; I280-L284 HydrophobicContact CD1-CD2 4.02Å; I280-L284 HydrophobicContact CG2-CD2 3.73Å; N281-L284 WeakPolarHBondContact O-CB 3.4Å; N281-L284 PolarHBondContact O-N 2.99Å; L284-L287 HydrophobicContact CD2-CB 4Å; L284-L287 HydrophobicContact CD2-CD1 4.23Å; L284-L287 HydrophobicContact CD2-CD2 4.37Å; L284-L287 HydrophobicContact CD2-CG 4.43Å; L284-R321 CarbonylContact O-C 3.21Å; L284-L322 HydrophobicContact CD2-CD1 4.24Å; L284-L322 HydrophobicContact CG-CD1 4.28Å; L284-L322 WeakPolarHBondContact O-CA 3.36Å; L284-L322 PolarHBondContact O-N 3.05Å
285	E	97.7	Very high	95.9	Very high	38 Å²	38	40.8 Å²	40.8	18%	0.178	20%	0.195	C	C	.	.			trans	-101.9	-39.6	-178.7	-61.2	-158.8	-158.6	0	0	112.6	L265 Q283 R321 R323 Y324	L265-E285 WeakPolarHBondContact O-CA 3.43Å; L265-E285 PolarHBondContact O-N 2.69Å; Q283-E285 PolarHBondContact O-N 2.84Å; E285-R321 HydrophobicContact CG-CB 4.16Å; E285-R323 PolarHBondContact O-N 3.32Å; E285-R323 IonicContact OE2-CZ 2.62Å; E285-R323 IonicContact OE2-NH1 2.72Å; E285-R323 PolarHBondContact OE2-NH1 3.38Å; E285-Y324 PolarHBondContact O-N 3.34Å
286	H	98.6	Very high	95.5	Very high	68 Å²	68	41.9 Å²	41.9	32%	0.315	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	132.1	178.5	-50.7	146	0	0	0	112	L265 D266 L267	L265-H286 PolarHBondContact O-N 3.38Å; D266-H286 IonicContact OD2-CE1 2.71Å; D266-H286 IonicContact OD2-CG 2.77Å; D266-H286 IonicContact OD2-ND1 3.88Å; D266-H286 PolarHBondContact OD2-ND1 3.42Å; L267-H286 PolarHBondContact N-O 3.38Å
287	L	98.3	Very high	95.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	116	175.7	-178.8	54.6	0	0	0	110.7	L267 I277 I280 L284 L289 L322 Y324 L325 R326	L267-L287 HydrophobicContact CB-CD1 4.2Å; L267-L287 HydrophobicContact CD2-CD1 3.98Å; L267-L287 HydrophobicContact CG-CD1 4.04Å; I277-L287 HydrophobicContact CG2-CD2 4.22Å; I280-L287 HydrophobicContact CD1-CD2 4.27Å; I280-L287 HydrophobicContact CG2-CD2 4.08Å; L284-L287 HydrophobicContact CD2-CB 4Å; L284-L287 HydrophobicContact CD2-CD1 4.23Å; L284-L287 HydrophobicContact CD2-CD2 4.37Å; L284-L287 HydrophobicContact CD2-CG 4.43Å; L287-L289 HydrophobicContact CD1-CD1 3.98Å; L287-L289 HydrophobicContact CD1-CG 3.94Å; L287-L289 HydrophobicContact CD2-CD1 3.72Å; L287-L289 HydrophobicContact CG-CD1 3.72Å; L287-L289 HydrophobicContact CG-CG 4Å; L287-L322 HydrophobicContact CB-CD1 3.75Å; L287-Y324 PolarHBondContact N-O 2.94Å; L287-L325 HydrophobicContact CB-CD1 4.09Å; L287-L325 HydrophobicContact CD2-CD1 3.91Å; L287-L325 HydrophobicContact CG-CD1 4Å; L287-R326 PolarHBondContact O-N 2.78Å
288	H	98.7	Very high	94.7	Very high	33 Å²	33	38.3 Å²	38.3	15%	0.153	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	119.6	174.5	-62.2	-119.7	0	0	0	110.6	L267 Q268 L269 S270 Y324	L267-H288 PolarHBondContact O-N 3.3Å; Q268-H288 HydrophobicContact CB-CB 4.32Å; L269-H288 CarbonylContact C-O 3.57Å; L269-H288 WeakPolarHBondContact CA-O 3.32Å; L269-H288 PolarHBondContact N-O 2.76Å; S270-H288 PolarHBondContact N-O 2.68Å; S270-H288 WeakPolarHBondContact OG-CB 3.4Å; H288-Y324 AromaticContact CE1-CE1 3.52Å; H288-Y324 AromaticContact NE2-CD1 3.76Å; H288-Y324 AromaticContact NE2-CE1 3.71Å
289	L	98.3	Very high	94	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.189	C	C	.	.			trans	-134.4	15.2	-178.2	-74.7	168.1	0	0	0	111.7	L269 L274 I277 L287 N292 I294 R326 L327 N330	L269-L289 HydrophobicContact CB-CD2 3.73Å; L269-L289 HydrophobicContact CD1-CD2 4.05Å; L274-L289 HydrophobicContact CD1-CD2 3.59Å; I277-L289 HydrophobicContact CB-CD1 4.26Å; I277-L289 HydrophobicContact CG1-CD1 3.88Å; I277-L289 HydrophobicContact CG2-CD1 3.77Å; L287-L289 HydrophobicContact CD1-CD1 3.98Å; L287-L289 HydrophobicContact CD1-CG 3.94Å; L287-L289 HydrophobicContact CD2-CD1 3.72Å; L287-L289 HydrophobicContact CG-CD1 3.72Å; L287-L289 HydrophobicContact CG-CG 4Å; L289-N292 PolarHBondContact O-ND2 2.88Å; L289-I294 HydrophobicContact CB-CD1 4.02Å; L289-I294 HydrophobicContact CD1-CD1 4.25Å; L289-I294 HydrophobicContact CD2-CD1 4.45Å; L289-R326 CarbonylContact C-O 3.17Å; L289-R326 WeakPolarHBondContact CA-O 3.38Å; L289-R326 PolarHBondContact N-O 2.96Å; L289-L327 HydrophobicContact CB-CD2 3.85Å; L289-L327 HydrophobicContact CD1-CD2 4.24Å; L289-N330 PolarHBondContact O-ND2 2.73Å
290	D	98.3	Very high	93.3	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.021	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	152.8	179.2	59.7	-87.7	0	0	0	112.6	S270 H271 N292 R326 D328	S270-D290 CarbonylContact C-O 3.39Å; S270-D290 WeakPolarHBondContact CA-O 3.35Å; S270-D290 WeakPolarHBondContact CB-O 3.5Å; S270-D290 PolarHBondContact OG-OD1 3.26Å; H271-D290 PolarHBondContact N-O 3.12Å; D290-N292 VanDerWaalsContact C-N 3.3Å; D290-N292 PolarHBondContact O-N 3.31Å; D290-N292 PolarHBondContact O-ND2 3.29Å; D290-R326 HydrophobicContact CB-CG 4.07Å; D290-R326 VanDerWaalsContact CG-CZ 3.48Å; D290-R326 PolarHBondContact N-O 3.18Å; D290-R326 WeakPolarHBondContact OD1-CD 3.14Å; D290-R326 IonicContact OD1-CZ 3.05Å; D290-R326 IonicContact OD1-NE 2.69Å; D290-R326 PolarHBondContact OD1-NE 3.28Å; D290-R326 IonicContact OD1-NH1 2.63Å; D290-R326 PolarHBondContact OD1-NH1 3.38Å; D290-R326 VanDerWaalsContact OD1-NH1 3.12Å; D290-R326 IonicContact OD2-CZ 3.28Å; D290-R326 IonicContact OD2-NH1 4Å; D290-R326 PolarHBondContact OD2-NH1 3.27Å; D290-R326 IonicContact OD2-NH2 2.75Å; D290-D328 CarbonylContact C-O 3.52Å; D290-D328 WeakPolarHBondContact CA-O 2.97Å; D290-D328 WeakPolarHBondContact CB-O 3.41Å
291	H	98.4	Very high	92.7	Very high	78 Å²	78	46 Å²	46	36%	0.361	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	38.9	-179.6	-55.7	89.2	0	0	0	114.4	H271 D328	H271-H291 WeakPolarHBondContact CA-O 3.46Å; H271-H291 HydrophobicContact CB-CB 4.5Å; H271-H291 WeakPolarHBondContact CE1-CB 3.35Å; H271-H291 AromaticContact CE1-CD2 3.72Å; H271-H291 AromaticContact CE1-CG 3.24Å; H271-H291 AromaticContact CE1-ND1 3.55Å; H271-H291 VanDerWaalsContact ND1-CB 3.32Å; H271-H291 WeakPolarHBondContact ND1-CB 3.36Å; H271-H291 AromaticContact ND1-CG 3.75Å; H271-H291 AromaticContact NE2-CG 3.58Å; H271-H291 AromaticContact NE2-ND1 3.41Å; H271-H291 PolarHBondContact NE2-ND1 3.35Å; H291-D328 PolarHBondContact N-O 3.16Å
292	N	98.5	Very high	92.2	Very high	9 Å²	9	45 Å²	45	5%	0.048	22%	0.223	C	C	.	.	S	Bend	trans	-101.5	-159.1	167.1	-83	-85.5	0	0	0	110	L269 N272 Q273 L274 L289 D290 I294 N330	L269-N292 PolarHBondContact O-ND2 3.17Å; N272-N292 VanDerWaalsContact CA-OD1 3.27Å; N272-N292 WeakPolarHBondContact CA-OD1 3.09Å; N272-N292 WeakPolarHBondContact CB-OD1 3.25Å; N272-N292 PolarHBondContact N-OD1 3.47Å; N272-N292 PolarHBondContact O-OD1 3.16Å; Q273-N292 PolarHBondContact N-OD1 2.87Å; L274-N292 HydrophobicContact CB-CB 4.24Å; L274-N292 WeakPolarHBondContact CB-OD1 3.39Å; L274-N292 WeakPolarHBondContact CG-OD1 3.48Å; L274-N292 PolarHBondContact N-OD1 3.13Å; L289-N292 PolarHBondContact O-ND2 2.88Å; D290-N292 VanDerWaalsContact C-N 3.3Å; D290-N292 PolarHBondContact O-N 3.31Å; D290-N292 PolarHBondContact O-ND2 3.29Å; N292-I294 HydrophobicContact CB-CD1 4.24Å; N292-I294 HydrophobicContact CB-CG1 4.15Å; N292-N330 VanDerWaalsContact CA-OD1 3.27Å; N292-N330 WeakPolarHBondContact CA-OD1 3.11Å; N292-N330 WeakPolarHBondContact CB-OD1 3.45Å; N292-N330 PolarHBondContact N-OD1 3.27Å; N292-N330 PolarHBondContact O-OD1 3.34Å
293	R	97.5	Very high	91.9	Very high	134 Å²	134	45.3 Å²	45.3	51%	0.506	23%	0.225	S	C	.	.			trans	-120.8	29.9	178.6	-56.3	-173.9	-172.1	-173.2	4.5	112.1	L274 K295 N330	L274-R293 CarbonylContact O-C 3.22Å; L274-R293 VanDerWaalsContact O-CA 3.3Å; L274-R293 WeakPolarHBondContact O-CA 3.35Å; L274-R293 PolarHBondContact O-N 3.16Å; R293-K295 PolarHBondContact O-N 2.86Å; R293-N330 PolarHBondContact N-OD1 3.48Å
294	I	95.6	Very high	91.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.23	C	C	.	.			trans	-70	126.5	-176	-58.1	166.6	0	0	0	108.9	L274 T275 I277 L289 N292 S296 L327 N330 E331 I332	L274-I294 PolarHBondContact O-N 3.25Å; T275-I294 WeakPolarHBondContact O-CA 3.44Å; I277-I294 HydrophobicContact CG1-CD1 3.98Å; I277-I294 HydrophobicContact CG1-CG2 4.3Å; L289-I294 HydrophobicContact CB-CD1 4.02Å; L289-I294 HydrophobicContact CD1-CD1 4.25Å; L289-I294 HydrophobicContact CD2-CD1 4.45Å; N292-I294 HydrophobicContact CB-CD1 4.24Å; N292-I294 HydrophobicContact CB-CG1 4.15Å; I294-S296 WeakPolarHBondContact CG2-O 3.47Å; I294-L327 HydrophobicContact CD1-CD2 4.07Å; I294-N330 HydrophobicContact CB-CB 4.23Å; I294-N330 VanDerWaalsContact CB-OD1 3.28Å; I294-N330 WeakPolarHBondContact CB-OD1 3.45Å; I294-N330 WeakPolarHBondContact CG1-OD1 3.28Å; I294-N330 PolarHBondContact N-OD1 3.44Å; I294-E331 CarbonylContact O-C 3.36Å; I294-E331 WeakPolarHBondContact O-CA 3.41Å; I294-E331 PolarHBondContact O-N 3.12Å; I294-I332 HydrophobicContact CB-CD1 4.29Å; I294-I332 HydrophobicContact CB-CG1 4.32Å; I294-I332 HydrophobicContact CG2-CD1 3.97Å; I294-I332 HydrophobicContact CG2-CG1 4.12Å; I294-I332 WeakPolarHBondContact O-CG1 3.42Å; I294-I332 PolarHBondContact O-N 3.03Å
295	K	91.4	Very high	90.6	Very high	125 Å²	125	47.3 Å²	47.3	54%	0.543	24%	0.24	S	C	.	.			trans	-98.1	-27.7	-174.2	-56.7	-167.9	-178.7	-149.3	0	113.8	R293 E331	R293-K295 PolarHBondContact O-N 2.86Å; K295-E331 WeakPolarHBondContact CE-OE2 3.41Å; K295-E331 HydrophobicContact CG-CB 4.05Å; K295-E331 IonicContact NZ-OE1 2.73Å; K295-E331 IonicContact NZ-OE2 3.29Å; K295-E331 PolarHBondContact NZ-OE2 3.38Å; K295-E331 VanDerWaalsContact NZ-OE2 3.08Å
296	S	87.9	Confident	89.2	Confident	83 Å²	83	48.8 Å²	48.8	58%	0.58	26%	0.255	S	S	*	.			trans	-152.9	148.2	-179.7	53.6	0	0	0	0	110.2	I294	I294-S296 WeakPolarHBondContact CG2-O 3.47Å
297	V	88.1	Confident	87.3	Confident	10 Å²	10	47.2 Å²	47.2	6%	0.061	25%	0.249	C	C	.	.			trans	-93.8	145.1	164.1	-172.8	0	0	0	0	107.4	I277 L327 I332 V340	I277-V297 HydrophobicContact CD1-CB 4.23Å; I277-V297 HydrophobicContact CD1-CG1 3.77Å; I277-V297 HydrophobicContact CD1-CG2 3.89Å; V297-L327 HydrophobicContact CG2-CD1 3.86Å; V297-I332 HydrophobicContact CG2-CD1 3.95Å; V297-I332 HydrophobicContact CG2-CG2 4.39Å; V297-V340 HydrophobicContact CB-CG2 4.4Å; V297-V340 HydrophobicContact CG1-CG2 3.41Å; V297-V340 VanDerWaalsContact CG1-CG2 3.41Å
298	N	82.8	Confident	85.2	Confident	61 Å²	61	50.7 Å²	50.7	33%	0.326	28%	0.278	S	S	.	.			trans	-133.1	104.6	171.9	179.3	-30.5	0	0	0	107.4	T300 Q301 I302	N298-T300 PolarHBondContact O-N 3.14Å; N298-T300 WeakPolarHBondContact OD1-CB 3.31Å; N298-T300 PolarHBondContact OD1-N 3.49Å; N298-T300 VanDerWaalsContact OD1-N 3.13Å; N298-Q301 HydrophobicContact CB-CB 4.13Å; N298-Q301 HydrophobicContact CB-CG 4.19Å; N298-Q301 PolarHBondContact O-N 3.18Å; N298-Q301 PolarHBondContact OD1-N 3.19Å; N298-I302 WeakPolarHBondContact O-CG2 3.34Å; N298-I302 PolarHBondContact O-N 3.34Å; N298-I302 VanDerWaalsContact O-N 3.1Å
299	G	78.5	Confident	83	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-56.9	-40.3	-176.7	0	0	0	0	0	112.1	Q301 I302 C303 D339	G299-Q301 PolarHBondContact O-N 2.95Å; G299-I302 WeakPolarHBondContact O-CG2 3.41Å; G299-I302 PolarHBondContact O-N 3.41Å; G299-C303 WeakPolarHBondContact O-CB 3.44Å; G299-C303 PolarHBondContact O-N 3.03Å; G299-D339 WeakPolarHBondContact CA-OD1 3.35Å; G299-D339 WeakPolarHBondContact CA-OD2 3.22Å; G299-D339 PolarHBondContact N-OD1 3.46Å; G299-D339 PolarHBondContact N-OD2 2.86Å
300	T	76.9	Confident	80.7	Confident	97 Å²	97	55.7 Å²	55.7	60%	0.595	31%	0.308	S	S	*	.	H	α-helix	trans	-61.9	-27.3	177.4	-50.8	0	0	0	0	113.5	N298 D339	N298-T300 PolarHBondContact O-N 3.14Å; N298-T300 WeakPolarHBondContact OD1-CB 3.31Å; N298-T300 PolarHBondContact OD1-N 3.49Å; N298-T300 VanDerWaalsContact OD1-N 3.13Å; T300-D339 PolarHBondContact N-OD2 3.01Å; T300-D339 PolarHBondContact OG1-OD2 3.11Å; T300-D339 VanDerWaalsContact OG1-OD2 3.11Å
301	Q	80.1	Confident	78.6	Confident	143 Å²	143	62.2 Å²	62.2	67%	0.668	34%	0.339	S	S	*	.	H	α-helix	trans	-90.9	-35.3	178.2	-70.8	177.8	-19.9	0	0	113.8	N298 G299	N298-Q301 HydrophobicContact CB-CB 4.13Å; N298-Q301 HydrophobicContact CB-CG 4.19Å; N298-Q301 PolarHBondContact O-N 3.18Å; N298-Q301 PolarHBondContact OD1-N 3.19Å; G299-Q301 PolarHBondContact O-N 2.95Å
302	I	85.8	Confident	76.3	Confident	6 Å²	6	64.2 Å²	64.2	3%	0.031	35%	0.352	C	S	.	.	H	α-helix	trans	-79.7	-25.8	177.5	-168.8	-173.1	0	0	0	112	I277 I280 N298 G299 P304 F344	I277-I302 HydrophobicContact CB-CD1 4.47Å; I277-I302 HydrophobicContact CD1-CD1 4.25Å; I277-I302 HydrophobicContact CG2-CD1 3.58Å; I277-I302 HydrophobicContact CG2-CG1 3.8Å; I280-I302 HydrophobicContact CD1-CD1 4.33Å; I280-I302 HydrophobicContact CD1-CG1 4.15Å; I280-I302 HydrophobicContact CG1-CG1 4.25Å; N298-I302 WeakPolarHBondContact O-CG2 3.34Å; N298-I302 PolarHBondContact O-N 3.34Å; N298-I302 VanDerWaalsContact O-N 3.1Å; G299-I302 WeakPolarHBondContact O-CG2 3.41Å; G299-I302 PolarHBondContact O-N 3.41Å; I302-P304 VanDerWaalsContact O-CD 3.29Å; I302-P304 WeakPolarHBondContact O-CD 3.45Å; I302-F344 HydrophobicContact CD1-CE2 3.89Å; I302-F344 HydrophobicContact CD1-CZ 4.07Å; I302-F344 HydrophobicContact CG1-CE2 4.14Å; I302-F344 HydrophobicContact CG1-CZ 4.01Å; I302-F344 HydrophobicContact CG2-CE2 3.74Å; I302-F344 HydrophobicContact CG2-CZ 4.26Å
303	C	87.4	Confident	73.8	Confident	19 Å²	19	72.8 Å²	72.8	13%	0.128	39%	0.385	C	S	.	.			trans	-66.7	118.5	-173.5	-162	0	0	0	0	111.1	G299 V305 I307 C343	G299-C303 WeakPolarHBondContact O-CB 3.44Å; G299-C303 PolarHBondContact O-N 3.03Å; C303-V305 PolarHBondContact O-N 2.93Å; C303-V305 VanDerWaalsContact O-N 3.13Å; C303-V305 PolarHBondContact SG-O 3.31Å; C303-I307 HydrophobicContact CB-CD1 4.39Å; C303-I307 HydrophobicContact CB-CG1 4.16Å; C303-C343 WeakPolarHBondContact CA-SG 3.37Å; C303-C343 HydrophobicContact CB-CB 3.78Å; C303-C343 WeakPolarHBondContact CB-SG 3.39Å; C303-C343 WeakPolarHBondContact SG-CB 3.42Å; C303-C343 CovalentContact SG-SG 2.03Å; C303-C343 PolarHBondContact SG-SG 3.13Å
304	P	84.8	Confident	71.6	Confident	45 Å²	45	69.6 Å²	69.6	29%	0.292	39%	0.394	S	S	.	.	S	Bend	trans	-77.9	4.1	-176.5	31.1	-33.7	0	0	0	113.5	I280 A282 I302 P320	I280-P304 WeakPolarHBondContact O-CB 3.4Å; A282-P304 HydrophobicContact CB-CB 4.15Å; A282-P304 HydrophobicContact CB-CG 3.79Å; I302-P304 VanDerWaalsContact O-CD 3.29Å; I302-P304 WeakPolarHBondContact O-CD 3.45Å; P304-P320 HydrophobicContact CG-CB 4.13Å; P304-P320 HydrophobicContact CG-CG 3.98Å
305	V	79.6	Confident	69.7	Low	40 Å²	40	76.7 Å²	76.7	24%	0.242	43%	0.425	C	S	.	.	S	Bend	trans	-138	143.2	-179.3	-173.9	0	0	0	0	107.5	A282 C303 I307 P320	A282-V305 HydrophobicContact CB-CG2 4.48Å; C303-V305 PolarHBondContact O-N 2.93Å; C303-V305 VanDerWaalsContact O-N 3.13Å; C303-V305 PolarHBondContact SG-O 3.31Å; V305-I307 PolarHBondContact O-N 2.84Å; V305-P320 HydrophobicContact CG2-CG 4.18Å
306	S	68	Low	67.7	Low	70 Å²	70	82.3 Å²	82.3	49%	0.49	45%	0.445	S	S	.	.			trans	-62.7	124.4	178.6	178.3	0	0	0	0	111.2	A308 I309	S306-A308 PolarHBondContact O-N 3.27Å; S306-I309 WeakPolarHBondContact O-CB 3.49Å; S306-I309 PolarHBondContact O-N 2.03Å
307	I	58	Low	66.1	Low	35 Å²	35	81.2 Å²	81.2	18%	0.179	45%	0.447	C	S	.	.	H	α-helix	trans	-59.3	-34.7	-176.2	-62.6	175.8	0	0	0	111.5	C303 V305 I309 A310 D339 I342	C303-I307 HydrophobicContact CB-CD1 4.39Å; C303-I307 HydrophobicContact CB-CG1 4.16Å; V305-I307 PolarHBondContact O-N 2.84Å; I307-I309 PolarHBondContact O-N 3.2Å; I307-I309 VanDerWaalsContact O-N 3.13Å; I307-A310 WeakPolarHBondContact O-CB 3.09Å; I307-A310 PolarHBondContact O-N 3.18Å; I307-D339 HydrophobicContact CD1-CB 4.21Å; I307-I342 HydrophobicContact CG2-CG2 4.12Å
308	A	55	Low	65	Low	73 Å²	73	86.5 Å²	86.5	60%	0.603	48%	0.475	S	S	*	.	H	α-helix	trans	-60.7	-22	176.2	0	0	0	0	0	113.8	S306	S306-A308 PolarHBondContact O-N 3.27Å
309	I	51.3	Low	65	Low	106 Å²	106	85.9 Å²	85.9	54%	0.544	47%	0.471	S	S	.	.	H	α-helix	trans	-86.7	-23.5	176.7	-50.1	176.2	0	0	0	110.7	S306 I307 E311	S306-I309 WeakPolarHBondContact O-CB 3.49Å; S306-I309 PolarHBondContact O-N 2.03Å; I307-I309 PolarHBondContact O-N 3.2Å; I307-I309 VanDerWaalsContact O-N 3.13Å; I309-E311 VanDerWaalsContact C-N 3.31Å; I309-E311 PolarHBondContact O-N 3Å
310	A	51.5	Low	65.7	Low	31 Å²	31	86.3 Å²	86.3	26%	0.256	47%	0.474	S	S	.	.	H	α-helix	trans	-73.8	-21.3	-179.5	0	0	0	0	0	113.3	I307 R345	I307-A310 WeakPolarHBondContact O-CB 3.09Å; I307-A310 PolarHBondContact O-N 3.18Å; A310-R345 VanDerWaalsContact O-CZ 3.3Å; A310-R345 PolarHBondContact O-NH1 3.05Å; A310-R345 VanDerWaalsContact O-NH1 3.07Å; A310-R345 PolarHBondContact O-NH2 2.79Å
311	E	52.9	Low	66.5	Low	141 Å²	141	86.8 Å²	86.8	66%	0.659	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-26.4	-178.2	-63.2	-170.5	156.2	0	0	113.7	I309	I309-E311 VanDerWaalsContact C-N 3.31Å; I309-E311 PolarHBondContact O-N 3Å
312	D	49.7	Very low	67.3	Low	121 Å²	121	80 Å²	80	65%	0.647	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-23.2	-163.1	-159.8	35.8	0	0	0	115.5
313	Y	47.7	Very low	67.8	Low	188 Å²	188	84.7 Å²	84.7	74%	0.737	45%	0.45	S	S	*	.	S	Bend	trans	-132.2	135	-176.2	-79.1	-90	0	0	0	115.7	F315	Y313-F315 PolarHBondContact O-N 3.36Å
314	G	50.7	Low	68.3	Low	67 Å²	67	86.9 Å²	86.9	69%	0.691	46%	0.456	S	S	*	.			trans	-71.6	120.6	177.6	0	0	0	0	0	113.5
315	F	56	Low	68.8	Low	149 Å²	149	84.8 Å²	84.8	65%	0.654	44%	0.443	S	S	*	.			trans	23.1	101.4	149.5	-79.4	-109.9	0	0	0	117.9	Y313 I319	Y313-F315 PolarHBondContact O-N 3.36Å; F315-I319 HydrophobicContact CD1-CD1 3.34Å; F315-I319 HydrophobicContact CD2-CD1 3.96Å; F315-I319 HydrophobicContact CE1-CD1 3.13Å; F315-I319 HydrophobicContact CE2-CD1 3.77Å; F315-I319 HydrophobicContact CG-CD1 3.75Å; F315-I319 HydrophobicContact CZ-CD1 3.36Å
316	Y	48.2	Very low	69.6	Low	243 Å²	243	86.3 Å²	86.3	95%	0.953	44%	0.444	S	S	*	.	S	Bend	trans	-154.7	99.2	132.9	-75.5	-63.6	0	0	0	110.4
317	G	54.6	Low	71	Confident	61 Å²	61	83 Å²	83	63%	0.629	42%	0.42	S	S	*	.	S	Bend	trans	124.3	-68.6	162.5	0	0	0	0	0	117.2
318	N	65.8	Low	72.8	Confident	121 Å²	121	82.6 Å²	82.6	65%	0.647	42%	0.419	S	S	*	.			trans	-107.3	63.5	-162.7	-80.1	-5.8	0	0	0	114.3
319	I	83.1	Confident	74.7	Confident	47 Å²	47	81.3 Å²	81.3	24%	0.241	41%	0.413	C	S	.	.			trans	-95	129.9	168.4	-66	171.7	0	0	0	108.8	F315 R321 L346	F315-I319 HydrophobicContact CD1-CD1 3.34Å; F315-I319 HydrophobicContact CD2-CD1 3.96Å; F315-I319 HydrophobicContact CE1-CD1 3.13Å; F315-I319 HydrophobicContact CE2-CD1 3.77Å; F315-I319 HydrophobicContact CG-CD1 3.75Å; F315-I319 HydrophobicContact CZ-CD1 3.36Å; I319-R321 PolarHBondContact O-N 2.71Å; I319-L346 HydrophobicContact CG2-CD1 4.34Å
320	P	92.2	Very high	76.9	Confident	9 Å²	9	77.6 Å²	77.6	6%	0.058	39%	0.394	C	S	.	.			trans	-55	125.7	174.3	-25.9	35.3	0	0	0	111.9	A282 P304 V305 F344	A282-P320 WeakPolarHBondContact O-CA 3.44Å; P304-P320 HydrophobicContact CG-CB 4.13Å; P304-P320 HydrophobicContact CG-CG 3.98Å; V305-P320 HydrophobicContact CG2-CG 4.18Å; P320-F344 HydrophobicContact CB-CD1 3.45Å; P320-F344 VanDerWaalsContact CB-CD1 3.45Å; P320-F344 HydrophobicContact CB-CE1 3.63Å; P320-F344 HydrophobicContact CG-CD1 4.47Å
321	R	94.7	Very high	78.9	Confident	107 Å²	107	80.9 Å²	80.9	40%	0.404	40%	0.404	S	S	.	.			trans	-88.9	2.2	-171.5	-66.1	-166.5	174.7	-176.5	5.7	115.5	A282 Q283 L284 E285 I319 R323	A282-R321 PolarHBondContact O-N 3.41Å; Q283-R321 VanDerWaalsContact OE1-NE 3.13Å; L284-R321 CarbonylContact O-C 3.21Å; E285-R321 HydrophobicContact CG-CB 4.16Å; I319-R321 PolarHBondContact O-N 2.71Å; R321-R323 PolarHBondContact O-N 3.1Å; R321-R323 VanDerWaalsContact O-N 3.12Å
322	L	95.8	Very high	80.7	Confident	0 Å²	0	75.1 Å²	75.1	0%	0	38%	0.377	C	S	.	.			trans	-59.5	118.1	-175.2	-164.6	71.8	0	0	0	110.7	I280 L284 L287 L325 F344 L346 L347	I280-L322 HydrophobicContact CD1-CD2 4.43Å; L284-L322 HydrophobicContact CD2-CD1 4.24Å; L284-L322 HydrophobicContact CG-CD1 4.28Å; L284-L322 WeakPolarHBondContact O-CA 3.36Å; L284-L322 PolarHBondContact O-N 3.05Å; L287-L322 HydrophobicContact CB-CD1 3.75Å; L322-L325 HydrophobicContact CD2-CB 4.2Å; L322-L325 HydrophobicContact CD2-CD2 4.45Å; L322-F344 HydrophobicContact CB-CB 4.42Å; L322-F344 HydrophobicContact CB-CD1 3.41Å; L322-F344 VanDerWaalsContact CB-CD1 3.41Å; L322-F344 HydrophobicContact CB-CE1 3.86Å; L322-F344 HydrophobicContact CB-CG 4.04Å; L322-F344 HydrophobicContact CD2-CD1 4.02Å; L322-F344 HydrophobicContact CD2-CD2 4.27Å; L322-F344 HydrophobicContact CD2-CE1 4.08Å; L322-F344 HydrophobicContact CD2-CE2 4.33Å; L322-F344 HydrophobicContact CD2-CG 4.13Å; L322-F344 HydrophobicContact CD2-CZ 4.25Å; L322-F344 HydrophobicContact CG-CD1 4.37Å; L322-L346 CarbonylContact O-C 3.37Å; L322-L347 HydrophobicContact CD2-CD1 4.3Å; L322-L347 HydrophobicContact CG-CD1 4.2Å; L322-L347 WeakPolarHBondContact O-CA 3.29Å; L322-L347 PolarHBondContact O-N 2.63Å
323	R	96.3	Very high	82.4	Confident	105 Å²	105	79.8 Å²	79.8	40%	0.396	39%	0.386	S	S	.	.			trans	-107.1	-30.3	-178.3	-82	166.6	158.5	170.6	-8.2	112.5	E285 R321 Q348 A349	E285-R323 PolarHBondContact O-N 3.32Å; E285-R323 IonicContact OE2-CZ 2.62Å; E285-R323 IonicContact OE2-NH1 2.72Å; E285-R323 PolarHBondContact OE2-NH1 3.38Å; R321-R323 PolarHBondContact O-N 3.1Å; R321-R323 VanDerWaalsContact O-N 3.12Å; R323-Q348 PolarHBondContact O-N 2.98Å; R323-A349 PolarHBondContact O-N 2.96Å
324	Y	97.6	Very high	84	Confident	66 Å²	66	75.4 Å²	75.4	26%	0.259	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	124.9	-177.6	-172.8	-106.1	0	0	0	110.7	E285 L287 H288 R326 A349 V351	E285-Y324 PolarHBondContact O-N 3.34Å; L287-Y324 PolarHBondContact N-O 2.94Å; H288-Y324 AromaticContact CE1-CE1 3.52Å; H288-Y324 AromaticContact NE2-CD1 3.76Å; H288-Y324 AromaticContact NE2-CE1 3.71Å; Y324-R326 HydrophobicContact CD1-CB 4.46Å; Y324-R326 HydrophobicContact CE1-CB 3.67Å; Y324-R326 HydrophobicContact CE1-CG 4.36Å; Y324-A349 HydrophobicContact CD2-CB 4.09Å; Y324-A349 HydrophobicContact CE2-CB 4.26Å; Y324-V351 HydrophobicContact CE2-CG2 4.13Å
325	L	95.9	Very high	85.7	Confident	1 Å²	1	77.7 Å²	77.7	1%	0.005	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	117.3	175.6	177.6	56.9	0	0	0	109.6	L287 L322 L327 L347 A349 V350 V351	L287-L325 HydrophobicContact CB-CD1 4.09Å; L287-L325 HydrophobicContact CD2-CD1 3.91Å; L287-L325 HydrophobicContact CG-CD1 4Å; L322-L325 HydrophobicContact CD2-CB 4.2Å; L322-L325 HydrophobicContact CD2-CD2 4.45Å; L325-L327 HydrophobicContact CD1-CD1 4.25Å; L325-L327 HydrophobicContact CD1-CD2 4.34Å; L325-L327 HydrophobicContact CD1-CG 4.07Å; L325-L327 HydrophobicContact CD2-CD1 3.88Å; L325-L327 HydrophobicContact CG-CD1 3.85Å; L325-L327 HydrophobicContact CG-CG 4.02Å; L325-L347 HydrophobicContact CB-CD1 3.91Å; L325-A349 PolarHBondContact N-O 3.13Å; L325-V350 HydrophobicContact CB-CG1 4.23Å; L325-V350 HydrophobicContact CB-CG2 4.37Å; L325-V350 HydrophobicContact CD2-CG1 4.26Å; L325-V350 HydrophobicContact CG-CG1 4.15Å; L325-V350 VanDerWaalsContact O-CA 3.28Å; L325-V350 WeakPolarHBondContact O-CA 3.47Å; L325-V351 PolarHBondContact O-N 2.96Å; L325-V351 VanDerWaalsContact O-N 3.09Å
326	R	97	Very high	86.9	Confident	71 Å²	71	72.3 Å²	72.3	27%	0.268	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	121.4	-179	-165.4	178.9	174.7	-155	3.9	111.1	L287 L289 D290 Y324 D328 V351	L287-R326 PolarHBondContact O-N 2.78Å; L289-R326 CarbonylContact C-O 3.17Å; L289-R326 WeakPolarHBondContact CA-O 3.38Å; L289-R326 PolarHBondContact N-O 2.96Å; D290-R326 HydrophobicContact CB-CG 4.07Å; D290-R326 VanDerWaalsContact CG-CZ 3.48Å; D290-R326 PolarHBondContact N-O 3.18Å; D290-R326 WeakPolarHBondContact OD1-CD 3.14Å; D290-R326 IonicContact OD1-CZ 3.05Å; D290-R326 IonicContact OD1-NE 2.69Å; D290-R326 PolarHBondContact OD1-NE 3.28Å; D290-R326 IonicContact OD1-NH1 2.63Å; D290-R326 PolarHBondContact OD1-NH1 3.38Å; D290-R326 VanDerWaalsContact OD1-NH1 3.12Å; D290-R326 IonicContact OD2-CZ 3.28Å; D290-R326 IonicContact OD2-NH1 4Å; D290-R326 PolarHBondContact OD2-NH1 3.27Å; D290-R326 IonicContact OD2-NH2 2.75Å; Y324-R326 HydrophobicContact CD1-CB 4.46Å; Y324-R326 HydrophobicContact CE1-CB 3.67Å; Y324-R326 HydrophobicContact CE1-CG 4.36Å; R326-D328 WeakPolarHBondContact CG-OD1 3.02Å; R326-D328 IonicContact CZ-OD1 3.11Å; R326-D328 IonicContact CZ-OD2 2.75Å; R326-D328 IonicContact NE-OD1 2.7Å; R326-D328 PolarHBondContact NE-OD1 2.67Å; R326-D328 IonicContact NE-OD2 3.89Å; R326-D328 PolarHBondContact NE-OD2 2.76Å; R326-D328 IonicContact NH2-OD1 3.73Å; R326-D328 IonicContact NH2-OD2 3.74Å; R326-D328 PolarHBondContact NH2-OD2 3.16Å; R326-V351 HydrophobicContact CG-CB 4.12Å
327	L	96.2	Very high	88.7	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.329	C	S	.	.			trans	-135.9	4.7	-171.2	-69.1	168.9	0	0	0	113.6	I277 L289 I294 V297 L325 N330 I332 V350 V351	I277-L327 HydrophobicContact CD1-CD2 4.19Å; I277-L327 HydrophobicContact CG1-CD2 4.38Å; L289-L327 HydrophobicContact CB-CD2 3.85Å; L289-L327 HydrophobicContact CD1-CD2 4.24Å; I294-L327 HydrophobicContact CD1-CD2 4.07Å; V297-L327 HydrophobicContact CG2-CD1 3.86Å; L325-L327 HydrophobicContact CD1-CD1 4.25Å; L325-L327 HydrophobicContact CD1-CD2 4.34Å; L325-L327 HydrophobicContact CD1-CG 4.07Å; L325-L327 HydrophobicContact CD2-CD1 3.88Å; L325-L327 HydrophobicContact CG-CD1 3.85Å; L325-L327 HydrophobicContact CG-CG 4.02Å; L327-N330 WeakPolarHBondContact O-CB 3.27Å; L327-N330 PolarHBondContact O-ND2 3.17Å; L327-I332 HydrophobicContact CB-CD1 3.93Å; L327-I332 HydrophobicContact CD1-CD1 3.99Å; L327-I332 HydrophobicContact CD2-CD1 4.06Å; L327-I332 HydrophobicContact CG-CD1 4.23Å; L327-V350 HydrophobicContact CD1-CG1 4.34Å; L327-V351 CarbonylContact C-O 3.48Å; L327-V351 WeakPolarHBondContact CA-O 3.47Å; L327-V351 WeakPolarHBondContact CB-O 3.27Å; L327-V351 PolarHBondContact N-O 3.24Å
328	D	95.8	Very high	90.1	Very high	28 Å²	28	66 Å²	66	15%	0.15	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	152.4	179	49	-63.2	0	0	0	112.9	D290 H291 R326 N330 V351 I352	D290-D328 CarbonylContact C-O 3.52Å; D290-D328 WeakPolarHBondContact CA-O 2.97Å; D290-D328 WeakPolarHBondContact CB-O 3.41Å; H291-D328 PolarHBondContact N-O 3.16Å; R326-D328 WeakPolarHBondContact CG-OD1 3.02Å; R326-D328 IonicContact CZ-OD1 3.11Å; R326-D328 IonicContact CZ-OD2 2.75Å; R326-D328 IonicContact NE-OD1 2.7Å; R326-D328 PolarHBondContact NE-OD1 2.67Å; R326-D328 IonicContact NE-OD2 3.89Å; R326-D328 PolarHBondContact NE-OD2 2.76Å; R326-D328 IonicContact NH2-OD1 3.73Å; R326-D328 IonicContact NH2-OD2 3.74Å; R326-D328 PolarHBondContact NH2-OD2 3.16Å; D328-N330 VanDerWaalsContact C-N 3.26Å; D328-N330 PolarHBondContact O-N 3.32Å; D328-V351 HydrophobicContact CB-CG1 4.08Å; D328-V351 PolarHBondContact N-O 3.25Å; D328-V351 WeakPolarHBondContact OD1-CG1 3.38Å; D328-I352 WeakPolarHBondContact CA-OXT 3.43Å
329	G	96.1	Very high	91	Very high	46 Å²	46	62 Å²	62	47%	0.474	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	14.8	-178	0	0	0	0	0	115.3
330	N	96.9	Very high	91.2	Very high	27 Å²	27	59.8 Å²	59.8	14%	0.144	30%	0.298	C	S	.	.	S	Bend	trans	-94.4	179.9	168.9	-78.5	-86.5	0	0	0	112.2	L289 N292 R293 I294 L327 D328 I332	L289-N330 PolarHBondContact O-ND2 2.73Å; N292-N330 VanDerWaalsContact CA-OD1 3.27Å; N292-N330 WeakPolarHBondContact CA-OD1 3.11Å; N292-N330 WeakPolarHBondContact CB-OD1 3.45Å; N292-N330 PolarHBondContact N-OD1 3.27Å; N292-N330 PolarHBondContact O-OD1 3.34Å; R293-N330 PolarHBondContact N-OD1 3.48Å; I294-N330 HydrophobicContact CB-CB 4.23Å; I294-N330 VanDerWaalsContact CB-OD1 3.28Å; I294-N330 WeakPolarHBondContact CB-OD1 3.45Å; I294-N330 WeakPolarHBondContact CG1-OD1 3.28Å; I294-N330 PolarHBondContact N-OD1 3.44Å; L327-N330 WeakPolarHBondContact O-CB 3.27Å; L327-N330 PolarHBondContact O-ND2 3.17Å; D328-N330 VanDerWaalsContact C-N 3.26Å; D328-N330 PolarHBondContact O-N 3.32Å; N330-I332 VanDerWaalsContact C-N 3.26Å; N330-I332 HydrophobicContact CB-CD1 4.06Å; N330-I332 HydrophobicContact CB-CG1 3.84Å; N330-I332 PolarHBondContact O-N 3.31Å
331	E	93.8	Very high	90.9	Very high	100 Å²	100	63 Å²	63	47%	0.467	31%	0.313	S	S	.	.	S	Bend	trans	-86.1	14.5	176.5	-66.9	179.1	-133.5	0	0	113.2	I294 K295	I294-E331 CarbonylContact O-C 3.36Å; I294-E331 WeakPolarHBondContact O-CA 3.41Å; I294-E331 PolarHBondContact O-N 3.12Å; K295-E331 WeakPolarHBondContact CE-OE2 3.41Å; K295-E331 HydrophobicContact CG-CB 4.05Å; K295-E331 IonicContact NZ-OE1 2.73Å; K295-E331 IonicContact NZ-OE2 3.29Å; K295-E331 PolarHBondContact NZ-OE2 3.38Å; K295-E331 VanDerWaalsContact NZ-OE2 3.08Å
332	I	91	Very high	90.5	Very high	20 Å²	20	60.2 Å²	60.2	10%	0.103	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-76.1	134.8	-172.6	-47.8	173.6	0	0	0	110.5	I294 V297 L327 N330 I352	I294-I332 HydrophobicContact CB-CD1 4.29Å; I294-I332 HydrophobicContact CB-CG1 4.32Å; I294-I332 HydrophobicContact CG2-CD1 3.97Å; I294-I332 HydrophobicContact CG2-CG1 4.12Å; I294-I332 WeakPolarHBondContact O-CG1 3.42Å; I294-I332 PolarHBondContact O-N 3.03Å; V297-I332 HydrophobicContact CG2-CD1 3.95Å; V297-I332 HydrophobicContact CG2-CG2 4.39Å; L327-I332 HydrophobicContact CB-CD1 3.93Å; L327-I332 HydrophobicContact CD1-CD1 3.99Å; L327-I332 HydrophobicContact CD2-CD1 4.06Å; L327-I332 HydrophobicContact CG-CD1 4.23Å; N330-I332 VanDerWaalsContact C-N 3.26Å; N330-I332 HydrophobicContact CB-CD1 4.06Å; N330-I332 HydrophobicContact CB-CG1 3.84Å; N330-I332 PolarHBondContact O-N 3.31Å; I332-I352 HydrophobicContact CB-CD1 3.91Å; I332-I352 HydrophobicContact CB-CG1 4.42Å; I332-I352 HydrophobicContact CG2-CD1 3.6Å
333	R	84.4	Confident	90.1	Very high	220 Å²	220	60.5 Å²	60.5	83%	0.83	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-100	126.2	171.8	-62.5	-176.9	-176.6	-173.1	0.1	110.1
334	P	82.8	Confident	89.9	Confident	96 Å²	96	55.7 Å²	55.7	62%	0.623	29%	0.29	S	S	*	.	S	Bend	trans	-58.1	156.2	170.4	-25.3	34.8	0	0	0	112.6	I352	P334-I352 HydrophobicContact CG-CD1 4.23Å
335	P	84.9	Confident	89.5	Confident	115 Å²	115	58.9 Å²	58.9	75%	0.747	30%	0.301	S	S	*	.	S	Bend	cis	-80.5	161.4	2.3	34	-36.3	0	0	0	113.4
336	I	82	Confident	89.3	Confident	36 Å²	36	62.6 Å²	62.6	19%	0.185	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-65.7	131.9	166.4	-62.4	154.1	0	0	0	108.1	V340 M341 V350 I352	I336-V340 HydrophobicContact CG2-CB 4.11Å; I336-V340 HydrophobicContact CG2-CG1 4.26Å; I336-V340 HydrophobicContact CG2-CG2 4.2Å; I336-M341 HydrophobicContact CB-CE 4.18Å; I336-M341 HydrophobicContact CD1-CE 4.11Å; I336-M341 HydrophobicContact CG2-CE 3.92Å; I336-V350 HydrophobicContact CD1-CB 3.61Å; I336-V350 HydrophobicContact CD1-CG1 3.45Å; I336-V350 VanDerWaalsContact CD1-CG1 3.45Å; I336-V350 HydrophobicContact CD1-CG2 4.18Å; I336-V350 HydrophobicContact CG1-CG1 4.43Å; I336-I352 HydrophobicContact CD1-CG2 4.44Å; I336-I352 HydrophobicContact CG1-CD1 4.22Å
337	P	85.5	Confident	89.1	Confident	44 Å²	44	60.6 Å²	60.6	29%	0.286	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-57.3	141.3	179.4	-30.3	39	0	0	0	114	D339 V340	P337-D339 VanDerWaalsContact C-N 3.27Å; P337-D339 WeakPolarHBondContact CB-OD1 3.37Å; P337-D339 PolarHBondContact O-N 2.86Å; P337-V340 HydrophobicContact CB-CG2 4.22Å; P337-V340 WeakPolarHBondContact O-CB 3.15Å; P337-V340 PolarHBondContact O-N 3.43Å
338	L	84.7	Confident	88.9	Confident	127 Å²	127	68.1 Å²	68.1	67%	0.665	35%	0.351	S	S	*	.	H	α-helix	trans	-64.1	-30.4	-176.6	-176.4	63.5	0	0	0	112.8	V340 M341 I342	L338-V340 VanDerWaalsContact C-N 3.25Å; L338-V340 PolarHBondContact O-N 2.74Å; L338-M341 PolarHBondContact O-N 3.25Å; L338-I342 HydrophobicContact CD2-CD1 4.35Å; L338-I342 HydrophobicContact CG-CD1 3.96Å; L338-I342 HydrophobicContact CG-CG1 4.31Å; L338-I342 WeakPolarHBondContact O-CG1 3.03Å; L338-I342 PolarHBondContact O-N 3.07Å
339	D	85.2	Confident	88.7	Confident	37 Å²	37	68.7 Å²	68.7	20%	0.198	36%	0.36	C	S	.	.	H	α-helix	trans	-64.2	-29	179	65.7	-22.8	0	0	0	112.7	G299 T300 I307 P337 I342 C343	G299-D339 WeakPolarHBondContact CA-OD1 3.35Å; G299-D339 WeakPolarHBondContact CA-OD2 3.22Å; G299-D339 PolarHBondContact N-OD1 3.46Å; G299-D339 PolarHBondContact N-OD2 2.86Å; T300-D339 PolarHBondContact N-OD2 3.01Å; T300-D339 PolarHBondContact OG1-OD2 3.11Å; T300-D339 VanDerWaalsContact OG1-OD2 3.11Å; I307-D339 HydrophobicContact CD1-CB 4.21Å; P337-D339 VanDerWaalsContact C-N 3.27Å; P337-D339 WeakPolarHBondContact CB-OD1 3.37Å; P337-D339 PolarHBondContact O-N 2.86Å; D339-I342 PolarHBondContact O-N 3.41Å; D339-C343 WeakPolarHBondContact O-CB 3.06Å; D339-C343 PolarHBondContact O-N 2.9Å
340	V	87.1	Confident	88.5	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-61.2	-46.3	169.6	-176.3	0	0	0	0	110.7	V297 I336 P337 L338 C343 F344 L347	V297-V340 HydrophobicContact CB-CG2 4.4Å; V297-V340 HydrophobicContact CG1-CG2 3.41Å; V297-V340 VanDerWaalsContact CG1-CG2 3.41Å; I336-V340 HydrophobicContact CG2-CB 4.11Å; I336-V340 HydrophobicContact CG2-CG1 4.26Å; I336-V340 HydrophobicContact CG2-CG2 4.2Å; P337-V340 HydrophobicContact CB-CG2 4.22Å; P337-V340 WeakPolarHBondContact O-CB 3.15Å; P337-V340 PolarHBondContact O-N 3.43Å; L338-V340 VanDerWaalsContact C-N 3.25Å; L338-V340 PolarHBondContact O-N 2.74Å; V340-C343 PolarHBondContact O-N 3.1Å; V340-F344 HydrophobicContact CG1-CD2 3.97Å; V340-F344 HydrophobicContact CG1-CE2 4.43Å; V340-F344 WeakPolarHBondContact O-CD2 3.22Å; V340-F344 PolarHBondContact O-N 2.85Å; V340-L347 HydrophobicContact CG1-CD2 4.47Å
341	M	85.7	Confident	88.2	Confident	77 Å²	77	69.4 Å²	69.4	38%	0.379	36%	0.355	S	S	.	.	H	α-helix	trans	-71.9	-33.5	-179.1	-57.5	-61.4	-180	0	0	112.1	I336 L338 L347 V350	I336-M341 HydrophobicContact CB-CE 4.18Å; I336-M341 HydrophobicContact CD1-CE 4.11Å; I336-M341 HydrophobicContact CG2-CE 3.92Å; L338-M341 PolarHBondContact O-N 3.25Å; M341-L347 HydrophobicContact SD-CD2 4.06Å; M341-V350 HydrophobicContact CE-CG2 4Å
342	I	85.4	Confident	87.8	Confident	48 Å²	48	68.7 Å²	68.7	25%	0.246	35%	0.354	C	S	.	.	H	α-helix	trans	-65.7	-40.5	174.3	-68.1	168.1	0	0	0	110.8	I307 L338 D339 R345	I307-I342 HydrophobicContact CG2-CG2 4.12Å; L338-I342 HydrophobicContact CD2-CD1 4.35Å; L338-I342 HydrophobicContact CG-CD1 3.96Å; L338-I342 HydrophobicContact CG-CG1 4.31Å; L338-I342 WeakPolarHBondContact O-CG1 3.03Å; L338-I342 PolarHBondContact O-N 3.07Å; D339-I342 PolarHBondContact O-N 3.41Å; I342-R345 VanDerWaalsContact O-CG 3.31Å; I342-R345 WeakPolarHBondContact O-CG 3.16Å; I342-R345 PolarHBondContact O-NE 3.13Å
343	C	88.7	Confident	87.7	Confident	6 Å²	6	71.2 Å²	71.2	4%	0.041	37%	0.367	C	S	.	.	H	α-helix	trans	-70.2	-57.3	177.3	178.4	0	0	0	0	112.5	C303 D339 V340 R345	C303-C343 WeakPolarHBondContact CA-SG 3.37Å; C303-C343 HydrophobicContact CB-CB 3.78Å; C303-C343 WeakPolarHBondContact CB-SG 3.39Å; C303-C343 WeakPolarHBondContact SG-CB 3.42Å; C303-C343 CovalentContact SG-SG 2.03Å; C303-C343 PolarHBondContact SG-SG 3.13Å; D339-C343 WeakPolarHBondContact O-CB 3.06Å; D339-C343 PolarHBondContact O-N 2.9Å; V340-C343 PolarHBondContact O-N 3.1Å; C343-R345 PolarHBondContact O-N 3.22Å
344	F	91	Very high	87.8	Confident	4 Å²	4	63.3 Å²	63.3	2%	0.018	34%	0.342	C	S	.	.			trans	-93.7	67.8	-174.2	-57.8	-72.1	0	0	0	111.2	I280 I302 P320 L322 V340 L346 L347	I280-F344 HydrophobicContact CD1-CE1 4.13Å; I280-F344 HydrophobicContact CD1-CZ 4Å; I302-F344 HydrophobicContact CD1-CE2 3.89Å; I302-F344 HydrophobicContact CD1-CZ 4.07Å; I302-F344 HydrophobicContact CG1-CE2 4.14Å; I302-F344 HydrophobicContact CG1-CZ 4.01Å; I302-F344 HydrophobicContact CG2-CE2 3.74Å; I302-F344 HydrophobicContact CG2-CZ 4.26Å; P320-F344 HydrophobicContact CB-CD1 3.45Å; P320-F344 VanDerWaalsContact CB-CD1 3.45Å; P320-F344 HydrophobicContact CB-CE1 3.63Å; P320-F344 HydrophobicContact CG-CD1 4.47Å; L322-F344 HydrophobicContact CB-CB 4.42Å; L322-F344 HydrophobicContact CB-CD1 3.41Å; L322-F344 VanDerWaalsContact CB-CD1 3.41Å; L322-F344 HydrophobicContact CB-CE1 3.86Å; L322-F344 HydrophobicContact CB-CG 4.04Å; L322-F344 HydrophobicContact CD2-CD1 4.02Å; L322-F344 HydrophobicContact CD2-CD2 4.27Å; L322-F344 HydrophobicContact CD2-CE1 4.08Å; L322-F344 HydrophobicContact CD2-CE2 4.33Å; L322-F344 HydrophobicContact CD2-CG 4.13Å; L322-F344 HydrophobicContact CD2-CZ 4.25Å; L322-F344 HydrophobicContact CG-CD1 4.37Å; V340-F344 HydrophobicContact CG1-CD2 3.97Å; V340-F344 HydrophobicContact CG1-CE2 4.43Å; V340-F344 WeakPolarHBondContact O-CD2 3.22Å; V340-F344 PolarHBondContact O-N 2.85Å; F344-L346 PolarHBondContact O-N 2.96Å; F344-L347 HydrophobicContact CB-CB 4Å; F344-L347 HydrophobicContact CB-CD2 4.16Å; F344-L347 WeakPolarHBondContact O-CB 3.46Å; F344-L347 PolarHBondContact O-N 2.93Å
345	R	89.7	Confident	88.1	Confident	133 Å²	133	61.5 Å²	61.5	50%	0.502	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-11.9	-178.4	-59.7	-176.6	-179.7	167.4	-1.6	114.9	A310 I342 C343	A310-R345 VanDerWaalsContact O-CZ 3.3Å; A310-R345 PolarHBondContact O-NH1 3.05Å; A310-R345 VanDerWaalsContact O-NH1 3.07Å; A310-R345 PolarHBondContact O-NH2 2.79Å; I342-R345 VanDerWaalsContact O-CG 3.31Å; I342-R345 WeakPolarHBondContact O-CG 3.16Å; I342-R345 PolarHBondContact O-NE 3.13Å; C343-R345 PolarHBondContact O-N 3.22Å
346	L	91.9	Very high	88.3	Confident	80 Å²	80	58.4 Å²	58.4	42%	0.419	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	1.7	177.4	-61.1	-179.6	0	0	0	113.2	I319 L322 F344 Q348	I319-L346 HydrophobicContact CG2-CD1 4.34Å; L322-L346 CarbonylContact O-C 3.37Å; F344-L346 PolarHBondContact O-N 2.96Å; L346-Q348 WeakPolarHBondContact O-CG 3.35Å; L346-Q348 PolarHBondContact O-N 3.36Å
347	L	92.1	Very high	88.7	Confident	29 Å²	29	59.8 Å²	59.8	15%	0.152	31%	0.309	C	S	.	.			trans	-68.5	113.9	-177.7	-166.2	59.1	0	0	0	110.4	L322 L325 V340 M341 F344 V350	L322-L347 HydrophobicContact CD2-CD1 4.3Å; L322-L347 HydrophobicContact CG-CD1 4.2Å; L322-L347 WeakPolarHBondContact O-CA 3.29Å; L322-L347 PolarHBondContact O-N 2.63Å; L325-L347 HydrophobicContact CB-CD1 3.91Å; V340-L347 HydrophobicContact CG1-CD2 4.47Å; M341-L347 HydrophobicContact SD-CD2 4.06Å; F344-L347 HydrophobicContact CB-CB 4Å; F344-L347 HydrophobicContact CB-CD2 4.16Å; F344-L347 WeakPolarHBondContact O-CB 3.46Å; F344-L347 PolarHBondContact O-N 2.93Å; L347-V350 HydrophobicContact CD1-CG2 4.26Å; L347-V350 HydrophobicContact CD2-CG2 3.39Å; L347-V350 HydrophobicContact CG-CG2 3.76Å
348	Q	92.8	Very high	88.9	Confident	157 Å²	157	60.8 Å²	60.8	73%	0.734	31%	0.311	S	S	*	.			trans	-92.3	-31.2	-175.5	-60.3	-177.2	-15.4	0	0	112.1	R323 L346	R323-Q348 PolarHBondContact O-N 2.98Å; L346-Q348 WeakPolarHBondContact O-CG 3.35Å; L346-Q348 PolarHBondContact O-N 3.36Å
349	A	91.4	Very high	89.2	Confident	41 Å²	41	56.1 Å²	56.1	34%	0.339	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	142.1	176.4	0	0	0	0	0	111.3	R323 Y324 L325	R323-A349 PolarHBondContact O-N 2.96Å; Y324-A349 HydrophobicContact CD2-CB 4.09Å; Y324-A349 HydrophobicContact CE2-CB 4.26Å; L325-A349 PolarHBondContact N-O 3.13Å
350	V	90.8	Very high	89.5	Confident	36 Å²	36	57.5 Å²	57.5	22%	0.218	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	130.9	161.1	-167.3	0	0	0	0	108.2	L325 L327 I336 M341 L347	L325-V350 HydrophobicContact CB-CG1 4.23Å; L325-V350 HydrophobicContact CB-CG2 4.37Å; L325-V350 HydrophobicContact CD2-CG1 4.26Å; L325-V350 HydrophobicContact CG-CG1 4.15Å; L325-V350 VanDerWaalsContact O-CA 3.28Å; L325-V350 WeakPolarHBondContact O-CA 3.47Å; L327-V350 HydrophobicContact CD1-CG1 4.34Å; I336-V350 HydrophobicContact CD1-CB 3.61Å; I336-V350 HydrophobicContact CD1-CG1 3.45Å; I336-V350 VanDerWaalsContact CD1-CG1 3.45Å; I336-V350 HydrophobicContact CD1-CG2 4.18Å; I336-V350 HydrophobicContact CG1-CG1 4.43Å; M341-V350 HydrophobicContact CE-CG2 4Å; L347-V350 HydrophobicContact CD1-CG2 4.26Å; L347-V350 HydrophobicContact CD2-CG2 3.39Å; L347-V350 HydrophobicContact CG-CG2 3.76Å
351	V	90.8	Very high	89.7	Confident	52 Å²	52	62.3 Å²	62.3	32%	0.315	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	130.4	175.5	-170	0	0	0	0	107.7	Y324 L325 R326 L327 D328	Y324-V351 HydrophobicContact CE2-CG2 4.13Å; L325-V351 PolarHBondContact O-N 2.96Å; L325-V351 VanDerWaalsContact O-N 3.09Å; R326-V351 HydrophobicContact CG-CB 4.12Å; L327-V351 CarbonylContact C-O 3.48Å; L327-V351 WeakPolarHBondContact CA-O 3.47Å; L327-V351 WeakPolarHBondContact CB-O 3.27Å; L327-V351 PolarHBondContact N-O 3.24Å; D328-V351 HydrophobicContact CB-CG1 4.08Å; D328-V351 PolarHBondContact N-O 3.25Å; D328-V351 WeakPolarHBondContact OD1-CG1 3.38Å
352	I	86.6	Confident	90.1	Very high	85 Å²	85	61 Å²	61	44%	0.436	31%	0.311	S	S	.	.			trans	-144	0	-175	-175.1	170	0	0	0	110.2	D328 I332 P334 I336	D328-I352 WeakPolarHBondContact CA-OXT 3.43Å; I332-I352 HydrophobicContact CB-CD1 3.91Å; I332-I352 HydrophobicContact CB-CG1 4.42Å; I332-I352 HydrophobicContact CG2-CD1 3.6Å; P334-I352 HydrophobicContact CG-CD1 4.23Å; I336-I352 HydrophobicContact CD1-CG2 4.44Å; I336-I352 HydrophobicContact CG1-CD1 4.22Å

Retrieved 352 of 352 residues in 332.9 ms (Link to these results)

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