A0A3Q0KLZ9_SCHMA Loading...

Putative shoc2 AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KLZ9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 648 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.9	Very low	34.5	Very low	234 Å²	234	151.2 Å²	151.2	100%	1.153	87%	0.865	S	S	*	*				0	66.7	0	-63.9	-179	172.6	0	0	107.3
2	T	32.1	Very low	34.3	Very low	136 Å²	136	156.7 Å²	156.7	83%	0.834	86%	0.864	S	S	*	*				46.4	97.9	81.7	58.2	0	0	0	0	114.8
3	S	34.9	Very low	34.1	Very low	121 Å²	121	158.4 Å²	158.4	85%	0.846	87%	0.865	S	S	*	*				-180	119.5	110.8	56	0	0	0	0	111.7
4	N	31	Very low	33.7	Very low	150 Å²	150	158 Å²	158	80%	0.802	86%	0.862	S	S	*	*			trans	-69.9	152.5	164.4	-78.1	-38.7	0	0	0	111.1
5	H	41.2	Very low	33.4	Very low	195 Å²	195	154.1 Å²	154.1	90%	0.903	85%	0.851	S	S	*	*			trans	-142	124.4	138.7	-104.1	-68.9	0	0	0	111
6	K	32.5	Very low	33	Very low	198 Å²	198	155.5 Å²	155.5	86%	0.861	85%	0.852	S	S	*	*			trans	-84.6	147.7	171.8	-76.1	174	168.1	179.1	0	110
7	S	36.6	Very low	32.8	Very low	122 Å²	122	153.2 Å²	153.2	85%	0.853	85%	0.848	S	S	*	*				-159.5	134	129.4	59	0	0	0	0	111.2
8	S	32.5	Very low	32.8	Very low	126 Å²	126	153.5 Å²	153.5	88%	0.881	85%	0.846	S	S	*	*			trans	-82.8	157.8	-174.7	45.2	0	0	0	0	114.4
9	G	34.8	Very low	32.6	Very low	70 Å²	70	149.6 Å²	149.6	72%	0.722	85%	0.845	S	S	*	*			trans	172	92	162.3	0	0	0	0	0	114.8
10	D	34.9	Very low	32.4	Very low	164 Å²	164	150.4 Å²	150.4	88%	0.877	85%	0.845	S	S	*	*			trans	67.5	116.2	144.6	-56.9	-22.3	0	0	0	124.2
11	N	29.9	Very low	32.2	Very low	147 Å²	147	148 Å²	148	79%	0.786	84%	0.838	S	S	*	*			trans	-31.8	143.6	158	-63.3	-37.1	0	0	0	116.6
12	Y	32.2	Very low	31.7	Very low	217 Å²	217	144.6 Å²	144.6	85%	0.851	82%	0.817	S	S	*	*				-178	141.6	115.3	-111.1	-87.4	0	0	0	111.1
13	M	32.1	Very low	31.6	Very low	179 Å²	179	146.4 Å²	146.4	88%	0.882	82%	0.82	S	S	*	*			trans	91.1	110.9	163.8	-66.6	-63.1	-166.2	0	0	120.2
14	D	28.9	Very low	31.3	Very low	153 Å²	153	147 Å²	147	82%	0.818	81%	0.813	S	S	*	*			trans	-76.1	155.4	175.6	-88	-49.6	0	0	0	113.8
15	S	27.9	Very low	31.2	Very low	100 Å²	100	147.9 Å²	147.9	70%	0.699	81%	0.812	S	S	*	*			trans	68.5	99.6	144	69.5	0	0	0	0	119.2
16	M	28.4	Very low	30.7	Very low	176 Å²	176	147.9 Å²	147.9	87%	0.867	81%	0.812	S	S	*	*				168.2	155.6	109.3	-87.6	-174.6	-155.2	0	0	108.3
17	C	28.2	Very low	30.5	Very low	116 Å²	116	143.2 Å²	143.2	78%	0.784	81%	0.805	S	S	*	*			trans	81.1	81	174.9	-52.1	0	0	0	0	117.2
18	I	32.6	Very low	30.2	Very low	159 Å²	159	144.6 Å²	144.6	82%	0.815	80%	0.802	S	S	*	*			trans	-143.2	103.2	138.8	-57.4	-174.5	0	0	0	108.4	I20	I18-I20 HydrophobicContact CG2-CG1 4.35Å
19	G	29.8	Very low	30.1	Very low	79 Å²	79	143.1 Å²	143.1	81%	0.814	79%	0.792	S	S	*	*			trans	-72	127.3	158.1	0	0	0	0	0	109.1
20	I	28	Very low	30	Very low	165 Å²	165	146.8 Å²	146.8	85%	0.846	80%	0.795	S	S	*	*			trans	-92.7	119.8	-179.9	-65.8	174	0	0	0	108.5	I18	I18-I20 HydrophobicContact CG2-CG1 4.35Å
21	S	28.6	Very low	29.8	Very low	102 Å²	102	146.1 Å²	146.1	71%	0.713	79%	0.791	S	S	*	*			trans	-136.9	132.1	156.3	-173.8	0	0	0	0	109.7
22	K	28.6	Very low	29.9	Very low	161 Å²	161	146.9 Å²	146.9	70%	0.7	80%	0.795	S	S	*	*			trans	73.9	118.9	170.4	-68.2	175.5	177.5	176	0	118.4
23	I	29.9	Very low	29.7	Very low	174 Å²	174	141.5 Å²	141.5	89%	0.892	79%	0.787	S	S	*	*				-155	130.9	111.6	-88	145.8	0	0	0	109.2
24	L	29.2	Very low	29.6	Very low	133 Å²	133	138.7 Å²	138.7	70%	0.696	79%	0.785	S	S	*	*			trans	-75	152.1	179.5	-79.4	140.7	0	0	0	113.4
25	H	29.1	Very low	29.7	Very low	170 Å²	170	137.2 Å²	137.2	79%	0.787	79%	0.787	S	S	*	*			trans	45	114.9	148.1	-72.1	-61.6	0	0	0	120.8
26	Q	30.2	Very low	30	Very low	195 Å²	195	139.4 Å²	139.4	91%	0.911	80%	0.796	S	S	*	*				-159.3	138.2	118.3	-108.5	171.7	17.2	0	0	111.6
27	S	27.4	Very low	30.1	Very low	100 Å²	100	138 Å²	138	70%	0.699	79%	0.792	S	S	*	*			trans	-66.9	143	-176.3	46.3	0	0	0	0	115
28	N	30.8	Very low	30	Very low	151 Å²	151	141.4 Å²	141.4	81%	0.807	80%	0.796	S	S	*	*				-179.4	122.7	127.8	-89	-18	0	0	0	112.8
29	S	31.1	Very low	30.1	Very low	95 Å²	95	138.7 Å²	138.7	66%	0.664	79%	0.791	S	S	*	*			trans	30.2	134.1	143	58.5	0	0	0	0	123.3
30	D	32	Very low	30.1	Very low	147 Å²	147	146.3 Å²	146.3	79%	0.786	80%	0.796	S	S	*	*			trans	105.2	106	146.8	-58.9	-17.1	0	0	0	120
31	D	31.7	Very low	30.1	Very low	149 Å²	149	142.9 Å²	142.9	80%	0.797	78%	0.784	S	S	*	*			trans	47.2	98.5	139.2	-67.2	-21.4	0	0	0	121.6
32	N	30.9	Very low	30.2	Very low	163 Å²	163	143.6 Å²	143.6	87%	0.872	79%	0.789	S	S	*	*				179.9	151.2	124.5	-109.9	-40.1	0	0	0	112.6
33	P	29.1	Very low	30.3	Very low	104 Å²	104	142.3 Å²	142.3	68%	0.675	79%	0.794	S	S	*	*			trans	-86.6	156.6	-179.2	35.4	-29.3	0	0	0	111.6
34	S	29.9	Very low	30.3	Very low	121 Å²	121	138.1 Å²	138.1	85%	0.846	78%	0.781	S	S	*	*			trans	89.5	93.7	166.7	76.8	0	0	0	0	118.6
35	S	30.6	Very low	30.1	Very low	122 Å²	122	138.6 Å²	138.6	85%	0.853	78%	0.784	S	S	*	*			trans	-160.5	104.5	140.6	54.8	0	0	0	0	108.5
36	V	33.3	Very low	30.1	Very low	145 Å²	145	136.4 Å²	136.4	88%	0.879	78%	0.778	S	S	*	*			trans	-87.8	124.5	167.2	176	0	0	0	0	106.6
37	D	30.8	Very low	30.2	Very low	148 Å²	148	133.9 Å²	133.9	79%	0.791	77%	0.769	S	S	*	*			trans	-63.8	131.8	-177.5	-149.3	-11.3	0	0	0	111.5	S39	D37-S39 PolarHBondContact O-N 2.74Å
38	E	27.4	Very low	30.6	Very low	186 Å²	186	135.1 Å²	135.1	87%	0.869	77%	0.768	S	S	*	*			trans	-88.6	79.2	178.3	-77.9	-168.5	157.7	0	0	110.2
39	S	33.9	Very low	30.5	Very low	103 Å²	103	133 Å²	133	72%	0.72	77%	0.765	S	S	*	*			trans	-99.3	101.5	160.8	62.3	0	0	0	0	109.4	D37 P41	D37-S39 PolarHBondContact O-N 2.74Å; S39-P41 WeakPolarHBondContact O-CD 3.47Å
40	R	29	Very low	30.6	Very low	239 Å²	239	131.1 Å²	131.1	90%	0.902	75%	0.748	S	S	*	*			trans	-69.3	121.9	174.3	-80.2	179.3	173.8	179.7	-0.9	110.6
41	P	29.8	Very low	30.7	Very low	93 Å²	93	132.9 Å²	132.9	60%	0.604	75%	0.751	S	S	*	*			trans	-82.1	133.8	158.8	13.9	2.8	0	0	0	108.8	S39 V43	S39-P41 WeakPolarHBondContact O-CD 3.47Å; P41-V43 PolarHBondContact O-N 3.1Å
42	S	30.6	Very low	30.8	Very low	116 Å²	116	135.3 Å²	135.3	81%	0.811	75%	0.75	S	S	*	*			trans	-55.9	115.8	163.8	46.7	0	0	0	0	109.2	S44	S42-S44 PolarHBondContact O-N 2.92Å
43	V	29.9	Very low	31.1	Very low	134 Å²	134	131.7 Å²	131.7	81%	0.812	73%	0.727	S	S	*	*			trans	-64.8	102.2	174.6	178.3	0	0	0	0	108.1	P41	P41-V43 PolarHBondContact O-N 3.1Å
44	S	28.8	Very low	30.9	Very low	87 Å²	87	134.7 Å²	134.7	61%	0.608	73%	0.732	S	S	*	*			trans	-68.9	139.3	159	53.1	0	0	0	0	108.5	S42 D46	S42-S44 PolarHBondContact O-N 2.92Å; S44-D46 VanDerWaalsContact C-N 3.27Å; S44-D46 PolarHBondContact O-N 2.66Å
45	N	26.4	Very low	30.8	Very low	143 Å²	143	135.4 Å²	135.4	77%	0.765	73%	0.725	S	S	*	*			trans	-67.2	76.4	-178.3	-72	-37.3	0	0	0	111.9	I47	N45-I47 PolarHBondContact O-N 2.71Å; N45-I47 VanDerWaalsContact O-N 3.16Å
46	D	29.3	Very low	30.5	Very low	123 Å²	123	137.7 Å²	137.7	66%	0.658	72%	0.722	S	S	*	*			trans	-84.6	74.5	162.6	-73.8	-12.4	0	0	0	108	S44 D48 K329	S44-D46 VanDerWaalsContact C-N 3.27Å; S44-D46 PolarHBondContact O-N 2.66Å; D46-D48 PolarHBondContact O-N 2.76Å; D46-K329 IonicContact OD2-NZ 3.6Å; D46-K329 PolarHBondContact OD2-NZ 2.77Å
47	I	31.8	Very low	30.3	Very low	142 Å²	142	139.8 Å²	139.8	73%	0.728	72%	0.722	S	S	*	*			trans	-77.1	111.8	165.5	-65.7	174.2	0	0	0	106.5	N45 S49	N45-I47 PolarHBondContact O-N 2.71Å; N45-I47 VanDerWaalsContact O-N 3.16Å; I47-S49 PolarHBondContact O-N 3.03Å
48	D	35.8	Very low	30	Very low	126 Å²	126	136.9 Å²	136.9	67%	0.674	72%	0.719	S	S	*	*			trans	-48.7	101.2	168.8	-98.2	-35.8	0	0	0	110.1	D46 D50	D46-D48 PolarHBondContact O-N 2.76Å; D48-D50 VanDerWaalsContact C-N 3.28Å; D48-D50 PolarHBondContact O-N 3.12Å
49	S	29	Very low	29.9	Very low	107 Å²	107	132.8 Å²	132.8	75%	0.748	71%	0.711	S	S	*	*			trans	-91.1	70	161.1	51.9	0	0	0	0	108	I47 Q51	I47-S49 PolarHBondContact O-N 3.03Å; S49-Q51 PolarHBondContact O-N 2.9Å
50	D	32.8	Very low	29.6	Very low	56 Å²	56	139.1 Å²	139.1	30%	0.299	72%	0.719	S	S	.	*			trans	-68	96.3	173.1	-108	-18.7	0	0	0	109	D48 Y52 F53 K279	D48-D50 VanDerWaalsContact C-N 3.28Å; D48-D50 PolarHBondContact O-N 3.12Å; D50-Y52 PolarHBondContact O-N 3.34Å; D50-F53 PolarHBondContact O-N 3.13Å; D50-K279 IonicContact OD1-NZ 2.69Å; D50-K279 PolarHBondContact OD1-NZ 3.18Å; D50-K279 IonicContact OD2-NZ 3.31Å; D50-K279 PolarHBondContact OD2-NZ 3.14Å
51	Q	33.8	Very low	29.5	Very low	183 Å²	183	132.7 Å²	132.7	86%	0.855	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.3	-1	178.7	-84.6	-174.6	-8.4	0	0	115	S49	S49-Q51 PolarHBondContact O-N 2.9Å
52	Y	33.6	Very low	29.3	Very low	201 Å²	201	135.3 Å²	135.3	79%	0.788	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	-1.2	176.8	-89.3	-87	0	0	0	114.7	D50	D50-Y52 PolarHBondContact O-N 3.34Å
53	F	36.7	Very low	29.2	Very low	86 Å²	86	133 Å²	133	38%	0.377	72%	0.719	S	S	.	*			trans	-132.1	69.8	179.2	-63.9	-78.7	0	0	0	112.4	D50 I55 H232	D50-F53 PolarHBondContact O-N 3.13Å; F53-I55 PolarHBondContact O-N 2.69Å; F53-H232 AromaticContact CE1-CE1 3.99Å; F53-H232 AromaticContact CE1-ND1 3.67Å; F53-H232 AromaticContact CZ-CE1 3.74Å; F53-H232 AromaticContact CZ-ND1 3.44Å; F53-H232 WeakPolarHBondContact CZ-ND1 3.38Å
54	Q	25.1	Very low	28.9	Very low	168 Å²	168	135 Å²	135	79%	0.785	72%	0.722	S	S	*	*			trans	-83	102.7	158.6	-79.4	-174.8	-3.9	0	0	109.1
55	I	27.7	Very low	28.9	Very low	135 Å²	135	138.2 Å²	138.2	69%	0.692	73%	0.732	S	S	*	*			trans	-81.2	117.8	155.3	-59.2	176.7	0	0	0	105.5	F53 E57	F53-I55 PolarHBondContact O-N 2.69Å; I55-E57 PolarHBondContact O-N 2.83Å
56	H	26.2	Very low	28.8	Very low	170 Å²	170	138.1 Å²	138.1	79%	0.787	73%	0.731	S	S	*	*			trans	-59.4	99.7	172.2	-87.4	-79.9	0	0	0	109.7	A58	H56-A58 PolarHBondContact O-N 2.75Å; H56-A58 VanDerWaalsContact O-N 3.09Å
57	E	27.4	Very low	28.8	Very low	189 Å²	189	139.8 Å²	139.8	88%	0.883	74%	0.738	S	S	*	*			trans	-70.9	97.8	158.6	-80.9	-168.5	160.8	0	0	108.3	I55 S59	I55-E57 PolarHBondContact O-N 2.83Å; E57-S59 PolarHBondContact O-N 2.6Å; E57-S59 VanDerWaalsContact O-N 3.12Å
58	A	26.1	Very low	28.6	Very low	88 Å²	88	138.5 Å²	138.5	73%	0.727	73%	0.733	S	S	*	*			trans	-71.2	100.8	167.8	0	0	0	0	0	109.6	H56	H56-A58 PolarHBondContact O-N 2.75Å; H56-A58 VanDerWaalsContact O-N 3.09Å
59	S	25.1	Very low	28.3	Very low	100 Å²	100	138.5 Å²	138.5	70%	0.699	74%	0.74	S	S	*	*			trans	54.1	106.6	147.5	61.6	0	0	0	0	118.5	E57	E57-S59 PolarHBondContact O-N 2.6Å; E57-S59 VanDerWaalsContact O-N 3.12Å
60	R	27.8	Very low	28.1	Very low	236 Å²	236	141.8 Å²	141.8	89%	0.891	74%	0.741	S	S	*	*				-180	122.9	111.2	-95.3	168.2	-172.7	-161	2.3	112.7
61	S	27.2	Very low	27.8	Very low	103 Å²	103	144.9 Å²	144.9	72%	0.72	77%	0.766	S	S	*	*			trans	54.9	102.2	149.6	62.3	0	0	0	0	119.9
62	T	24.7	Very low	27.4	Very low	148 Å²	148	144 Å²	144	91%	0.908	76%	0.763	S	S	*	*				25.7	107.6	126.5	54.8	0	0	0	0	117.3
63	G	27.7	Very low	27	Very low	68 Å²	68	140.3 Å²	140.3	70%	0.701	76%	0.761	S	S	*	*			trans	-175.8	81.4	169.2	0	0	0	0	0	110.6	L65	G63-L65 PolarHBondContact O-N 3.29Å
64	M	24.2	Very low	26.6	Very low	175 Å²	175	144.8 Å²	144.8	86%	0.862	78%	0.781	S	S	*	*			trans	-46.8	115	169.7	-140.6	170.7	97.1	0	0	109.6
65	L	27.9	Very low	26.8	Very low	156 Å²	156	143.9 Å²	143.9	82%	0.817	78%	0.781	S	S	*	*			trans	-129.3	95.4	167.9	-89.4	166.8	0	0	0	108.5	G63 I67	G63-L65 PolarHBondContact O-N 3.29Å; L65-I67 PolarHBondContact O-N 3.08Å
66	D	25.6	Very low	27.1	Very low	140 Å²	140	142.1 Å²	142.1	75%	0.749	78%	0.781	S	S	*	*			trans	-52.3	112.1	162.9	-81.7	-44	0	0	0	110	N68	D66-N68 PolarHBondContact O-N 2.87Å
67	I	29.4	Very low	27.3	Very low	159 Å²	159	143.2 Å²	143.2	82%	0.815	78%	0.783	S	S	*	*			trans	-95.6	92.7	166.9	-54.4	178.9	0	0	0	107.6	L65 P69	L65-I67 PolarHBondContact O-N 3.08Å; I67-P69 WeakPolarHBondContact O-CD 3.34Å
68	N	27.7	Very low	27.7	Very low	115 Å²	115	143 Å²	143	62%	0.615	78%	0.782	S	S	*	*			trans	-67.9	116.7	171.9	-167.2	-6.4	0	0	0	110.4	D66 K70	D66-N68 PolarHBondContact O-N 2.87Å; N68-K70 VanDerWaalsContact C-N 3.25Å; N68-K70 PolarHBondContact O-N 3.21Å
69	P	28.5	Very low	27.7	Very low	126 Å²	126	142.5 Å²	142.5	82%	0.818	79%	0.786	S	S	*	*			trans	-86	69	172.5	34.7	-30.2	0	0	0	109.7	I67 C71	I67-P69 WeakPolarHBondContact O-CD 3.34Å; P69-C71 PolarHBondContact O-N 3.05Å
70	K	25.8	Very low	28.1	Very low	175 Å²	175	145.8 Å²	145.8	76%	0.761	79%	0.794	S	S	*	*			trans	-93.6	82.8	161.3	-85.1	-174.7	179.2	180	0	109.3	N68	N68-K70 VanDerWaalsContact C-N 3.25Å; N68-K70 PolarHBondContact O-N 3.21Å
71	C	26	Very low	28	Very low	122 Å²	122	145.7 Å²	145.7	82%	0.824	79%	0.793	S	S	*	*			trans	-137.3	91.6	155.8	-98	0	0	0	0	109.3	P69 V73	P69-C71 PolarHBondContact O-N 3.05Å; C71-V73 PolarHBondContact O-N 2.92Å
72	M	25	Very low	28.1	Very low	165 Å²	165	149.3 Å²	149.3	81%	0.813	80%	0.804	S	S	*	*			trans	-59	114.7	165.4	-66.3	165.6	61.8	0	0	109.2
73	V	26.2	Very low	28.4	Very low	123 Å²	123	148.1 Å²	148.1	75%	0.745	80%	0.8	S	S	*	*			trans	-85.3	106.3	159.3	179.6	0	0	0	0	106.3	C71	C71-V73 PolarHBondContact O-N 2.92Å
74	K	28.2	Very low	28.3	Very low	180 Å²	180	150.3 Å²	150.3	78%	0.783	80%	0.804	S	S	*	*			trans	-81.7	107	161.9	-89.8	-175.2	172.6	-177.8	0	107
75	D	27.7	Very low	28.6	Very low	148 Å²	148	154.1 Å²	154.1	79%	0.791	81%	0.809	S	S	*	*			trans	-76.9	115.5	164.7	-94.3	-25.8	0	0	0	108.9
76	S	35.3	Very low	28.7	Very low	98 Å²	98	157.5 Å²	157.5	69%	0.685	81%	0.811	S	S	*	*			trans	-126	97.7	159.8	56.1	0	0	0	0	109.1	H78	S76-H78 PolarHBondContact O-N 2.92Å
77	K	30.4	Very low	28.8	Very low	193 Å²	193	162.3 Å²	162.3	84%	0.839	82%	0.818	S	S	*	*			trans	-71.9	97.5	167.5	-77.7	176.8	176.7	170.3	0	109.3
78	H	35.2	Very low	28.9	Very low	185 Å²	185	158.3 Å²	158.3	86%	0.856	82%	0.816	S	S	*	*			trans	-143.8	112.2	155.5	-81.3	89.2	0	0	0	109.3	S76	S76-H78 PolarHBondContact O-N 2.92Å
79	G	26.8	Very low	29	Very low	78 Å²	78	158.3 Å²	158.3	80%	0.804	83%	0.825	S	S	*	*			trans	-79.4	153.1	-174.8	0	0	0	0	0	113.9
80	I	32.8	Very low	29.1	Very low	169 Å²	169	159.5 Å²	159.5	87%	0.867	83%	0.825	S	S	*	*			trans	-137.6	123.1	159.9	-59.1	-177.5	0	0	0	109.3
81	R	26.8	Very low	29.4	Very low	234 Å²	234	160.1 Å²	160.1	88%	0.883	84%	0.835	S	S	*	*			trans	-61.2	139.4	173.1	-79.2	171.6	165.2	165.7	-4.7	111.5
82	L	28.3	Very low	29.6	Very low	179 Å²	179	158.8 Å²	158.8	94%	0.937	83%	0.827	S	S	*	*			trans	-109.3	108.3	160.4	-89.7	158.3	0	0	0	109.8
83	C	30.2	Very low	30.2	Very low	122 Å²	122	160.7 Å²	160.7	82%	0.824	83%	0.83	S	S	*	*			trans	-73.6	127.6	167.8	-81.4	0	0	0	0	110.3
84	S	27.1	Very low	30.7	Very low	114 Å²	114	164.7 Å²	164.7	80%	0.797	84%	0.838	S	S	*	*			trans	-75.2	133.7	167	64.5	0	0	0	0	111
85	R	30.2	Very low	31.4	Very low	256 Å²	256	159.4 Å²	159.4	97%	0.966	82%	0.821	S	S	*	*			trans	-136.6	138.4	152.9	-111.5	-179.1	174.8	-177.9	-1.4	110.9
86	R	29	Very low	32.1	Very low	226 Å²	226	157 Å²	157	85%	0.853	81%	0.811	S	S	*	*			trans	-81.4	163.8	-167.2	-67.8	176.6	164.5	176.8	-6.5	113.3
87	R	29	Very low	32.5	Very low	241 Å²	241	157.5 Å²	157.5	91%	0.909	80%	0.801	S	S	*	*			trans	88.4	126.4	155.6	-61.5	-171.7	-179.8	178.7	-0	116.1
88	G	29.7	Very low	33.1	Very low	75 Å²	75	152.6 Å²	152.6	77%	0.773	79%	0.787	S	S	*	*			trans	140.1	103.6	170.3	0	0	0	0	0	111.3	D90	G88-D90 PolarHBondContact O-N 3.15Å
89	S	30.7	Very low	33.4	Very low	115 Å²	115	149.9 Å²	149.9	80%	0.804	78%	0.775	S	S	*	*			trans	-52.9	119.2	167.8	46.6	0	0	0	0	111.6
90	D	30.7	Very low	34	Very low	152 Å²	152	149.1 Å²	149.1	81%	0.813	76%	0.756	S	S	*	*			trans	-176.8	127.4	138.7	-103.9	-27.6	0	0	0	110.6	G88 S92	G88-D90 PolarHBondContact O-N 3.15Å; D90-S92 VanDerWaalsContact C-N 3.26Å; D90-S92 PolarHBondContact O-N 3Å
91	I	31.7	Very low	34.7	Very low	188 Å²	188	150.7 Å²	150.7	96%	0.964	76%	0.759	S	S	*	*			trans	-77.4	80.5	176.1	-61.7	161.5	0	0	0	107
92	S	31.5	Very low	36.1	Very low	94 Å²	94	144.1 Å²	144.1	66%	0.657	74%	0.741	S	S	*	*			trans	-116.8	131.1	168.8	66.6	0	0	0	0	110.2	D90 K94	D90-S92 VanDerWaalsContact C-N 3.26Å; D90-S92 PolarHBondContact O-N 3Å; S92-K94 PolarHBondContact O-N 3.33Å
93	K	37.8	Very low	37	Very low	204 Å²	204	137.8 Å²	137.8	89%	0.887	72%	0.719	S	S	*	*			trans	-55	106.9	-173.5	-70	172.4	177.2	173	0	110.7	T95	K93-T95 PolarHBondContact O-N 2.57Å; K93-T95 VanDerWaalsContact O-N 3.12Å
94	K	35	Very low	37.6	Very low	208 Å²	208	138.7 Å²	138.7	90%	0.904	71%	0.709	S	S	*	*			trans	-64.3	111.8	171.4	-82	-176.6	175.9	179.5	0	109.8	S92	S92-K94 PolarHBondContact O-N 3.33Å
95	T	43.9	Very low	38.2	Very low	68 Å²	68	139.3 Å²	139.3	42%	0.417	70%	0.703	S	S	.	*			trans	-90.1	125	171.6	-53.8	0	0	0	0	107.9	K93 F97 K107	K93-T95 PolarHBondContact O-N 2.57Å; K93-T95 VanDerWaalsContact O-N 3.12Å; T95-F97 HydrophobicContact CG2-CD2 4.45Å; T95-F97 HydrophobicContact CG2-CE2 3.8Å; T95-F97 HydrophobicContact CG2-CZ 3.86Å; T95-K107 HydrophobicContact CG2-CD 4.36Å; T95-K107 HydrophobicContact CG2-CG 3.84Å
96	V	42.3	Very low	38.8	Very low	97 Å²	97	132.2 Å²	132.2	59%	0.588	68%	0.679	S	S	*	*			trans	-96.8	133.4	176.7	-177.8	0	0	0	0	108.7	V108	V96-V108 WeakPolarHBondContact O-CB 3.16Å; V96-V108 PolarHBondContact O-N 3.25Å
97	F	44.6	Very low	39.5	Very low	110 Å²	110	128 Å²	128	48%	0.482	67%	0.667	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.3	141.4	174.6	-64.5	-92.6	0	0	0	108.7	T95 L105 K107	T95-F97 HydrophobicContact CG2-CD2 4.45Å; T95-F97 HydrophobicContact CG2-CE2 3.8Å; T95-F97 HydrophobicContact CG2-CZ 3.86Å; F97-L105 HydrophobicContact CB-CD2 4.15Å; F97-K107 HydrophobicContact CD1-CB 4.21Å; F97-K107 HydrophobicContact CE1-CB 3.78Å; F97-K107 HydrophobicContact CE1-CG 4.04Å; F97-K107 HydrophobicContact CZ-CG 4.45Å
98	V	42.3	Very low	40.1	Very low	89 Å²	89	120 Å²	120	54%	0.539	65%	0.645	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117.9	131.7	172.5	-176.9	0	0	0	0	107.3	F106 V108	V98-F106 PolarHBondContact N-O 2.95Å; V98-F106 PolarHBondContact O-N 3Å; V98-V108 HydrophobicContact CB-CG2 4.41Å; V98-V108 HydrophobicContact CG2-CG2 3.72Å
99	Q	41.2	Very low	40.5	Very low	128 Å²	128	120.9 Å²	120.9	60%	0.598	64%	0.635	S	S	*	*			trans	-113.1	112.6	-178.4	-170.7	175.4	17.3	0	0	109.1	G103	Q99-G103 PolarHBondContact NE2-O 3.29Å
100	P	38.7	Very low	40.8	Very low	62 Å²	62	120.1 Å²	120.1	40%	0.403	63%	0.63	S	S	.	*			trans	-79.1	173.8	168.2	-0.9	19.9	0	0	0	110.8	D102 G103 K104 F106	P100-D102 WeakPolarHBondContact CB-OD1 3.4Å; P100-D102 WeakPolarHBondContact CG-OD1 3.03Å; P100-D102 PolarHBondContact O-N 3.47Å; P100-G103 PolarHBondContact O-N 2.62Å; P100-K104 WeakPolarHBondContact CD-O 3.28Å; P100-F106 HydrophobicContact CG-CD2 3.91Å; P100-F106 HydrophobicContact CG-CE2 3.81Å
101	H	47.6	Very low	40.9	Very low	203 Å²	203	124 Å²	124	94%	0.94	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.8	-8.4	-177.5	-92.3	-79.1	0	0	0	115.6
102	D	57.6	Low	41.1	Very low	95 Å²	95	122.7 Å²	122.7	51%	0.508	62%	0.622	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.1	4	-179.4	64.9	-18.3	0	0	0	113.9	P100 K104	P100-D102 WeakPolarHBondContact CB-OD1 3.4Å; P100-D102 WeakPolarHBondContact CG-OD1 3.03Å; P100-D102 PolarHBondContact O-N 3.47Å; D102-K104 PolarHBondContact O-N 3.13Å; D102-K104 VanDerWaalsContact O-N 3.1Å
103	G	46	Very low	41.2	Very low	46 Å²	46	123.6 Å²	123.6	47%	0.474	63%	0.629	S	S	.	*			trans	74.7	-4	171.8	0	0	0	0	0	115.2	Q99 P100	Q99-G103 PolarHBondContact NE2-O 3.29Å; P100-G103 PolarHBondContact O-N 2.62Å
104	K	42.3	Very low	41	Very low	142 Å²	142	122 Å²	122	62%	0.617	63%	0.627	S	S	*	*			trans	-81.8	127.5	178.8	-74.7	179.4	-179.9	173.8	0	111.1	P100 D102 F106	P100-K104 WeakPolarHBondContact CD-O 3.28Å; D102-K104 PolarHBondContact O-N 3.13Å; D102-K104 VanDerWaalsContact O-N 3.1Å; K104-F106 HydrophobicContact CB-CD2 4.49Å; K104-F106 HydrophobicContact CB-CE2 3.79Å; K104-F106 HydrophobicContact CB-CZ 4.09Å; K104-F106 VanDerWaalsContact O-CD2 3.24Å; K104-F106 WeakPolarHBondContact O-CD2 3.18Å; K104-F106 WeakPolarHBondContact O-CE2 3.47Å; K104-F106 PolarHBondContact O-N 3.25Å
105	L	41.4	Very low	41.2	Very low	126 Å²	126	121.2 Å²	121.2	66%	0.66	62%	0.623	S	S	*	*			trans	-77.4	111	175.3	-77.3	162.4	0	0	0	110.2	F97	F97-L105 HydrophobicContact CB-CD2 4.15Å
106	F	41.9	Very low	41.5	Very low	108 Å²	108	127.6 Å²	127.6	47%	0.474	65%	0.645	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.3	119	171.4	-64.1	-88.5	0	0	0	109.7	V98 P100 K104 V108	V98-F106 PolarHBondContact N-O 2.95Å; V98-F106 PolarHBondContact O-N 3Å; P100-F106 HydrophobicContact CG-CD2 3.91Å; P100-F106 HydrophobicContact CG-CE2 3.81Å; K104-F106 HydrophobicContact CB-CD2 4.49Å; K104-F106 HydrophobicContact CB-CE2 3.79Å; K104-F106 HydrophobicContact CB-CZ 4.09Å; K104-F106 VanDerWaalsContact O-CD2 3.24Å; K104-F106 WeakPolarHBondContact O-CD2 3.18Å; K104-F106 WeakPolarHBondContact O-CE2 3.47Å; K104-F106 PolarHBondContact O-N 3.25Å; F106-V108 PolarHBondContact O-N 3.07Å
107	K	43.2	Very low	42.2	Very low	136 Å²	136	127.3 Å²	127.3	59%	0.591	65%	0.653	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-67.4	113.5	168.5	-173.5	175.2	-178.9	175.9	0	107.8	T95 F97 V109	T95-K107 HydrophobicContact CG2-CD 4.36Å; T95-K107 HydrophobicContact CG2-CG 3.84Å; F97-K107 HydrophobicContact CD1-CB 4.21Å; F97-K107 HydrophobicContact CE1-CB 3.78Å; F97-K107 HydrophobicContact CE1-CG 4.04Å; F97-K107 HydrophobicContact CZ-CG 4.45Å; K107-V109 VanDerWaalsContact C-N 3.28Å; K107-V109 PolarHBondContact O-N 3.28Å
108	V	42.8	Very low	43.1	Very low	75 Å²	75	130.9 Å²	130.9	46%	0.455	67%	0.668	S	S	.	*			trans	-69.9	95.5	168	-176	0	0	0	0	106.3	V96 V98 F106 S110	V96-V108 WeakPolarHBondContact O-CB 3.16Å; V96-V108 PolarHBondContact O-N 3.25Å; V98-V108 HydrophobicContact CB-CG2 4.41Å; V98-V108 HydrophobicContact CG2-CG2 3.72Å; F106-V108 PolarHBondContact O-N 3.07Å; V108-S110 PolarHBondContact O-N 3Å
109	V	38.3	Very low	44.3	Very low	93 Å²	93	131.6 Å²	131.6	56%	0.564	67%	0.674	S	S	*	*			trans	-61.4	113.1	166.3	-175.8	0	0	0	0	105	K107 R111	K107-V109 VanDerWaalsContact C-N 3.28Å; K107-V109 PolarHBondContact O-N 3.28Å; V109-R111 VanDerWaalsContact C-N 3.28Å; V109-R111 PolarHBondContact O-N 3.47Å
110	S	36.7	Very low	46.2	Very low	99 Å²	99	127.7 Å²	127.7	69%	0.692	66%	0.661	S	S	*	*			trans	-56.1	103.6	167.3	69.2	0	0	0	0	105.4	V108 H112	V108-S110 PolarHBondContact O-N 3Å; S110-H112 PolarHBondContact O-N 3.08Å
111	R	32.7	Very low	48.3	Very low	234 Å²	234	129.9 Å²	129.9	88%	0.883	67%	0.669	S	S	*	*			trans	-51.9	123.5	174.5	-86.5	-174.7	175.6	173.6	-0.8	105.7	V109 S113	V109-R111 VanDerWaalsContact C-N 3.28Å; V109-R111 PolarHBondContact O-N 3.47Å; R111-S113 PolarHBondContact O-N 3.12Å
112	H	35.9	Very low	50.3	Low	159 Å²	159	120.4 Å²	120.4	74%	0.736	63%	0.625	S	S	*	*			trans	-48.3	138.8	-171	-67.5	25	0	0	0	109.1	S110 M114	S110-H112 PolarHBondContact O-N 3.08Å; H112-M114 PolarHBondContact O-N 3.17Å
113	S	32.6	Very low	51.8	Low	113 Å²	113	118.8 Å²	118.8	79%	0.79	62%	0.621	S	S	*	*			trans	-4.5	91.2	165	-172.7	0	0	0	0	112.2	R111 K115	R111-S113 PolarHBondContact O-N 3.12Å; S113-K115 PolarHBondContact O-N 3.25Å
114	M	34.5	Very low	53.8	Low	171 Å²	171	123.9 Å²	123.9	84%	0.842	63%	0.63	S	S	*	*			trans	-59.8	104.6	163.4	-77.9	-166.9	-74	0	0	103.4	H112 K116	H112-M114 PolarHBondContact O-N 3.17Å; M114-K116 PolarHBondContact O-N 2.98Å
115	K	39.6	Very low	56.1	Low	192 Å²	192	120 Å²	120	84%	0.835	61%	0.614	S	S	*	*			trans	-45.2	112.1	166.5	-84.4	-177.5	175	178.5	0	104.2	S113 A117	S113-K115 PolarHBondContact O-N 3.25Å; K115-A117 PolarHBondContact O-N 2.92Å
116	K	48.9	Very low	58.5	Low	202 Å²	202	114.5 Å²	114.5	88%	0.878	59%	0.586	S	S	*	*			trans	-48.7	109.4	175.7	-86.9	-177.2	174.3	-179.1	0	104.9	M114 K118	M114-K116 PolarHBondContact O-N 2.98Å; K116-K118 PolarHBondContact O-N 3.14Å; K116-K118 VanDerWaalsContact O-N 3.1Å
117	A	57.1	Low	60.8	Low	90 Å²	90	111.8 Å²	111.8	74%	0.744	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-53.1	125.5	175.9	0	0	0	0	0	105.5	K115	K115-A117 PolarHBondContact O-N 2.92Å
118	K	64.5	Low	63	Low	185 Å²	185	111.2 Å²	111.2	80%	0.804	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-54.5	132.6	178.1	-169.6	178.3	178.5	-172.6	0	106.3	K116	K116-K118 PolarHBondContact O-N 3.14Å; K116-K118 VanDerWaalsContact O-N 3.1Å
119	P	67.1	Low	65.4	Low	104 Å²	104	107.9 Å²	107.9	68%	0.675	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-51.6	138.2	178.9	19.8	-31.5	0	0	0	109	D121	P119-D121 PolarHBondContact O-N 3.25Å
120	P	79.8	Confident	67.9	Low	47 Å²	47	108.6 Å²	108.6	31%	0.305	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-53.8	130.5	178.1	-13.7	22.2	0	0	0	109	M142 L144	P120-M142 WeakPolarHBondContact CG-O 3.06Å; P120-L144 HydrophobicContact CB-CD2 3.83Å; P120-L144 HydrophobicContact CG-CD2 3.85Å
121	D	84	Confident	70.5	Confident	108 Å²	108	110.1 Å²	110.1	58%	0.578	56%	0.56	S	S	*	*			trans	-89.1	110.6	177.4	-173.5	0.4	0	0	0	108.8	P119 S123	P119-D121 PolarHBondContact O-N 3.25Å; D121-S123 VanDerWaalsContact C-N 3.35Å; D121-S123 WeakPolarHBondContact OD1-CB 3.27Å; D121-S123 PolarHBondContact OD1-N 3.04Å; D121-S123 PolarHBondContact OD1-OG 3.07Å
122	I	90.2	Very high	73.3	Confident	3 Å²	3	101.6 Å²	101.6	2%	0.015	54%	0.537	C	S	.	.			trans	-92	3.3	179.6	61.1	177.2	0	0	0	112.9	K124 E125 V126 F139 M142 L144 I147 I151	I122-K124 PolarHBondContact O-N 3.1Å; I122-E125 VanDerWaalsContact C-OE2 3.31Å; I122-E125 VanDerWaalsContact CA-OE2 3.3Å; I122-E125 WeakPolarHBondContact CA-OE2 3.48Å; I122-E125 PolarHBondContact O-N 3.14Å; I122-V126 WeakPolarHBondContact O-CG2 3.13Å; I122-V126 PolarHBondContact O-N 3.01Å; I122-F139 HydrophobicContact CB-CD1 4.21Å; I122-F139 HydrophobicContact CB-CE1 3.75Å; I122-F139 HydrophobicContact CB-CZ 4.05Å; I122-F139 HydrophobicContact CD1-CD2 4.46Å; I122-F139 HydrophobicContact CD1-CE1 4.4Å; I122-F139 HydrophobicContact CD1-CE2 3.96Å; I122-F139 HydrophobicContact CD1-CZ 3.92Å; I122-F139 HydrophobicContact CG1-CZ 4.36Å; I122-F139 HydrophobicContact CG2-CD1 4.08Å; I122-F139 HydrophobicContact CG2-CE1 4.14Å; I122-M142 HydrophobicContact CG2-CE 3.91Å; I122-M142 HydrophobicContact CG2-SD 3.97Å; I122-L144 HydrophobicContact CG2-CD1 4.07Å; I122-L144 HydrophobicContact CG2-CD2 3.58Å; I122-L144 HydrophobicContact CG2-CG 4.42Å; I122-I147 HydrophobicContact CD1-CG2 4.37Å; I122-I151 HydrophobicContact CD1-CD1 4.36Å; I122-I151 HydrophobicContact CD1-CG1 3.92Å; I122-I151 HydrophobicContact CG1-CD1 4.07Å; I122-I151 HydrophobicContact CG1-CG1 4.15Å
123	S	87.4	Confident	75.9	Confident	61 Å²	61	99.8 Å²	99.8	43%	0.427	53%	0.528	S	S	.	.	H	α-helix	trans	-65.8	-29.8	-174.3	-51.7	0	0	0	0	112.2	D121 A127	D121-S123 VanDerWaalsContact C-N 3.35Å; D121-S123 WeakPolarHBondContact OD1-CB 3.27Å; D121-S123 PolarHBondContact OD1-N 3.04Å; D121-S123 PolarHBondContact OD1-OG 3.07Å; S123-A127 WeakPolarHBondContact O-CB 3.17Å; S123-A127 PolarHBondContact O-N 2.97Å
124	K	89.4	Confident	78.7	Confident	154 Å²	154	97 Å²	97	67%	0.67	51%	0.505	S	S	*	.	H	α-helix	trans	-71.5	-45.7	-179.1	-174.7	-176.2	175.5	-171.4	0	111.2	I122 V126 A127 Q128	I122-K124 PolarHBondContact O-N 3.1Å; K124-V126 VanDerWaalsContact C-N 3.28Å; K124-V126 PolarHBondContact O-N 2.99Å; K124-A127 PolarHBondContact O-N 2.92Å; K124-Q128 WeakPolarHBondContact O-CB 3.33Å; K124-Q128 PolarHBondContact O-N 2.87Å
125	E	90.9	Very high	81.6	Confident	61 Å²	61	93.8 Å²	93.8	29%	0.285	49%	0.487	S	S	.	.	H	α-helix	trans	-61.9	-39.9	177.8	-67.8	71.3	-159.1	0	0	110.3	I122 Q128 C129 F139	I122-E125 VanDerWaalsContact C-OE2 3.31Å; I122-E125 VanDerWaalsContact CA-OE2 3.3Å; I122-E125 WeakPolarHBondContact CA-OE2 3.48Å; I122-E125 PolarHBondContact O-N 3.14Å; E125-Q128 PolarHBondContact O-N 2.96Å; E125-C129 VanDerWaalsContact O-CB 3.28Å; E125-C129 WeakPolarHBondContact O-CB 3.14Å; E125-C129 PolarHBondContact O-N 3.2Å; E125-F139 HydrophobicContact CB-CE1 3.87Å
126	V	91.4	Very high	84.2	Confident	9 Å²	9	90.7 Å²	90.7	6%	0.055	47%	0.471	C	S	.	.	H	α-helix	trans	-67.5	-45.9	175.6	173	0	0	0	0	111.9	I122 K124 Q128 C129 R130 F139 I151 L155	I122-V126 WeakPolarHBondContact O-CG2 3.13Å; I122-V126 PolarHBondContact O-N 3.01Å; K124-V126 VanDerWaalsContact C-N 3.28Å; K124-V126 PolarHBondContact O-N 2.99Å; V126-Q128 VanDerWaalsContact C-N 3.28Å; V126-Q128 PolarHBondContact O-N 3.02Å; V126-C129 PolarHBondContact O-N 3Å; V126-R130 WeakPolarHBondContact O-CB 3.27Å; V126-R130 PolarHBondContact O-N 2.93Å; V126-F139 HydrophobicContact CG2-CE1 4.21Å; V126-F139 HydrophobicContact CG2-CZ 3.56Å; V126-I151 HydrophobicContact CB-CD1 4.45Å; V126-I151 HydrophobicContact CB-CG1 4.5Å; V126-I151 HydrophobicContact CG1-CG1 4.5Å; V126-I151 HydrophobicContact CG2-CD1 3.9Å; V126-I151 HydrophobicContact CG2-CG1 3.58Å; V126-L155 HydrophobicContact CG1-CD1 3.86Å
127	A	89.7	Confident	86.4	Confident	52 Å²	52	81.3 Å²	81.3	43%	0.43	43%	0.431	S	S	.	.	H	α-helix	trans	-61.5	-41.1	176.5	0	0	0	0	0	110.9	S123 K124 R130 V131	S123-A127 WeakPolarHBondContact O-CB 3.17Å; S123-A127 PolarHBondContact O-N 2.97Å; K124-A127 PolarHBondContact O-N 2.92Å; A127-R130 PolarHBondContact O-N 3Å; A127-V131 WeakPolarHBondContact O-CG2 3.45Å; A127-V131 PolarHBondContact O-N 2.98Å
128	Q	90.5	Very high	88.2	Confident	123 Å²	123	80.4 Å²	80.4	58%	0.575	41%	0.413	S	S	*	.	H	α-helix	trans	-63.4	-48.5	175.8	-175.3	173	-0.6	0	0	111.5	K124 E125 V126 R130 V131 S132	K124-Q128 WeakPolarHBondContact O-CB 3.33Å; K124-Q128 PolarHBondContact O-N 2.87Å; E125-Q128 PolarHBondContact O-N 2.96Å; V126-Q128 VanDerWaalsContact C-N 3.28Å; V126-Q128 PolarHBondContact O-N 3.02Å; Q128-R130 VanDerWaalsContact C-N 3.27Å; Q128-R130 PolarHBondContact O-N 2.95Å; Q128-V131 PolarHBondContact O-N 3.28Å; Q128-V131 VanDerWaalsContact O-N 3.16Å; Q128-S132 WeakPolarHBondContact O-CB 3.15Å; Q128-S132 PolarHBondContact O-N 2.97Å; Q128-S132 PolarHBondContact O-OG 2.99Å
129	C	91.9	Very high	89.6	Confident	5 Å²	5	71.6 Å²	71.6	3%	0.034	38%	0.375	C	S	.	.	H	α-helix	trans	-58.4	-38.8	176	179.1	0	0	0	0	112.1	E125 V126 S132 H133 N134 L137	E125-C129 VanDerWaalsContact O-CB 3.28Å; E125-C129 WeakPolarHBondContact O-CB 3.14Å; E125-C129 PolarHBondContact O-N 3.2Å; V126-C129 PolarHBondContact O-N 3Å; C129-S132 PolarHBondContact O-OG 2.86Å; C129-H133 WeakPolarHBondContact O-CA 3.27Å; C129-H133 PolarHBondContact O-N 3.17Å; C129-N134 PolarHBondContact O-N 3.13Å; C129-L137 HydrophobicContact CB-CD1 3.95Å
130	R	90.9	Very high	91	Very high	108 Å²	108	67.6 Å²	67.6	41%	0.408	35%	0.35	S	S	.	.	H	α-helix	trans	-64.6	-40.8	175.8	-170.3	-176.7	-62	-127	-7	112.5	V126 A127 Q128 K153 D154 L155	V126-R130 WeakPolarHBondContact O-CB 3.27Å; V126-R130 PolarHBondContact O-N 2.93Å; A127-R130 PolarHBondContact O-N 3Å; Q128-R130 VanDerWaalsContact C-N 3.27Å; Q128-R130 PolarHBondContact O-N 2.95Å; R130-K153 PolarHBondContact NH2-O 3.13Å; R130-D154 IonicContact CZ-OD2 3.97Å; R130-D154 IonicContact NH1-OD2 3.49Å; R130-D154 PolarHBondContact NH1-OD2 2.94Å; R130-D154 IonicContact NH2-OD2 3.4Å; R130-L155 HydrophobicContact CB-CD2 4.3Å
131	V	90.9	Very high	91.7	Very high	132 Å²	132	70 Å²	70	80%	0.8	36%	0.36	S	S	*	.	H	α-helix	trans	-74.9	-41.8	179.9	172.4	0	0	0	0	111.5	A127 Q128 H133	A127-V131 WeakPolarHBondContact O-CG2 3.45Å; A127-V131 PolarHBondContact O-N 2.98Å; Q128-V131 PolarHBondContact O-N 3.28Å; Q128-V131 VanDerWaalsContact O-N 3.16Å; V131-H133 VanDerWaalsContact C-N 3.32Å
132	S	91.2	Very high	92.2	Very high	55 Å²	55	67.2 Å²	67.2	39%	0.385	34%	0.344	S	S	.	.	H	α-helix	trans	-79.2	-16.4	-179.2	61.9	0	0	0	0	113.6	Q128 C129 N134	Q128-S132 WeakPolarHBondContact O-CB 3.15Å; Q128-S132 PolarHBondContact O-N 2.97Å; Q128-S132 PolarHBondContact O-OG 2.99Å; C129-S132 PolarHBondContact O-OG 2.86Å; S132-N134 WeakPolarHBondContact CB-OD1 3.08Å; S132-N134 PolarHBondContact O-N 3.19Å; S132-N134 PolarHBondContact OG-ND2 3.21Å; S132-N134 PolarHBondContact OG-OD1 2.77Å
133	H	90.9	Very high	92.3	Very high	120 Å²	120	71.3 Å²	71.3	56%	0.556	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	36.1	-173.1	-151.8	44.2	0	0	0	112.6	C129 V131 E135 F157	C129-H133 WeakPolarHBondContact O-CA 3.27Å; C129-H133 PolarHBondContact O-N 3.17Å; V131-H133 VanDerWaalsContact C-N 3.32Å; H133-E135 PolarHBondContact O-N 3.48Å; H133-F157 VanDerWaalsContact CE1-CB 3.41Å; H133-F157 WeakPolarHBondContact CE1-CB 3.33Å; H133-F157 AromaticContact CE1-CD1 3.37Å; H133-F157 WeakPolarHBondContact CE1-CD1 3.22Å; H133-F157 AromaticContact CE1-CD2 3.77Å; H133-F157 AromaticContact CE1-CG 3.22Å; H133-F157 WeakPolarHBondContact CE1-CG 3.27Å; H133-F157 AromaticContact ND1-CD1 3.44Å; H133-F157 WeakPolarHBondContact ND1-CD1 3.3Å; H133-F157 AromaticContact ND1-CD2 3.43Å; H133-F157 WeakPolarHBondContact ND1-CD2 3.43Å; H133-F157 AromaticContact ND1-CE1 3.65Å; H133-F157 AromaticContact ND1-CE2 3.65Å; H133-F157 AromaticContact ND1-CG 3.33Å; H133-F157 VanDerWaalsContact ND1-CG 3.33Å; H133-F157 WeakPolarHBondContact ND1-CG 3.42Å; H133-F157 AromaticContact ND1-CZ 3.76Å
134	N	91.6	Very high	92.7	Very high	56 Å²	56	68.5 Å²	68.5	30%	0.299	35%	0.346	S	S	.	.			trans	-66.1	130	177.7	-73.6	-11.5	0	0	0	110.2	C129 S132 Y136 F157	C129-N134 PolarHBondContact O-N 3.13Å; S132-N134 WeakPolarHBondContact CB-OD1 3.08Å; S132-N134 PolarHBondContact O-N 3.19Å; S132-N134 PolarHBondContact OG-ND2 3.21Å; S132-N134 PolarHBondContact OG-OD1 2.77Å; N134-Y136 HydrophobicContact CB-CD1 4.35Å; N134-Y136 HydrophobicContact CB-CE1 4.35Å; N134-Y136 PolarHBondContact O-N 3.27Å; N134-Y136 VanDerWaalsContact O-N 3.09Å; N134-F157 VanDerWaalsContact O-CE2 3.24Å; N134-F157 WeakPolarHBondContact O-CE2 3.1Å
135	E	94.8	Very high	92.9	Very high	102 Å²	102	67.5 Å²	67.5	48%	0.477	34%	0.344	S	S	.	.	S	Bend	trans	-72.8	1.4	177.5	-57.5	-171.1	150.9	0	0	113.3	H133 K159 D160	H133-E135 PolarHBondContact O-N 3.48Å; E135-K159 HydrophobicContact CB-CB 4.39Å; E135-K159 HydrophobicContact CB-CD 4.3Å; E135-K159 HydrophobicContact CB-CG 4.26Å; E135-K159 VanDerWaalsContact CD-CE 3.42Å; E135-K159 WeakPolarHBondContact O-CA 3.48Å; E135-K159 PolarHBondContact O-N 3.12Å; E135-K159 VanDerWaalsContact OE1-CE 3.29Å; E135-K159 WeakPolarHBondContact OE1-CE 3.31Å; E135-K159 IonicContact OE1-NZ 3.5Å; E135-K159 PolarHBondContact OE1-NZ 3.22Å; E135-K159 WeakPolarHBondContact OE2-CD 3.42Å; E135-K159 VanDerWaalsContact OE2-CE 3.27Å; E135-K159 WeakPolarHBondContact OE2-CE 3.11Å; E135-K159 IonicContact OE2-NZ 2.66Å; E135-K159 PolarHBondContact OE2-NZ 3.1Å; E135-D160 PolarHBondContact O-N 2.95Å
136	Y	94.6	Very high	93	Very high	128 Å²	128	71.4 Å²	71.4	50%	0.502	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	150.3	175.4	75.1	-86.6	0	0	0	111.9	N134 D160 F162	N134-Y136 HydrophobicContact CB-CD1 4.35Å; N134-Y136 HydrophobicContact CB-CE1 4.35Å; N134-Y136 PolarHBondContact O-N 3.27Å; N134-Y136 VanDerWaalsContact O-N 3.09Å; Y136-D160 CarbonylContact C-O 3.31Å; Y136-D160 VanDerWaalsContact CA-O 3.26Å; Y136-D160 WeakPolarHBondContact CA-O 3.37Å; Y136-F162 HydrophobicContact CD2-CE2 4.42Å
137	L	95.1	Very high	93	Very high	5 Å²	5	71.4 Å²	71.4	3%	0.026	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	122.3	175.4	-178	60.1	0	0	0	109.7	C129 F139 F152 L155 I158 D160 L161 F162	C129-L137 HydrophobicContact CB-CD1 3.95Å; L137-F139 HydrophobicContact CD1-CD1 4.46Å; L137-F139 HydrophobicContact CD1-CE1 3.75Å; L137-F139 HydrophobicContact CD1-CE2 4.49Å; L137-F139 HydrophobicContact CD1-CZ 3.8Å; L137-F139 HydrophobicContact CD2-CD2 4.48Å; L137-F139 HydrophobicContact CD2-CE1 4.31Å; L137-F139 HydrophobicContact CD2-CE2 3.61Å; L137-F139 HydrophobicContact CD2-CZ 3.52Å; L137-F139 HydrophobicContact CG-CD2 4.39Å; L137-F139 HydrophobicContact CG-CE1 4.01Å; L137-F139 HydrophobicContact CG-CE2 3.91Å; L137-F139 HydrophobicContact CG-CZ 3.7Å; L137-F152 HydrophobicContact CD2-CE1 4.17Å; L137-L155 HydrophobicContact CD2-CD1 4.16Å; L137-I158 HydrophobicContact CB-CD1 3.77Å; L137-I158 HydrophobicContact CB-CG2 4.48Å; L137-I158 HydrophobicContact CD2-CD1 3.63Å; L137-I158 HydrophobicContact CG-CD1 4.36Å; L137-D160 PolarHBondContact N-O 3.5Å; L137-L161 HydrophobicContact CB-CD1 4.14Å; L137-L161 HydrophobicContact CD2-CD1 4.22Å; L137-L161 HydrophobicContact CG-CD1 4.21Å; L137-F162 PolarHBondContact O-N 3.25Å
138	D	95.1	Very high	93.1	Very high	71 Å²	71	72.4 Å²	72.4	38%	0.38	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	117.5	-176.6	-170.7	-1.2	0	0	0	111.7	S140 F162	D138-S140 WeakPolarHBondContact OD1-CB 3.37Å; D138-S140 PolarHBondContact OD1-N 3.13Å; D138-S140 PolarHBondContact OD1-OG 2.8Å; D138-S140 PolarHBondContact OD2-OG 3.38Å; D138-F162 HydrophobicContact CB-CB 4.27Å; D138-F162 HydrophobicContact CB-CD2 4.1Å; D138-F162 WeakPolarHBondContact OD1-CB 3.32Å
139	F	95.3	Very high	92.8	Very high	0 Å²	0	72.2 Å²	72.2	0%	0	37%	0.367	C	S	.	.			trans	-120.5	17.6	174.8	-66.6	-33	0	0	0	112	I122 E125 V126 L137 M142 L144 F152 L161 F162 L163 N166	I122-F139 HydrophobicContact CB-CD1 4.21Å; I122-F139 HydrophobicContact CB-CE1 3.75Å; I122-F139 HydrophobicContact CB-CZ 4.05Å; I122-F139 HydrophobicContact CD1-CD2 4.46Å; I122-F139 HydrophobicContact CD1-CE1 4.4Å; I122-F139 HydrophobicContact CD1-CE2 3.96Å; I122-F139 HydrophobicContact CD1-CZ 3.92Å; I122-F139 HydrophobicContact CG1-CZ 4.36Å; I122-F139 HydrophobicContact CG2-CD1 4.08Å; I122-F139 HydrophobicContact CG2-CE1 4.14Å; E125-F139 HydrophobicContact CB-CE1 3.87Å; V126-F139 HydrophobicContact CG2-CE1 4.21Å; V126-F139 HydrophobicContact CG2-CZ 3.56Å; L137-F139 HydrophobicContact CD1-CD1 4.46Å; L137-F139 HydrophobicContact CD1-CE1 3.75Å; L137-F139 HydrophobicContact CD1-CE2 4.49Å; L137-F139 HydrophobicContact CD1-CZ 3.8Å; L137-F139 HydrophobicContact CD2-CD2 4.48Å; L137-F139 HydrophobicContact CD2-CE1 4.31Å; L137-F139 HydrophobicContact CD2-CE2 3.61Å; L137-F139 HydrophobicContact CD2-CZ 3.52Å; L137-F139 HydrophobicContact CG-CD2 4.39Å; L137-F139 HydrophobicContact CG-CE1 4.01Å; L137-F139 HydrophobicContact CG-CE2 3.91Å; L137-F139 HydrophobicContact CG-CZ 3.7Å; F139-M142 HydrophobicContact CB-SD 4.1Å; F139-M142 HydrophobicContact CD1-SD 3.9Å; F139-M142 HydrophobicContact CG-SD 4.43Å; F139-L144 HydrophobicContact CB-CD1 3.82Å; F139-L144 HydrophobicContact CG-CD1 4.34Å; F139-F152 AromaticContact CE2-CE1 3.97Å; F139-F152 HydrophobicContact CE2-CE1 3.97Å; F139-F152 HydrophobicContact CE2-CZ 4.36Å; F139-L161 HydrophobicContact CD2-CD1 4.22Å; F139-L161 HydrophobicContact CE2-CD1 4.49Å; F139-F162 WeakPolarHBondContact CA-O 3.31Å; F139-F162 WeakPolarHBondContact CB-O 3.42Å; F139-F162 PolarHBondContact N-O 3.06Å; F139-L163 HydrophobicContact CB-CD2 3.82Å; F139-L163 HydrophobicContact CD2-CD2 3.8Å; F139-L163 HydrophobicContact CG-CD2 4.34Å; F139-N166 PolarHBondContact O-ND2 3.21Å
140	S	95	Very high	92.6	Very high	20 Å²	20	75.4 Å²	75.4	14%	0.14	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	147.1	-177.1	65	0	0	0	0	112.5	D138 M142 Y164	D138-S140 WeakPolarHBondContact OD1-CB 3.37Å; D138-S140 PolarHBondContact OD1-N 3.13Å; D138-S140 PolarHBondContact OD1-OG 2.8Å; D138-S140 PolarHBondContact OD2-OG 3.38Å; S140-M142 WeakPolarHBondContact O-CG 3.36Å; S140-M142 PolarHBondContact O-N 3.27Å; S140-Y164 CarbonylContact C-O 3.47Å; S140-Y164 WeakPolarHBondContact CA-O 3.19Å; S140-Y164 VanDerWaalsContact CB-CE2 3.4Å; S140-Y164 WeakPolarHBondContact CB-O 3.43Å; S140-Y164 PolarHBondContact OG-OH 3.11Å
141	N	94.8	Very high	92.5	Very high	96 Å²	96	71.2 Å²	71.2	51%	0.513	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	20	174.6	-58.8	-59.4	0	0	0	116	N143 Y164 G165	N141-N143 VanDerWaalsContact C-N 3.27Å; N141-N143 PolarHBondContact O-N 3.15Å; N141-Y164 PolarHBondContact N-O 2.7Å; N141-G165 WeakPolarHBondContact CA-O 3.44Å
142	M	94.4	Very high	92.6	Very high	51 Å²	51	65 Å²	65	25%	0.251	34%	0.341	S	S	.	.	S	Bend	trans	-83.5	0.2	-178.7	-67.8	-173.5	86.3	0	0	113.2	P120 I122 F139 S140 L144 N166	P120-M142 WeakPolarHBondContact CG-O 3.06Å; I122-M142 HydrophobicContact CG2-CE 3.91Å; I122-M142 HydrophobicContact CG2-SD 3.97Å; F139-M142 HydrophobicContact CB-SD 4.1Å; F139-M142 HydrophobicContact CD1-SD 3.9Å; F139-M142 HydrophobicContact CG-SD 4.43Å; S140-M142 WeakPolarHBondContact O-CG 3.36Å; S140-M142 PolarHBondContact O-N 3.27Å; M142-L144 VanDerWaalsContact C-N 3.26Å; M142-L144 HydrophobicContact CB-CD1 4.23Å; M142-L144 HydrophobicContact CB-CD2 4.39Å; M142-L144 HydrophobicContact CB-CG 3.87Å; M142-L144 PolarHBondContact O-N 2.8Å; M142-N166 PolarHBondContact N-OD1 3.02Å
143	N	93.6	Very high	92.4	Very high	88 Å²	88	68 Å²	68	47%	0.471	35%	0.347	S	S	.	.			trans	60.2	30.3	-172.3	-71.8	-79.4	0	0	0	113.9	N141 Q145 N166 K167	N141-N143 VanDerWaalsContact C-N 3.27Å; N141-N143 PolarHBondContact O-N 3.15Å; N143-Q145 PolarHBondContact O-N 3.15Å; N143-N166 PolarHBondContact N-OD1 2.91Å; N143-N166 VanDerWaalsContact N-OD1 3.09Å; N143-K167 WeakPolarHBondContact OD1-CE 3.34Å; N143-K167 PolarHBondContact OD1-NZ 3.42Å; N143-K167 VanDerWaalsContact OD1-NZ 3.09Å
144	L	94.1	Very high	92.2	Very high	3 Å²	3	66.8 Å²	66.8	2%	0.016	35%	0.345	C	S	.	.			trans	-64.8	128.8	177.7	-62.1	170	0	0	0	110.7	P120 I122 F139 M142 N166 K167 L168	P120-L144 HydrophobicContact CB-CD2 3.83Å; P120-L144 HydrophobicContact CG-CD2 3.85Å; I122-L144 HydrophobicContact CG2-CD1 4.07Å; I122-L144 HydrophobicContact CG2-CD2 3.58Å; I122-L144 HydrophobicContact CG2-CG 4.42Å; F139-L144 HydrophobicContact CB-CD1 3.82Å; F139-L144 HydrophobicContact CG-CD1 4.34Å; M142-L144 VanDerWaalsContact C-N 3.26Å; M142-L144 HydrophobicContact CB-CD1 4.23Å; M142-L144 HydrophobicContact CB-CD2 4.39Å; M142-L144 HydrophobicContact CB-CG 3.87Å; M142-L144 PolarHBondContact O-N 2.8Å; L144-N166 HydrophobicContact CB-CB 4.18Å; L144-N166 WeakPolarHBondContact CB-OD1 3.26Å; L144-N166 PolarHBondContact N-OD1 3.15Å; L144-K167 CarbonylContact O-C 3.48Å; L144-K167 VanDerWaalsContact O-C 3.31Å; L144-K167 WeakPolarHBondContact O-CA 3.24Å; L144-K167 PolarHBondContact O-N 3.18Å; L144-L168 HydrophobicContact CB-CD2 4Å; L144-L168 PolarHBondContact O-N 2.98Å
145	Q	93.7	Very high	92.3	Very high	132 Å²	132	64.1 Å²	64.1	62%	0.617	33%	0.331	S	S	*	.	S	Bend	trans	-95.7	-28	174	-64.3	179.1	22.5	0	0	111.7	N143 K167	N143-Q145 PolarHBondContact O-N 3.15Å; Q145-K167 HydrophobicContact CG-CB 4.25Å
146	Q	93.1	Very high	92.2	Very high	144 Å²	144	62 Å²	62	67%	0.673	33%	0.327	S	S	*	.			trans	-150.1	156.8	179.5	-64.3	-177.3	-2.9	0	0	109
147	I	93	Very high	92.2	Very high	9 Å²	9	57.2 Å²	57.2	5%	0.046	31%	0.309	C	S	.	.			trans	-109.4	129.5	172.1	-55.5	174.7	0	0	0	108	I122 N149 I151 F152 L163 L168 L171 P172	I122-I147 HydrophobicContact CD1-CG2 4.37Å; I147-N149 PolarHBondContact O-N 2.77Å; I147-I151 HydrophobicContact CG2-CG2 3.4Å; I147-F152 HydrophobicContact CD1-CE2 4.36Å; I147-F152 HydrophobicContact CD1-CZ 4.25Å; I147-F152 HydrophobicContact CG2-CE2 3.76Å; I147-F152 HydrophobicContact CG2-CZ 3.91Å; I147-L163 HydrophobicContact CD1-CD1 3.7Å; I147-L163 HydrophobicContact CD1-CD2 3.55Å; I147-L163 HydrophobicContact CD1-CG 4.32Å; I147-L163 HydrophobicContact CG1-CD2 4.36Å; I147-L168 HydrophobicContact CD1-CD1 3.96Å; I147-L168 HydrophobicContact CD1-CD2 4.37Å; I147-L168 HydrophobicContact CG1-CD1 4.28Å; I147-L168 HydrophobicContact CG1-CD2 3.79Å; I147-L171 HydrophobicContact CD1-CD2 4.13Å; I147-P172 HydrophobicContact CB-CG 3.85Å; I147-P172 HydrophobicContact CG2-CG 3.86Å
148	P	90.8	Very high	92.3	Very high	73 Å²	73	57 Å²	57	47%	0.474	31%	0.308	S	S	.	.			trans	-60.5	133.9	178.4	-22.2	33.2	0	0	0	112.7	A150 I151	P148-A150 PolarHBondContact O-N 3.33Å; P148-I151 HydrophobicContact CB-CB 4.36Å; P148-I151 WeakPolarHBondContact O-CB 3.3Å; P148-I151 WeakPolarHBondContact O-CG2 3.22Å; P148-I151 PolarHBondContact O-N 3.17Å
149	N	85	Confident	92.4	Very high	118 Å²	118	56.6 Å²	56.6	63%	0.631	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-20.2	-173.8	-80.3	-12.4	0	0	0	115.6	I147 P172 S174	I147-N149 PolarHBondContact O-N 2.77Å; N149-P172 WeakPolarHBondContact OD1-CB 3.35Å; N149-S174 WeakPolarHBondContact O-CB 3.29Å; N149-S174 PolarHBondContact O-OG 3.14Å
150	A	86.9	Confident	92.6	Very high	73 Å²	73	57.8 Å²	57.8	60%	0.603	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	1.5	-179.8	0	0	0	0	0	113.8	P148 F152 K153	P148-A150 PolarHBondContact O-N 3.33Å; A150-F152 VanDerWaalsContact C-N 3.3Å; A150-F152 PolarHBondContact O-N 2.94Å; A150-K153 VanDerWaalsContact O-CB 3.23Å; A150-K153 WeakPolarHBondContact O-CB 3.1Å; A150-K153 PolarHBondContact O-N 2.9Å; A150-K153 VanDerWaalsContact O-N 3.14Å
151	I	89.4	Confident	92.7	Very high	20 Å²	20	56.9 Å²	56.9	10%	0.103	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-34	-166.3	-157.5	72.9	0	0	0	113.1	I122 V126 I147 P148 K153	I122-I151 HydrophobicContact CD1-CD1 4.36Å; I122-I151 HydrophobicContact CD1-CG1 3.92Å; I122-I151 HydrophobicContact CG1-CD1 4.07Å; I122-I151 HydrophobicContact CG1-CG1 4.15Å; V126-I151 HydrophobicContact CB-CD1 4.45Å; V126-I151 HydrophobicContact CB-CG1 4.5Å; V126-I151 HydrophobicContact CG1-CG1 4.5Å; V126-I151 HydrophobicContact CG2-CD1 3.9Å; V126-I151 HydrophobicContact CG2-CG1 3.58Å; I147-I151 HydrophobicContact CG2-CG2 3.4Å; P148-I151 HydrophobicContact CB-CB 4.36Å; P148-I151 WeakPolarHBondContact O-CB 3.3Å; P148-I151 WeakPolarHBondContact O-CG2 3.22Å; P148-I151 PolarHBondContact O-N 3.17Å; I151-K153 VanDerWaalsContact C-N 3.28Å; I151-K153 PolarHBondContact O-N 3.05Å
152	F	91.8	Very high	92.8	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	4.5	-178.4	-59.9	-54.3	0	0	0	113.7	L137 F139 I147 A150 D154 L155 L161 P172 I175 L178	L137-F152 HydrophobicContact CD2-CE1 4.17Å; F139-F152 AromaticContact CE2-CE1 3.97Å; F139-F152 HydrophobicContact CE2-CE1 3.97Å; F139-F152 HydrophobicContact CE2-CZ 4.36Å; I147-F152 HydrophobicContact CD1-CE2 4.36Å; I147-F152 HydrophobicContact CD1-CZ 4.25Å; I147-F152 HydrophobicContact CG2-CE2 3.76Å; I147-F152 HydrophobicContact CG2-CZ 3.91Å; A150-F152 VanDerWaalsContact C-N 3.3Å; A150-F152 PolarHBondContact O-N 2.94Å; F152-D154 PolarHBondContact O-N 2.84Å; F152-L155 HydrophobicContact CD1-CD1 4.3Å; F152-L155 PolarHBondContact O-N 3.03Å; F152-L161 HydrophobicContact CE1-CD1 4.14Å; F152-L161 HydrophobicContact CE1-CD2 3.98Å; F152-L161 HydrophobicContact CZ-CD1 4.45Å; F152-L161 HydrophobicContact CZ-CD2 3.83Å; F152-P172 HydrophobicContact CD2-CG 4.23Å; F152-P172 HydrophobicContact CE2-CG 3.9Å; F152-I175 HydrophobicContact CD2-CB 4.46Å; F152-L178 HydrophobicContact CB-CD2 3.92Å; F152-L178 HydrophobicContact CB-CG 4.18Å; F152-L178 HydrophobicContact CD1-CD1 3.93Å; F152-L178 HydrophobicContact CD1-CD2 4.15Å; F152-L178 HydrophobicContact CD1-CG 4.41Å; F152-L178 HydrophobicContact CE1-CD1 4.26Å; F152-L178 HydrophobicContact CG-CD1 4.11Å; F152-L178 HydrophobicContact CG-CD2 4.27Å; F152-L178 HydrophobicContact CG-CG 4.3Å
153	K	87.1	Confident	93	Very high	119 Å²	119	51.4 Å²	51.4	52%	0.517	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	131.2	176.6	-170	-178.6	175.6	-176.1	0	109.7	R130 A150 I151 L155	R130-K153 PolarHBondContact NH2-O 3.13Å; A150-K153 VanDerWaalsContact O-CB 3.23Å; A150-K153 WeakPolarHBondContact O-CB 3.1Å; A150-K153 PolarHBondContact O-N 2.9Å; A150-K153 VanDerWaalsContact O-N 3.14Å; I151-K153 VanDerWaalsContact C-N 3.28Å; I151-K153 PolarHBondContact O-N 3.05Å; K153-L155 VanDerWaalsContact C-N 3.29Å; K153-L155 PolarHBondContact O-N 3.04Å
154	D	87.7	Confident	93.1	Very high	95 Å²	95	50.4 Å²	50.4	51%	0.508	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.9	17.7	-178.2	-36.6	-47.1	0	0	0	115.6	R130 F152	R130-D154 IonicContact CZ-OD2 3.97Å; R130-D154 IonicContact NH1-OD2 3.49Å; R130-D154 PolarHBondContact NH1-OD2 2.94Å; R130-D154 IonicContact NH2-OD2 3.4Å; F152-D154 PolarHBondContact O-N 2.84Å
155	L	93.6	Very high	93.2	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.27	C	S	.	.			trans	-105.7	31.7	176.8	-57.4	-178.5	0	0	0	112.6	V126 R130 L137 F152 K153 F157 I158 L178	V126-L155 HydrophobicContact CG1-CD1 3.86Å; R130-L155 HydrophobicContact CB-CD2 4.3Å; L137-L155 HydrophobicContact CD2-CD1 4.16Å; F152-L155 HydrophobicContact CD1-CD1 4.3Å; F152-L155 PolarHBondContact O-N 3.03Å; K153-L155 VanDerWaalsContact C-N 3.29Å; K153-L155 PolarHBondContact O-N 3.04Å; L155-F157 HydrophobicContact CD2-CE1 3.91Å; L155-F157 HydrophobicContact CD2-CZ 3.8Å; L155-F157 PolarHBondContact O-N 2.79Å; L155-I158 HydrophobicContact CB-CD1 3.62Å; L155-I158 HydrophobicContact CB-CG1 4.14Å; L155-I158 HydrophobicContact CD1-CD1 3.86Å; L155-I158 HydrophobicContact CG-CD1 4.26Å; L155-I158 WeakPolarHBondContact O-CG1 3.39Å; L155-I158 PolarHBondContact O-N 3.28Å; L155-I158 VanDerWaalsContact O-N 3.15Å; L155-L178 HydrophobicContact CB-CD2 3.81Å; L155-L178 WeakPolarHBondContact O-CD2 3.43Å
156	S	92.9	Very high	93.4	Very high	56 Å²	56	45 Å²	45	39%	0.392	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-17.8	-175.9	52.4	0	0	0	0	113.7	I158 N180	S156-I158 VanDerWaalsContact C-N 3.35Å; S156-N180 VanDerWaalsContact O-CB 3.29Å; S156-N180 WeakPolarHBondContact O-CB 3.21Å; S156-N180 PolarHBondContact O-ND2 3.15Å
157	F	94.5	Very high	93.5	Very high	29 Å²	29	41.7 Å²	41.7	13%	0.127	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-13.5	178.3	59.4	-91.7	0	0	0	114.7	H133 N134 L155 K159	H133-F157 VanDerWaalsContact CE1-CB 3.41Å; H133-F157 WeakPolarHBondContact CE1-CB 3.33Å; H133-F157 AromaticContact CE1-CD1 3.37Å; H133-F157 WeakPolarHBondContact CE1-CD1 3.22Å; H133-F157 AromaticContact CE1-CD2 3.77Å; H133-F157 AromaticContact CE1-CG 3.22Å; H133-F157 WeakPolarHBondContact CE1-CG 3.27Å; H133-F157 AromaticContact ND1-CD1 3.44Å; H133-F157 WeakPolarHBondContact ND1-CD1 3.3Å; H133-F157 AromaticContact ND1-CD2 3.43Å; H133-F157 WeakPolarHBondContact ND1-CD2 3.43Å; H133-F157 AromaticContact ND1-CE1 3.65Å; H133-F157 AromaticContact ND1-CE2 3.65Å; H133-F157 AromaticContact ND1-CG 3.33Å; H133-F157 VanDerWaalsContact ND1-CG 3.33Å; H133-F157 WeakPolarHBondContact ND1-CG 3.42Å; H133-F157 AromaticContact ND1-CZ 3.76Å; N134-F157 VanDerWaalsContact O-CE2 3.24Å; N134-F157 WeakPolarHBondContact O-CE2 3.1Å; L155-F157 HydrophobicContact CD2-CE1 3.91Å; L155-F157 HydrophobicContact CD2-CZ 3.8Å; L155-F157 PolarHBondContact O-N 2.79Å; F157-K159 PolarHBondContact O-N 2.94Å
158	I	96.7	Very high	93.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.223	C	C	.	.			trans	-66.1	130.1	-179.2	-64.1	176.4	0	0	0	110	L137 L155 S156 D160 L178 N180 L181	L137-I158 HydrophobicContact CB-CD1 3.77Å; L137-I158 HydrophobicContact CB-CG2 4.48Å; L137-I158 HydrophobicContact CD2-CD1 3.63Å; L137-I158 HydrophobicContact CG-CD1 4.36Å; L155-I158 HydrophobicContact CB-CD1 3.62Å; L155-I158 HydrophobicContact CB-CG1 4.14Å; L155-I158 HydrophobicContact CD1-CD1 3.86Å; L155-I158 HydrophobicContact CG-CD1 4.26Å; L155-I158 WeakPolarHBondContact O-CG1 3.39Å; L155-I158 PolarHBondContact O-N 3.28Å; L155-I158 VanDerWaalsContact O-N 3.15Å; S156-I158 VanDerWaalsContact C-N 3.35Å; I158-D160 WeakPolarHBondContact CG2-O 3.47Å; I158-L178 HydrophobicContact CB-CD2 4.34Å; I158-L178 HydrophobicContact CD1-CD2 4.13Å; I158-N180 CarbonylContact O-C 3.43Å; I158-N180 VanDerWaalsContact O-C 3.27Å; I158-L181 HydrophobicContact CG2-CD1 3.81Å; I158-L181 WeakPolarHBondContact O-CA 3.23Å; I158-L181 PolarHBondContact O-N 3.06Å
159	K	97.5	Very high	94	Very high	63 Å²	63	40.5 Å²	40.5	27%	0.274	22%	0.218	S	C	.	.			trans	-102.2	-32.2	172.5	-62.5	-177	-170.7	159.9	0	112.2	E135 F157 L181 K182 R183	E135-K159 HydrophobicContact CB-CB 4.39Å; E135-K159 HydrophobicContact CB-CD 4.3Å; E135-K159 HydrophobicContact CB-CG 4.26Å; E135-K159 VanDerWaalsContact CD-CE 3.42Å; E135-K159 WeakPolarHBondContact O-CA 3.48Å; E135-K159 PolarHBondContact O-N 3.12Å; E135-K159 VanDerWaalsContact OE1-CE 3.29Å; E135-K159 WeakPolarHBondContact OE1-CE 3.31Å; E135-K159 IonicContact OE1-NZ 3.5Å; E135-K159 PolarHBondContact OE1-NZ 3.22Å; E135-K159 WeakPolarHBondContact OE2-CD 3.42Å; E135-K159 VanDerWaalsContact OE2-CE 3.27Å; E135-K159 WeakPolarHBondContact OE2-CE 3.11Å; E135-K159 IonicContact OE2-NZ 2.66Å; E135-K159 PolarHBondContact OE2-NZ 3.1Å; F157-K159 PolarHBondContact O-N 2.94Å; K159-L181 WeakPolarHBondContact O-CD1 3.46Å; K159-K182 HydrophobicContact CB-CD 4.42Å; K159-K182 HydrophobicContact CB-CG 4.45Å; K159-K182 HydrophobicContact CD-CD 4.3Å; K159-K182 WeakPolarHBondContact O-CA 3.22Å; K159-K182 PolarHBondContact O-N 2.92Å; K159-R183 PolarHBondContact O-N 3.46Å
160	D	98	Very high	94.5	Very high	24 Å²	24	38 Å²	38	13%	0.128	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	122.9	-176.5	-56.1	-44.9	0	0	0	112	E135 Y136 L137 I158 F162 R183	E135-D160 PolarHBondContact O-N 2.95Å; Y136-D160 CarbonylContact C-O 3.31Å; Y136-D160 VanDerWaalsContact CA-O 3.26Å; Y136-D160 WeakPolarHBondContact CA-O 3.37Å; L137-D160 PolarHBondContact N-O 3.5Å; I158-D160 WeakPolarHBondContact CG2-O 3.47Å; D160-F162 HydrophobicContact CB-CE2 3.91Å; D160-F162 HydrophobicContact CB-CZ 4.14Å; D160-R183 WeakPolarHBondContact OD1-CB 3.15Å; D160-R183 WeakPolarHBondContact OD1-CG 3.29Å; D160-R183 IonicContact OD1-CZ 2.7Å; D160-R183 IonicContact OD1-NE 3.58Å; D160-R183 PolarHBondContact OD1-NE 3.24Å; D160-R183 IonicContact OD1-NH2 2.68Å; D160-R183 PolarHBondContact OD1-NH2 2.72Å; D160-R183 IonicContact OD2-CZ 2.72Å; D160-R183 IonicContact OD2-NE 2.72Å; D160-R183 IonicContact OD2-NH2 3.67Å; D160-R183 PolarHBondContact OD2-NH2 2.82Å
161	L	97.8	Very high	95	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	115.2	177.7	179	58.8	0	0	0	110.4	L137 F139 F152 L163 I175 L178 L181 R183 L184 L185	L137-L161 HydrophobicContact CB-CD1 4.14Å; L137-L161 HydrophobicContact CD2-CD1 4.22Å; L137-L161 HydrophobicContact CG-CD1 4.21Å; F139-L161 HydrophobicContact CD2-CD1 4.22Å; F139-L161 HydrophobicContact CE2-CD1 4.49Å; F152-L161 HydrophobicContact CE1-CD1 4.14Å; F152-L161 HydrophobicContact CE1-CD2 3.98Å; F152-L161 HydrophobicContact CZ-CD1 4.45Å; F152-L161 HydrophobicContact CZ-CD2 3.83Å; L161-L163 HydrophobicContact CD1-CD1 4.43Å; L161-L163 HydrophobicContact CD1-CG 4.21Å; L161-L163 HydrophobicContact CD2-CD1 3.77Å; L161-L163 HydrophobicContact CD2-CG 4.42Å; L161-L163 HydrophobicContact CG-CD1 3.92Å; L161-L163 HydrophobicContact CG-CG 4.05Å; L161-I175 HydrophobicContact CD2-CD1 4.46Å; L161-L178 HydrophobicContact CD2-CD1 3.65Å; L161-L181 HydrophobicContact CB-CD1 3.65Å; L161-L181 HydrophobicContact CB-CD2 4.32Å; L161-R183 PolarHBondContact N-O 3.41Å; L161-L184 HydrophobicContact CB-CD1 4.11Å; L161-L184 HydrophobicContact CD2-CD1 3.86Å; L161-L184 HydrophobicContact CG-CD1 4.03Å; L161-L185 PolarHBondContact O-N 2.92Å
162	F	97.5	Very high	95.3	Very high	33 Å²	33	34.3 Å²	34.3	15%	0.145	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	118.2	177.7	-52.9	-86.1	0	0	0	110.2	Y136 L137 D138 F139 D160 Y164 L185	Y136-F162 HydrophobicContact CD2-CE2 4.42Å; L137-F162 PolarHBondContact O-N 3.25Å; D138-F162 HydrophobicContact CB-CB 4.27Å; D138-F162 HydrophobicContact CB-CD2 4.1Å; D138-F162 WeakPolarHBondContact OD1-CB 3.32Å; F139-F162 WeakPolarHBondContact CA-O 3.31Å; F139-F162 WeakPolarHBondContact CB-O 3.42Å; F139-F162 PolarHBondContact N-O 3.06Å; D160-F162 HydrophobicContact CB-CE2 3.91Å; D160-F162 HydrophobicContact CB-CZ 4.14Å; F162-Y164 HydrophobicContact CB-CD1 4.1Å; F162-Y164 HydrophobicContact CB-CE1 3.86Å; F162-Y164 HydrophobicContact CD1-CD1 4.32Å; F162-Y164 AromaticContact CD1-CE1 3.81Å; F162-Y164 HydrophobicContact CD1-CE1 3.81Å; F162-Y164 HydrophobicContact CG-CE1 4.24Å; F162-L185 HydrophobicContact CD1-CB 4.21Å; F162-L185 HydrophobicContact CD1-CD1 3.6Å; F162-L185 HydrophobicContact CD1-CG 4.05Å; F162-L185 HydrophobicContact CE1-CD1 3.56Å; F162-L185 HydrophobicContact CE1-CG 4.23Å
163	L	97.4	Very high	95.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.195	C	C	.	.			trans	-129.6	10.2	-178.1	-80.3	168.8	0	0	0	112.3	F139 I147 L161 N166 L168 L171 L184 L185 L186 N189	F139-L163 HydrophobicContact CB-CD2 3.82Å; F139-L163 HydrophobicContact CD2-CD2 3.8Å; F139-L163 HydrophobicContact CG-CD2 4.34Å; I147-L163 HydrophobicContact CD1-CD1 3.7Å; I147-L163 HydrophobicContact CD1-CD2 3.55Å; I147-L163 HydrophobicContact CD1-CG 4.32Å; I147-L163 HydrophobicContact CG1-CD2 4.36Å; L161-L163 HydrophobicContact CD1-CD1 4.43Å; L161-L163 HydrophobicContact CD1-CG 4.21Å; L161-L163 HydrophobicContact CD2-CD1 3.77Å; L161-L163 HydrophobicContact CD2-CG 4.42Å; L161-L163 HydrophobicContact CG-CD1 3.92Å; L161-L163 HydrophobicContact CG-CG 4.05Å; L163-N166 PolarHBondContact O-ND2 3.19Å; L163-L168 HydrophobicContact CB-CD1 4.28Å; L163-L168 HydrophobicContact CD1-CD1 4.5Å; L163-L168 HydrophobicContact CD2-CD1 4.04Å; L163-L171 HydrophobicContact CD1-CD2 4.2Å; L163-L184 HydrophobicContact CD1-CD1 4.25Å; L163-L185 CarbonylContact C-O 3.11Å; L163-L185 WeakPolarHBondContact CA-O 3.27Å; L163-L185 PolarHBondContact N-O 2.82Å; L163-L186 HydrophobicContact CB-CD2 3.6Å; L163-L186 HydrophobicContact CD1-CD2 3.62Å; L163-L186 HydrophobicContact CG-CD2 4.27Å; L163-N189 PolarHBondContact O-ND2 3.34Å
164	Y	96.7	Very high	95.7	Very high	66 Å²	66	31.5 Å²	31.5	26%	0.259	17%	0.173	S	C	.	.			trans	-70.8	157	-174.7	63.4	-96.3	0	0	0	113.9	S140 N141 F162 N166 L185 Q187	S140-Y164 CarbonylContact C-O 3.47Å; S140-Y164 WeakPolarHBondContact CA-O 3.19Å; S140-Y164 VanDerWaalsContact CB-CE2 3.4Å; S140-Y164 WeakPolarHBondContact CB-O 3.43Å; S140-Y164 PolarHBondContact OG-OH 3.11Å; N141-Y164 PolarHBondContact N-O 2.7Å; F162-Y164 HydrophobicContact CB-CD1 4.1Å; F162-Y164 HydrophobicContact CB-CE1 3.86Å; F162-Y164 HydrophobicContact CD1-CD1 4.32Å; F162-Y164 AromaticContact CD1-CE1 3.81Å; F162-Y164 HydrophobicContact CD1-CE1 3.81Å; F162-Y164 HydrophobicContact CG-CE1 4.24Å; Y164-N166 VanDerWaalsContact C-N 3.31Å; Y164-N166 PolarHBondContact O-N 2.72Å; Y164-N166 PolarHBondContact O-ND2 3.26Å; Y164-L185 HydrophobicContact CD1-CB 4.25Å; Y164-L185 PolarHBondContact N-O 3.09Å; Y164-Q187 CarbonylContact C-O 3.53Å; Y164-Q187 WeakPolarHBondContact CA-O 3.33Å; Y164-Q187 WeakPolarHBondContact CB-O 3.37Å; Y164-Q187 HydrophobicContact CG-CG 4.48Å
165	G	96.5	Very high	96.1	Very high	17 Å²	17	27 Å²	27	18%	0.175	15%	0.148	C	C	.	.	S	Bend	trans	69.2	27.3	178.9	0	0	0	0	0	114	N141 Q187 Q188	N141-G165 WeakPolarHBondContact CA-O 3.44Å; G165-Q187 PolarHBondContact N-O 2.76Å; G165-Q188 WeakPolarHBondContact CA-O 3.44Å; G165-Q188 PolarHBondContact N-O 2.98Å
166	N	97	Very high	96.1	Very high	6 Å²	6	27.4 Å²	27.4	3%	0.032	15%	0.151	C	C	.	.	S	Bend	trans	-108.9	-171.5	177	-76.1	-64.1	0	0	0	111.1	F139 M142 N143 L144 L163 Y164 L168 Q188 N189	F139-N166 PolarHBondContact O-ND2 3.21Å; M142-N166 PolarHBondContact N-OD1 3.02Å; N143-N166 PolarHBondContact N-OD1 2.91Å; N143-N166 VanDerWaalsContact N-OD1 3.09Å; L144-N166 HydrophobicContact CB-CB 4.18Å; L144-N166 WeakPolarHBondContact CB-OD1 3.26Å; L144-N166 PolarHBondContact N-OD1 3.15Å; L163-N166 PolarHBondContact O-ND2 3.19Å; Y164-N166 VanDerWaalsContact C-N 3.31Å; Y164-N166 PolarHBondContact O-N 2.72Å; Y164-N166 PolarHBondContact O-ND2 3.26Å; N166-L168 HydrophobicContact CB-CD1 4.43Å; N166-L168 HydrophobicContact CB-CG 4.04Å; N166-Q188 PolarHBondContact N-O 3.48Å; N166-Q188 VanDerWaalsContact O-O 3.06Å; N166-N189 WeakPolarHBondContact CA-OD1 3.22Å; N166-N189 WeakPolarHBondContact CB-OD1 3.33Å; N166-N189 PolarHBondContact O-OD1 3.1Å
167	K	96.6	Very high	96.2	Very high	73 Å²	73	29 Å²	29	32%	0.317	15%	0.153	S	C	.	.			trans	-119.7	29.9	-179	-62.4	175.8	-175.1	166.5	0	110.7	N143 L144 Q145 T169 N189 W190	N143-K167 WeakPolarHBondContact OD1-CE 3.34Å; N143-K167 PolarHBondContact OD1-NZ 3.42Å; N143-K167 VanDerWaalsContact OD1-NZ 3.09Å; L144-K167 CarbonylContact O-C 3.48Å; L144-K167 VanDerWaalsContact O-C 3.31Å; L144-K167 WeakPolarHBondContact O-CA 3.24Å; L144-K167 PolarHBondContact O-N 3.18Å; Q145-K167 HydrophobicContact CG-CB 4.25Å; K167-T169 PolarHBondContact O-N 3.03Å; K167-N189 PolarHBondContact N-OD1 2.92Å; K167-W190 HydrophobicContact CB-CD2 4.32Å; K167-W190 HydrophobicContact CB-CE3 3.94Å; K167-W190 HydrophobicContact CB-CH2 4.15Å; K167-W190 HydrophobicContact CB-CZ2 4.48Å; K167-W190 HydrophobicContact CB-CZ3 3.85Å; K167-W190 HydrophobicContact CD-CH2 3.84Å; K167-W190 HydrophobicContact CD-CZ2 4.29Å; K167-W190 HydrophobicContact CD-CZ3 4.26Å; K167-W190 HydrophobicContact CG-CE3 4.5Å; K167-W190 HydrophobicContact CG-CH2 3.91Å; K167-W190 HydrophobicContact CG-CZ2 4.03Å; K167-W190 HydrophobicContact CG-CZ3 4.15Å
168	L	96.9	Very high	96.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.146	C	C	.	.			trans	-67.5	127	-176.4	-59	173.4	0	0	0	109.8	L144 I147 L163 N166 L171 N189 W190 L191	L144-L168 HydrophobicContact CB-CD2 4Å; L144-L168 PolarHBondContact O-N 2.98Å; I147-L168 HydrophobicContact CD1-CD1 3.96Å; I147-L168 HydrophobicContact CD1-CD2 4.37Å; I147-L168 HydrophobicContact CG1-CD1 4.28Å; I147-L168 HydrophobicContact CG1-CD2 3.79Å; L163-L168 HydrophobicContact CB-CD1 4.28Å; L163-L168 HydrophobicContact CD1-CD1 4.5Å; L163-L168 HydrophobicContact CD2-CD1 4.04Å; N166-L168 HydrophobicContact CB-CD1 4.43Å; N166-L168 HydrophobicContact CB-CG 4.04Å; L168-L171 HydrophobicContact CD1-CD2 4.32Å; L168-N189 HydrophobicContact CB-CB 4.37Å; L168-N189 VanDerWaalsContact CB-OD1 3.27Å; L168-N189 WeakPolarHBondContact CB-OD1 3.41Å; L168-N189 VanDerWaalsContact CG-OD1 3.29Å; L168-N189 WeakPolarHBondContact CG-OD1 3.37Å; L168-N189 PolarHBondContact N-OD1 2.93Å; L168-W190 CarbonylContact O-C 3.34Å; L168-W190 VanDerWaalsContact O-CA 3.28Å; L168-W190 WeakPolarHBondContact O-CA 3.33Å; L168-W190 PolarHBondContact O-N 2.93Å; L168-L191 HydrophobicContact CB-CD2 4.17Å; L168-L191 PolarHBondContact O-N 2.71Å; L168-L191 VanDerWaalsContact O-N 3.08Å
169	T	96.3	Very high	96.2	Very high	58 Å²	58	30.5 Å²	30.5	36%	0.356	16%	0.164	S	C	.	.	S	Bend	trans	-97.2	-22.1	171	55.9	0	0	0	0	112.4	K167 W190	K167-T169 PolarHBondContact O-N 3.03Å; T169-W190 HydrophobicContact CG2-CB 4.18Å
170	T	96.6	Very high	96.1	Very high	64 Å²	64	30.9 Å²	30.9	39%	0.393	17%	0.169	S	C	.	.			trans	-145.9	155.1	-179.5	62.8	0	0	0	0	110.5	G195	T170-G195 CarbonylContact C-O 3.54Å; T170-G195 WeakPolarHBondContact CA-O 3.35Å
171	L	96.5	Very high	96.1	Very high	9 Å²	9	29.8 Å²	29.8	5%	0.047	16%	0.163	C	C	.	.			trans	-102.7	144.3	168.4	-65	173	0	0	0	110.5	I147 L163 L168 I175 L186 L191 G195 P197	I147-L171 HydrophobicContact CD1-CD2 4.13Å; L163-L171 HydrophobicContact CD1-CD2 4.2Å; L168-L171 HydrophobicContact CD1-CD2 4.32Å; L171-I175 HydrophobicContact CD1-CD1 4.11Å; L171-L186 HydrophobicContact CD1-CD1 3.68Å; L171-L186 HydrophobicContact CD1-CD2 4.25Å; L171-L186 HydrophobicContact CD2-CD2 3.7Å; L171-L186 HydrophobicContact CG-CD2 4.48Å; L171-L191 HydrophobicContact CD2-CD2 4.48Å; L171-L191 HydrophobicContact CG-CD2 4.04Å; L171-G195 PolarHBondContact N-O 3.07Å; L171-P197 HydrophobicContact CB-CG 4.14Å
172	P	95.1	Very high	96.2	Very high	7 Å²	7	33.2 Å²	33.2	5%	0.045	18%	0.178	C	C	.	.			trans	-74.5	146.1	178.5	32.7	-35.6	0	0	0	110.5	I147 N149 F152 S174 I175	I147-P172 HydrophobicContact CB-CG 3.85Å; I147-P172 HydrophobicContact CG2-CG 3.86Å; N149-P172 WeakPolarHBondContact OD1-CB 3.35Å; F152-P172 HydrophobicContact CD2-CG 4.23Å; F152-P172 HydrophobicContact CE2-CG 3.9Å; P172-S174 PolarHBondContact O-N 3.46Å; P172-S174 VanDerWaalsContact O-N 3.12Å; P172-I175 WeakPolarHBondContact O-CB 3.46Å; P172-I175 VanDerWaalsContact O-CG2 3.27Å; P172-I175 WeakPolarHBondContact O-CG2 3.19Å; P172-I175 PolarHBondContact O-N 3.34Å
173	S	94	Very high	96.2	Very high	54 Å²	54	36.2 Å²	36.2	38%	0.378	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-61.6	-22.1	177.4	56.8	0	0	0	0	113.5	I175 S176	S173-I175 PolarHBondContact O-N 3.24Å; S173-S176 VanDerWaalsContact O-CB 3.31Å; S173-S176 WeakPolarHBondContact O-CB 3.29Å; S173-S176 PolarHBondContact O-N 3Å; S173-S176 PolarHBondContact O-OG 3.42Å
174	S	94.1	Very high	96.2	Very high	6 Å²	6	36.2 Å²	36.2	4%	0.042	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-69.3	-8.5	174.5	59.5	0	0	0	0	115	N149 P172 S176 H177	N149-S174 WeakPolarHBondContact O-CB 3.29Å; N149-S174 PolarHBondContact O-OG 3.14Å; P172-S174 PolarHBondContact O-N 3.46Å; P172-S174 VanDerWaalsContact O-N 3.12Å; S174-S176 PolarHBondContact O-N 3.1Å; S174-S176 VanDerWaalsContact O-N 3.1Å; S174-H177 WeakPolarHBondContact O-CB 3.38Å; S174-H177 PolarHBondContact O-N 3.13Å
175	I	95.6	Very high	96.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-53.3	-30.2	168	-161.1	168.7	0	0	0	110.7	F152 L161 L171 P172 S173 H177 L178 L184 P197 L203	F152-I175 HydrophobicContact CD2-CB 4.46Å; L161-I175 HydrophobicContact CD2-CD1 4.46Å; L171-I175 HydrophobicContact CD1-CD1 4.11Å; P172-I175 WeakPolarHBondContact O-CB 3.46Å; P172-I175 VanDerWaalsContact O-CG2 3.27Å; P172-I175 WeakPolarHBondContact O-CG2 3.19Å; P172-I175 PolarHBondContact O-N 3.34Å; S173-I175 PolarHBondContact O-N 3.24Å; I175-H177 PolarHBondContact O-N 3.21Å; I175-H177 VanDerWaalsContact O-N 3.08Å; I175-L178 HydrophobicContact CG1-CD1 4.29Å; I175-L178 WeakPolarHBondContact O-CB 3.29Å; I175-L178 WeakPolarHBondContact O-CG 3.31Å; I175-L178 PolarHBondContact O-N 2.92Å; I175-L184 HydrophobicContact CD1-CD1 4.17Å; I175-L184 HydrophobicContact CD1-CD2 3.73Å; I175-P197 HydrophobicContact CG2-CG 4.11Å; I175-L203 HydrophobicContact CG1-CD1 4.39Å; I175-L203 WeakPolarHBondContact O-CD2 3.49Å
176	S	94.1	Very high	96.4	Very high	9 Å²	9	32.6 Å²	32.6	6%	0.063	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-63.6	-9.7	177.1	70.1	0	0	0	0	115.9	S173 S174 L178 E199	S173-S176 VanDerWaalsContact O-CB 3.31Å; S173-S176 WeakPolarHBondContact O-CB 3.29Å; S173-S176 PolarHBondContact O-N 3Å; S173-S176 PolarHBondContact O-OG 3.42Å; S174-S176 PolarHBondContact O-N 3.1Å; S174-S176 VanDerWaalsContact O-N 3.1Å; S176-L178 VanDerWaalsContact C-N 3.32Å; S176-E199 WeakPolarHBondContact CB-O 3.36Å
177	H	94.8	Very high	96.4	Very high	90 Å²	90	33.4 Å²	33.4	42%	0.417	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-77.4	-16.8	171.9	-64.5	159.3	0	0	0	113.4	S174 I175 T179	S174-H177 WeakPolarHBondContact O-CB 3.38Å; S174-H177 PolarHBondContact O-N 3.13Å; I175-H177 PolarHBondContact O-N 3.21Å; I175-H177 VanDerWaalsContact O-N 3.08Å; H177-T179 PolarHBondContact O-N 3.24Å
178	L	96.1	Very high	96.5	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.182	C	C	.	.			trans	-81.5	58.3	-178.9	-53.4	-179.7	0	0	0	110.6	F152 L155 I158 L161 I175 S176 N180 L181 L203	F152-L178 HydrophobicContact CB-CD2 3.92Å; F152-L178 HydrophobicContact CB-CG 4.18Å; F152-L178 HydrophobicContact CD1-CD1 3.93Å; F152-L178 HydrophobicContact CD1-CD2 4.15Å; F152-L178 HydrophobicContact CD1-CG 4.41Å; F152-L178 HydrophobicContact CE1-CD1 4.26Å; F152-L178 HydrophobicContact CG-CD1 4.11Å; F152-L178 HydrophobicContact CG-CD2 4.27Å; F152-L178 HydrophobicContact CG-CG 4.3Å; L155-L178 HydrophobicContact CB-CD2 3.81Å; L155-L178 WeakPolarHBondContact O-CD2 3.43Å; I158-L178 HydrophobicContact CB-CD2 4.34Å; I158-L178 HydrophobicContact CD1-CD2 4.13Å; L161-L178 HydrophobicContact CD2-CD1 3.65Å; I175-L178 HydrophobicContact CG1-CD1 4.29Å; I175-L178 WeakPolarHBondContact O-CB 3.29Å; I175-L178 WeakPolarHBondContact O-CG 3.31Å; I175-L178 PolarHBondContact O-N 2.92Å; S176-L178 VanDerWaalsContact C-N 3.32Å; L178-N180 PolarHBondContact O-N 3.1Å; L178-N180 VanDerWaalsContact O-N 3.1Å; L178-L181 HydrophobicContact CB-CB 4.04Å; L178-L181 HydrophobicContact CB-CD2 4.5Å; L178-L181 HydrophobicContact CD1-CD1 4.39Å; L178-L181 HydrophobicContact CD1-CD2 4.37Å; L178-L181 WeakPolarHBondContact O-CB 3.29Å; L178-L181 PolarHBondContact O-N 3.16Å; L178-L203 HydrophobicContact CB-CD2 4.25Å; L178-L203 VanDerWaalsContact O-CD2 3.22Å; L178-L203 WeakPolarHBondContact O-CD2 3.29Å
179	T	94.9	Very high	96.6	Very high	60 Å²	60	35.2 Å²	35.2	37%	0.368	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-18.9	-169.3	52.8	0	0	0	0	114.5	H177 N205	H177-T179 PolarHBondContact O-N 3.24Å; T179-N205 PolarHBondContact O-ND2 3.44Å
180	N	96.4	Very high	96.6	Very high	72 Å²	72	37.6 Å²	37.6	39%	0.385	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	6.3	173.8	-64.7	-58.5	0	0	0	114	S156 I158 L178 K182	S156-N180 VanDerWaalsContact O-CB 3.29Å; S156-N180 WeakPolarHBondContact O-CB 3.21Å; S156-N180 PolarHBondContact O-ND2 3.15Å; I158-N180 CarbonylContact O-C 3.43Å; I158-N180 VanDerWaalsContact O-C 3.27Å; L178-N180 PolarHBondContact O-N 3.1Å; L178-N180 VanDerWaalsContact O-N 3.1Å; N180-K182 PolarHBondContact O-N 2.97Å
181	L	97.9	Very high	96.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.167	C	C	.	.			trans	-62.8	123.5	-178.2	-162.3	72.7	0	0	0	110.5	I158 K159 L161 L178 L184 L203 N205 L206	I158-L181 HydrophobicContact CG2-CD1 3.81Å; I158-L181 WeakPolarHBondContact O-CA 3.23Å; I158-L181 PolarHBondContact O-N 3.06Å; K159-L181 WeakPolarHBondContact O-CD1 3.46Å; L161-L181 HydrophobicContact CB-CD1 3.65Å; L161-L181 HydrophobicContact CB-CD2 4.32Å; L178-L181 HydrophobicContact CB-CB 4.04Å; L178-L181 HydrophobicContact CB-CD2 4.5Å; L178-L181 HydrophobicContact CD1-CD1 4.39Å; L178-L181 HydrophobicContact CD1-CD2 4.37Å; L178-L181 WeakPolarHBondContact O-CB 3.29Å; L178-L181 PolarHBondContact O-N 3.16Å; L181-L184 HydrophobicContact CD2-CB 3.91Å; L181-L184 HydrophobicContact CD2-CD1 4.28Å; L181-L184 HydrophobicContact CD2-CD2 4.35Å; L181-L184 HydrophobicContact CD2-CG 4.41Å; L181-L203 HydrophobicContact CB-CD2 4.47Å; L181-L203 HydrophobicContact CD2-CD1 4.02Å; L181-N205 CarbonylContact O-C 3.4Å; L181-L206 HydrophobicContact CB-CD1 4.19Å; L181-L206 HydrophobicContact CD2-CD1 3.83Å; L181-L206 HydrophobicContact CG-CD1 3.81Å; L181-L206 VanDerWaalsContact O-CA 3.23Å; L181-L206 WeakPolarHBondContact O-CA 3.43Å; L181-L206 PolarHBondContact O-N 2.86Å; L181-L206 VanDerWaalsContact O-N 3.12Å
182	K	98.3	Very high	96.7	Very high	73 Å²	73	36 Å²	36	32%	0.317	18%	0.176	S	C	.	.			trans	-100.6	-40.5	175.1	-69.6	-179.5	163.8	-107.5	0	111.9	K159 N180 E207 Q208	K159-K182 HydrophobicContact CB-CD 4.42Å; K159-K182 HydrophobicContact CB-CG 4.45Å; K159-K182 HydrophobicContact CD-CD 4.3Å; K159-K182 WeakPolarHBondContact O-CA 3.22Å; K159-K182 PolarHBondContact O-N 2.92Å; N180-K182 PolarHBondContact O-N 2.97Å; K182-E207 IonicContact NZ-OE1 3.25Å; K182-E207 PolarHBondContact NZ-OE1 3.41Å; K182-E207 IonicContact NZ-OE2 3.96Å; K182-E207 PolarHBondContact NZ-OE2 3.35Å; K182-E207 PolarHBondContact O-N 2.69Å; K182-Q208 PolarHBondContact O-N 2.9Å
183	R	98.5	Very high	96.7	Very high	96 Å²	96	36.7 Å²	36.7	36%	0.362	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	125.6	-177.1	-55.4	-174.4	-72.2	171.5	-2.2	111.3	K159 D160 L161 Q208	K159-R183 PolarHBondContact O-N 3.46Å; D160-R183 WeakPolarHBondContact OD1-CB 3.15Å; D160-R183 WeakPolarHBondContact OD1-CG 3.29Å; D160-R183 IonicContact OD1-CZ 2.7Å; D160-R183 IonicContact OD1-NE 3.58Å; D160-R183 PolarHBondContact OD1-NE 3.24Å; D160-R183 IonicContact OD1-NH2 2.68Å; D160-R183 PolarHBondContact OD1-NH2 2.72Å; D160-R183 IonicContact OD2-CZ 2.72Å; D160-R183 IonicContact OD2-NE 2.72Å; D160-R183 IonicContact OD2-NH2 3.67Å; D160-R183 PolarHBondContact OD2-NH2 2.82Å; L161-R183 PolarHBondContact N-O 3.41Å; R183-Q208 HydrophobicContact CB-CB 4.41Å; R183-Q208 HydrophobicContact CG-CB 4.08Å
184	L	98.3	Very high	96.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	106.6	175.6	178.3	54	0	0	0	109.7	L161 L163 I175 L181 L186 I200 L203 L206 Q208 L209 D210	L161-L184 HydrophobicContact CB-CD1 4.11Å; L161-L184 HydrophobicContact CD2-CD1 3.86Å; L161-L184 HydrophobicContact CG-CD1 4.03Å; L163-L184 HydrophobicContact CD1-CD1 4.25Å; I175-L184 HydrophobicContact CD1-CD1 4.17Å; I175-L184 HydrophobicContact CD1-CD2 3.73Å; L181-L184 HydrophobicContact CD2-CB 3.91Å; L181-L184 HydrophobicContact CD2-CD1 4.28Å; L181-L184 HydrophobicContact CD2-CD2 4.35Å; L181-L184 HydrophobicContact CD2-CG 4.41Å; L184-L186 HydrophobicContact CD1-CD1 4.11Å; L184-L186 HydrophobicContact CD1-CD2 4.32Å; L184-L186 HydrophobicContact CD1-CG 4Å; L184-L186 HydrophobicContact CD2-CD1 3.87Å; L184-L186 HydrophobicContact CG-CD1 3.7Å; L184-L186 HydrophobicContact CG-CG 3.99Å; L184-I200 HydrophobicContact CD2-CD1 4.25Å; L184-L203 HydrophobicContact CD2-CD1 4.48Å; L184-L206 HydrophobicContact CB-CD1 3.85Å; L184-L206 HydrophobicContact CB-CD2 4.29Å; L184-Q208 PolarHBondContact N-O 3.36Å; L184-L209 HydrophobicContact CB-CD1 4.08Å; L184-L209 HydrophobicContact CD2-CD1 3.88Å; L184-L209 HydrophobicContact CG-CD1 3.95Å; L184-D210 PolarHBondContact O-N 3.2Å
185	L	98.3	Very high	96.7	Very high	7 Å²	7	39.1 Å²	39.1	4%	0.037	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	108.7	-175.5	-55.5	-161.8	0	0	0	111	L161 F162 L163 Y164 Q208 D210	L161-L185 PolarHBondContact O-N 2.92Å; F162-L185 HydrophobicContact CD1-CB 4.21Å; F162-L185 HydrophobicContact CD1-CD1 3.6Å; F162-L185 HydrophobicContact CD1-CG 4.05Å; F162-L185 HydrophobicContact CE1-CD1 3.56Å; F162-L185 HydrophobicContact CE1-CG 4.23Å; L163-L185 CarbonylContact C-O 3.11Å; L163-L185 WeakPolarHBondContact CA-O 3.27Å; L163-L185 PolarHBondContact N-O 2.82Å; Y164-L185 HydrophobicContact CD1-CB 4.25Å; Y164-L185 PolarHBondContact N-O 3.09Å; L185-Q208 HydrophobicContact CD2-CG 4.31Å; L185-D210 HydrophobicContact CD2-CB 3.72Å
186	L	98.2	Very high	96.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.202	C	C	.	.			trans	-121.1	12.9	-172.2	-67.9	160.5	0	0	0	113.2	L163 L171 L184 N189 L191 L209 D210 L211 N214	L163-L186 HydrophobicContact CB-CD2 3.6Å; L163-L186 HydrophobicContact CD1-CD2 3.62Å; L163-L186 HydrophobicContact CG-CD2 4.27Å; L171-L186 HydrophobicContact CD1-CD1 3.68Å; L171-L186 HydrophobicContact CD1-CD2 4.25Å; L171-L186 HydrophobicContact CD2-CD2 3.7Å; L171-L186 HydrophobicContact CG-CD2 4.48Å; L184-L186 HydrophobicContact CD1-CD1 4.11Å; L184-L186 HydrophobicContact CD1-CD2 4.32Å; L184-L186 HydrophobicContact CD1-CG 4Å; L184-L186 HydrophobicContact CD2-CD1 3.87Å; L184-L186 HydrophobicContact CG-CD1 3.7Å; L184-L186 HydrophobicContact CG-CG 3.99Å; L186-N189 PolarHBondContact O-ND2 3.03Å; L186-L191 HydrophobicContact CB-CD1 4.03Å; L186-L191 HydrophobicContact CD1-CD1 4.08Å; L186-L191 HydrophobicContact CD2-CD1 4.16Å; L186-L191 HydrophobicContact CG-CD1 4.35Å; L186-L209 HydrophobicContact CD1-CD1 4.13Å; L186-D210 CarbonylContact C-O 3.17Å; L186-D210 VanDerWaalsContact CA-O 3.29Å; L186-D210 WeakPolarHBondContact CA-O 3.23Å; L186-D210 VanDerWaalsContact CB-O 3.26Å; L186-D210 WeakPolarHBondContact CB-O 3.33Å; L186-D210 PolarHBondContact N-O 3.31Å; L186-L211 HydrophobicContact CB-CD2 4Å; L186-L211 HydrophobicContact CD1-CD2 3.74Å; L186-N214 PolarHBondContact O-ND2 3.46Å
187	Q	98	Very high	96.8	Very high	23 Å²	23	39.9 Å²	39.9	11%	0.107	20%	0.204	C	C	.	.			trans	-62	151.6	-175.8	68.4	-79.2	13.7	0	0	112.8	Y164 G165 D210 R212	Y164-Q187 CarbonylContact C-O 3.53Å; Y164-Q187 WeakPolarHBondContact CA-O 3.33Å; Y164-Q187 WeakPolarHBondContact CB-O 3.37Å; Y164-Q187 HydrophobicContact CG-CG 4.48Å; G165-Q187 PolarHBondContact N-O 2.76Å; Q187-D210 PolarHBondContact N-O 3.46Å; Q187-D210 PolarHBondContact OE1-OD2 2.92Å; Q187-R212 CarbonylContact C-O 3.54Å; Q187-R212 WeakPolarHBondContact CA-O 3.29Å; Q187-R212 HydrophobicContact CB-CB 4.01Å; Q187-R212 WeakPolarHBondContact CB-O 3.49Å
188	Q	97.9	Very high	96.9	Very high	108 Å²	108	41.1 Å²	41.1	51%	0.505	21%	0.214	S	C	.	.	S	Bend	trans	58.4	55	-178.2	-54.7	177	-4.3	0	0	112.3	G165 N166 R212 Y213	G165-Q188 WeakPolarHBondContact CA-O 3.44Å; G165-Q188 PolarHBondContact N-O 2.98Å; N166-Q188 PolarHBondContact N-O 3.48Å; N166-Q188 VanDerWaalsContact O-O 3.06Å; Q188-R212 PolarHBondContact N-O 3.04Å; Q188-Y213 WeakPolarHBondContact CA-O 3.31Å; Q188-Y213 HydrophobicContact CG-CD2 4.33Å; Q188-Y213 HydrophobicContact CG-CG 4.31Å; Q188-Y213 PolarHBondContact N-O 3.15Å
189	N	98.1	Very high	96.9	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.021	23%	0.231	C	C	.	.	S	Bend	trans	-125.8	-174	170.7	-86.2	-77.6	0	0	0	109.8	L163 N166 K167 L168 L186 L191 Y213 N214	L163-N189 PolarHBondContact O-ND2 3.34Å; N166-N189 WeakPolarHBondContact CA-OD1 3.22Å; N166-N189 WeakPolarHBondContact CB-OD1 3.33Å; N166-N189 PolarHBondContact O-OD1 3.1Å; K167-N189 PolarHBondContact N-OD1 2.92Å; L168-N189 HydrophobicContact CB-CB 4.37Å; L168-N189 VanDerWaalsContact CB-OD1 3.27Å; L168-N189 WeakPolarHBondContact CB-OD1 3.41Å; L168-N189 VanDerWaalsContact CG-OD1 3.29Å; L168-N189 WeakPolarHBondContact CG-OD1 3.37Å; L168-N189 PolarHBondContact N-OD1 2.93Å; L186-N189 PolarHBondContact O-ND2 3.03Å; N189-L191 HydrophobicContact CB-CG 4.21Å; N189-Y213 PolarHBondContact N-O 3.42Å; N189-Y213 VanDerWaalsContact O-O 3.07Å; N189-N214 WeakPolarHBondContact CA-OD1 3.27Å; N189-N214 WeakPolarHBondContact CB-OD1 2.88Å; N189-N214 PolarHBondContact O-OD1 3.33Å
190	W	97.4	Very high	96.9	Very high	107 Å²	107	41.9 Å²	41.9	41%	0.405	21%	0.213	S	C	.	.			trans	-114.3	28.9	177.4	-60.6	-20	0	0	0	112.1	K167 L168 T169 T192	K167-W190 HydrophobicContact CB-CD2 4.32Å; K167-W190 HydrophobicContact CB-CE3 3.94Å; K167-W190 HydrophobicContact CB-CH2 4.15Å; K167-W190 HydrophobicContact CB-CZ2 4.48Å; K167-W190 HydrophobicContact CB-CZ3 3.85Å; K167-W190 HydrophobicContact CD-CH2 3.84Å; K167-W190 HydrophobicContact CD-CZ2 4.29Å; K167-W190 HydrophobicContact CD-CZ3 4.26Å; K167-W190 HydrophobicContact CG-CE3 4.5Å; K167-W190 HydrophobicContact CG-CH2 3.91Å; K167-W190 HydrophobicContact CG-CZ2 4.03Å; K167-W190 HydrophobicContact CG-CZ3 4.15Å; L168-W190 CarbonylContact O-C 3.34Å; L168-W190 VanDerWaalsContact O-CA 3.28Å; L168-W190 WeakPolarHBondContact O-CA 3.33Å; L168-W190 PolarHBondContact O-N 2.93Å; T169-W190 HydrophobicContact CG2-CB 4.18Å; W190-T192 PolarHBondContact O-N 3.1Å
191	L	97.8	Very high	96.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.212	C	C	.	.			trans	-62.9	131.9	-177.2	-64.6	169.7	0	0	0	110.4	L168 L171 L186 N189 L211 N214 R215 L216	L168-L191 HydrophobicContact CB-CD2 4.17Å; L168-L191 PolarHBondContact O-N 2.71Å; L168-L191 VanDerWaalsContact O-N 3.08Å; L171-L191 HydrophobicContact CD2-CD2 4.48Å; L171-L191 HydrophobicContact CG-CD2 4.04Å; L186-L191 HydrophobicContact CB-CD1 4.03Å; L186-L191 HydrophobicContact CD1-CD1 4.08Å; L186-L191 HydrophobicContact CD2-CD1 4.16Å; L186-L191 HydrophobicContact CG-CD1 4.35Å; N189-L191 HydrophobicContact CB-CG 4.21Å; L191-L211 HydrophobicContact CD1-CD2 3.77Å; L191-N214 HydrophobicContact CB-CB 4.34Å; L191-N214 VanDerWaalsContact CB-OD1 3.29Å; L191-N214 WeakPolarHBondContact CB-OD1 3.3Å; L191-N214 WeakPolarHBondContact CG-OD1 3.25Å; L191-N214 PolarHBondContact N-OD1 3.23Å; L191-R215 CarbonylContact O-C 3.25Å; L191-R215 VanDerWaalsContact O-CA 3.26Å; L191-R215 WeakPolarHBondContact O-CA 3.44Å; L191-R215 PolarHBondContact O-N 3.37Å; L191-L216 HydrophobicContact CB-CD2 4.3Å; L191-L216 PolarHBondContact O-N 2.85Å
192	T	97	Very high	96.8	Very high	39 Å²	39	47 Å²	47	24%	0.239	24%	0.237	C	C	.	.			trans	-96	167.4	167.9	57.5	0	0	0	0	109.9	W190 S194 G195 R215 L216	W190-T192 PolarHBondContact O-N 3.1Å; T192-S194 PolarHBondContact O-N 3.12Å; T192-S194 PolarHBondContact OG1-OG 2.94Å; T192-G195 WeakPolarHBondContact O-CA 3.26Å; T192-G195 PolarHBondContact O-N 2.94Å; T192-G195 PolarHBondContact OG1-N 2.98Å; T192-R215 HydrophobicContact CG2-CB 4.48Å; T192-L216 VanDerWaalsContact C-CD2 3.48Å; T192-L216 WeakPolarHBondContact O-CD2 3.19Å
193	A	94.8	Very high	96.7	Very high	23 Å²	23	43.5 Å²	43.5	19%	0.19	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-56.1	-40.7	176.1	0	0	0	0	0	112	G195 I196 D217 P221	A193-G195 PolarHBondContact O-N 3.24Å; A193-I196 PolarHBondContact O-N 3.04Å; A193-D217 WeakPolarHBondContact CB-O 3.43Å; A193-P221 HydrophobicContact CB-CG 3.92Å
194	S	94.5	Very high	96.5	Very high	108 Å²	108	42.3 Å²	42.3	76%	0.755	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-69.2	-14.8	173.7	56	0	0	0	0	114.7	T192 I196	T192-S194 PolarHBondContact O-N 3.12Å; T192-S194 PolarHBondContact OG1-OG 2.94Å; S194-I196 VanDerWaalsContact C-N 3.3Å
195	G	94.6	Very high	96.5	Very high	2 Å²	2	45.3 Å²	45.3	2%	0.021	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-80.6	-9.3	177.2	0	0	0	0	0	113.8	T170 L171 T192 A193 P197	T170-G195 CarbonylContact C-O 3.54Å; T170-G195 WeakPolarHBondContact CA-O 3.35Å; L171-G195 PolarHBondContact N-O 3.07Å; T192-G195 WeakPolarHBondContact O-CA 3.26Å; T192-G195 PolarHBondContact O-N 2.94Å; T192-G195 PolarHBondContact OG1-N 2.98Å; A193-G195 PolarHBondContact O-N 3.24Å; G195-P197 WeakPolarHBondContact O-CD 3.3Å
196	I	96.7	Very high	96.5	Very high	8 Å²	8	45 Å²	45	4%	0.041	24%	0.239	C	C	.	.	S	Bend	trans	-93.7	111.5	174.7	-57.9	-179	0	0	0	108.6	A193 S194 I200 L211 L216 P221 I224	A193-I196 PolarHBondContact O-N 3.04Å; S194-I196 VanDerWaalsContact C-N 3.3Å; I196-I200 HydrophobicContact CG2-CD1 3.98Å; I196-I200 HydrophobicContact CG2-CG2 4.07Å; I196-L211 HydrophobicContact CD1-CD1 3.92Å; I196-L211 HydrophobicContact CD1-CD2 4.2Å; I196-L216 HydrophobicContact CD1-CD1 4.38Å; I196-L216 HydrophobicContact CD1-CD2 3.79Å; I196-L216 HydrophobicContact CG1-CD2 4.33Å; I196-P221 HydrophobicContact CD1-CG 4.41Å; I196-I224 HydrophobicContact CD1-CD1 3.94Å
197	P	95.5	Very high	96.5	Very high	18 Å²	18	47.9 Å²	47.9	12%	0.117	25%	0.253	C	S	.	.			trans	-70	143.3	-177.8	28.7	-35.2	0	0	0	111.4	L171 I175 G195 E199 I200	L171-P197 HydrophobicContact CB-CG 4.14Å; I175-P197 HydrophobicContact CG2-CG 4.11Å; G195-P197 WeakPolarHBondContact O-CD 3.3Å; P197-E199 WeakPolarHBondContact CB-OE2 3.33Å; P197-E199 PolarHBondContact O-N 3.08Å; P197-E199 VanDerWaalsContact O-N 3.16Å; P197-I200 WeakPolarHBondContact O-CB 3.33Å; P197-I200 VanDerWaalsContact O-CG2 3.23Å; P197-I200 WeakPolarHBondContact O-CG2 3.41Å; P197-I200 PolarHBondContact O-N 2.99Å
198	N	95.9	Very high	96.5	Very high	115 Å²	115	48.2 Å²	48.2	62%	0.615	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-61.7	-25.2	179.1	-75	-21.3	0	0	0	112.8	I200 T201	N198-I200 PolarHBondContact O-N 2.69Å; N198-I200 VanDerWaalsContact O-N 3.15Å; N198-T201 WeakPolarHBondContact O-CG2 3.39Å; N198-T201 PolarHBondContact O-N 2.73Å; N198-T201 PolarHBondContact O-OG1 2.74Å
199	E	95.5	Very high	96.5	Very high	76 Å²	76	43.1 Å²	43.1	36%	0.355	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-64.7	-12.3	176.4	-62.8	84.1	168.9	0	0	113.4	S176 P197 T201 K202	S176-E199 WeakPolarHBondContact CB-O 3.36Å; P197-E199 WeakPolarHBondContact CB-OE2 3.33Å; P197-E199 PolarHBondContact O-N 3.08Å; P197-E199 VanDerWaalsContact O-N 3.16Å; E199-T201 PolarHBondContact O-N 3.31Å; E199-T201 VanDerWaalsContact O-N 3.13Å; E199-K202 WeakPolarHBondContact O-CB 3.33Å; E199-K202 PolarHBondContact O-N 3.4Å
200	I	96.5	Very high	96.6	Very high	1 Å²	1	43 Å²	43	1%	0.005	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-55.6	-28	172.3	-158.9	171.4	0	0	0	112	L184 I196 P197 N198 K202 L203 C223 L227	L184-I200 HydrophobicContact CD2-CD1 4.25Å; I196-I200 HydrophobicContact CG2-CD1 3.98Å; I196-I200 HydrophobicContact CG2-CG2 4.07Å; P197-I200 WeakPolarHBondContact O-CB 3.33Å; P197-I200 VanDerWaalsContact O-CG2 3.23Å; P197-I200 WeakPolarHBondContact O-CG2 3.41Å; P197-I200 PolarHBondContact O-N 2.99Å; N198-I200 PolarHBondContact O-N 2.69Å; N198-I200 VanDerWaalsContact O-N 3.15Å; I200-K202 PolarHBondContact O-N 3.15Å; I200-L203 HydrophobicContact CG1-CD1 3.74Å; I200-L203 HydrophobicContact CG1-CG 4.4Å; I200-L203 VanDerWaalsContact O-CB 3.29Å; I200-L203 WeakPolarHBondContact O-CB 3.3Å; I200-L203 VanDerWaalsContact O-CG 3.31Å; I200-L203 WeakPolarHBondContact O-CG 3.38Å; I200-L203 PolarHBondContact O-N 3.42Å; I200-C223 HydrophobicContact CG2-CB 4.06Å; I200-L227 VanDerWaalsContact O-CD2 3.29Å; I200-L227 WeakPolarHBondContact O-CD2 3.47Å
201	T	95.8	Very high	96.6	Very high	57 Å²	57	38 Å²	38	35%	0.35	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-56.8	-19	175.2	54	0	0	0	0	114.1	N198 E199 L203 C223	N198-T201 WeakPolarHBondContact O-CG2 3.39Å; N198-T201 PolarHBondContact O-N 2.73Å; N198-T201 PolarHBondContact O-OG1 2.74Å; E199-T201 PolarHBondContact O-N 3.31Å; E199-T201 VanDerWaalsContact O-N 3.13Å; T201-L203 VanDerWaalsContact C-N 3.28Å; T201-L203 PolarHBondContact O-N 3.04Å; T201-C223 HydrophobicContact CG2-CB 4.1Å; T201-C223 VanDerWaalsContact CG2-O 3.29Å; T201-C223 WeakPolarHBondContact CG2-O 3.39Å
202	K	95.7	Very high	96.6	Very high	122 Å²	122	42 Å²	42	53%	0.53	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-75.3	-14.1	174.8	-62.8	-172.7	-175.6	167.8	0	113.5	E199 I200 T204	E199-K202 WeakPolarHBondContact O-CB 3.33Å; E199-K202 PolarHBondContact O-N 3.4Å; I200-K202 PolarHBondContact O-N 3.15Å; K202-T204 PolarHBondContact O-N 2.79Å
203	L	96.8	Very high	96.7	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.235	C	C	.	.			trans	-77.2	60	177.2	-55	-177	0	0	0	110.5	I175 L178 L181 L184 I200 T201 N205 L206 L227	I175-L203 HydrophobicContact CG1-CD1 4.39Å; I175-L203 WeakPolarHBondContact O-CD2 3.49Å; L178-L203 HydrophobicContact CB-CD2 4.25Å; L178-L203 VanDerWaalsContact O-CD2 3.22Å; L178-L203 WeakPolarHBondContact O-CD2 3.29Å; L181-L203 HydrophobicContact CB-CD2 4.47Å; L181-L203 HydrophobicContact CD2-CD1 4.02Å; L184-L203 HydrophobicContact CD2-CD1 4.48Å; I200-L203 HydrophobicContact CG1-CD1 3.74Å; I200-L203 HydrophobicContact CG1-CG 4.4Å; I200-L203 VanDerWaalsContact O-CB 3.29Å; I200-L203 WeakPolarHBondContact O-CB 3.3Å; I200-L203 VanDerWaalsContact O-CG 3.31Å; I200-L203 WeakPolarHBondContact O-CG 3.38Å; I200-L203 PolarHBondContact O-N 3.42Å; T201-L203 VanDerWaalsContact C-N 3.28Å; T201-L203 PolarHBondContact O-N 3.04Å; L203-N205 PolarHBondContact O-N 3.28Å; L203-N205 VanDerWaalsContact O-N 3.13Å; L203-L206 HydrophobicContact CB-CB 4.21Å; L203-L206 VanDerWaalsContact O-CB 3.29Å; L203-L206 WeakPolarHBondContact O-CB 3.46Å; L203-L206 PolarHBondContact O-N 3.38Å; L203-L227 HydrophobicContact CB-CD2 4.06Å
204	T	93.9	Very high	96.9	Very high	70 Å²	70	44.7 Å²	44.7	43%	0.429	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-18.2	-172.2	53.9	0	0	0	0	113.1	K202 N229	K202-T204 PolarHBondContact O-N 2.79Å; T204-N229 WeakPolarHBondContact O-CB 3.19Å; T204-N229 PolarHBondContact O-ND2 3.23Å
205	N	97	Very high	97	Very high	64 Å²	64	45.1 Å²	45.1	34%	0.342	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	3.6	176.3	-67.7	-48.7	0	0	0	114	T179 L181 L203 E207	T179-N205 PolarHBondContact O-ND2 3.44Å; L181-N205 CarbonylContact O-C 3.4Å; L203-N205 PolarHBondContact O-N 3.28Å; L203-N205 VanDerWaalsContact O-N 3.13Å; N205-E207 PolarHBondContact O-N 3.09Å
206	L	98.2	Very high	97.2	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.213	C	C	.	.			trans	-70	121	-176.1	-159.3	75.6	0	0	0	110.7	L181 L184 L203 L209 L227 N229 L230	L181-L206 HydrophobicContact CB-CD1 4.19Å; L181-L206 HydrophobicContact CD2-CD1 3.83Å; L181-L206 HydrophobicContact CG-CD1 3.81Å; L181-L206 VanDerWaalsContact O-CA 3.23Å; L181-L206 WeakPolarHBondContact O-CA 3.43Å; L181-L206 PolarHBondContact O-N 2.86Å; L181-L206 VanDerWaalsContact O-N 3.12Å; L184-L206 HydrophobicContact CB-CD1 3.85Å; L184-L206 HydrophobicContact CB-CD2 4.29Å; L203-L206 HydrophobicContact CB-CB 4.21Å; L203-L206 VanDerWaalsContact O-CB 3.29Å; L203-L206 WeakPolarHBondContact O-CB 3.46Å; L203-L206 PolarHBondContact O-N 3.38Å; L206-L209 HydrophobicContact CD2-CB 4.1Å; L206-L209 HydrophobicContact CD2-CD1 4.41Å; L206-L227 HydrophobicContact CB-CD2 4.38Å; L206-L227 HydrophobicContact CD2-CD1 3.91Å; L206-L227 HydrophobicContact CD2-CD2 4.35Å; L206-N229 CarbonylContact O-C 3.54Å; L206-L230 HydrophobicContact CD2-CD1 4.15Å; L206-L230 HydrophobicContact CG-CD1 4.23Å; L206-L230 VanDerWaalsContact O-CA 3.29Å; L206-L230 WeakPolarHBondContact O-CA 3.24Å; L206-L230 PolarHBondContact O-N 3.11Å; L206-L230 VanDerWaalsContact O-N 3.17Å
207	E	98.5	Very high	97.1	Very high	61 Å²	61	48.7 Å²	48.7	29%	0.285	23%	0.232	S	C	.	.			trans	-102.3	-33.1	-179.2	-68.1	163.8	-170.2	0	0	110.6	K182 N205 E231 H232	K182-E207 IonicContact NZ-OE1 3.25Å; K182-E207 PolarHBondContact NZ-OE1 3.41Å; K182-E207 IonicContact NZ-OE2 3.96Å; K182-E207 PolarHBondContact NZ-OE2 3.35Å; K182-E207 PolarHBondContact O-N 2.69Å; N205-E207 PolarHBondContact O-N 3.09Å; E207-E231 WeakPolarHBondContact O-CA 3.4Å; E207-E231 PolarHBondContact O-N 2.8Å; E207-H232 PolarHBondContact O-N 3Å
208	Q	98.6	Very high	97.1	Very high	30 Å²	30	48.8 Å²	48.8	14%	0.14	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	129.7	-179.5	-177.6	176.7	-1	0	0	112.4	K182 R183 L184 L185 H232	K182-Q208 PolarHBondContact O-N 2.9Å; R183-Q208 HydrophobicContact CB-CB 4.41Å; R183-Q208 HydrophobicContact CG-CB 4.08Å; L184-Q208 PolarHBondContact N-O 3.36Å; L185-Q208 HydrophobicContact CD2-CG 4.31Å; Q208-H232 WeakPolarHBondContact CA-O 3.49Å; Q208-H232 HydrophobicContact CB-CB 4.13Å; Q208-H232 HydrophobicContact CG-CB 3.88Å
209	L	98.5	Very high	97	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	113.7	173.1	179.5	59.4	0	0	0	109.9	L184 L186 L206 L211 I224 L227 L230 H232 L233 L234	L184-L209 HydrophobicContact CB-CD1 4.08Å; L184-L209 HydrophobicContact CD2-CD1 3.88Å; L184-L209 HydrophobicContact CG-CD1 3.95Å; L186-L209 HydrophobicContact CD1-CD1 4.13Å; L206-L209 HydrophobicContact CD2-CB 4.1Å; L206-L209 HydrophobicContact CD2-CD1 4.41Å; L209-L211 HydrophobicContact CD1-CD1 4.21Å; L209-L211 HydrophobicContact CD1-CG 4.14Å; L209-L211 HydrophobicContact CD2-CD1 3.75Å; L209-L211 HydrophobicContact CG-CD1 3.83Å; L209-L211 HydrophobicContact CG-CG 4.08Å; L209-I224 HydrophobicContact CD2-CD1 4.35Å; L209-I224 HydrophobicContact CD2-CG1 4.22Å; L209-I224 HydrophobicContact CD2-CG2 3.98Å; L209-L227 HydrophobicContact CD2-CD1 3.98Å; L209-L230 HydrophobicContact CB-CD1 3.79Å; L209-L230 HydrophobicContact CB-CD2 4.37Å; L209-H232 PolarHBondContact N-O 3.45Å; L209-L233 HydrophobicContact CB-CD1 4.24Å; L209-L233 HydrophobicContact CD2-CD1 4.06Å; L209-L233 HydrophobicContact CG-CD1 4.24Å; L209-L234 PolarHBondContact O-N 2.97Å
210	D	98.6	Very high	97	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	112.1	177	-169.9	-11.8	0	0	0	110.9	L184 L185 L186 Q187 R212 L234	L184-D210 PolarHBondContact O-N 3.2Å; L185-D210 HydrophobicContact CD2-CB 3.72Å; L186-D210 CarbonylContact C-O 3.17Å; L186-D210 VanDerWaalsContact CA-O 3.29Å; L186-D210 WeakPolarHBondContact CA-O 3.23Å; L186-D210 VanDerWaalsContact CB-O 3.26Å; L186-D210 WeakPolarHBondContact CB-O 3.33Å; L186-D210 PolarHBondContact N-O 3.31Å; Q187-D210 PolarHBondContact N-O 3.46Å; Q187-D210 PolarHBondContact OE1-OD2 2.92Å; D210-R212 WeakPolarHBondContact OD1-CB 3.45Å; D210-R212 WeakPolarHBondContact OD1-CG 3.45Å; D210-R212 IonicContact OD1-CZ 2.76Å; D210-R212 PolarHBondContact OD1-N 3.49Å; D210-R212 IonicContact OD1-NE 2.86Å; D210-R212 PolarHBondContact OD1-NE 3.16Å; D210-R212 IonicContact OD2-CZ 3.73Å; D210-R212 VanDerWaalsContact OD2-CZ 3.25Å; D210-R212 IonicContact OD2-NE 3.74Å; D210-R212 PolarHBondContact OD2-NE 3.42Å; D210-R212 IonicContact OD2-NH2 2.69Å; D210-R212 PolarHBondContact OD2-NH2 2.71Å; D210-L234 HydrophobicContact CB-CB 4.46Å; D210-L234 HydrophobicContact CB-CD1 4.2Å
211	L	98.4	Very high	97	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	21%	0.214	C	C	.	.			trans	-119.3	18.4	-179.8	-75.8	163.5	0	0	0	111.5	L186 L191 I196 L209 N214 L216 I224 L234 L235 N238	L186-L211 HydrophobicContact CB-CD2 4Å; L186-L211 HydrophobicContact CD1-CD2 3.74Å; L191-L211 HydrophobicContact CD1-CD2 3.77Å; I196-L211 HydrophobicContact CD1-CD1 3.92Å; I196-L211 HydrophobicContact CD1-CD2 4.2Å; L209-L211 HydrophobicContact CD1-CD1 4.21Å; L209-L211 HydrophobicContact CD1-CG 4.14Å; L209-L211 HydrophobicContact CD2-CD1 3.75Å; L209-L211 HydrophobicContact CG-CD1 3.83Å; L209-L211 HydrophobicContact CG-CG 4.08Å; L211-N214 WeakPolarHBondContact O-CB 3.42Å; L211-N214 PolarHBondContact O-ND2 2.87Å; L211-L216 HydrophobicContact CB-CD1 4.05Å; L211-L216 HydrophobicContact CD1-CD1 3.99Å; L211-L216 HydrophobicContact CD2-CD1 4.45Å; L211-L216 HydrophobicContact CG-CD1 4.4Å; L211-I224 HydrophobicContact CD1-CD1 3.81Å; L211-L234 CarbonylContact C-O 3.04Å; L211-L234 WeakPolarHBondContact CA-O 3.05Å; L211-L234 PolarHBondContact N-O 2.93Å; L211-L235 HydrophobicContact CB-CD2 3.83Å; L211-L235 HydrophobicContact CD1-CD2 3.92Å; L211-N238 PolarHBondContact O-ND2 3Å
212	R	98.6	Very high	97	Very high	85 Å²	85	44.5 Å²	44.5	32%	0.321	22%	0.221	S	C	.	.			trans	-59.1	149.1	-179.3	-65.5	176.8	-67.7	169.2	1.1	112	Q187 Q188 D210 N214 L234 T236	Q187-R212 CarbonylContact C-O 3.54Å; Q187-R212 WeakPolarHBondContact CA-O 3.29Å; Q187-R212 HydrophobicContact CB-CB 4.01Å; Q187-R212 WeakPolarHBondContact CB-O 3.49Å; Q188-R212 PolarHBondContact N-O 3.04Å; D210-R212 WeakPolarHBondContact OD1-CB 3.45Å; D210-R212 WeakPolarHBondContact OD1-CG 3.45Å; D210-R212 IonicContact OD1-CZ 2.76Å; D210-R212 PolarHBondContact OD1-N 3.49Å; D210-R212 IonicContact OD1-NE 2.86Å; D210-R212 PolarHBondContact OD1-NE 3.16Å; D210-R212 IonicContact OD2-CZ 3.73Å; D210-R212 VanDerWaalsContact OD2-CZ 3.25Å; D210-R212 IonicContact OD2-NE 3.74Å; D210-R212 PolarHBondContact OD2-NE 3.42Å; D210-R212 IonicContact OD2-NH2 2.69Å; D210-R212 PolarHBondContact OD2-NH2 2.71Å; R212-N214 PolarHBondContact O-N 3.16Å; R212-N214 PolarHBondContact O-ND2 3.29Å; R212-L234 HydrophobicContact CG-CB 3.78Å; R212-L234 PolarHBondContact N-O 2.63Å; R212-T236 CarbonylContact C-O 3.13Å; R212-T236 WeakPolarHBondContact CA-O 3.48Å
213	Y	98.2	Very high	97	Very high	107 Å²	107	39.1 Å²	39.1	42%	0.42	20%	0.199	S	C	.	.	S	Bend	trans	54.4	54.5	179.1	-56.9	-89.2	0	0	0	112.7	Q188 N189 T236 Y237	Q188-Y213 WeakPolarHBondContact CA-O 3.31Å; Q188-Y213 HydrophobicContact CG-CD2 4.33Å; Q188-Y213 HydrophobicContact CG-CG 4.31Å; Q188-Y213 PolarHBondContact N-O 3.15Å; N189-Y213 PolarHBondContact N-O 3.42Å; N189-Y213 VanDerWaalsContact O-O 3.07Å; Y213-T236 PolarHBondContact N-O 3.27Å; Y213-Y237 WeakPolarHBondContact CA-O 3.49Å; Y213-Y237 AromaticContact CD1-CD2 3.78Å; Y213-Y237 HydrophobicContact CD1-CD2 3.78Å; Y213-Y237 AromaticContact CD1-CG 3.81Å; Y213-Y237 HydrophobicContact CD1-CG 3.81Å; Y213-Y237 HydrophobicContact CE1-CD1 4.35Å; Y213-Y237 AromaticContact CE1-CD2 3.13Å; Y213-Y237 HydrophobicContact CE1-CD2 3.13Å; Y213-Y237 AromaticContact CE1-CE2 3.53Å; Y213-Y237 HydrophobicContact CE1-CE2 3.53Å; Y213-Y237 AromaticContact CE1-CG 3.61Å; Y213-Y237 HydrophobicContact CE1-CG 3.61Å; Y213-Y237 HydrophobicContact CE2-CD2 4.12Å; Y213-Y237 HydrophobicContact CG-CD2 4.49Å; Y213-Y237 AromaticContact CZ-CD2 3.33Å; Y213-Y237 AromaticContact CZ-CE2 3.65Å; Y213-Y237 PolarHBondContact N-O 3.06Å; Y213-Y237 WeakPolarHBondContact OH-CE2 3.5Å
214	N	98.4	Very high	97	Very high	12 Å²	12	39.1 Å²	39.1	6%	0.064	20%	0.199	C	C	.	.	S	Bend	trans	-120.9	-165.6	173.1	-85.8	-78.5	0	0	0	110.2	L186 N189 L191 L211 R212 L216 Y237 N238	L186-N214 PolarHBondContact O-ND2 3.46Å; N189-N214 WeakPolarHBondContact CA-OD1 3.27Å; N189-N214 WeakPolarHBondContact CB-OD1 2.88Å; N189-N214 PolarHBondContact O-OD1 3.33Å; L191-N214 HydrophobicContact CB-CB 4.34Å; L191-N214 VanDerWaalsContact CB-OD1 3.29Å; L191-N214 WeakPolarHBondContact CB-OD1 3.3Å; L191-N214 WeakPolarHBondContact CG-OD1 3.25Å; L191-N214 PolarHBondContact N-OD1 3.23Å; L211-N214 WeakPolarHBondContact O-CB 3.42Å; L211-N214 PolarHBondContact O-ND2 2.87Å; R212-N214 PolarHBondContact O-N 3.16Å; R212-N214 PolarHBondContact O-ND2 3.29Å; N214-L216 HydrophobicContact CB-CG 4.31Å; N214-Y237 PolarHBondContact N-O 3.14Å; N214-N238 WeakPolarHBondContact CA-OD1 3.33Å; N214-N238 WeakPolarHBondContact CB-OD1 2.9Å; N214-N238 PolarHBondContact O-OD1 2.89Å
215	R	97.6	Very high	97.1	Very high	117 Å²	117	35.9 Å²	35.9	44%	0.442	18%	0.18	S	C	.	.			trans	-121.9	30.7	-179.8	-59.5	-179.3	-178.5	-178.3	3	111.2	L191 T192 D217 N238	L191-R215 CarbonylContact O-C 3.25Å; L191-R215 VanDerWaalsContact O-CA 3.26Å; L191-R215 WeakPolarHBondContact O-CA 3.44Å; L191-R215 PolarHBondContact O-N 3.37Å; T192-R215 HydrophobicContact CG2-CB 4.48Å; R215-D217 PolarHBondContact O-N 3.11Å; R215-D217 VanDerWaalsContact O-N 3.11Å; R215-N238 PolarHBondContact N-OD1 2.94Å
216	L	97.5	Very high	97	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.168	C	C	.	.			trans	-63	114.4	178.4	-55.8	178.1	0	0	0	108.6	L191 T192 I196 L211 N214 L235 N238 K239 L240	L191-L216 HydrophobicContact CB-CD2 4.3Å; L191-L216 PolarHBondContact O-N 2.85Å; T192-L216 VanDerWaalsContact C-CD2 3.48Å; T192-L216 WeakPolarHBondContact O-CD2 3.19Å; I196-L216 HydrophobicContact CD1-CD1 4.38Å; I196-L216 HydrophobicContact CD1-CD2 3.79Å; I196-L216 HydrophobicContact CG1-CD2 4.33Å; L211-L216 HydrophobicContact CB-CD1 4.05Å; L211-L216 HydrophobicContact CD1-CD1 3.99Å; L211-L216 HydrophobicContact CD2-CD1 4.45Å; L211-L216 HydrophobicContact CG-CD1 4.4Å; N214-L216 HydrophobicContact CB-CG 4.31Å; L216-L235 HydrophobicContact CD1-CD2 3.76Å; L216-N238 HydrophobicContact CB-CB 4.15Å; L216-N238 WeakPolarHBondContact CB-OD1 3.48Å; L216-N238 VanDerWaalsContact CG-OD1 3.29Å; L216-N238 WeakPolarHBondContact CG-OD1 3.34Å; L216-N238 PolarHBondContact N-OD1 2.93Å; L216-K239 CarbonylContact O-C 3.49Å; L216-K239 WeakPolarHBondContact O-CA 3.44Å; L216-K239 WeakPolarHBondContact O-CB 3.42Å; L216-K239 PolarHBondContact O-N 2.95Å; L216-L240 HydrophobicContact CB-CD2 3.89Å; L216-L240 HydrophobicContact CB-CG 4.42Å; L216-L240 PolarHBondContact O-N 2.87Å
217	D	95.2	Very high	97	Very high	84 Å²	84	33.3 Å²	33.3	45%	0.449	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	152.1	-177.1	59.8	-22.8	0	0	0	111.6	A193 R215 K239	A193-D217 WeakPolarHBondContact CB-O 3.43Å; R215-D217 PolarHBondContact O-N 3.11Å; R215-D217 VanDerWaalsContact O-N 3.11Å; D217-K239 HydrophobicContact CB-CB 4.13Å
218	G	95.1	Very high	96.8	Very high	21 Å²	21	36.7 Å²	36.7	22%	0.216	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	78.4	-149.5	-178.7	0	0	0	0	0	113.1	L240 T241	G218-L240 CarbonylContact O-C 3.56Å; G218-L240 VanDerWaalsContact O-CA 3.28Å; G218-L240 WeakPolarHBondContact O-CA 3.45Å; G218-T241 PolarHBondContact O-N 3.45Å; G218-T241 PolarHBondContact O-OG1 2.96Å
219	P	95.3	Very high	96.8	Very high	60 Å²	60	37 Å²	37	39%	0.39	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	154.3	177.4	20.7	-28.2	0	0	0	112.4	P221 H242 V244	P219-P221 WeakPolarHBondContact O-CD 3.38Å; P219-H242 VanDerWaalsContact CB-CE1 3.5Å; P219-H242 WeakPolarHBondContact CB-CE1 3.15Å; P219-H242 WeakPolarHBondContact CB-NE2 3.32Å; P219-V244 HydrophobicContact CB-CG1 3.66Å
220	L	95.6	Very high	96.8	Very high	2 Å²	2	37 Å²	37	1%	0.01	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-53.7	122.9	160.6	-179.8	66.7	0	0	0	109.6	T222 I224 L233 L235 L240 H242 V244 I247	L220-T222 PolarHBondContact O-N 3.08Å; L220-I224 HydrophobicContact CD1-CD1 3.98Å; L220-L233 HydrophobicContact CD2-CD2 4.43Å; L220-L235 HydrophobicContact CD1-CD1 3.58Å; L220-L235 HydrophobicContact CD1-CD2 4.25Å; L220-L240 HydrophobicContact CD1-CD1 4.26Å; L220-H242 PolarHBondContact N-O 3.3Å; L220-H242 VanDerWaalsContact N-O 3.16Å; L220-V244 HydrophobicContact CB-CG2 4.43Å; L220-V244 WeakPolarHBondContact O-CG1 3.32Å; L220-I247 HydrophobicContact CD2-CD1 3.8Å
221	P	95.9	Very high	96.8	Very high	15 Å²	15	40.4 Å²	40.4	10%	0.097	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-57.6	124.8	-178.3	-28.7	36.6	0	0	0	112.5	A193 I196 P219 C223 I224	A193-P221 HydrophobicContact CB-CG 3.92Å; I196-P221 HydrophobicContact CD1-CG 4.41Å; P219-P221 WeakPolarHBondContact O-CD 3.38Å; P221-C223 PolarHBondContact O-N 3.01Å; P221-C223 VanDerWaalsContact O-N 3.14Å; P221-I224 HydrophobicContact CB-CD1 4.3Å; P221-I224 HydrophobicContact CB-CG1 4.39Å; P221-I224 HydrophobicContact CG-CD1 4.33Å; P221-I224 WeakPolarHBondContact O-CB 3.23Å; P221-I224 PolarHBondContact O-N 3.07Å
222	T	95.6	Very high	96.8	Very high	81 Å²	81	42.3 Å²	42.3	50%	0.497	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-23.9	-176.3	52.7	0	0	0	0	113.1	L220 I224 C225 V244	L220-T222 PolarHBondContact O-N 3.08Å; T222-I224 VanDerWaalsContact C-N 3.26Å; T222-I224 PolarHBondContact O-N 3.01Å; T222-C225 VanDerWaalsContact O-CB 3.31Å; T222-C225 WeakPolarHBondContact O-CB 3.47Å; T222-C225 PolarHBondContact O-N 2.93Å; T222-V244 HydrophobicContact CG2-CB 4.49Å; T222-V244 HydrophobicContact CG2-CG1 4.45Å; T222-V244 HydrophobicContact CG2-CG2 4.18Å
223	C	95.9	Very high	96.8	Very high	10 Å²	10	38.3 Å²	38.3	7%	0.068	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-29.8	173.6	61	0	0	0	0	113.1	I200 T201 P221 C225 G226	I200-C223 HydrophobicContact CG2-CB 4.06Å; T201-C223 HydrophobicContact CG2-CB 4.1Å; T201-C223 VanDerWaalsContact CG2-O 3.29Å; T201-C223 WeakPolarHBondContact CG2-O 3.39Å; P221-C223 PolarHBondContact O-N 3.01Å; P221-C223 VanDerWaalsContact O-N 3.14Å; C223-C225 VanDerWaalsContact C-N 3.27Å; C223-C225 PolarHBondContact O-N 2.91Å; C223-G226 PolarHBondContact O-N 3.42Å
224	I	97.1	Very high	96.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-65.9	-34.8	173.3	-63	174.6	0	0	0	110.2	I196 L209 L211 L220 P221 T222 G226 L227 L230 L233	I196-I224 HydrophobicContact CD1-CD1 3.94Å; L209-I224 HydrophobicContact CD2-CD1 4.35Å; L209-I224 HydrophobicContact CD2-CG1 4.22Å; L209-I224 HydrophobicContact CD2-CG2 3.98Å; L211-I224 HydrophobicContact CD1-CD1 3.81Å; L220-I224 HydrophobicContact CD1-CD1 3.98Å; P221-I224 HydrophobicContact CB-CD1 4.3Å; P221-I224 HydrophobicContact CB-CG1 4.39Å; P221-I224 HydrophobicContact CG-CD1 4.33Å; P221-I224 WeakPolarHBondContact O-CB 3.23Å; P221-I224 PolarHBondContact O-N 3.07Å; T222-I224 VanDerWaalsContact C-N 3.26Å; T222-I224 PolarHBondContact O-N 3.01Å; I224-G226 PolarHBondContact O-N 2.77Å; I224-L227 HydrophobicContact CG2-CD1 4.32Å; I224-L227 WeakPolarHBondContact O-CB 3.42Å; I224-L227 WeakPolarHBondContact O-CG 3.43Å; I224-L227 PolarHBondContact O-N 2.91Å; I224-L227 VanDerWaalsContact O-N 3.13Å; I224-L230 HydrophobicContact CG2-CD2 4.44Å; I224-L233 HydrophobicContact CG2-CD1 4.05Å; I224-L233 HydrophobicContact CG2-CD2 3.99Å
225	C	95.7	Very high	96.8	Very high	2 Å²	2	33 Å²	33	1%	0.014	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-69.6	-11.2	178.4	-58.2	0	0	0	0	113.2	T222 C223 L227 E246	T222-C225 VanDerWaalsContact O-CB 3.31Å; T222-C225 WeakPolarHBondContact O-CB 3.47Å; T222-C225 PolarHBondContact O-N 2.93Å; C223-C225 VanDerWaalsContact C-N 3.27Å; C223-C225 PolarHBondContact O-N 2.91Å; C225-L227 VanDerWaalsContact C-N 3.31Å; C225-E246 HydrophobicContact CB-CB 3.68Å; C225-E246 WeakPolarHBondContact CB-O 3.46Å
226	G	95.1	Very high	96.8	Very high	9 Å²	9	28.2 Å²	28.2	9%	0.093	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-82.9	-1.2	171.7	0	0	0	0	0	114.6	C223 I224 Y228	C223-G226 PolarHBondContact O-N 3.42Å; I224-G226 PolarHBondContact O-N 2.77Å; G226-Y228 VanDerWaalsContact C-N 3.34Å; G226-Y228 WeakPolarHBondContact O-CD2 3.37Å; G226-Y228 WeakPolarHBondContact O-CE2 3.48Å; G226-Y228 PolarHBondContact O-N 2.75Å
227	L	97.2	Very high	96.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.171	C	C	.	.			trans	-87.4	68	178	-60.2	168	0	0	0	110.3	I200 L203 L206 L209 I224 C225 N229 L230 L250	I200-L227 VanDerWaalsContact O-CD2 3.29Å; I200-L227 WeakPolarHBondContact O-CD2 3.47Å; L203-L227 HydrophobicContact CB-CD2 4.06Å; L206-L227 HydrophobicContact CB-CD2 4.38Å; L206-L227 HydrophobicContact CD2-CD1 3.91Å; L206-L227 HydrophobicContact CD2-CD2 4.35Å; L209-L227 HydrophobicContact CD2-CD1 3.98Å; I224-L227 HydrophobicContact CG2-CD1 4.32Å; I224-L227 WeakPolarHBondContact O-CB 3.42Å; I224-L227 WeakPolarHBondContact O-CG 3.43Å; I224-L227 PolarHBondContact O-N 2.91Å; I224-L227 VanDerWaalsContact O-N 3.13Å; C225-L227 VanDerWaalsContact C-N 3.31Å; L227-N229 PolarHBondContact O-N 2.97Å; L227-L230 HydrophobicContact CB-CB 4.17Å; L227-L230 WeakPolarHBondContact O-CB 3.43Å; L227-L230 PolarHBondContact O-N 3.5Å; L227-L250 VanDerWaalsContact O-CD2 3.24Å; L227-L250 WeakPolarHBondContact O-CD2 3.47Å
228	Y	95.3	Very high	97	Very high	133 Å²	133	29.2 Å²	29.2	52%	0.522	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-19.1	-167.5	-53.1	-79.3	0	0	0	116.2	G226 Y249	G226-Y228 VanDerWaalsContact C-N 3.34Å; G226-Y228 WeakPolarHBondContact O-CD2 3.37Å; G226-Y228 WeakPolarHBondContact O-CE2 3.48Å; G226-Y228 PolarHBondContact O-N 2.75Å; Y228-Y249 HydrophobicContact CE1-CG 4.3Å
229	N	97.5	Very high	97.1	Very high	37 Å²	37	33.7 Å²	33.7	20%	0.198	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	3.2	177.3	-72.6	-38.1	0	0	0	114.1	T204 L206 L227 E231 R252	T204-N229 WeakPolarHBondContact O-CB 3.19Å; T204-N229 PolarHBondContact O-ND2 3.23Å; L206-N229 CarbonylContact O-C 3.54Å; L227-N229 PolarHBondContact O-N 2.97Å; N229-E231 PolarHBondContact O-N 3.03Å; N229-R252 PolarHBondContact OD1-NE 2.88Å; N229-R252 VanDerWaalsContact OD1-NE 3.12Å; N229-R252 PolarHBondContact OD1-NH1 3Å; N229-R252 VanDerWaalsContact OD1-NH1 3.13Å; N229-R252 PolarHBondContact OD1-NH2 3.1Å
230	L	98.2	Very high	97.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.148	C	C	.	.			trans	-63.6	126.4	-178.8	-160.1	72.5	0	0	0	110.7	L206 L209 I224 L227 L233 L250 R252 L253	L206-L230 HydrophobicContact CD2-CD1 4.15Å; L206-L230 HydrophobicContact CG-CD1 4.23Å; L206-L230 VanDerWaalsContact O-CA 3.29Å; L206-L230 WeakPolarHBondContact O-CA 3.24Å; L206-L230 PolarHBondContact O-N 3.11Å; L206-L230 VanDerWaalsContact O-N 3.17Å; L209-L230 HydrophobicContact CB-CD1 3.79Å; L209-L230 HydrophobicContact CB-CD2 4.37Å; I224-L230 HydrophobicContact CG2-CD2 4.44Å; L227-L230 HydrophobicContact CB-CB 4.17Å; L227-L230 WeakPolarHBondContact O-CB 3.43Å; L227-L230 PolarHBondContact O-N 3.5Å; L230-L233 HydrophobicContact CD2-CB 3.84Å; L230-L233 HydrophobicContact CD2-CD1 4.13Å; L230-L233 HydrophobicContact CD2-CD2 4.3Å; L230-L233 HydrophobicContact CD2-CG 4.31Å; L230-L250 HydrophobicContact CB-CD2 4.35Å; L230-L250 HydrophobicContact CD2-CD1 4.28Å; L230-R252 CarbonylContact O-C 3.25Å; L230-R252 VanDerWaalsContact O-C 3.31Å; L230-L253 HydrophobicContact CD2-CD1 4.28Å; L230-L253 HydrophobicContact CG-CD1 4.29Å; L230-L253 WeakPolarHBondContact O-CA 3.48Å; L230-L253 PolarHBondContact O-N 3.03Å; L230-L253 VanDerWaalsContact O-N 3.15Å
231	E	98.6	Very high	97.2	Very high	72 Å²	72	33.3 Å²	33.3	34%	0.336	16%	0.163	S	C	.	.			trans	-103.2	-38.9	176.8	-55.7	-167.3	168.2	0	0	110.3	E207 N229 R252 L253 S254 V255	E207-E231 WeakPolarHBondContact O-CA 3.4Å; E207-E231 PolarHBondContact O-N 2.8Å; N229-E231 PolarHBondContact O-N 3.03Å; E231-R252 HydrophobicContact CG-CB 4.29Å; E231-L253 WeakPolarHBondContact O-CD1 3.4Å; E231-S254 PolarHBondContact O-N 3.33Å; E231-S254 PolarHBondContact O-OG 3.49Å; E231-S254 VanDerWaalsContact O-OG 3.1Å; E231-V255 PolarHBondContact O-N 2.99Å
232	H	98.7	Very high	97.1	Very high	42 Å²	42	35 Å²	35	19%	0.194	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	116.7	-174.2	-71.8	-146	0	0	0	111.1	F53 E207 Q208 L209 S254 V255	F53-H232 AromaticContact CE1-CE1 3.99Å; F53-H232 AromaticContact CE1-ND1 3.67Å; F53-H232 AromaticContact CZ-CE1 3.74Å; F53-H232 AromaticContact CZ-ND1 3.44Å; F53-H232 WeakPolarHBondContact CZ-ND1 3.38Å; E207-H232 PolarHBondContact O-N 3Å; Q208-H232 WeakPolarHBondContact CA-O 3.49Å; Q208-H232 HydrophobicContact CB-CB 4.13Å; Q208-H232 HydrophobicContact CG-CB 3.88Å; L209-H232 PolarHBondContact N-O 3.45Å; H232-S254 PolarHBondContact CD2-OG 3.02Å; H232-S254 PolarHBondContact NE2-OG 2.99Å; H232-V255 HydrophobicContact CB-CB 4.5Å
233	L	98.5	Very high	97.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	111.7	175.5	-179.9	55	0	0	0	110.5	L209 L220 I224 L230 L235 L250 L253 V255 L256 V257	L209-L233 HydrophobicContact CB-CD1 4.24Å; L209-L233 HydrophobicContact CD2-CD1 4.06Å; L209-L233 HydrophobicContact CG-CD1 4.24Å; L220-L233 HydrophobicContact CD2-CD2 4.43Å; I224-L233 HydrophobicContact CG2-CD1 4.05Å; I224-L233 HydrophobicContact CG2-CD2 3.99Å; L230-L233 HydrophobicContact CD2-CB 3.84Å; L230-L233 HydrophobicContact CD2-CD1 4.13Å; L230-L233 HydrophobicContact CD2-CD2 4.3Å; L230-L233 HydrophobicContact CD2-CG 4.31Å; L233-L235 HydrophobicContact CD1-CD1 4.06Å; L233-L235 HydrophobicContact CD1-CD2 4.28Å; L233-L235 HydrophobicContact CD1-CG 4.01Å; L233-L235 HydrophobicContact CD2-CD1 3.9Å; L233-L235 HydrophobicContact CG-CD1 3.73Å; L233-L235 HydrophobicContact CG-CG 4.07Å; L233-L250 HydrophobicContact CD2-CD1 4.39Å; L233-L253 HydrophobicContact CB-CD1 3.87Å; L233-V255 PolarHBondContact N-O 3.4Å; L233-L256 HydrophobicContact CB-CD1 4.06Å; L233-L256 HydrophobicContact CD2-CD1 3.91Å; L233-L256 HydrophobicContact CG-CD1 4.03Å; L233-V257 PolarHBondContact O-N 3.38Å
234	L	98.6	Very high	97.1	Very high	8 Å²	8	31.8 Å²	31.8	4%	0.042	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	119.3	-176.2	-48.2	176.3	0	0	0	110.6	L209 D210 L211 R212 V255 V257	L209-L234 PolarHBondContact O-N 2.97Å; D210-L234 HydrophobicContact CB-CB 4.46Å; D210-L234 HydrophobicContact CB-CD1 4.2Å; L211-L234 CarbonylContact C-O 3.04Å; L211-L234 WeakPolarHBondContact CA-O 3.05Å; L211-L234 PolarHBondContact N-O 2.93Å; R212-L234 HydrophobicContact CG-CB 3.78Å; R212-L234 PolarHBondContact N-O 2.63Å; L234-V255 HydrophobicContact CD2-CG1 4.11Å; L234-V257 HydrophobicContact CD2-CB 3.89Å; L234-V257 HydrophobicContact CD2-CG2 3.68Å
235	L	98.3	Very high	97.1	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	17%	0.165	C	C	.	.			trans	-132.8	13.1	-170.1	-67.3	161.6	0	0	0	113.1	L211 L216 L220 L233 N238 L240 V257 V258 N261	L211-L235 HydrophobicContact CB-CD2 3.83Å; L211-L235 HydrophobicContact CD1-CD2 3.92Å; L216-L235 HydrophobicContact CD1-CD2 3.76Å; L220-L235 HydrophobicContact CD1-CD1 3.58Å; L220-L235 HydrophobicContact CD1-CD2 4.25Å; L233-L235 HydrophobicContact CD1-CD1 4.06Å; L233-L235 HydrophobicContact CD1-CD2 4.28Å; L233-L235 HydrophobicContact CD1-CG 4.01Å; L233-L235 HydrophobicContact CD2-CD1 3.9Å; L233-L235 HydrophobicContact CG-CD1 3.73Å; L233-L235 HydrophobicContact CG-CG 4.07Å; L235-N238 PolarHBondContact O-ND2 3.21Å; L235-L240 HydrophobicContact CB-CD1 4.17Å; L235-L240 HydrophobicContact CD1-CD1 3.99Å; L235-L240 HydrophobicContact CD2-CD1 4.23Å; L235-L240 HydrophobicContact CG-CD1 4.37Å; L235-V257 WeakPolarHBondContact CA-O 3.35Å; L235-V257 WeakPolarHBondContact CB-O 3.39Å; L235-V257 PolarHBondContact N-O 3.21Å; L235-V258 HydrophobicContact CB-CG1 4.16Å; L235-V258 HydrophobicContact CD1-CG1 4.32Å; L235-V258 HydrophobicContact CD1-CG2 4.27Å; L235-N261 PolarHBondContact O-ND2 3.09Å
236	T	98.3	Very high	97.1	Very high	16 Å²	16	38.3 Å²	38.3	10%	0.098	18%	0.181	C	C	.	.			trans	-52.5	142.9	-179.6	-45.1	0	0	0	0	112.5	R212 Y213 V257 S259 R260	R212-T236 CarbonylContact C-O 3.13Å; R212-T236 WeakPolarHBondContact CA-O 3.48Å; Y213-T236 PolarHBondContact N-O 3.27Å; T236-V257 WeakPolarHBondContact OG1-CG1 3.41Å; T236-S259 WeakPolarHBondContact CA-O 3.23Å; T236-S259 WeakPolarHBondContact CG2-OG 3.26Å; T236-S259 PolarHBondContact OG1-OG 2.97Å; T236-R260 HydrophobicContact CG2-CB 4.38Å
237	Y	97.9	Very high	97.2	Very high	93 Å²	93	37.9 Å²	37.9	37%	0.365	18%	0.177	S	C	.	.	S	Bend	trans	57.5	59.8	179	-75.7	-77.4	0	0	0	112.5	Y213 N214 S259 R260	Y213-Y237 WeakPolarHBondContact CA-O 3.49Å; Y213-Y237 AromaticContact CD1-CD2 3.78Å; Y213-Y237 HydrophobicContact CD1-CD2 3.78Å; Y213-Y237 AromaticContact CD1-CG 3.81Å; Y213-Y237 HydrophobicContact CD1-CG 3.81Å; Y213-Y237 HydrophobicContact CE1-CD1 4.35Å; Y213-Y237 AromaticContact CE1-CD2 3.13Å; Y213-Y237 HydrophobicContact CE1-CD2 3.13Å; Y213-Y237 AromaticContact CE1-CE2 3.53Å; Y213-Y237 HydrophobicContact CE1-CE2 3.53Å; Y213-Y237 AromaticContact CE1-CG 3.61Å; Y213-Y237 HydrophobicContact CE1-CG 3.61Å; Y213-Y237 HydrophobicContact CE2-CD2 4.12Å; Y213-Y237 HydrophobicContact CG-CD2 4.49Å; Y213-Y237 AromaticContact CZ-CD2 3.33Å; Y213-Y237 AromaticContact CZ-CE2 3.65Å; Y213-Y237 PolarHBondContact N-O 3.06Å; Y213-Y237 WeakPolarHBondContact OH-CE2 3.5Å; N214-Y237 PolarHBondContact N-O 3.14Å; Y237-S259 PolarHBondContact N-O 2.95Å; Y237-R260 WeakPolarHBondContact CA-O 3.28Å; Y237-R260 HydrophobicContact CD1-CB 4.12Å; Y237-R260 HydrophobicContact CD2-CB 4.49Å; Y237-R260 HydrophobicContact CE1-CB 4.33Å; Y237-R260 VanDerWaalsContact CE1-CD 3.5Å; Y237-R260 HydrophobicContact CG-CB 4.22Å; Y237-R260 PolarHBondContact N-O 3.32Å; Y237-R260 VanDerWaalsContact OH-CD 3.32Å; Y237-R260 WeakPolarHBondContact OH-CD 3.5Å; Y237-R260 PolarHBondContact OH-NE 3.48Å; Y237-R260 PolarHBondContact OH-NH1 3.34Å
238	N	98.2	Very high	97.2	Very high	11 Å²	11	40.1 Å²	40.1	6%	0.059	19%	0.186	C	C	.	.	S	Bend	trans	-125.5	-166.7	167.6	-83	-76.2	0	0	0	109.3	L211 N214 R215 L216 L235 L240 R260 N261	L211-N238 PolarHBondContact O-ND2 3Å; N214-N238 WeakPolarHBondContact CA-OD1 3.33Å; N214-N238 WeakPolarHBondContact CB-OD1 2.9Å; N214-N238 PolarHBondContact O-OD1 2.89Å; R215-N238 PolarHBondContact N-OD1 2.94Å; L216-N238 HydrophobicContact CB-CB 4.15Å; L216-N238 WeakPolarHBondContact CB-OD1 3.48Å; L216-N238 VanDerWaalsContact CG-OD1 3.29Å; L216-N238 WeakPolarHBondContact CG-OD1 3.34Å; L216-N238 PolarHBondContact N-OD1 2.93Å; L235-N238 PolarHBondContact O-ND2 3.21Å; N238-L240 HydrophobicContact CB-CG 4.28Å; N238-R260 PolarHBondContact N-O 3.39Å; N238-N261 VanDerWaalsContact CA-OD1 3.32Å; N238-N261 WeakPolarHBondContact CA-OD1 3.35Å; N238-N261 WeakPolarHBondContact CB-OD1 3.48Å; N238-N261 PolarHBondContact O-OD1 2.85Å
239	K	97.2	Very high	97.3	Very high	115 Å²	115	38.9 Å²	38.9	50%	0.5	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	30.4	179.4	-59.1	-179.4	-179	-177.5	0	111.4	L216 D217 N261 L262	L216-K239 CarbonylContact O-C 3.49Å; L216-K239 WeakPolarHBondContact O-CA 3.44Å; L216-K239 WeakPolarHBondContact O-CB 3.42Å; L216-K239 PolarHBondContact O-N 2.95Å; D217-K239 HydrophobicContact CB-CB 4.13Å; K239-N261 PolarHBondContact N-OD1 2.87Å; K239-L262 HydrophobicContact CB-CD1 4.17Å
240	L	97.1	Very high	97.3	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	135.8	-179.2	-62.7	174.2	0	0	0	110	L216 G218 L220 L235 N238 V258 N261 L262 I263	L216-L240 HydrophobicContact CB-CD2 3.89Å; L216-L240 HydrophobicContact CB-CG 4.42Å; L216-L240 PolarHBondContact O-N 2.87Å; G218-L240 CarbonylContact O-C 3.56Å; G218-L240 VanDerWaalsContact O-CA 3.28Å; G218-L240 WeakPolarHBondContact O-CA 3.45Å; L220-L240 HydrophobicContact CD1-CD1 4.26Å; L235-L240 HydrophobicContact CB-CD1 4.17Å; L235-L240 HydrophobicContact CD1-CD1 3.99Å; L235-L240 HydrophobicContact CD2-CD1 4.23Å; L235-L240 HydrophobicContact CG-CD1 4.37Å; N238-L240 HydrophobicContact CB-CG 4.28Å; L240-V258 HydrophobicContact CD1-CG1 3.93Å; L240-N261 HydrophobicContact CB-CB 4.28Å; L240-N261 WeakPolarHBondContact CB-OD1 3.29Å; L240-N261 WeakPolarHBondContact CG-OD1 3.49Å; L240-N261 PolarHBondContact N-OD1 3.13Å; L240-L262 CarbonylContact O-C 3.36Å; L240-L262 VanDerWaalsContact O-CA 3.28Å; L240-L262 WeakPolarHBondContact O-CA 3.47Å; L240-L262 PolarHBondContact O-N 2.86Å; L240-I263 PolarHBondContact O-N 3.14Å
241	T	95.8	Very high	97.3	Very high	54 Å²	54	41.5 Å²	41.5	33%	0.331	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-20.4	-177	60.7	0	0	0	0	113.6	G218 I263 R264	G218-T241 PolarHBondContact O-N 3.45Å; G218-T241 PolarHBondContact O-OG1 2.96Å; T241-I263 WeakPolarHBondContact O-CA 3.48Å; T241-R264 PolarHBondContact O-N 2.95Å
242	H	94.5	Very high	97.2	Very high	49 Å²	49	43.4 Å²	43.4	23%	0.227	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	158	175.8	57.5	-69.2	0	0	0	111.8	P219 L220 Q265	P219-H242 VanDerWaalsContact CB-CE1 3.5Å; P219-H242 WeakPolarHBondContact CB-CE1 3.15Å; P219-H242 WeakPolarHBondContact CB-NE2 3.32Å; L220-H242 PolarHBondContact N-O 3.3Å; L220-H242 VanDerWaalsContact N-O 3.16Å; H242-Q265 HydrophobicContact CB-CB 4.17Å
243	I	96	Very high	97.2	Very high	12 Å²	12	41.4 Å²	41.4	6%	0.062	19%	0.186	C	C	.	.			trans	-92.6	132.7	170.7	-64.1	167.1	0	0	0	107.7	I247 V258 I263 L267 P268 L282	I243-I247 HydrophobicContact CG2-CB 3.96Å; I243-I247 HydrophobicContact CG2-CD1 4.39Å; I243-I247 HydrophobicContact CG2-CG1 4.13Å; I243-I247 HydrophobicContact CG2-CG2 4.02Å; I243-V258 HydrophobicContact CD1-CG2 4.26Å; I243-I263 HydrophobicContact CD1-CD1 4.12Å; I243-I263 HydrophobicContact CG1-CD1 4.1Å; I243-L267 HydrophobicContact CD1-CD2 3.71Å; I243-P268 HydrophobicContact CB-CG 4.4Å; I243-P268 HydrophobicContact CG2-CG 4.08Å; I243-L282 HydrophobicContact CD1-CD2 4.03Å
244	V	95.7	Very high	97.2	Very high	13 Å²	13	42.5 Å²	42.5	8%	0.079	19%	0.194	C	C	.	.			trans	-82.4	154.5	-177.1	-61	0	0	0	0	112	P219 L220 T222 E246 I247	P219-V244 HydrophobicContact CB-CG1 3.66Å; L220-V244 HydrophobicContact CB-CG2 4.43Å; L220-V244 WeakPolarHBondContact O-CG1 3.32Å; T222-V244 HydrophobicContact CG2-CB 4.49Å; T222-V244 HydrophobicContact CG2-CG1 4.45Å; T222-V244 HydrophobicContact CG2-CG2 4.18Å; V244-E246 WeakPolarHBondContact CB-OE2 3.39Å; V244-E246 HydrophobicContact CG2-CB 4.25Å; V244-E246 PolarHBondContact O-N 2.98Å; V244-I247 WeakPolarHBondContact O-CB 3.44Å; V244-I247 WeakPolarHBondContact O-CG2 3.32Å; V244-I247 PolarHBondContact O-N 3.45Å; V244-I247 VanDerWaalsContact O-N 3.15Å
245	D	96.4	Very high	97.2	Very high	64 Å²	64	42.9 Å²	42.9	34%	0.342	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-64.6	-25.5	-177.3	-170.1	60.8	0	0	0	113	I247 K248 S270	D245-I247 PolarHBondContact O-N 3.35Å; D245-K248 WeakPolarHBondContact O-CD 3.35Å; D245-K248 WeakPolarHBondContact O-CG 3.45Å; D245-K248 PolarHBondContact O-N 3.06Å; D245-K248 IonicContact OD2-NZ 2.74Å; D245-K248 PolarHBondContact OD2-NZ 2.87Å; D245-S270 PolarHBondContact O-OG 2.99Å; D245-S270 VanDerWaalsContact O-OG 3.13Å; D245-S270 WeakPolarHBondContact OD1-CB 3.13Å; D245-S270 PolarHBondContact OD1-OG 2.94Å
246	E	96.8	Very high	97.2	Very high	74 Å²	74	42.9 Å²	42.9	35%	0.346	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-62.7	-12.3	176.2	-66.3	82.7	175.2	0	0	113.2	C225 V244 K248 Y249	C225-E246 HydrophobicContact CB-CB 3.68Å; C225-E246 WeakPolarHBondContact CB-O 3.46Å; V244-E246 WeakPolarHBondContact CB-OE2 3.39Å; V244-E246 HydrophobicContact CG2-CB 4.25Å; V244-E246 PolarHBondContact O-N 2.98Å; E246-K248 PolarHBondContact O-N 3.39Å; E246-Y249 HydrophobicContact CB-CD2 3.9Å; E246-Y249 HydrophobicContact CB-CE2 3.93Å; E246-Y249 HydrophobicContact CG-CD2 4.33Å; E246-Y249 HydrophobicContact CG-CE2 3.86Å; E246-Y249 WeakPolarHBondContact O-CB 3.48Å; E246-Y249 WeakPolarHBondContact O-CD2 3.5Å; E246-Y249 PolarHBondContact O-N 3.36Å
247	I	97	Very high	97.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-52	-29.6	173.4	-162.6	74.2	0	0	0	111.6	L220 I243 V244 D245 Y249 L250 P268 L274	L220-I247 HydrophobicContact CD2-CD1 3.8Å; I243-I247 HydrophobicContact CG2-CB 3.96Å; I243-I247 HydrophobicContact CG2-CD1 4.39Å; I243-I247 HydrophobicContact CG2-CG1 4.13Å; I243-I247 HydrophobicContact CG2-CG2 4.02Å; V244-I247 WeakPolarHBondContact O-CB 3.44Å; V244-I247 WeakPolarHBondContact O-CG2 3.32Å; V244-I247 PolarHBondContact O-N 3.45Å; V244-I247 VanDerWaalsContact O-N 3.15Å; D245-I247 PolarHBondContact O-N 3.35Å; I247-Y249 PolarHBondContact O-N 2.85Å; I247-L250 HydrophobicContact CD1-CD1 3.71Å; I247-L250 WeakPolarHBondContact O-CB 3.42Å; I247-L250 PolarHBondContact O-N 3.33Å; I247-P268 HydrophobicContact CG2-CG 4.2Å; I247-L274 HydrophobicContact CG1-CD1 4.06Å; I247-L274 WeakPolarHBondContact O-CD2 3.41Å
248	K	96.6	Very high	97.2	Very high	47 Å²	47	38.2 Å²	38.2	20%	0.204	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-55.2	-22.2	177.1	76.8	-169.5	173	-163.2	0	114.8	D245 E246 L250 K251	D245-K248 WeakPolarHBondContact O-CD 3.35Å; D245-K248 WeakPolarHBondContact O-CG 3.45Å; D245-K248 PolarHBondContact O-N 3.06Å; D245-K248 IonicContact OD2-NZ 2.74Å; D245-K248 PolarHBondContact OD2-NZ 2.87Å; E246-K248 PolarHBondContact O-N 3.39Å; K248-L250 VanDerWaalsContact C-N 3.3Å; K248-K251 VanDerWaalsContact O-CD 3.28Å; K248-K251 WeakPolarHBondContact O-CD 3.43Å; K248-K251 WeakPolarHBondContact O-CE 3.45Å; K248-K251 PolarHBondContact O-NZ 3.35Å
249	Y	97.1	Very high	97.2	Very high	108 Å²	108	38 Å²	38	42%	0.424	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-75.3	-18.6	178.4	-61.5	-48	0	0	0	113.3	Y228 E246 I247 K251	Y228-Y249 HydrophobicContact CE1-CG 4.3Å; E246-Y249 HydrophobicContact CB-CD2 3.9Å; E246-Y249 HydrophobicContact CB-CE2 3.93Å; E246-Y249 HydrophobicContact CG-CD2 4.33Å; E246-Y249 HydrophobicContact CG-CE2 3.86Å; E246-Y249 WeakPolarHBondContact O-CB 3.48Å; E246-Y249 WeakPolarHBondContact O-CD2 3.5Å; E246-Y249 PolarHBondContact O-N 3.36Å; I247-Y249 PolarHBondContact O-N 2.85Å; Y249-K251 PolarHBondContact O-N 3.29Å
250	L	97.5	Very high	97.2	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.17	C	C	.	.			trans	-79.8	58.8	179.2	-55.8	-175.2	0	0	0	111.9	L227 L230 L233 I247 K248 R252 L253 L274	L227-L250 VanDerWaalsContact O-CD2 3.24Å; L227-L250 WeakPolarHBondContact O-CD2 3.47Å; L230-L250 HydrophobicContact CB-CD2 4.35Å; L230-L250 HydrophobicContact CD2-CD1 4.28Å; L233-L250 HydrophobicContact CD2-CD1 4.39Å; I247-L250 HydrophobicContact CD1-CD1 3.71Å; I247-L250 WeakPolarHBondContact O-CB 3.42Å; I247-L250 PolarHBondContact O-N 3.33Å; K248-L250 VanDerWaalsContact C-N 3.3Å; L250-R252 PolarHBondContact O-N 3.13Å; L250-L253 HydrophobicContact CB-CB 4.08Å; L250-L253 HydrophobicContact CD1-CD1 4.41Å; L250-L253 HydrophobicContact CD1-CD2 4.31Å; L250-L253 VanDerWaalsContact O-CB 3.26Å; L250-L253 WeakPolarHBondContact O-CB 3.28Å; L250-L253 PolarHBondContact O-N 2.99Å; L250-L274 WeakPolarHBondContact O-CD2 3.14Å
251	K	97.4	Very high	97.2	Very high	91 Å²	91	37.3 Å²	37.3	40%	0.396	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-12	-174.3	-62.2	-56.7	-171.8	-158	0	115	K248 Y249 E273 K276	K248-K251 VanDerWaalsContact O-CD 3.28Å; K248-K251 WeakPolarHBondContact O-CD 3.43Å; K248-K251 WeakPolarHBondContact O-CE 3.45Å; K248-K251 PolarHBondContact O-NZ 3.35Å; Y249-K251 PolarHBondContact O-N 3.29Å; K251-E273 IonicContact NZ-OE2 2.99Å; K251-E273 PolarHBondContact NZ-OE2 3.33Å; K251-K276 WeakPolarHBondContact O-CD 3.45Å
252	R	97.9	Very high	97.3	Very high	112 Å²	112	38.2 Å²	38.2	42%	0.423	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-7	175.9	-62.5	-159	-178.1	178.4	1.2	114.1	N229 L230 E231 L250 S254	N229-R252 PolarHBondContact OD1-NE 2.88Å; N229-R252 VanDerWaalsContact OD1-NE 3.12Å; N229-R252 PolarHBondContact OD1-NH1 3Å; N229-R252 VanDerWaalsContact OD1-NH1 3.13Å; N229-R252 PolarHBondContact OD1-NH2 3.1Å; L230-R252 CarbonylContact O-C 3.25Å; L230-R252 VanDerWaalsContact O-C 3.31Å; E231-R252 HydrophobicContact CG-CB 4.29Å; L250-R252 PolarHBondContact O-N 3.13Å; R252-S254 PolarHBondContact O-N 3.35Å; R252-S254 VanDerWaalsContact O-N 3.15Å
253	L	98.3	Very high	97.3	Very high	0 Å²	0	36 Å²	36	0%	0	16%	0.164	C	C	.	.			trans	-61	119	-174	-157.5	72.1	0	0	0	110.7	L230 E231 L233 L250 L256 L274 K276 L277	L230-L253 HydrophobicContact CD2-CD1 4.28Å; L230-L253 HydrophobicContact CG-CD1 4.29Å; L230-L253 WeakPolarHBondContact O-CA 3.48Å; L230-L253 PolarHBondContact O-N 3.03Å; L230-L253 VanDerWaalsContact O-N 3.15Å; E231-L253 WeakPolarHBondContact O-CD1 3.4Å; L233-L253 HydrophobicContact CB-CD1 3.87Å; L250-L253 HydrophobicContact CB-CB 4.08Å; L250-L253 HydrophobicContact CD1-CD1 4.41Å; L250-L253 HydrophobicContact CD1-CD2 4.31Å; L250-L253 VanDerWaalsContact O-CB 3.26Å; L250-L253 WeakPolarHBondContact O-CB 3.28Å; L250-L253 PolarHBondContact O-N 2.99Å; L253-L256 HydrophobicContact CD2-CB 3.83Å; L253-L256 HydrophobicContact CD2-CD1 4.26Å; L253-L256 HydrophobicContact CD2-CD2 4.16Å; L253-L256 HydrophobicContact CD2-CG 4.3Å; L253-L274 HydrophobicContact CD2-CD1 4.03Å; L253-K276 CarbonylContact O-C 3.22Å; L253-L277 HydrophobicContact CD2-CD1 4.32Å; L253-L277 HydrophobicContact CG-CD1 4.26Å; L253-L277 WeakPolarHBondContact O-CA 3.39Å; L253-L277 PolarHBondContact O-N 3.34Å
254	S	98.5	Very high	96.9	Very high	23 Å²	23	43.7 Å²	43.7	16%	0.161	19%	0.192	C	C	.	.			trans	-107.2	-30.3	178.2	64.2	0	0	0	0	111.3	E231 H232 R252 V278 K279	E231-S254 PolarHBondContact O-N 3.33Å; E231-S254 PolarHBondContact O-OG 3.49Å; E231-S254 VanDerWaalsContact O-OG 3.1Å; H232-S254 PolarHBondContact CD2-OG 3.02Å; H232-S254 PolarHBondContact NE2-OG 2.99Å; R252-S254 PolarHBondContact O-N 3.35Å; R252-S254 VanDerWaalsContact O-N 3.15Å; S254-V278 WeakPolarHBondContact O-CA 3.39Å; S254-V278 PolarHBondContact O-N 2.95Å; S254-K279 PolarHBondContact O-N 3.29Å
255	V	98.7	Very high	95.7	Very high	16 Å²	16	48.8 Å²	48.8	10%	0.097	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	117.9	-179.8	179.5	0	0	0	0	109.8	E231 H232 L233 L234 V257 K279	E231-V255 PolarHBondContact O-N 2.99Å; H232-V255 HydrophobicContact CB-CB 4.5Å; L233-V255 PolarHBondContact N-O 3.4Å; L234-V255 HydrophobicContact CD2-CG1 4.11Å; V255-V257 HydrophobicContact CG1-CG2 3.87Å; V255-K279 HydrophobicContact CG1-CB 4.36Å; V255-K279 HydrophobicContact CG2-CB 4.33Å
256	L	98.5	Very high	94.9	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	113	171.8	178.8	55.6	0	0	0	109.6	L233 L253 V258 I271 L277 K279 L280 D281	L233-L256 HydrophobicContact CB-CD1 4.06Å; L233-L256 HydrophobicContact CD2-CD1 3.91Å; L233-L256 HydrophobicContact CG-CD1 4.03Å; L253-L256 HydrophobicContact CD2-CB 3.83Å; L253-L256 HydrophobicContact CD2-CD1 4.26Å; L253-L256 HydrophobicContact CD2-CD2 4.16Å; L253-L256 HydrophobicContact CD2-CG 4.3Å; L256-V258 HydrophobicContact CD1-CG2 3.53Å; L256-V258 HydrophobicContact CD2-CG2 4.37Å; L256-V258 HydrophobicContact CG-CG2 3.74Å; L256-I271 HydrophobicContact CD2-CD1 4.12Å; L256-L277 HydrophobicContact CB-CD1 3.89Å; L256-K279 PolarHBondContact N-O 3.17Å; L256-L280 HydrophobicContact CB-CD1 4.03Å; L256-L280 HydrophobicContact CD2-CD1 3.87Å; L256-L280 HydrophobicContact CG-CD1 3.96Å; L256-L280 WeakPolarHBondContact O-CA 3.28Å; L256-D281 PolarHBondContact O-N 3.02Å
257	V	98.5	Very high	94.7	Very high	11 Å²	11	46.8 Å²	46.8	7%	0.067	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	112.3	178.7	-179.5	0	0	0	0	108.8	L233 L234 L235 T236 V255 S259 D281	L233-V257 PolarHBondContact O-N 3.38Å; L234-V257 HydrophobicContact CD2-CB 3.89Å; L234-V257 HydrophobicContact CD2-CG2 3.68Å; L235-V257 WeakPolarHBondContact CA-O 3.35Å; L235-V257 WeakPolarHBondContact CB-O 3.39Å; L235-V257 PolarHBondContact N-O 3.21Å; T236-V257 WeakPolarHBondContact OG1-CG1 3.41Å; V255-V257 HydrophobicContact CG1-CG2 3.87Å; V257-S259 WeakPolarHBondContact CG1-OG 3.21Å; V257-D281 HydrophobicContact CB-CB 4.41Å; V257-D281 HydrophobicContact CG1-CB 4.07Å; V257-D281 HydrophobicContact CG2-CB 4.24Å
258	V	97.3	Very high	94.6	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.006	21%	0.213	C	C	.	.			trans	-127.1	25.7	-179.4	-152.4	0	0	0	0	111	L235 L240 I243 L256 N261 I263 D281 L282 N285	L235-V258 HydrophobicContact CB-CG1 4.16Å; L235-V258 HydrophobicContact CD1-CG1 4.32Å; L235-V258 HydrophobicContact CD1-CG2 4.27Å; L240-V258 HydrophobicContact CD1-CG1 3.93Å; I243-V258 HydrophobicContact CD1-CG2 4.26Å; L256-V258 HydrophobicContact CD1-CG2 3.53Å; L256-V258 HydrophobicContact CD2-CG2 4.37Å; L256-V258 HydrophobicContact CG-CG2 3.74Å; V258-N261 HydrophobicContact CG1-CB 4.49Å; V258-N261 PolarHBondContact O-ND2 3.23Å; V258-I263 HydrophobicContact CB-CD1 4.19Å; V258-I263 HydrophobicContact CG1-CD1 3.66Å; V258-D281 PolarHBondContact N-O 3.28Å; V258-L282 HydrophobicContact CB-CD2 4.34Å; V258-N285 PolarHBondContact O-ND2 3.37Å
259	S	97.6	Very high	94.6	Very high	6 Å²	6	49.5 Å²	49.5	4%	0.042	23%	0.231	C	C	.	.			trans	-64.1	153.9	-179.4	42.7	0	0	0	0	113.4	T236 Y237 V257 N261 D281 S283	T236-S259 WeakPolarHBondContact CA-O 3.23Å; T236-S259 WeakPolarHBondContact CG2-OG 3.26Å; T236-S259 PolarHBondContact OG1-OG 2.97Å; Y237-S259 PolarHBondContact N-O 2.95Å; V257-S259 WeakPolarHBondContact CG1-OG 3.21Å; S259-N261 PolarHBondContact O-N 2.84Å; S259-N261 PolarHBondContact O-ND2 3.37Å; S259-D281 WeakPolarHBondContact CB-OD2 3.28Å; S259-D281 PolarHBondContact N-O 2.89Å; S259-D281 PolarHBondContact OG-OD2 3.14Å; S259-S283 CarbonylContact C-O 3.53Å; S259-S283 WeakPolarHBondContact CA-O 3.31Å; S259-S283 VanDerWaalsContact CB-O 3.28Å; S259-S283 WeakPolarHBondContact CB-O 3.48Å; S259-S283 VanDerWaalsContact CB-OG 3.22Å; S259-S283 WeakPolarHBondContact CB-OG 3.2Å
260	R	98.1	Very high	94.5	Very high	95 Å²	95	44.5 Å²	44.5	36%	0.358	21%	0.212	S	C	.	.	S	Bend	trans	55	52.5	178.4	-58.7	179.6	177	-85.9	1	112.3	T236 Y237 N238 S283 F284	T236-R260 HydrophobicContact CG2-CB 4.38Å; Y237-R260 WeakPolarHBondContact CA-O 3.28Å; Y237-R260 HydrophobicContact CD1-CB 4.12Å; Y237-R260 HydrophobicContact CD2-CB 4.49Å; Y237-R260 HydrophobicContact CE1-CB 4.33Å; Y237-R260 VanDerWaalsContact CE1-CD 3.5Å; Y237-R260 HydrophobicContact CG-CB 4.22Å; Y237-R260 PolarHBondContact N-O 3.32Å; Y237-R260 VanDerWaalsContact OH-CD 3.32Å; Y237-R260 WeakPolarHBondContact OH-CD 3.5Å; Y237-R260 PolarHBondContact OH-NE 3.48Å; Y237-R260 PolarHBondContact OH-NH1 3.34Å; N238-R260 PolarHBondContact N-O 3.39Å; R260-S283 PolarHBondContact N-O 3.28Å; R260-F284 WeakPolarHBondContact CA-O 3.14Å; R260-F284 HydrophobicContact CB-CB 4.3Å; R260-F284 HydrophobicContact CG-CB 3.51Å; R260-F284 HydrophobicContact CG-CD2 4.1Å; R260-F284 HydrophobicContact CG-CG 3.89Å; R260-F284 PolarHBondContact N-O 2.72Å
261	N	97.7	Very high	94.5	Very high	6 Å²	6	44.5 Å²	44.5	3%	0.032	21%	0.212	C	C	.	.	S	Bend	trans	-119.3	-166.5	171.8	-86.1	-83.2	0	0	0	109.4	L235 N238 K239 L240 V258 S259 I263 F284 N285	L235-N261 PolarHBondContact O-ND2 3.09Å; N238-N261 VanDerWaalsContact CA-OD1 3.32Å; N238-N261 WeakPolarHBondContact CA-OD1 3.35Å; N238-N261 WeakPolarHBondContact CB-OD1 3.48Å; N238-N261 PolarHBondContact O-OD1 2.85Å; K239-N261 PolarHBondContact N-OD1 2.87Å; L240-N261 HydrophobicContact CB-CB 4.28Å; L240-N261 WeakPolarHBondContact CB-OD1 3.29Å; L240-N261 WeakPolarHBondContact CG-OD1 3.49Å; L240-N261 PolarHBondContact N-OD1 3.13Å; V258-N261 HydrophobicContact CG1-CB 4.49Å; V258-N261 PolarHBondContact O-ND2 3.23Å; S259-N261 PolarHBondContact O-N 2.84Å; S259-N261 PolarHBondContact O-ND2 3.37Å; N261-I263 HydrophobicContact CB-CG1 4.27Å; N261-F284 PolarHBondContact N-O 3.33Å; N261-N285 VanDerWaalsContact CA-OD1 3.32Å; N261-N285 WeakPolarHBondContact CA-OD1 3.32Å; N261-N285 WeakPolarHBondContact CB-OD1 3.45Å; N261-N285 PolarHBondContact N-OD1 2.99Å; N261-N285 PolarHBondContact O-OD1 2.82Å
262	L	96.6	Very high	94.5	Very high	74 Å²	74	40.3 Å²	40.3	39%	0.387	19%	0.194	S	C	.	.			trans	-115.4	31	-179.8	-59.5	175.7	0	0	0	111.2	K239 L240 R264	K239-L262 HydrophobicContact CB-CD1 4.17Å; L240-L262 CarbonylContact O-C 3.36Å; L240-L262 VanDerWaalsContact O-CA 3.28Å; L240-L262 WeakPolarHBondContact O-CA 3.47Å; L240-L262 PolarHBondContact O-N 2.86Å; L262-R264 PolarHBondContact O-N 2.95Å
263	I	95.8	Very high	94.4	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	19%	0.193	C	C	.	.			trans	-65.6	109.3	-176.9	-60.7	173.9	0	0	0	108.8	L240 T241 I243 V258 N261 Q265 L282 N285 H286 I287	L240-I263 PolarHBondContact O-N 3.14Å; T241-I263 WeakPolarHBondContact O-CA 3.48Å; I243-I263 HydrophobicContact CD1-CD1 4.12Å; I243-I263 HydrophobicContact CG1-CD1 4.1Å; V258-I263 HydrophobicContact CB-CD1 4.19Å; V258-I263 HydrophobicContact CG1-CD1 3.66Å; N261-I263 HydrophobicContact CB-CG1 4.27Å; I263-Q265 WeakPolarHBondContact CG2-O 3.32Å; I263-L282 HydrophobicContact CD1-CD2 4.4Å; I263-N285 HydrophobicContact CB-CB 4.15Å; I263-N285 WeakPolarHBondContact CB-OD1 3.27Å; I263-N285 WeakPolarHBondContact CG1-OD1 3.33Å; I263-N285 PolarHBondContact N-OD1 2.98Å; I263-N285 VanDerWaalsContact N-OD1 3.09Å; I263-H286 CarbonylContact O-C 3.3Å; I263-H286 VanDerWaalsContact O-CA 3.23Å; I263-H286 WeakPolarHBondContact O-CA 3.46Å; I263-H286 WeakPolarHBondContact O-CB 3.27Å; I263-H286 PolarHBondContact O-N 2.83Å; I263-I287 HydrophobicContact CB-CG1 4.29Å; I263-I287 HydrophobicContact CG2-CD1 4.32Å; I263-I287 HydrophobicContact CG2-CG1 3.82Å; I263-I287 PolarHBondContact O-N 3.43Å
264	R	85.9	Confident	94.4	Very high	174 Å²	174	39.1 Å²	39.1	66%	0.657	19%	0.194	S	C	*	.			trans	-109	-31.4	178.7	-74.8	177.3	-178.2	-150.3	-0.2	112.9	T241 L262 H286	T241-R264 PolarHBondContact O-N 2.95Å; L262-R264 PolarHBondContact O-N 2.95Å; R264-H286 HydrophobicContact CB-CB 4.39Å; R264-H286 HydrophobicContact CG-CB 3.55Å
265	Q	72.3	Confident	94.4	Very high	120 Å²	120	41.6 Å²	41.6	56%	0.561	21%	0.208	S	C	*	.	S	Bend	trans	-78.2	152.8	176.5	-70.2	-177.6	-3.9	0	0	110	H242 I263	H242-Q265 HydrophobicContact CB-CB 4.17Å; I263-Q265 WeakPolarHBondContact CG2-O 3.32Å
266	D	79.7	Confident	94.3	Very high	88 Å²	88	46.3 Å²	46.3	47%	0.471	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-56	147.9	175.9	-57.8	-37.9	0	0	0	111	T288	D266-T288 PolarHBondContact OD1-OG1 2.84Å
267	L	92.4	Very high	94.3	Very high	8 Å²	8	46.3 Å²	46.3	4%	0.042	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-60	139.5	169.7	-75.2	122.7	0	0	0	109.9	I243 S269 I271 L282 I287 L290 P291	I243-L267 HydrophobicContact CD1-CD2 3.71Å; L267-S269 PolarHBondContact O-N 3.31Å; L267-I271 HydrophobicContact CD2-CD1 4.31Å; L267-I271 HydrophobicContact CD2-CG1 4.29Å; L267-L282 HydrophobicContact CD1-CD1 3.62Å; L267-L282 HydrophobicContact CD2-CD1 3.82Å; L267-L282 HydrophobicContact CD2-CD2 4.01Å; L267-L282 HydrophobicContact CG-CD1 4.31Å; L267-I287 HydrophobicContact CD1-CD1 4.22Å; L267-I287 HydrophobicContact CD1-CG2 4.3Å; L267-L290 HydrophobicContact CD1-CD2 3.53Å; L267-P291 HydrophobicContact CB-CG 4.04Å
268	P	95	Very high	94.3	Very high	20 Å²	20	48.4 Å²	48.4	13%	0.13	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-62.1	140.4	176.4	27.3	-34.5	0	0	0	109.9	I243 I247 S270 I271	I243-P268 HydrophobicContact CB-CG 4.4Å; I243-P268 HydrophobicContact CG2-CG 4.08Å; I247-P268 HydrophobicContact CG2-CG 4.2Å; P268-S270 PolarHBondContact O-N 3.3Å; P268-I271 WeakPolarHBondContact O-CB 3.45Å; P268-I271 VanDerWaalsContact O-CG2 3.3Å; P268-I271 WeakPolarHBondContact O-CG2 3.5Å; P268-I271 PolarHBondContact O-N 3.31Å
269	S	95.2	Very high	94.4	Very high	84 Å²	84	49.3 Å²	49.3	59%	0.587	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-57.3	-22	178.3	65.8	0	0	0	0	113	L267 I271 G272 S293	L267-S269 PolarHBondContact O-N 3.31Å; S269-I271 PolarHBondContact O-N 3.39Å; S269-G272 PolarHBondContact O-N 2.95Å; S269-S293 VanDerWaalsContact C-OG 3.31Å; S269-S293 WeakPolarHBondContact CA-OG 3.41Å; S269-S293 WeakPolarHBondContact O-CB 3.43Å; S269-S293 PolarHBondContact O-OG 3.47Å
270	S	96.2	Very high	94.4	Very high	3 Å²	3	49.1 Å²	49.1	2%	0.021	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-71	-8.6	176.7	65.2	0	0	0	0	114.7	D245 P268 G272 E273	D245-S270 PolarHBondContact O-OG 2.99Å; D245-S270 VanDerWaalsContact O-OG 3.13Å; D245-S270 WeakPolarHBondContact OD1-CB 3.13Å; D245-S270 PolarHBondContact OD1-OG 2.94Å; P268-S270 PolarHBondContact O-N 3.3Å; S270-G272 PolarHBondContact O-N 3.06Å; S270-E273 WeakPolarHBondContact O-CB 3.38Å; S270-E273 PolarHBondContact O-N 3.18Å
271	I	96.5	Very high	94.4	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-54.9	-33.8	168	-160.6	73.3	0	0	0	111.5	L256 L267 P268 S269 E273 L274 P291 I294 C297	L256-I271 HydrophobicContact CD2-CD1 4.12Å; L267-I271 HydrophobicContact CD2-CD1 4.31Å; L267-I271 HydrophobicContact CD2-CG1 4.29Å; P268-I271 WeakPolarHBondContact O-CB 3.45Å; P268-I271 VanDerWaalsContact O-CG2 3.3Å; P268-I271 WeakPolarHBondContact O-CG2 3.5Å; P268-I271 PolarHBondContact O-N 3.31Å; S269-I271 PolarHBondContact O-N 3.39Å; I271-E273 PolarHBondContact O-N 2.98Å; I271-E273 VanDerWaalsContact O-N 3.14Å; I271-L274 HydrophobicContact CD1-CD1 3.71Å; I271-L274 HydrophobicContact CG1-CD1 4.49Å; I271-L274 WeakPolarHBondContact O-CB 3.35Å; I271-L274 WeakPolarHBondContact O-CG 3.45Å; I271-L274 PolarHBondContact O-N 3.36Å; I271-L274 VanDerWaalsContact O-N 3.1Å; I271-P291 HydrophobicContact CG2-CG 3.76Å; I271-I294 HydrophobicContact CG2-CD1 4.35Å; I271-C297 PolarHBondContact O-SG 3.04Å
272	G	97	Very high	94.4	Very high	2 Å²	2	44.6 Å²	44.6	2%	0.021	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-65.3	-11.9	177	0	0	0	0	0	114.5	S269 S270 L274 S293 K296	S269-G272 PolarHBondContact O-N 2.95Å; S270-G272 PolarHBondContact O-N 3.06Å; G272-L274 VanDerWaalsContact C-N 3.31Å; G272-S293 WeakPolarHBondContact CA-O 3.22Å; G272-K296 WeakPolarHBondContact O-CB 3.36Å
273	E	97.5	Very high	94.5	Very high	87 Å²	87	41.4 Å²	41.4	41%	0.407	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-85.2	-4.9	174.9	-51.7	-175.6	-150.5	0	0	113.5	K251 S270 I271 T275	K251-E273 IonicContact NZ-OE2 2.99Å; K251-E273 PolarHBondContact NZ-OE2 3.33Å; S270-E273 WeakPolarHBondContact O-CB 3.38Å; S270-E273 PolarHBondContact O-N 3.18Å; I271-E273 PolarHBondContact O-N 2.98Å; I271-E273 VanDerWaalsContact O-N 3.14Å; E273-T275 PolarHBondContact O-N 2.96Å; E273-T275 VanDerWaalsContact O-N 3.1Å
274	L	97.8	Very high	94.6	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	22%	0.222	C	C	.	.			trans	-84.1	61.2	176.1	-55.2	-175.1	0	0	0	110.6	I247 L250 L253 I271 G272 K276 L277	I247-L274 HydrophobicContact CG1-CD1 4.06Å; I247-L274 WeakPolarHBondContact O-CD2 3.41Å; L250-L274 WeakPolarHBondContact O-CD2 3.14Å; L253-L274 HydrophobicContact CD2-CD1 4.03Å; I271-L274 HydrophobicContact CD1-CD1 3.71Å; I271-L274 HydrophobicContact CG1-CD1 4.49Å; I271-L274 WeakPolarHBondContact O-CB 3.35Å; I271-L274 WeakPolarHBondContact O-CG 3.45Å; I271-L274 PolarHBondContact O-N 3.36Å; I271-L274 VanDerWaalsContact O-N 3.1Å; G272-L274 VanDerWaalsContact C-N 3.31Å; L274-K276 PolarHBondContact O-N 3.11Å; L274-L277 HydrophobicContact CB-CB 4.23Å; L274-L277 WeakPolarHBondContact O-CB 3.23Å; L274-L277 PolarHBondContact O-N 2.88Å
275	T	97.2	Very high	95.2	Very high	75 Å²	75	36.4 Å²	36.4	46%	0.46	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-12.3	-170.9	62.6	0	0	0	0	114.8	E273 S299	E273-T275 PolarHBondContact O-N 2.96Å; E273-T275 VanDerWaalsContact O-N 3.1Å; T275-S299 VanDerWaalsContact O-CB 3.27Å; T275-S299 WeakPolarHBondContact O-CB 3.34Å; T275-S299 PolarHBondContact O-OG 3.26Å
276	K	97.9	Very high	96.3	Very high	115 Å²	115	33.2 Å²	33.2	50%	0.5	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-3.9	174.2	-68.2	-168.4	-179.7	-176.8	0	114.1	K251 L253 L274 V278	K251-K276 WeakPolarHBondContact O-CD 3.45Å; L253-K276 CarbonylContact O-C 3.22Å; L274-K276 PolarHBondContact O-N 3.11Å; K276-V278 PolarHBondContact O-N 2.78Å
277	L	98.3	Very high	97.1	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.155	C	C	.	.			trans	-63.7	123.3	-177.3	-159.6	67.7	0	0	0	110	L253 L256 L274 L280 S299 L300	L253-L277 HydrophobicContact CD2-CD1 4.32Å; L253-L277 HydrophobicContact CG-CD1 4.26Å; L253-L277 WeakPolarHBondContact O-CA 3.39Å; L253-L277 PolarHBondContact O-N 3.34Å; L256-L277 HydrophobicContact CB-CD1 3.89Å; L274-L277 HydrophobicContact CB-CB 4.23Å; L274-L277 WeakPolarHBondContact O-CB 3.23Å; L274-L277 PolarHBondContact O-N 2.88Å; L277-L280 HydrophobicContact CD2-CB 3.83Å; L277-L280 HydrophobicContact CD2-CD1 4.27Å; L277-L280 HydrophobicContact CD2-CD2 4.11Å; L277-L280 HydrophobicContact CD2-CG 4.29Å; L277-L280 HydrophobicContact CG-CB 4.47Å; L277-S299 CarbonylContact O-C 3.11Å; L277-S299 WeakPolarHBondContact O-CB 3.43Å; L277-L300 HydrophobicContact CB-CD2 4.19Å; L277-L300 HydrophobicContact CD2-CD2 4.06Å; L277-L300 HydrophobicContact CG-CD2 3.9Å; L277-L300 VanDerWaalsContact O-CA 3.31Å; L277-L300 WeakPolarHBondContact O-CA 3.39Å; L277-L300 PolarHBondContact O-N 3.03Å
278	V	98.6	Very high	97.2	Very high	56 Å²	56	30.6 Å²	30.6	34%	0.339	17%	0.165	S	C	.	.			trans	-104.6	-39.8	179	178.7	0	0	0	0	110.5	S254 K276 R301 D302	S254-V278 WeakPolarHBondContact O-CA 3.39Å; S254-V278 PolarHBondContact O-N 2.95Å; K276-V278 PolarHBondContact O-N 2.78Å; V278-R301 HydrophobicContact CG1-CB 4.06Å; V278-R301 HydrophobicContact CG1-CG 4Å; V278-R301 PolarHBondContact O-N 3.27Å; V278-D302 PolarHBondContact O-N 2.79Å; V278-D302 VanDerWaalsContact O-N 3.09Å
279	K	98.6	Very high	97.2	Very high	20 Å²	20	33.5 Å²	33.5	9%	0.087	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	125.2	177.1	-178.6	168.6	-174.8	168.5	0	110.6	D50 S254 V255 L256 D302	D50-K279 IonicContact OD1-NZ 2.69Å; D50-K279 PolarHBondContact OD1-NZ 3.18Å; D50-K279 IonicContact OD2-NZ 3.31Å; D50-K279 PolarHBondContact OD2-NZ 3.14Å; S254-K279 PolarHBondContact O-N 3.29Å; V255-K279 HydrophobicContact CG1-CB 4.36Å; V255-K279 HydrophobicContact CG2-CB 4.33Å; L256-K279 PolarHBondContact N-O 3.17Å; K279-D302 WeakPolarHBondContact CA-O 3.36Å; K279-D302 HydrophobicContact CB-CB 4.28Å; K279-D302 VanDerWaalsContact CE-OD2 3.28Å; K279-D302 WeakPolarHBondContact CE-OD2 3.47Å; K279-D302 HydrophobicContact CG-CB 4.06Å; K279-D302 IonicContact NZ-OD2 2.78Å
280	L	98.4	Very high	97.3	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	109.4	170.4	178.5	55.7	0	0	0	109.1	L256 L277 L282 I294 L300 D302 L303 N304	L256-L280 HydrophobicContact CB-CD1 4.03Å; L256-L280 HydrophobicContact CD2-CD1 3.87Å; L256-L280 HydrophobicContact CG-CD1 3.96Å; L256-L280 WeakPolarHBondContact O-CA 3.28Å; L277-L280 HydrophobicContact CD2-CB 3.83Å; L277-L280 HydrophobicContact CD2-CD1 4.27Å; L277-L280 HydrophobicContact CD2-CD2 4.11Å; L277-L280 HydrophobicContact CD2-CG 4.29Å; L277-L280 HydrophobicContact CG-CB 4.47Å; L280-L282 HydrophobicContact CD1-CD1 4Å; L280-L282 HydrophobicContact CD1-CD2 4.25Å; L280-L282 HydrophobicContact CD1-CG 3.85Å; L280-L282 HydrophobicContact CD2-CD1 3.8Å; L280-L282 HydrophobicContact CG-CD1 3.78Å; L280-L282 HydrophobicContact CG-CG 4Å; L280-I294 HydrophobicContact CD2-CD1 3.82Å; L280-L300 HydrophobicContact CB-CD2 3.89Å; L280-D302 PolarHBondContact N-O 2.97Å; L280-L303 HydrophobicContact CB-CD1 3.98Å; L280-L303 HydrophobicContact CD2-CD1 3.89Å; L280-L303 HydrophobicContact CG-CD1 3.99Å; L280-L303 WeakPolarHBondContact O-CA 3.25Å; L280-N304 PolarHBondContact O-N 2.94Å
281	D	98.5	Very high	97.3	Very high	7 Å²	7	31.1 Å²	31.1	4%	0.037	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	112.9	175.5	176.6	20.5	0	0	0	111.2	L256 V257 V258 S259 S283 N304	L256-D281 PolarHBondContact O-N 3.02Å; V257-D281 HydrophobicContact CB-CB 4.41Å; V257-D281 HydrophobicContact CG1-CB 4.07Å; V257-D281 HydrophobicContact CG2-CB 4.24Å; V258-D281 PolarHBondContact N-O 3.28Å; S259-D281 WeakPolarHBondContact CB-OD2 3.28Å; S259-D281 PolarHBondContact N-O 2.89Å; S259-D281 PolarHBondContact OG-OD2 3.14Å; D281-S283 VanDerWaalsContact OD1-CB 3.22Å; D281-S283 WeakPolarHBondContact OD1-CB 3.4Å; D281-S283 PolarHBondContact OD1-N 2.76Å; D281-S283 PolarHBondContact OD1-OG 2.65Å; D281-N304 HydrophobicContact CB-CB 4.08Å; D281-N304 WeakPolarHBondContact OD1-CB 3.33Å
282	L	97.6	Very high	97.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.187	C	C	.	.			trans	-120.4	14.3	178.9	-66.2	162	0	0	0	111.2	I243 V258 I263 L267 L280 N285 I287 N304 L305 N308	I243-L282 HydrophobicContact CD1-CD2 4.03Å; V258-L282 HydrophobicContact CB-CD2 4.34Å; I263-L282 HydrophobicContact CD1-CD2 4.4Å; L267-L282 HydrophobicContact CD1-CD1 3.62Å; L267-L282 HydrophobicContact CD2-CD1 3.82Å; L267-L282 HydrophobicContact CD2-CD2 4.01Å; L267-L282 HydrophobicContact CG-CD1 4.31Å; L280-L282 HydrophobicContact CD1-CD1 4Å; L280-L282 HydrophobicContact CD1-CD2 4.25Å; L280-L282 HydrophobicContact CD1-CG 3.85Å; L280-L282 HydrophobicContact CD2-CD1 3.8Å; L280-L282 HydrophobicContact CG-CD1 3.78Å; L280-L282 HydrophobicContact CG-CG 4Å; L282-N285 PolarHBondContact O-ND2 2.93Å; L282-I287 HydrophobicContact CB-CD1 3.75Å; L282-I287 HydrophobicContact CD1-CD1 4.21Å; L282-I287 HydrophobicContact CD2-CD1 4.12Å; L282-I287 HydrophobicContact CG-CD1 4.26Å; L282-N304 CarbonylContact C-O 3.18Å; L282-N304 WeakPolarHBondContact CA-O 3.22Å; L282-N304 PolarHBondContact N-O 2.68Å; L282-L305 HydrophobicContact CB-CD2 4.17Å; L282-L305 HydrophobicContact CD1-CD2 3.96Å; L282-N308 PolarHBondContact O-ND2 2.8Å
283	S	98	Very high	97.3	Very high	6 Å²	6	37.3 Å²	37.3	4%	0.042	19%	0.191	C	C	.	.			trans	-61	154.1	-177	63.3	0	0	0	0	112.8	S259 R260 D281 N285 N304 Q306	S259-S283 CarbonylContact C-O 3.53Å; S259-S283 WeakPolarHBondContact CA-O 3.31Å; S259-S283 VanDerWaalsContact CB-O 3.28Å; S259-S283 WeakPolarHBondContact CB-O 3.48Å; S259-S283 VanDerWaalsContact CB-OG 3.22Å; S259-S283 WeakPolarHBondContact CB-OG 3.2Å; R260-S283 PolarHBondContact N-O 3.28Å; D281-S283 VanDerWaalsContact OD1-CB 3.22Å; D281-S283 WeakPolarHBondContact OD1-CB 3.4Å; D281-S283 PolarHBondContact OD1-N 2.76Å; D281-S283 PolarHBondContact OD1-OG 2.65Å; S283-N285 PolarHBondContact O-N 3.36Å; S283-N285 PolarHBondContact O-ND2 2.92Å; S283-N304 PolarHBondContact N-O 3.35Å; S283-Q306 CarbonylContact C-O 3.3Å; S283-Q306 WeakPolarHBondContact CA-O 3.4Å; S283-Q306 WeakPolarHBondContact CB-O 3.22Å
284	F	98	Very high	97.3	Very high	65 Å²	65	33.3 Å²	33.3	29%	0.285	17%	0.172	S	C	.	.	S	Bend	trans	54.5	53.7	-178.8	-60.5	-91.2	0	0	0	112.7	R260 N261 Q306 H307	R260-F284 WeakPolarHBondContact CA-O 3.14Å; R260-F284 HydrophobicContact CB-CB 4.3Å; R260-F284 HydrophobicContact CG-CB 3.51Å; R260-F284 HydrophobicContact CG-CD2 4.1Å; R260-F284 HydrophobicContact CG-CG 3.89Å; R260-F284 PolarHBondContact N-O 2.72Å; N261-F284 PolarHBondContact N-O 3.33Å; F284-Q306 PolarHBondContact N-O 2.8Å; F284-H307 VanDerWaalsContact CA-O 3.23Å; F284-H307 WeakPolarHBondContact CA-O 3.16Å; F284-H307 HydrophobicContact CB-CB 4.47Å; F284-H307 HydrophobicContact CD1-CB 3.64Å; F284-H307 AromaticContact CD1-CD2 3.93Å; F284-H307 AromaticContact CD1-CG 3.77Å; F284-H307 HydrophobicContact CD2-CB 4.48Å; F284-H307 HydrophobicContact CE1-CB 3.92Å; F284-H307 AromaticContact CE1-CD2 3.29Å; F284-H307 WeakPolarHBondContact CE1-CD2 3.49Å; F284-H307 AromaticContact CE1-CG 3.48Å; F284-H307 VanDerWaalsContact CE1-CG 3.48Å; F284-H307 AromaticContact CE1-NE2 3.73Å; F284-H307 AromaticContact CE2-CD2 3.72Å; F284-H307 HydrophobicContact CG-CB 3.95Å; F284-H307 HydrophobicContact CZ-CB 4.44Å; F284-H307 AromaticContact CZ-CD2 3.16Å; F284-H307 WeakPolarHBondContact CZ-CD2 3.39Å; F284-H307 AromaticContact CZ-CG 3.86Å; F284-H307 AromaticContact CZ-NE2 3.58Å; F284-H307 PolarHBondContact N-O 3.45Å
285	N	97.7	Very high	97.3	Very high	6 Å²	6	33.4 Å²	33.4	3%	0.032	17%	0.173	C	C	.	.	S	Bend	trans	-125.5	-161.3	171	-82.3	-76.8	0	0	0	109	V258 N261 I263 L282 S283 I287 H307 N308	V258-N285 PolarHBondContact O-ND2 3.37Å; N261-N285 VanDerWaalsContact CA-OD1 3.32Å; N261-N285 WeakPolarHBondContact CA-OD1 3.32Å; N261-N285 WeakPolarHBondContact CB-OD1 3.45Å; N261-N285 PolarHBondContact N-OD1 2.99Å; N261-N285 PolarHBondContact O-OD1 2.82Å; I263-N285 HydrophobicContact CB-CB 4.15Å; I263-N285 WeakPolarHBondContact CB-OD1 3.27Å; I263-N285 WeakPolarHBondContact CG1-OD1 3.33Å; I263-N285 PolarHBondContact N-OD1 2.98Å; I263-N285 VanDerWaalsContact N-OD1 3.09Å; L282-N285 PolarHBondContact O-ND2 2.93Å; S283-N285 PolarHBondContact O-N 3.36Å; S283-N285 PolarHBondContact O-ND2 2.92Å; N285-I287 HydrophobicContact CB-CD1 4.12Å; N285-I287 HydrophobicContact CB-CG1 4.1Å; N285-H307 PolarHBondContact N-O 2.82Å; N285-N308 WeakPolarHBondContact CA-OD1 3.14Å; N285-N308 WeakPolarHBondContact CB-OD1 3.32Å; N285-N308 PolarHBondContact N-OD1 2.61Å; N285-N308 PolarHBondContact O-OD1 2.93Å
286	H	96.5	Very high	97.3	Very high	53 Å²	53	36.4 Å²	36.4	25%	0.245	18%	0.18	C	C	.	.			trans	-126.1	34	178.7	-57.4	-62.4	0	0	0	111	I263 R264 N308	I263-H286 CarbonylContact O-C 3.3Å; I263-H286 VanDerWaalsContact O-CA 3.23Å; I263-H286 WeakPolarHBondContact O-CA 3.46Å; I263-H286 WeakPolarHBondContact O-CB 3.27Å; I263-H286 PolarHBondContact O-N 2.83Å; R264-H286 HydrophobicContact CB-CB 4.39Å; R264-H286 HydrophobicContact CG-CB 3.55Å; H286-N308 PolarHBondContact N-OD1 3.2Å
287	I	96.3	Very high	97.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.156	C	C	.	.			trans	-71.7	130.1	-175.8	-61.5	163	0	0	0	109.3	I263 L267 L282 N285 F289 L290 N308 Q309 L310	I263-I287 HydrophobicContact CB-CG1 4.29Å; I263-I287 HydrophobicContact CG2-CD1 4.32Å; I263-I287 HydrophobicContact CG2-CG1 3.82Å; I263-I287 PolarHBondContact O-N 3.43Å; L267-I287 HydrophobicContact CD1-CD1 4.22Å; L267-I287 HydrophobicContact CD1-CG2 4.3Å; L282-I287 HydrophobicContact CB-CD1 3.75Å; L282-I287 HydrophobicContact CD1-CD1 4.21Å; L282-I287 HydrophobicContact CD2-CD1 4.12Å; L282-I287 HydrophobicContact CG-CD1 4.26Å; N285-I287 HydrophobicContact CB-CD1 4.12Å; N285-I287 HydrophobicContact CB-CG1 4.1Å; I287-F289 VanDerWaalsContact CG2-O 3.23Å; I287-F289 WeakPolarHBondContact CG2-O 3.32Å; I287-L290 HydrophobicContact CG2-CD2 4.38Å; I287-N308 HydrophobicContact CB-CB 4.43Å; I287-N308 WeakPolarHBondContact CB-OD1 3.29Å; I287-N308 WeakPolarHBondContact CG1-OD1 3.47Å; I287-N308 PolarHBondContact N-OD1 3.45Å; I287-Q309 CarbonylContact O-C 3.26Å; I287-Q309 WeakPolarHBondContact O-CA 3.38Å; I287-Q309 PolarHBondContact O-N 2.91Å; I287-L310 HydrophobicContact CG2-CD2 3.85Å; I287-L310 PolarHBondContact O-N 3.48Å
288	T	95	Very high	97.3	Very high	41 Å²	41	34 Å²	34	25%	0.252	18%	0.176	S	C	.	.			trans	-99.1	-29.9	-179	48.9	0	0	0	0	113.6	D266 Q309 L310 T311	D266-T288 PolarHBondContact OD1-OG1 2.84Å; T288-Q309 HydrophobicContact CG2-CB 4.15Å; T288-L310 WeakPolarHBondContact O-CA 3.45Å; T288-T311 PolarHBondContact O-N 3.09Å
289	F	94.6	Very high	97.3	Very high	81 Å²	81	33.5 Å²	33.5	36%	0.355	17%	0.174	S	C	.	.			trans	-142.7	154.7	177.6	-56.2	-80.8	0	0	0	112.2	I287 T311 K312	I287-F289 VanDerWaalsContact CG2-O 3.23Å; I287-F289 WeakPolarHBondContact CG2-O 3.32Å; F289-T311 WeakPolarHBondContact CE1-OG1 3.06Å; F289-K312 HydrophobicContact CD1-CD 4.42Å; F289-K312 HydrophobicContact CD1-CG 3.98Å; F289-K312 HydrophobicContact CE1-CD 4.42Å; F289-K312 HydrophobicContact CE1-CG 4.17Å
290	L	96.1	Very high	97.2	Very high	14 Å²	14	32.5 Å²	32.5	7%	0.073	17%	0.17	C	C	.	.			trans	-104.1	140.7	165.6	-59.3	175.8	0	0	0	109.7	L267 I287 L305 L310 L313 P314	L267-L290 HydrophobicContact CD1-CD2 3.53Å; I287-L290 HydrophobicContact CG2-CD2 4.38Å; L290-L305 HydrophobicContact CD1-CD1 3.58Å; L290-L305 HydrophobicContact CD1-CD2 4.23Å; L290-L305 HydrophobicContact CD2-CD2 3.78Å; L290-L310 HydrophobicContact CD2-CD2 4.32Å; L290-L310 HydrophobicContact CG-CD2 3.99Å; L290-L313 HydrophobicContact CD1-CD2 3.99Å; L290-P314 HydrophobicContact CB-CG 4.07Å
291	P	96.2	Very high	97.2	Very high	23 Å²	23	38.9 Å²	38.9	15%	0.149	19%	0.194	C	C	.	.			trans	-71.1	142.8	174.8	30	-35.6	0	0	0	110.8	L267 I271 S293 I294	L267-P291 HydrophobicContact CB-CG 4.04Å; I271-P291 HydrophobicContact CG2-CG 3.76Å; P291-S293 PolarHBondContact O-N 3.04Å; P291-I294 WeakPolarHBondContact O-CB 3.44Å; P291-I294 WeakPolarHBondContact O-CG2 3.48Å; P291-I294 PolarHBondContact O-N 3.33Å
292	D	97	Very high	97.2	Very high	117 Å²	117	39.3 Å²	39.3	63%	0.626	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-56.6	-22.6	176.1	-64.4	-21.9	0	0	0	113.2	I294 G295 P314 S316	D292-I294 PolarHBondContact O-N 2.8Å; D292-G295 PolarHBondContact O-N 2.88Å; D292-P314 WeakPolarHBondContact OD1-CB 3.32Å; D292-S316 WeakPolarHBondContact CA-OG 3.2Å; D292-S316 WeakPolarHBondContact O-CB 3.5Å; D292-S316 PolarHBondContact O-OG 3.03Å
293	S	97.5	Very high	97.3	Very high	16 Å²	16	39.4 Å²	39.4	11%	0.112	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-65.1	-16.8	175.5	64.4	0	0	0	0	113.4	S269 G272 P291 G295 K296	S269-S293 VanDerWaalsContact C-OG 3.31Å; S269-S293 WeakPolarHBondContact CA-OG 3.41Å; S269-S293 WeakPolarHBondContact O-CB 3.43Å; S269-S293 PolarHBondContact O-OG 3.47Å; G272-S293 WeakPolarHBondContact CA-O 3.22Å; P291-S293 PolarHBondContact O-N 3.04Å; S293-G295 PolarHBondContact O-N 3.36Å; S293-G295 VanDerWaalsContact O-N 3.15Å; S293-K296 VanDerWaalsContact O-CB 3.27Å; S293-K296 WeakPolarHBondContact O-CB 3.36Å; S293-K296 PolarHBondContact O-N 3.27Å
294	I	97.5	Very high	97.3	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.01	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-55.6	-32.5	175.7	-166	60.5	0	0	0	111.6	I271 L280 P291 D292 K296 C297 L300 P314	I271-I294 HydrophobicContact CG2-CD1 4.35Å; L280-I294 HydrophobicContact CD2-CD1 3.82Å; P291-I294 WeakPolarHBondContact O-CB 3.44Å; P291-I294 WeakPolarHBondContact O-CG2 3.48Å; P291-I294 PolarHBondContact O-N 3.33Å; D292-I294 PolarHBondContact O-N 2.8Å; I294-K296 PolarHBondContact O-N 3.05Å; I294-K296 VanDerWaalsContact O-N 3.07Å; I294-C297 WeakPolarHBondContact O-CB 3.43Å; I294-C297 PolarHBondContact O-N 2.69Å; I294-L300 HydrophobicContact CD1-CD1 4.16Å; I294-P314 HydrophobicContact CG2-CG 3.81Å
295	G	97.8	Very high	97.3	Very high	3 Å²	3	36.8 Å²	36.8	3%	0.031	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-65.2	-8.9	176.5	0	0	0	0	0	114.8	D292 S293 S316 N319	D292-G295 PolarHBondContact O-N 2.88Å; S293-G295 PolarHBondContact O-N 3.36Å; S293-G295 VanDerWaalsContact O-N 3.15Å; G295-S316 WeakPolarHBondContact CA-O 3.15Å; G295-N319 VanDerWaalsContact O-CB 3.3Å; G295-N319 WeakPolarHBondContact O-CB 3.26Å
296	K	98.1	Very high	97.3	Very high	138 Å²	138	37.9 Å²	37.9	60%	0.6	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	-82.3	-15.2	172.8	-63.1	179.8	179.9	178	0	113	G272 S293 I294 T298	G272-K296 WeakPolarHBondContact O-CB 3.36Å; S293-K296 VanDerWaalsContact O-CB 3.27Å; S293-K296 WeakPolarHBondContact O-CB 3.36Å; S293-K296 PolarHBondContact O-N 3.27Å; I294-K296 PolarHBondContact O-N 3.05Å; I294-K296 VanDerWaalsContact O-N 3.07Å; K296-T298 PolarHBondContact O-N 2.79Å
297	C	97.9	Very high	97.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.192	C	C	.	.			trans	-79.7	55.8	177.2	-61.9	0	0	0	0	111.3	I271 I294 S299 L300 L320	I271-C297 PolarHBondContact O-SG 3.04Å; I294-C297 WeakPolarHBondContact O-CB 3.43Å; I294-C297 PolarHBondContact O-N 2.69Å; C297-S299 PolarHBondContact O-N 3.45Å; C297-L300 HydrophobicContact CB-CD1 3.53Å; C297-L300 HydrophobicContact CB-CG 3.8Å; C297-L300 WeakPolarHBondContact O-CB 3.14Å; C297-L300 WeakPolarHBondContact O-CG 3.35Å; C297-L300 PolarHBondContact O-N 3.02Å; C297-L320 WeakPolarHBondContact O-CD2 3.45Å
298	T	97.3	Very high	97.4	Very high	66 Å²	66	38.8 Å²	38.8	41%	0.405	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-9.7	-169.9	58.2	0	0	0	0	114.9	K296 N322	K296-T298 PolarHBondContact O-N 2.79Å; T298-N322 PolarHBondContact O-ND2 2.99Å
299	S	98	Very high	97.5	Very high	44 Å²	44	40.4 Å²	40.4	31%	0.308	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-9.3	173.4	-57.5	0	0	0	0	113.5	T275 L277 C297 R301	T275-S299 VanDerWaalsContact O-CB 3.27Å; T275-S299 WeakPolarHBondContact O-CB 3.34Å; T275-S299 PolarHBondContact O-OG 3.26Å; L277-S299 CarbonylContact O-C 3.11Å; L277-S299 WeakPolarHBondContact O-CB 3.43Å; C297-S299 PolarHBondContact O-N 3.45Å; S299-R301 PolarHBondContact O-N 2.81Å
300	L	98.2	Very high	97.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.182	C	C	.	.			trans	-59.2	131.1	-178.3	-81.6	172.7	0	0	0	110.7	L277 L280 I294 C297 L320 N322 L323	L277-L300 HydrophobicContact CB-CD2 4.19Å; L277-L300 HydrophobicContact CD2-CD2 4.06Å; L277-L300 HydrophobicContact CG-CD2 3.9Å; L277-L300 VanDerWaalsContact O-CA 3.31Å; L277-L300 WeakPolarHBondContact O-CA 3.39Å; L277-L300 PolarHBondContact O-N 3.03Å; L280-L300 HydrophobicContact CB-CD2 3.89Å; I294-L300 HydrophobicContact CD1-CD1 4.16Å; C297-L300 HydrophobicContact CB-CD1 3.53Å; C297-L300 HydrophobicContact CB-CG 3.8Å; C297-L300 WeakPolarHBondContact O-CB 3.14Å; C297-L300 WeakPolarHBondContact O-CG 3.35Å; C297-L300 PolarHBondContact O-N 3.02Å; L300-L320 HydrophobicContact CB-CD1 4.46Å; L300-L320 HydrophobicContact CB-CD2 4.44Å; L300-L320 HydrophobicContact CD1-CD1 3.94Å; L300-L320 HydrophobicContact CD1-CD2 4.24Å; L300-N322 CarbonylContact O-C 3.39Å; L300-L323 HydrophobicContact CB-CD1 4.35Å; L300-L323 PolarHBondContact O-N 3.14Å
301	R	98.2	Very high	97.6	Very high	135 Å²	135	38.3 Å²	38.3	51%	0.509	19%	0.194	S	C	.	.			trans	-115.7	-30.8	173.4	-64.6	-172.4	179.6	-166.5	-1.4	111.9	V278 S299 C324 R325	V278-R301 HydrophobicContact CG1-CB 4.06Å; V278-R301 HydrophobicContact CG1-CG 4Å; V278-R301 PolarHBondContact O-N 3.27Å; S299-R301 PolarHBondContact O-N 2.81Å; R301-C324 PolarHBondContact O-N 3.44Å; R301-R325 PolarHBondContact O-N 3.44Å
302	D	98.2	Very high	97.6	Very high	16 Å²	16	42.7 Å²	42.7	9%	0.086	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	112.9	-175.9	-174.5	-2.6	0	0	0	109.7	V278 K279 L280 N304	V278-D302 PolarHBondContact O-N 2.79Å; V278-D302 VanDerWaalsContact O-N 3.09Å; K279-D302 WeakPolarHBondContact CA-O 3.36Å; K279-D302 HydrophobicContact CB-CB 4.28Å; K279-D302 VanDerWaalsContact CE-OD2 3.28Å; K279-D302 WeakPolarHBondContact CE-OD2 3.47Å; K279-D302 HydrophobicContact CG-CB 4.06Å; K279-D302 IonicContact NZ-OD2 2.78Å; L280-D302 PolarHBondContact N-O 2.97Å; D302-N304 VanDerWaalsContact OD1-CG 3.28Å; D302-N304 PolarHBondContact OD1-ND2 3.3Å; D302-N304 PolarHBondContact OD1-OD1 3.29Å
303	L	98.2	Very high	97.7	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	105.8	177.5	178.8	57.3	0	0	0	109.8	L280 L305 I317 L320 L323 R325 L326 S327	L280-L303 HydrophobicContact CB-CD1 3.98Å; L280-L303 HydrophobicContact CD2-CD1 3.89Å; L280-L303 HydrophobicContact CG-CD1 3.99Å; L280-L303 WeakPolarHBondContact O-CA 3.25Å; L303-L305 HydrophobicContact CD1-CD1 4.19Å; L303-L305 HydrophobicContact CD1-CD2 4.2Å; L303-L305 HydrophobicContact CD1-CG 4.04Å; L303-L305 HydrophobicContact CD2-CD1 3.9Å; L303-L305 HydrophobicContact CG-CD1 3.76Å; L303-L305 HydrophobicContact CG-CG 3.98Å; L303-I317 HydrophobicContact CD2-CD1 3.7Å; L303-L320 HydrophobicContact CD2-CD1 4.17Å; L303-L323 HydrophobicContact CB-CD1 3.81Å; L303-R325 PolarHBondContact N-O 3.22Å; L303-L326 HydrophobicContact CB-CD1 4.19Å; L303-L326 HydrophobicContact CD2-CD1 3.96Å; L303-L326 HydrophobicContact CG-CD1 4.07Å; L303-S327 PolarHBondContact O-N 3.38Å
304	N	98.3	Very high	97.7	Very high	16 Å²	16	37.3 Å²	37.3	9%	0.086	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	116.9	-178.3	-65.8	-49.5	0	0	0	111	L280 D281 L282 S283 D302 S327	L280-N304 PolarHBondContact O-N 2.94Å; D281-N304 HydrophobicContact CB-CB 4.08Å; D281-N304 WeakPolarHBondContact OD1-CB 3.33Å; L282-N304 CarbonylContact C-O 3.18Å; L282-N304 WeakPolarHBondContact CA-O 3.22Å; L282-N304 PolarHBondContact N-O 2.68Å; S283-N304 PolarHBondContact N-O 3.35Å; D302-N304 VanDerWaalsContact OD1-CG 3.28Å; D302-N304 PolarHBondContact OD1-ND2 3.3Å; D302-N304 PolarHBondContact OD1-OD1 3.29Å; N304-S327 VanDerWaalsContact OD1-CB 3.25Å; N304-S327 WeakPolarHBondContact OD1-CB 3.44Å; N304-S327 PolarHBondContact OD1-OG 2.78Å
305	L	97.8	Very high	97.7	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.211	C	C	.	.			trans	-131.6	5.3	-174.1	-64.7	165.5	0	0	0	112.1	L282 L290 L303 N308 L310 L313 L326 S327 I328 N331	L282-L305 HydrophobicContact CB-CD2 4.17Å; L282-L305 HydrophobicContact CD1-CD2 3.96Å; L290-L305 HydrophobicContact CD1-CD1 3.58Å; L290-L305 HydrophobicContact CD1-CD2 4.23Å; L290-L305 HydrophobicContact CD2-CD2 3.78Å; L303-L305 HydrophobicContact CD1-CD1 4.19Å; L303-L305 HydrophobicContact CD1-CD2 4.2Å; L303-L305 HydrophobicContact CD1-CG 4.04Å; L303-L305 HydrophobicContact CD2-CD1 3.9Å; L303-L305 HydrophobicContact CG-CD1 3.76Å; L303-L305 HydrophobicContact CG-CG 3.98Å; L305-N308 WeakPolarHBondContact O-CB 3.2Å; L305-N308 PolarHBondContact O-ND2 2.69Å; L305-L310 HydrophobicContact CB-CD1 3.9Å; L305-L310 HydrophobicContact CD1-CD1 4.08Å; L305-L310 HydrophobicContact CD2-CD1 4.3Å; L305-L310 HydrophobicContact CG-CD1 4.33Å; L305-L313 HydrophobicContact CD1-CD2 4.42Å; L305-L326 HydrophobicContact CD1-CD1 4.21Å; L305-S327 CarbonylContact C-O 3.27Å; L305-S327 VanDerWaalsContact C-O 3.3Å; L305-S327 VanDerWaalsContact CA-O 3.31Å; L305-S327 WeakPolarHBondContact CA-O 3.14Å; L305-S327 WeakPolarHBondContact CB-O 3.3Å; L305-S327 PolarHBondContact N-O 3.33Å; L305-I328 HydrophobicContact CB-CG2 4.17Å; L305-I328 HydrophobicContact CD1-CG2 4.04Å; L305-N331 PolarHBondContact O-ND2 3.09Å
306	Q	98	Very high	97.7	Very high	30 Å²	30	43.7 Å²	43.7	14%	0.14	22%	0.216	C	C	.	.			trans	-63	151.2	-177.4	69.5	-81.2	21.7	0	0	112.2	S283 F284 S327 K329	S283-Q306 CarbonylContact C-O 3.3Å; S283-Q306 WeakPolarHBondContact CA-O 3.4Å; S283-Q306 WeakPolarHBondContact CB-O 3.22Å; F284-Q306 PolarHBondContact N-O 2.8Å; Q306-S327 PolarHBondContact N-O 3.49Å; Q306-K329 CarbonylContact C-O 3.53Å; Q306-K329 WeakPolarHBondContact CA-O 3.33Å; Q306-K329 HydrophobicContact CB-CG 3.71Å; Q306-K329 VanDerWaalsContact CB-O 3.26Å; Q306-K329 WeakPolarHBondContact CB-O 3.32Å
307	H	98.1	Very high	97.7	Very high	61 Å²	61	37.1 Å²	37.1	28%	0.282	19%	0.187	S	C	.	.	S	Bend	trans	55.9	55.2	-175.4	-59.8	-81.2	0	0	0	112.2	F284 N285 K329 Y330	F284-H307 VanDerWaalsContact CA-O 3.23Å; F284-H307 WeakPolarHBondContact CA-O 3.16Å; F284-H307 HydrophobicContact CB-CB 4.47Å; F284-H307 HydrophobicContact CD1-CB 3.64Å; F284-H307 AromaticContact CD1-CD2 3.93Å; F284-H307 AromaticContact CD1-CG 3.77Å; F284-H307 HydrophobicContact CD2-CB 4.48Å; F284-H307 HydrophobicContact CE1-CB 3.92Å; F284-H307 AromaticContact CE1-CD2 3.29Å; F284-H307 WeakPolarHBondContact CE1-CD2 3.49Å; F284-H307 AromaticContact CE1-CG 3.48Å; F284-H307 VanDerWaalsContact CE1-CG 3.48Å; F284-H307 AromaticContact CE1-NE2 3.73Å; F284-H307 AromaticContact CE2-CD2 3.72Å; F284-H307 HydrophobicContact CG-CB 3.95Å; F284-H307 HydrophobicContact CZ-CB 4.44Å; F284-H307 AromaticContact CZ-CD2 3.16Å; F284-H307 WeakPolarHBondContact CZ-CD2 3.39Å; F284-H307 AromaticContact CZ-CG 3.86Å; F284-H307 AromaticContact CZ-NE2 3.58Å; F284-H307 PolarHBondContact N-O 3.45Å; N285-H307 PolarHBondContact N-O 2.82Å; H307-K329 PolarHBondContact N-O 2.95Å; H307-K329 VanDerWaalsContact N-O 3.09Å; H307-Y330 WeakPolarHBondContact CA-O 3.49Å; H307-Y330 AromaticContact CE1-CD1 3.6Å; H307-Y330 AromaticContact CE1-CD2 3.55Å; H307-Y330 AromaticContact CE1-CG 3.31Å; H307-Y330 PolarHBondContact N-O 3.07Å; H307-Y330 WeakPolarHBondContact ND1-CB 3.37Å; H307-Y330 AromaticContact ND1-CD1 3.92Å; H307-Y330 AromaticContact ND1-CG 3.59Å; H307-Y330 AromaticContact NE2-CD2 3.76Å; H307-Y330 AromaticContact NE2-CG 3.95Å
308	N	97.7	Very high	97.6	Very high	11 Å²	11	37.1 Å²	37.1	6%	0.059	19%	0.188	C	C	.	.	S	Bend	trans	-125.1	-165.1	169.6	-84.8	-75.9	0	0	0	109.6	L282 N285 H286 I287 L305 L310 Y330 N331	L282-N308 PolarHBondContact O-ND2 2.8Å; N285-N308 WeakPolarHBondContact CA-OD1 3.14Å; N285-N308 WeakPolarHBondContact CB-OD1 3.32Å; N285-N308 PolarHBondContact N-OD1 2.61Å; N285-N308 PolarHBondContact O-OD1 2.93Å; H286-N308 PolarHBondContact N-OD1 3.2Å; I287-N308 HydrophobicContact CB-CB 4.43Å; I287-N308 WeakPolarHBondContact CB-OD1 3.29Å; I287-N308 WeakPolarHBondContact CG1-OD1 3.47Å; I287-N308 PolarHBondContact N-OD1 3.45Å; L305-N308 WeakPolarHBondContact O-CB 3.2Å; L305-N308 PolarHBondContact O-ND2 2.69Å; N308-L310 HydrophobicContact CB-CG 4.3Å; N308-Y330 PolarHBondContact N-O 3.44Å; N308-N331 WeakPolarHBondContact CA-OD1 3.4Å; N308-N331 WeakPolarHBondContact CB-OD1 3.41Å; N308-N331 PolarHBondContact O-OD1 2.88Å
309	Q	96.9	Very high	97.7	Very high	75 Å²	75	38.3 Å²	38.3	35%	0.35	19%	0.191	S	C	.	.			trans	-121.9	31	-179.9	-62.1	174.5	4.3	0	0	110.4	I287 T288 T311 N331	I287-Q309 CarbonylContact O-C 3.26Å; I287-Q309 WeakPolarHBondContact O-CA 3.38Å; I287-Q309 PolarHBondContact O-N 2.91Å; T288-Q309 HydrophobicContact CG2-CB 4.15Å; Q309-T311 PolarHBondContact O-N 3.25Å; Q309-N331 PolarHBondContact N-OD1 3.49Å
310	L	97	Very high	97.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.176	C	C	.	.			trans	-64.3	124.6	-176.8	-66.8	172	0	0	0	110	I287 T288 L290 L305 N308 L313 N331 Q332 L333	I287-L310 HydrophobicContact CG2-CD2 3.85Å; I287-L310 PolarHBondContact O-N 3.48Å; T288-L310 WeakPolarHBondContact O-CA 3.45Å; L290-L310 HydrophobicContact CD2-CD2 4.32Å; L290-L310 HydrophobicContact CG-CD2 3.99Å; L305-L310 HydrophobicContact CB-CD1 3.9Å; L305-L310 HydrophobicContact CD1-CD1 4.08Å; L305-L310 HydrophobicContact CD2-CD1 4.3Å; L305-L310 HydrophobicContact CG-CD1 4.33Å; N308-L310 HydrophobicContact CB-CG 4.3Å; L310-L313 HydrophobicContact CD1-CD2 4.15Å; L310-N331 HydrophobicContact CB-CB 4.24Å; L310-N331 VanDerWaalsContact CB-OD1 3.32Å; L310-N331 WeakPolarHBondContact CB-OD1 3.29Å; L310-N331 WeakPolarHBondContact CG-OD1 3.46Å; L310-N331 PolarHBondContact N-OD1 3.27Å; L310-Q332 CarbonylContact O-C 3.12Å; L310-Q332 VanDerWaalsContact O-CA 3.27Å; L310-Q332 WeakPolarHBondContact O-CA 3.49Å; L310-Q332 PolarHBondContact O-N 3.33Å; L310-L333 HydrophobicContact CB-CD2 3.97Å; L310-L333 PolarHBondContact O-N 3.44Å; L310-L333 VanDerWaalsContact O-N 3.13Å
311	T	96.1	Very high	97.6	Very high	50 Å²	50	39.7 Å²	39.7	31%	0.307	20%	0.198	S	C	.	.	S	Bend	trans	-93.3	-24.8	176.9	56	0	0	0	0	112.8	T288 F289 Q309 Q332 V334	T288-T311 PolarHBondContact O-N 3.09Å; F289-T311 WeakPolarHBondContact CE1-OG1 3.06Å; Q309-T311 PolarHBondContact O-N 3.25Å; T311-Q332 WeakPolarHBondContact CA-O 3.3Å; T311-Q332 HydrophobicContact CG2-CB 4.37Å; T311-V334 PolarHBondContact O-N 3.47Å
312	K	96.8	Very high	97.6	Very high	115 Å²	115	35.6 Å²	35.6	50%	0.5	19%	0.186	S	C	.	.			trans	-151.2	156.7	176.5	62.5	178.6	-176.6	173.7	0	111.3	F289	F289-K312 HydrophobicContact CD1-CD 4.42Å; F289-K312 HydrophobicContact CD1-CG 3.98Å; F289-K312 HydrophobicContact CE1-CD 4.42Å; F289-K312 HydrophobicContact CE1-CG 4.17Å
313	L	97.5	Very high	97.5	Very high	10 Å²	10	34.8 Å²	34.8	5%	0.052	18%	0.182	C	C	.	.			trans	-101.5	142.9	164.8	-61.6	175.2	0	0	0	109.2	L290 L305 L310 I328 L333 P337	L290-L313 HydrophobicContact CD1-CD2 3.99Å; L305-L313 HydrophobicContact CD1-CD2 4.42Å; L310-L313 HydrophobicContact CD1-CD2 4.15Å; L313-I328 HydrophobicContact CD1-CD1 3.98Å; L313-I328 HydrophobicContact CD1-CG2 4.37Å; L313-I328 HydrophobicContact CD2-CG2 4.4Å; L313-L333 HydrophobicContact CD1-CD1 4.31Å; L313-L333 HydrophobicContact CD2-CD2 4.32Å; L313-L333 HydrophobicContact CG-CD1 4.31Å; L313-L333 HydrophobicContact CG-CD2 3.95Å; L313-P337 HydrophobicContact CB-CG 3.97Å
314	P	97.3	Very high	97.4	Very high	10 Å²	10	36.7 Å²	36.7	7%	0.065	19%	0.194	C	C	.	.			trans	-71.4	145.1	177.3	30.1	-35.2	0	0	0	110.9	L290 D292 I294 S316 I317	L290-P314 HydrophobicContact CB-CG 4.07Å; D292-P314 WeakPolarHBondContact OD1-CB 3.32Å; I294-P314 HydrophobicContact CG2-CG 3.81Å; P314-S316 PolarHBondContact O-N 3.25Å; P314-I317 VanDerWaalsContact O-CB 3.26Å; P314-I317 WeakPolarHBondContact O-CB 3.43Å; P314-I317 VanDerWaalsContact O-CG2 3.25Å; P314-I317 WeakPolarHBondContact O-CG2 3.37Å; P314-I317 PolarHBondContact O-N 3.11Å
315	D	97.7	Very high	97.3	Very high	121 Å²	121	42.3 Å²	42.3	65%	0.647	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-56.8	-27.4	177.7	-74.7	-27.6	0	0	0	112.6	I317 G318 P337 S339	D315-I317 PolarHBondContact O-N 2.8Å; D315-I317 VanDerWaalsContact O-N 3.08Å; D315-G318 PolarHBondContact O-N 2.99Å; D315-P337 WeakPolarHBondContact OD1-CB 3.42Å; D315-S339 VanDerWaalsContact O-CB 3.27Å; D315-S339 WeakPolarHBondContact O-CB 3.31Å; D315-S339 PolarHBondContact O-OG 3.05Å
316	S	97.9	Very high	97.3	Very high	18 Å²	18	42.9 Å²	42.9	13%	0.126	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-61	-14.7	175	66.2	0	0	0	0	114	D292 G295 P314 G318 N319	D292-S316 WeakPolarHBondContact CA-OG 3.2Å; D292-S316 WeakPolarHBondContact O-CB 3.5Å; D292-S316 PolarHBondContact O-OG 3.03Å; G295-S316 WeakPolarHBondContact CA-O 3.15Å; P314-S316 PolarHBondContact O-N 3.25Å; S316-G318 PolarHBondContact O-N 2.94Å; S316-N319 VanDerWaalsContact O-CB 3.27Å; S316-N319 WeakPolarHBondContact O-CB 3.29Å; S316-N319 PolarHBondContact O-N 3.44Å
317	I	97.8	Very high	97.3	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-57.2	-32.7	176.8	-159.9	73.3	0	0	0	111.5	L303 P314 D315 N319 L320 P337 L340	L303-I317 HydrophobicContact CD2-CD1 3.7Å; P314-I317 VanDerWaalsContact O-CB 3.26Å; P314-I317 WeakPolarHBondContact O-CB 3.43Å; P314-I317 VanDerWaalsContact O-CG2 3.25Å; P314-I317 WeakPolarHBondContact O-CG2 3.37Å; P314-I317 PolarHBondContact O-N 3.11Å; D315-I317 PolarHBondContact O-N 2.8Å; D315-I317 VanDerWaalsContact O-N 3.08Å; I317-N319 PolarHBondContact O-N 3.46Å; I317-N319 VanDerWaalsContact O-N 3.17Å; I317-L320 HydrophobicContact CD1-CD1 3.77Å; I317-L320 HydrophobicContact CG1-CD1 4.49Å; I317-L320 WeakPolarHBondContact O-CB 3.43Å; I317-L320 WeakPolarHBondContact O-CG 3.41Å; I317-L320 PolarHBondContact O-N 2.94Å; I317-L320 VanDerWaalsContact O-N 3.14Å; I317-P337 HydrophobicContact CG2-CG 3.56Å; I317-L340 HydrophobicContact CG2-CD1 4.35Å
318	G	97.5	Very high	97.3	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.01	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-66.3	-11.1	175.5	0	0	0	0	0	114.9	D315 S316 L320 S339 N342	D315-G318 PolarHBondContact O-N 2.99Å; S316-G318 PolarHBondContact O-N 2.94Å; G318-L320 VanDerWaalsContact C-N 3.26Å; G318-S339 WeakPolarHBondContact CA-O 3.28Å; G318-N342 WeakPolarHBondContact O-CB 3.24Å
319	N	98.2	Very high	97.3	Very high	90 Å²	90	41.6 Å²	41.6	48%	0.481	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-78.4	-12.6	174.4	-62.9	-20.6	0	0	0	112.4	G295 S316 I317 V321	G295-N319 VanDerWaalsContact O-CB 3.3Å; G295-N319 WeakPolarHBondContact O-CB 3.26Å; S316-N319 VanDerWaalsContact O-CB 3.27Å; S316-N319 WeakPolarHBondContact O-CB 3.29Å; S316-N319 PolarHBondContact O-N 3.44Å; I317-N319 PolarHBondContact O-N 3.46Å; I317-N319 VanDerWaalsContact O-N 3.17Å; N319-V321 PolarHBondContact O-N 3.48Å
320	L	98	Very high	97.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.207	C	C	.	.			trans	-79.8	58.7	180	-54.6	-175.2	0	0	0	111.3	C297 L300 L303 I317 G318 N322 L323	C297-L320 WeakPolarHBondContact O-CD2 3.45Å; L300-L320 HydrophobicContact CB-CD1 4.46Å; L300-L320 HydrophobicContact CB-CD2 4.44Å; L300-L320 HydrophobicContact CD1-CD1 3.94Å; L300-L320 HydrophobicContact CD1-CD2 4.24Å; L303-L320 HydrophobicContact CD2-CD1 4.17Å; I317-L320 HydrophobicContact CD1-CD1 3.77Å; I317-L320 HydrophobicContact CG1-CD1 4.49Å; I317-L320 WeakPolarHBondContact O-CB 3.43Å; I317-L320 WeakPolarHBondContact O-CG 3.41Å; I317-L320 PolarHBondContact O-N 2.94Å; I317-L320 VanDerWaalsContact O-N 3.14Å; G318-L320 VanDerWaalsContact C-N 3.26Å; L320-N322 PolarHBondContact O-N 3.31Å; L320-L323 HydrophobicContact CB-CB 4.08Å; L320-L323 HydrophobicContact CB-CD2 4.42Å; L320-L323 HydrophobicContact CD1-CD2 4.42Å; L320-L323 WeakPolarHBondContact O-CB 3.07Å; L320-L323 PolarHBondContact O-N 3.16Å
321	V	96.6	Very high	97.4	Very high	73 Å²	73	41 Å²	41	44%	0.442	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-9.5	-174.4	-60.3	0	0	0	0	115	N319	N319-V321 PolarHBondContact O-N 3.48Å
322	N	97.1	Very high	97.5	Very high	49 Å²	49	42.4 Å²	42.4	26%	0.262	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-0.9	174.5	-71	-54.2	0	0	0	113.9	T298 L300 L320 C324 K345	T298-N322 PolarHBondContact O-ND2 2.99Å; L300-N322 CarbonylContact O-C 3.39Å; L320-N322 PolarHBondContact O-N 3.31Å; N322-C324 PolarHBondContact O-N 3.18Å; N322-K345 PolarHBondContact OD1-NZ 2.86Å
323	L	97.3	Very high	97.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.189	C	C	.	.			trans	-66.4	117.5	-175.8	-161.5	68.7	0	0	0	110.4	L300 L303 L320 R325 L326 C343 K345 L346	L300-L323 HydrophobicContact CB-CD1 4.35Å; L300-L323 PolarHBondContact O-N 3.14Å; L303-L323 HydrophobicContact CB-CD1 3.81Å; L320-L323 HydrophobicContact CB-CB 4.08Å; L320-L323 HydrophobicContact CB-CD2 4.42Å; L320-L323 HydrophobicContact CD1-CD2 4.42Å; L320-L323 WeakPolarHBondContact O-CB 3.07Å; L320-L323 PolarHBondContact O-N 3.16Å; L323-R325 WeakPolarHBondContact CD1-O 3.48Å; L323-L326 HydrophobicContact CD2-CB 3.87Å; L323-L326 HydrophobicContact CD2-CD1 4.29Å; L323-L326 HydrophobicContact CD2-CD2 4.29Å; L323-L326 HydrophobicContact CD2-CG 4.37Å; L323-C343 HydrophobicContact CB-CB 4.47Å; L323-K345 CarbonylContact O-C 3.54Å; L323-K345 WeakPolarHBondContact O-CB 3.29Å; L323-L346 HydrophobicContact CD2-CD2 4.32Å; L323-L346 HydrophobicContact CG-CD2 4.18Å; L323-L346 PolarHBondContact O-N 3.08Å
324	C	96.1	Very high	97.6	Very high	40 Å²	40	40.3 Å²	40.3	27%	0.27	21%	0.21	S	C	.	.			trans	-98.7	-32.6	176	-67.7	0	0	0	0	111.3	R301 N322 L346 D347	R301-C324 PolarHBondContact O-N 3.44Å; N322-C324 PolarHBondContact O-N 3.18Å; C324-L346 WeakPolarHBondContact O-CA 3.24Å; C324-D347 PolarHBondContact O-N 3Å
325	R	96.7	Very high	97.6	Very high	134 Å²	134	46.1 Å²	46.1	51%	0.506	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	128.3	-179.6	-62.2	-177.9	-171.3	131.2	1.2	110.9	R301 L303 L323	R301-R325 PolarHBondContact O-N 3.44Å; L303-R325 PolarHBondContact N-O 3.22Å; L323-R325 WeakPolarHBondContact CD1-O 3.48Å
326	L	97.4	Very high	97.6	Very high	12 Å²	12	40.6 Å²	40.6	6%	0.063	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	102.7	173.5	177.5	59.1	0	0	0	109	L303 L305 L323 I328 L340 L346	L303-L326 HydrophobicContact CB-CD1 4.19Å; L303-L326 HydrophobicContact CD2-CD1 3.96Å; L303-L326 HydrophobicContact CG-CD1 4.07Å; L305-L326 HydrophobicContact CD1-CD1 4.21Å; L323-L326 HydrophobicContact CD2-CB 3.87Å; L323-L326 HydrophobicContact CD2-CD1 4.29Å; L323-L326 HydrophobicContact CD2-CD2 4.29Å; L323-L326 HydrophobicContact CD2-CG 4.37Å; L326-I328 HydrophobicContact CD1-CG2 3.7Å; L326-I328 HydrophobicContact CD2-CD1 4.29Å; L326-I328 HydrophobicContact CD2-CG2 4.46Å; L326-I328 HydrophobicContact CG-CD1 4.45Å; L326-I328 HydrophobicContact CG-CG1 4.46Å; L326-I328 HydrophobicContact CG-CG2 3.86Å; L326-L340 HydrophobicContact CD2-CD1 3.61Å; L326-L340 HydrophobicContact CD2-CD2 4.12Å; L326-L346 HydrophobicContact CB-CD2 3.83Å
327	S	97.5	Very high	97.6	Very high	34 Å²	34	40.1 Å²	40.1	24%	0.238	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	104	-179.3	-56.8	0	0	0	0	110	L303 N304 L305 Q306	L303-S327 PolarHBondContact O-N 3.38Å; N304-S327 VanDerWaalsContact OD1-CB 3.25Å; N304-S327 WeakPolarHBondContact OD1-CB 3.44Å; N304-S327 PolarHBondContact OD1-OG 2.78Å; L305-S327 CarbonylContact C-O 3.27Å; L305-S327 VanDerWaalsContact C-O 3.3Å; L305-S327 VanDerWaalsContact CA-O 3.31Å; L305-S327 WeakPolarHBondContact CA-O 3.14Å; L305-S327 WeakPolarHBondContact CB-O 3.3Å; L305-S327 PolarHBondContact N-O 3.33Å; Q306-S327 PolarHBondContact N-O 3.49Å
328	I	97.9	Very high	97.5	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.01	23%	0.229	C	C	.	.			trans	-124	8.8	-176.1	53.2	174.7	0	0	0	113.8	L305 L313 L326 N331 L333 I336 V351 N354	L305-I328 HydrophobicContact CB-CG2 4.17Å; L305-I328 HydrophobicContact CD1-CG2 4.04Å; L313-I328 HydrophobicContact CD1-CD1 3.98Å; L313-I328 HydrophobicContact CD1-CG2 4.37Å; L313-I328 HydrophobicContact CD2-CG2 4.4Å; L326-I328 HydrophobicContact CD1-CG2 3.7Å; L326-I328 HydrophobicContact CD2-CD1 4.29Å; L326-I328 HydrophobicContact CD2-CG2 4.46Å; L326-I328 HydrophobicContact CG-CD1 4.45Å; L326-I328 HydrophobicContact CG-CG1 4.46Å; L326-I328 HydrophobicContact CG-CG2 3.86Å; I328-N331 PolarHBondContact O-ND2 3.2Å; I328-L333 HydrophobicContact CB-CD1 4.1Å; I328-L333 HydrophobicContact CD1-CD1 3.99Å; I328-L333 HydrophobicContact CG1-CD1 4.44Å; I328-I336 HydrophobicContact CD1-CD1 3.98Å; I328-V351 HydrophobicContact CD1-CG1 3.65Å; I328-V351 HydrophobicContact CG1-CG1 3.99Å; I328-N354 PolarHBondContact O-ND2 3.26Å; I328-N354 VanDerWaalsContact O-ND2 3.16Å
329	K	97.9	Very high	97.5	Very high	39 Å²	39	44.4 Å²	44.4	17%	0.17	24%	0.237	C	C	.	.			trans	-59	152.3	173	61.9	175	-168.3	-176	0	112.8	D46 Q306 H307 N331 E352	D46-K329 IonicContact OD2-NZ 3.6Å; D46-K329 PolarHBondContact OD2-NZ 2.77Å; Q306-K329 CarbonylContact C-O 3.53Å; Q306-K329 WeakPolarHBondContact CA-O 3.33Å; Q306-K329 HydrophobicContact CB-CG 3.71Å; Q306-K329 VanDerWaalsContact CB-O 3.26Å; Q306-K329 WeakPolarHBondContact CB-O 3.32Å; H307-K329 PolarHBondContact N-O 2.95Å; H307-K329 VanDerWaalsContact N-O 3.09Å; K329-N331 PolarHBondContact O-ND2 3.34Å; K329-E352 CarbonylContact C-O 3.12Å; K329-E352 VanDerWaalsContact CA-O 3.25Å; K329-E352 WeakPolarHBondContact CA-O 3.16Å; K329-E352 HydrophobicContact CB-CB 4.03Å; K329-E352 WeakPolarHBondContact CB-O 3.29Å
330	Y	98.4	Very high	97.5	Very high	53 Å²	53	40.1 Å²	40.1	21%	0.208	21%	0.214	C	C	.	.	S	Bend	trans	57.6	60.4	-179.2	-60.5	-97.7	0	0	0	112	H307 N308 E352 N353	H307-Y330 WeakPolarHBondContact CA-O 3.49Å; H307-Y330 AromaticContact CE1-CD1 3.6Å; H307-Y330 AromaticContact CE1-CD2 3.55Å; H307-Y330 AromaticContact CE1-CG 3.31Å; H307-Y330 PolarHBondContact N-O 3.07Å; H307-Y330 WeakPolarHBondContact ND1-CB 3.37Å; H307-Y330 AromaticContact ND1-CD1 3.92Å; H307-Y330 AromaticContact ND1-CG 3.59Å; H307-Y330 AromaticContact NE2-CD2 3.76Å; H307-Y330 AromaticContact NE2-CG 3.95Å; N308-Y330 PolarHBondContact N-O 3.44Å; Y330-E352 HydrophobicContact CE2-CG 4.35Å; Y330-E352 PolarHBondContact N-O 3.12Å; Y330-E352 PolarHBondContact OH-OE1 3.05Å; Y330-N353 VanDerWaalsContact CA-O 3.3Å; Y330-N353 WeakPolarHBondContact CA-O 3.23Å; Y330-N353 HydrophobicContact CD1-CB 3.83Å; Y330-N353 WeakPolarHBondContact CD1-ND2 3.44Å; Y330-N353 HydrophobicContact CE1-CB 4Å; Y330-N353 WeakPolarHBondContact CE1-ND2 3.2Å; Y330-N353 HydrophobicContact CG-CB 4.12Å; Y330-N353 PolarHBondContact N-O 2.96Å
331	N	98.3	Very high	97.3	Very high	11 Å²	11	40.9 Å²	40.9	6%	0.059	22%	0.221	C	C	.	.	S	Bend	trans	-132.5	-165.4	174.1	-86.1	-74.2	0	0	0	109.8	L305 N308 Q309 L310 I328 K329 L333 N353 N354	L305-N331 PolarHBondContact O-ND2 3.09Å; N308-N331 WeakPolarHBondContact CA-OD1 3.4Å; N308-N331 WeakPolarHBondContact CB-OD1 3.41Å; N308-N331 PolarHBondContact O-OD1 2.88Å; Q309-N331 PolarHBondContact N-OD1 3.49Å; L310-N331 HydrophobicContact CB-CB 4.24Å; L310-N331 VanDerWaalsContact CB-OD1 3.32Å; L310-N331 WeakPolarHBondContact CB-OD1 3.29Å; L310-N331 WeakPolarHBondContact CG-OD1 3.46Å; L310-N331 PolarHBondContact N-OD1 3.27Å; I328-N331 PolarHBondContact O-ND2 3.2Å; K329-N331 PolarHBondContact O-ND2 3.34Å; N331-L333 HydrophobicContact CB-CG 4.16Å; N331-N353 PolarHBondContact N-O 3.14Å; N331-N353 VanDerWaalsContact N-O 3.14Å; N331-N353 VanDerWaalsContact O-O 3.12Å; N331-N354 WeakPolarHBondContact CA-OD1 3.28Å; N331-N354 WeakPolarHBondContact CB-OD1 3.08Å; N331-N354 PolarHBondContact O-OD1 2.86Å
332	Q	98	Very high	97.4	Very high	78 Å²	78	41.8 Å²	41.8	36%	0.364	22%	0.223	S	C	.	.			trans	-121.4	30.9	179.1	-60.1	177.4	9.4	0	0	110.7	L310 T311 V334 N354	L310-Q332 CarbonylContact O-C 3.12Å; L310-Q332 VanDerWaalsContact O-CA 3.27Å; L310-Q332 WeakPolarHBondContact O-CA 3.49Å; L310-Q332 PolarHBondContact O-N 3.33Å; T311-Q332 WeakPolarHBondContact CA-O 3.3Å; T311-Q332 HydrophobicContact CG2-CB 4.37Å; Q332-V334 PolarHBondContact O-N 3.2Å; Q332-N354 PolarHBondContact N-OD1 3.35Å
333	L	98.3	Very high	97.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.21	C	C	.	.			trans	-66.5	125.3	-174.9	-62.5	172.6	0	0	0	110.1	L310 L313 I328 N331 I336 N354 Q355 L356	L310-L333 HydrophobicContact CB-CD2 3.97Å; L310-L333 PolarHBondContact O-N 3.44Å; L310-L333 VanDerWaalsContact O-N 3.13Å; L313-L333 HydrophobicContact CD1-CD1 4.31Å; L313-L333 HydrophobicContact CD2-CD2 4.32Å; L313-L333 HydrophobicContact CG-CD1 4.31Å; L313-L333 HydrophobicContact CG-CD2 3.95Å; I328-L333 HydrophobicContact CB-CD1 4.1Å; I328-L333 HydrophobicContact CD1-CD1 3.99Å; I328-L333 HydrophobicContact CG1-CD1 4.44Å; N331-L333 HydrophobicContact CB-CG 4.16Å; L333-I336 HydrophobicContact CD1-CD1 4.02Å; L333-N354 HydrophobicContact CB-CB 4.27Å; L333-N354 VanDerWaalsContact CB-OD1 3.27Å; L333-N354 WeakPolarHBondContact CB-OD1 3.21Å; L333-N354 WeakPolarHBondContact CG-OD1 3.39Å; L333-N354 PolarHBondContact N-OD1 2.91Å; L333-Q355 CarbonylContact O-C 3.21Å; L333-Q355 VanDerWaalsContact O-CA 3.29Å; L333-Q355 WeakPolarHBondContact O-CA 3.41Å; L333-Q355 WeakPolarHBondContact O-CB 3.29Å; L333-Q355 PolarHBondContact O-N 3.42Å; L333-L356 HydrophobicContact CB-CD2 4.23Å; L333-L356 WeakPolarHBondContact O-CD2 3.11Å; L333-L356 PolarHBondContact O-N 3.37Å
334	V	97.7	Very high	97.2	Very high	81 Å²	81	42 Å²	42	49%	0.491	23%	0.226	S	C	.	.	S	Bend	trans	-92.2	-26	176.4	-176.3	0	0	0	0	111.5	T311 Q332 Q355	T311-V334 PolarHBondContact O-N 3.47Å; Q332-V334 PolarHBondContact O-N 3.2Å; V334-Q355 HydrophobicContact CG2-CB 4.29Å
335	E	97.2	Very high	97.2	Very high	132 Å²	132	44.4 Å²	44.4	62%	0.617	23%	0.232	S	C	*	.			trans	-146.2	160.9	177	66	-176.4	-175.5	0	0	111.6
336	I	97.8	Very high	97.1	Very high	5 Å²	5	38 Å²	38	3%	0.026	21%	0.208	C	C	.	.			trans	-109.6	132.2	170.1	-60.1	-59.8	0	0	0	107.6	I328 L333 L340 F349 V351 L356 L359 P360 L363	I328-I336 HydrophobicContact CD1-CD1 3.98Å; L333-I336 HydrophobicContact CD1-CD1 4.02Å; I336-L340 HydrophobicContact CG2-CB 4.25Å; I336-L340 HydrophobicContact CG2-CD2 3.54Å; I336-F349 HydrophobicContact CG1-CZ 4.43Å; I336-V351 HydrophobicContact CD1-CG1 4.09Å; I336-L356 HydrophobicContact CD1-CD1 4.12Å; I336-L356 HydrophobicContact CD1-CD2 4.19Å; I336-L356 HydrophobicContact CG1-CD1 3.95Å; I336-L356 HydrophobicContact CG1-CD2 3.95Å; I336-L359 HydrophobicContact CG1-CD2 4Å; I336-P360 HydrophobicContact CB-CG 4.45Å; I336-P360 WeakPolarHBondContact O-CG 3.43Å; I336-L363 HydrophobicContact CB-CD2 4.46Å; I336-L363 HydrophobicContact CG2-CD2 3.78Å
337	P	97.2	Very high	96.7	Very high	8 Å²	8	40.5 Å²	40.5	5%	0.052	22%	0.221	C	C	.	.			trans	-68.6	136.2	179.3	27.2	-34.6	0	0	0	111.1	L313 D315 I317 S339 L340	L313-P337 HydrophobicContact CB-CG 3.97Å; D315-P337 WeakPolarHBondContact OD1-CB 3.42Å; I317-P337 HydrophobicContact CG2-CG 3.56Å; P337-S339 PolarHBondContact O-N 3.24Å; P337-S339 VanDerWaalsContact O-N 3.11Å; P337-L340 VanDerWaalsContact O-CB 3.3Å; P337-L340 WeakPolarHBondContact O-CB 3.3Å; P337-L340 PolarHBondContact O-N 3Å
338	A	96.7	Very high	96.5	Very high	65 Å²	65	43.1 Å²	43.1	54%	0.537	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-58.8	-26.3	180	0	0	0	0	0	113.2	L340 A341 P360	A338-L340 PolarHBondContact O-N 2.74Å; A338-A341 WeakPolarHBondContact O-CB 3.2Å; A338-A341 PolarHBondContact O-N 2.86Å; A338-P360 HydrophobicContact CB-CB 3.95Å; A338-P360 HydrophobicContact CB-CG 4.37Å
339	S	97.3	Very high	96.4	Very high	27 Å²	27	43.2 Å²	43.2	19%	0.189	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-62.6	-19.8	176.5	65.9	0	0	0	0	113.5	D315 G318 P337 A341 N342	D315-S339 VanDerWaalsContact O-CB 3.27Å; D315-S339 WeakPolarHBondContact O-CB 3.31Å; D315-S339 PolarHBondContact O-OG 3.05Å; G318-S339 WeakPolarHBondContact CA-O 3.28Å; P337-S339 PolarHBondContact O-N 3.24Å; P337-S339 VanDerWaalsContact O-N 3.11Å; S339-A341 PolarHBondContact O-N 2.99Å; S339-A341 VanDerWaalsContact O-N 3.12Å; S339-N342 VanDerWaalsContact O-CB 3.3Å; S339-N342 WeakPolarHBondContact O-CB 3.49Å; S339-N342 PolarHBondContact O-N 3.49Å; S339-N342 PolarHBondContact O-ND2 3.29Å
340	L	97.2	Very high	96.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-59.7	-22.9	176.1	-172.3	63.2	0	0	0	112.3	I317 L326 I336 P337 A338 N342 C343 L346 F349 L363	I317-L340 HydrophobicContact CG2-CD1 4.35Å; L326-L340 HydrophobicContact CD2-CD1 3.61Å; L326-L340 HydrophobicContact CD2-CD2 4.12Å; I336-L340 HydrophobicContact CG2-CB 4.25Å; I336-L340 HydrophobicContact CG2-CD2 3.54Å; P337-L340 VanDerWaalsContact O-CB 3.3Å; P337-L340 WeakPolarHBondContact O-CB 3.3Å; P337-L340 PolarHBondContact O-N 3Å; A338-L340 PolarHBondContact O-N 2.74Å; L340-N342 PolarHBondContact O-N 3.28Å; L340-N342 VanDerWaalsContact O-N 3.08Å; L340-C343 HydrophobicContact CD1-CB 4.22Å; L340-C343 WeakPolarHBondContact O-CB 3.36Å; L340-C343 PolarHBondContact O-N 3.37Å; L340-L346 HydrophobicContact CD1-CD1 4.14Å; L340-L346 HydrophobicContact CG-CD1 4.44Å; L340-F349 HydrophobicContact CD2-CE2 3.89Å; L340-L363 HydrophobicContact CB-CD1 3.95Å; L340-L363 HydrophobicContact CD2-CD1 4.46Å; L340-L363 HydrophobicContact CG-CD1 4.25Å
341	A	95.6	Very high	96.4	Very high	16 Å²	16	39.7 Å²	39.7	13%	0.132	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-57.5	-20.5	172.7	0	0	0	0	0	113.6	A338 S339 C343 L363 C366	A338-A341 WeakPolarHBondContact O-CB 3.2Å; A338-A341 PolarHBondContact O-N 2.86Å; S339-A341 PolarHBondContact O-N 2.99Å; S339-A341 VanDerWaalsContact O-N 3.12Å; A341-C343 VanDerWaalsContact C-N 3.31Å; A341-L363 HydrophobicContact CB-CD1 4.11Å; A341-C366 HydrophobicContact CB-CB 3.88Å
342	N	96.9	Very high	96.4	Very high	91 Å²	91	40.8 Å²	40.8	49%	0.487	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-75.7	-16.4	176	-65.3	-24.5	0	0	0	113.4	G318 S339 L340 V344	G318-N342 WeakPolarHBondContact O-CB 3.24Å; S339-N342 VanDerWaalsContact O-CB 3.3Å; S339-N342 WeakPolarHBondContact O-CB 3.49Å; S339-N342 PolarHBondContact O-N 3.49Å; S339-N342 PolarHBondContact O-ND2 3.29Å; L340-N342 PolarHBondContact O-N 3.28Å; L340-N342 VanDerWaalsContact O-N 3.08Å; N342-V344 PolarHBondContact O-N 3.19Å
343	C	96.4	Very high	96.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.222	C	C	.	.			trans	-82.9	56.6	179.9	-62.6	0	0	0	0	111.2	L323 L340 A341 K345 L346 L367	L323-C343 HydrophobicContact CB-CB 4.47Å; L340-C343 HydrophobicContact CD1-CB 4.22Å; L340-C343 WeakPolarHBondContact O-CB 3.36Å; L340-C343 PolarHBondContact O-N 3.37Å; A341-C343 VanDerWaalsContact C-N 3.31Å; C343-K345 PolarHBondContact O-N 3.47Å; C343-L346 HydrophobicContact CB-CD1 3.77Å; C343-L346 HydrophobicContact CB-CG 4.02Å; C343-L346 VanDerWaalsContact O-CG 3.3Å; C343-L346 WeakPolarHBondContact O-CG 3.25Å; C343-L346 PolarHBondContact O-N 2.82Å; C343-L346 VanDerWaalsContact O-N 3.1Å; C343-L367 WeakPolarHBondContact O-CD2 3.37Å
344	V	95.2	Very high	96.4	Very high	55 Å²	55	40.7 Å²	40.7	33%	0.333	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-9	-169.3	-58.3	0	0	0	0	115.4	N342 N369	N342-V344 PolarHBondContact O-N 3.19Å; V344-N369 PolarHBondContact O-ND2 3Å
345	K	95.4	Very high	96.4	Very high	89 Å²	89	40.5 Å²	40.5	39%	0.387	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-2.5	178.4	-62.9	-176.5	-172.7	176.7	0	113.6	N322 L323 C343 D347	N322-K345 PolarHBondContact OD1-NZ 2.86Å; L323-K345 CarbonylContact O-C 3.54Å; L323-K345 WeakPolarHBondContact O-CB 3.29Å; C343-K345 PolarHBondContact O-N 3.47Å; K345-D347 PolarHBondContact O-N 3.49Å
346	L	94.9	Very high	96.5	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	19%	0.188	C	C	.	.			trans	-62.1	127.4	174.9	-69.9	172.2	0	0	0	110.4	L323 C324 L326 L340 C343 L367 N369 L370	L323-L346 HydrophobicContact CD2-CD2 4.32Å; L323-L346 HydrophobicContact CG-CD2 4.18Å; L323-L346 PolarHBondContact O-N 3.08Å; C324-L346 WeakPolarHBondContact O-CA 3.24Å; L326-L346 HydrophobicContact CB-CD2 3.83Å; L340-L346 HydrophobicContact CD1-CD1 4.14Å; L340-L346 HydrophobicContact CG-CD1 4.44Å; C343-L346 HydrophobicContact CB-CD1 3.77Å; C343-L346 HydrophobicContact CB-CG 4.02Å; C343-L346 VanDerWaalsContact O-CG 3.3Å; C343-L346 WeakPolarHBondContact O-CG 3.25Å; C343-L346 PolarHBondContact O-N 2.82Å; C343-L346 VanDerWaalsContact O-N 3.1Å; L346-L367 HydrophobicContact CB-CD2 4.47Å; L346-L367 HydrophobicContact CD1-CD1 4.29Å; L346-L367 HydrophobicContact CD1-CD2 4.23Å; L346-N369 WeakPolarHBondContact O-CB 3.18Å; L346-L370 HydrophobicContact CB-CD2 4.34Å
347	D	89.8	Confident	96.4	Very high	64 Å²	64	37 Å²	37	34%	0.342	21%	0.208	S	C	.	.			trans	-103.2	-18.6	178.9	58.7	5.6	0	0	0	113.5	C324 K345 N369 L370 L371	C324-D347 PolarHBondContact O-N 3Å; K345-D347 PolarHBondContact O-N 3.49Å; D347-N369 WeakPolarHBondContact CA-O 3.28Å; D347-L370 WeakPolarHBondContact O-CA 3.38Å; D347-L371 PolarHBondContact O-N 2.92Å
348	E	92	Very high	96.4	Very high	88 Å²	88	40 Å²	40	41%	0.411	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	138.5	174.3	-174.6	-179.8	166.4	0	0	110.9	N350 L370 N372	E348-N350 HydrophobicContact CG-CB 4.31Å; E348-N350 PolarHBondContact OE1-ND2 3.26Å; E348-L370 VanDerWaalsContact C-CD2 3.42Å; E348-N372 HydrophobicContact CG-CB 4.48Å
349	F	95.7	Very high	96.4	Very high	5 Å²	5	37.3 Å²	37.3	2%	0.022	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	102.2	172	-173.7	-105.8	0	0	0	109.8	I336 L340 V351 L359 L363 L364 L367 L370 N372 I373 T374 L375	I336-F349 HydrophobicContact CG1-CZ 4.43Å; L340-F349 HydrophobicContact CD2-CE2 3.89Å; F349-V351 HydrophobicContact CE1-CG1 3.95Å; F349-V351 HydrophobicContact CE1-CG2 4.12Å; F349-V351 HydrophobicContact CE2-CG1 4.12Å; F349-V351 HydrophobicContact CZ-CG1 3.64Å; F349-L359 HydrophobicContact CE1-CD1 3.95Å; F349-L359 HydrophobicContact CE1-CD2 4.13Å; F349-L359 HydrophobicContact CZ-CD2 4.13Å; F349-L363 HydrophobicContact CE2-CD2 4.24Å; F349-L363 HydrophobicContact CZ-CD2 3.95Å; F349-L364 HydrophobicContact CD1-CD2 3.91Å; F349-L364 HydrophobicContact CE1-CD2 4.22Å; F349-L364 HydrophobicContact CG-CD2 4.37Å; F349-L367 HydrophobicContact CD2-CD1 4.46Å; F349-L370 HydrophobicContact CB-CD1 3.69Å; F349-L370 HydrophobicContact CB-CD2 3.7Å; F349-L370 HydrophobicContact CB-CG 4.35Å; F349-L370 HydrophobicContact CG-CD1 4.46Å; F349-N372 PolarHBondContact N-O 3.4Å; F349-N372 VanDerWaalsContact N-O 3.14Å; F349-I373 HydrophobicContact CD1-CG2 4.47Å; F349-I373 WeakPolarHBondContact O-CA 3.42Å; F349-T374 PolarHBondContact O-N 2.97Å; F349-L375 HydrophobicContact CD1-CD2 3.94Å; F349-L375 HydrophobicContact CE1-CD2 3.68Å
350	N	97.7	Very high	96.2	Very high	17 Å²	17	37.5 Å²	37.5	9%	0.091	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	109.9	-175.7	-169.9	-19.6	0	0	0	111.2	E348 E352	E348-N350 HydrophobicContact CG-CB 4.31Å; E348-N350 PolarHBondContact OE1-ND2 3.26Å; N350-E352 VanDerWaalsContact OD1-CB 3.29Å; N350-E352 WeakPolarHBondContact OD1-CB 3.11Å; N350-E352 PolarHBondContact OD1-N 3.26Å; N350-E352 VanDerWaalsContact OD1-N 3.07Å
351	V	98.1	Very high	95.9	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.236	C	C	.	.			trans	-117.8	24.8	178.1	-64.9	0	0	0	0	111.4	I328 I336 F349 N353 N354 L356 T374 L375 N378	I328-V351 HydrophobicContact CD1-CG1 3.65Å; I328-V351 HydrophobicContact CG1-CG1 3.99Å; I336-V351 HydrophobicContact CD1-CG1 4.09Å; F349-V351 HydrophobicContact CE1-CG1 3.95Å; F349-V351 HydrophobicContact CE1-CG2 4.12Å; F349-V351 HydrophobicContact CE2-CG1 4.12Å; F349-V351 HydrophobicContact CZ-CG1 3.64Å; V351-N353 PolarHBondContact O-N 3.06Å; V351-N354 PolarHBondContact O-ND2 3.25Å; V351-L356 HydrophobicContact CB-CD1 3.63Å; V351-L356 HydrophobicContact CG1-CD1 4Å; V351-L356 HydrophobicContact CG2-CD1 3.55Å; V351-T374 PolarHBondContact N-O 3.21Å; V351-L375 HydrophobicContact CG2-CD2 3.47Å; V351-L375 VanDerWaalsContact CG2-CD2 3.47Å; V351-N378 PolarHBondContact O-ND2 2.96Å
352	E	98.5	Very high	95.4	Very high	35 Å²	35	47 Å²	47	16%	0.164	26%	0.255	C	S	.	.			trans	-50	137.6	-179.7	-175.9	-170.1	169.4	0	0	111.6	K329 Y330 N350 N354 T374 S376 R377	K329-E352 CarbonylContact C-O 3.12Å; K329-E352 VanDerWaalsContact CA-O 3.25Å; K329-E352 WeakPolarHBondContact CA-O 3.16Å; K329-E352 HydrophobicContact CB-CB 4.03Å; K329-E352 WeakPolarHBondContact CB-O 3.29Å; Y330-E352 HydrophobicContact CE2-CG 4.35Å; Y330-E352 PolarHBondContact N-O 3.12Å; Y330-E352 PolarHBondContact OH-OE1 3.05Å; N350-E352 VanDerWaalsContact OD1-CB 3.29Å; N350-E352 WeakPolarHBondContact OD1-CB 3.11Å; N350-E352 PolarHBondContact OD1-N 3.26Å; N350-E352 VanDerWaalsContact OD1-N 3.07Å; E352-N354 PolarHBondContact O-ND2 3.4Å; E352-T374 HydrophobicContact CB-CG2 3.94Å; E352-S376 VanDerWaalsContact CA-O 3.24Å; E352-S376 WeakPolarHBondContact CA-O 3.26Å; E352-R377 IonicContact OE1-NE 2.63Å
353	N	98.5	Very high	95.3	Very high	69 Å²	69	42.8 Å²	42.8	37%	0.369	23%	0.232	S	C	.	.	S	Bend	trans	58.5	62.2	174.6	-157.5	9.5	0	0	0	112.1	Y330 N331 V351 S376 R377	Y330-N353 VanDerWaalsContact CA-O 3.3Å; Y330-N353 WeakPolarHBondContact CA-O 3.23Å; Y330-N353 HydrophobicContact CD1-CB 3.83Å; Y330-N353 WeakPolarHBondContact CD1-ND2 3.44Å; Y330-N353 HydrophobicContact CE1-CB 4Å; Y330-N353 WeakPolarHBondContact CE1-ND2 3.2Å; Y330-N353 HydrophobicContact CG-CB 4.12Å; Y330-N353 PolarHBondContact N-O 2.96Å; N331-N353 PolarHBondContact N-O 3.14Å; N331-N353 VanDerWaalsContact N-O 3.14Å; N331-N353 VanDerWaalsContact O-O 3.12Å; V351-N353 PolarHBondContact O-N 3.06Å; N353-S376 PolarHBondContact N-O 2.77Å; N353-R377 WeakPolarHBondContact CA-O 3.44Å; N353-R377 HydrophobicContact CB-CB 4.08Å; N353-R377 PolarHBondContact N-O 3.49Å
354	N	98.6	Very high	95.1	Very high	6 Å²	6	43 Å²	43	3%	0.032	23%	0.233	C	C	.	.	S	Bend	trans	-129.1	-168.6	171.3	-83.3	-77.2	0	0	0	109.2	I328 N331 Q332 L333 V351 E352 L356 R377 N378	I328-N354 PolarHBondContact O-ND2 3.26Å; I328-N354 VanDerWaalsContact O-ND2 3.16Å; N331-N354 WeakPolarHBondContact CA-OD1 3.28Å; N331-N354 WeakPolarHBondContact CB-OD1 3.08Å; N331-N354 PolarHBondContact O-OD1 2.86Å; Q332-N354 PolarHBondContact N-OD1 3.35Å; L333-N354 HydrophobicContact CB-CB 4.27Å; L333-N354 VanDerWaalsContact CB-OD1 3.27Å; L333-N354 WeakPolarHBondContact CB-OD1 3.21Å; L333-N354 WeakPolarHBondContact CG-OD1 3.39Å; L333-N354 PolarHBondContact N-OD1 2.91Å; V351-N354 PolarHBondContact O-ND2 3.25Å; E352-N354 PolarHBondContact O-ND2 3.4Å; N354-L356 HydrophobicContact CB-CD1 4.46Å; N354-L356 HydrophobicContact CB-CG 4.14Å; N354-R377 PolarHBondContact N-O 2.95Å; N354-N378 WeakPolarHBondContact CA-OD1 3.08Å; N354-N378 WeakPolarHBondContact CB-OD1 3.38Å; N354-N378 PolarHBondContact O-OD1 3.12Å
355	Q	98.2	Very high	95	Very high	78 Å²	78	41.8 Å²	41.8	36%	0.364	23%	0.226	S	C	.	.			trans	-113.6	29.5	-179.2	-57.4	-176.9	5.5	0	0	111.7	L333 V334 Y379	L333-Q355 CarbonylContact O-C 3.21Å; L333-Q355 VanDerWaalsContact O-CA 3.29Å; L333-Q355 WeakPolarHBondContact O-CA 3.41Å; L333-Q355 WeakPolarHBondContact O-CB 3.29Å; L333-Q355 PolarHBondContact O-N 3.42Å; V334-Q355 HydrophobicContact CG2-CB 4.29Å; Q355-Y379 HydrophobicContact CB-CD2 4.04Å; Q355-Y379 HydrophobicContact CB-CE2 3.7Å; Q355-Y379 HydrophobicContact CG-CE2 3.88Å
356	L	98	Very high	94.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.225	C	C	.	.			trans	-76.8	136	-175.4	-58.1	173.1	0	0	0	110.7	L333 I336 V351 N354 L359 N378 Y379 F380	L333-L356 HydrophobicContact CB-CD2 4.23Å; L333-L356 WeakPolarHBondContact O-CD2 3.11Å; L333-L356 PolarHBondContact O-N 3.37Å; I336-L356 HydrophobicContact CD1-CD1 4.12Å; I336-L356 HydrophobicContact CD1-CD2 4.19Å; I336-L356 HydrophobicContact CG1-CD1 3.95Å; I336-L356 HydrophobicContact CG1-CD2 3.95Å; V351-L356 HydrophobicContact CB-CD1 3.63Å; V351-L356 HydrophobicContact CG1-CD1 4Å; V351-L356 HydrophobicContact CG2-CD1 3.55Å; N354-L356 HydrophobicContact CB-CD1 4.46Å; N354-L356 HydrophobicContact CB-CG 4.14Å; L356-L359 HydrophobicContact CD1-CD2 4.3Å; L356-N378 HydrophobicContact CB-CB 4.43Å; L356-N378 VanDerWaalsContact CB-OD1 3.3Å; L356-N378 WeakPolarHBondContact CB-OD1 3.34Å; L356-N378 PolarHBondContact N-OD1 3.28Å; L356-N378 WeakPolarHBondContact O-CB 3.35Å; L356-Y379 CarbonylContact O-C 3.04Å; L356-Y379 WeakPolarHBondContact O-CA 3.26Å; L356-Y379 PolarHBondContact O-N 2.88Å; L356-F380 HydrophobicContact CB-CE2 3.87Å; L356-F380 HydrophobicContact CB-CZ 4.01Å
357	S	96.6	Very high	94.7	Very high	64 Å²	64	40.2 Å²	40.2	45%	0.448	23%	0.226	S	C	.	.	S	Bend	trans	-113	-14.5	171.9	54.1	0	0	0	0	113.1
358	S	96.4	Very high	94.5	Very high	71 Å²	71	42.1 Å²	42.1	50%	0.497	23%	0.232	S	C	.	.			trans	-156.7	167.6	177.9	60.3	0	0	0	0	110.4
359	L	96.6	Very high	94.4	Very high	8 Å²	8	41.2 Å²	41.2	4%	0.042	23%	0.23	C	C	.	.			trans	-115.4	154.9	168.4	-63.3	178.9	0	0	0	109.1	I336 F349 L356 L363 L364 L375 F380 P384	I336-L359 HydrophobicContact CG1-CD2 4Å; F349-L359 HydrophobicContact CE1-CD1 3.95Å; F349-L359 HydrophobicContact CE1-CD2 4.13Å; F349-L359 HydrophobicContact CZ-CD2 4.13Å; L356-L359 HydrophobicContact CD1-CD2 4.3Å; L359-L363 HydrophobicContact CB-CD2 4.46Å; L359-L363 HydrophobicContact CD2-CD2 4.45Å; L359-L364 HydrophobicContact CD1-CD1 3.89Å; L359-L364 HydrophobicContact CD1-CD2 4.22Å; L359-L364 HydrophobicContact CD1-CG 4.03Å; L359-L375 HydrophobicContact CD1-CD1 4.24Å; L359-L375 HydrophobicContact CD1-CD2 4.09Å; L359-F380 HydrophobicContact CD2-CZ 4.04Å; L359-F380 HydrophobicContact CG-CE1 4.06Å; L359-F380 HydrophobicContact CG-CZ 3.89Å; L359-P384 HydrophobicContact CB-CB 4.45Å; L359-P384 HydrophobicContact CD1-CB 4.07Å; L359-P384 HydrophobicContact CD1-CG 3.92Å; L359-P384 HydrophobicContact CG-CB 4.47Å; L359-P384 HydrophobicContact CG-CG 4.46Å
360	P	94.9	Very high	94.1	Very high	31 Å²	31	41.2 Å²	41.2	20%	0.201	23%	0.23	C	C	.	.			trans	-56.1	140.1	170.9	-23.8	32.7	0	0	0	112.1	I336 A338 N362 L363	I336-P360 HydrophobicContact CB-CG 4.45Å; I336-P360 WeakPolarHBondContact O-CG 3.43Å; A338-P360 HydrophobicContact CB-CB 3.95Å; A338-P360 HydrophobicContact CB-CG 4.37Å; P360-N362 PolarHBondContact O-N 3.02Å; P360-L363 HydrophobicContact CB-CB 4.37Å; P360-L363 WeakPolarHBondContact O-CB 3.06Å; P360-L363 PolarHBondContact O-N 3.43Å; P360-L363 VanDerWaalsContact O-N 3.15Å
361	N	89	Confident	93.9	Very high	116 Å²	116	43.7 Å²	43.7	62%	0.62	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	138	173.2	-68.2	-25.2	0	0	0	110.3	L363 S385	N361-L363 PolarHBondContact O-N 3.34Å; N361-S385 PolarHBondContact OD1-OG 3.47Å
362	N	85.7	Confident	93.7	Very high	99 Å²	99	46.5 Å²	46.5	53%	0.529	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	66	8	-179.3	-53.9	-37.2	0	0	0	116.1	P360 C366	P360-N362 PolarHBondContact O-N 3.02Å; N362-C366 PolarHBondContact O-N 3.41Å; N362-C366 PolarHBondContact O-SG 3.16Å
363	L	94.1	Very high	93.6	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-59.9	-59	175.6	177.5	62	0	0	0	111.5	I336 L340 A341 F349 L359 P360 N361 C366 L367	I336-L363 HydrophobicContact CB-CD2 4.46Å; I336-L363 HydrophobicContact CG2-CD2 3.78Å; L340-L363 HydrophobicContact CB-CD1 3.95Å; L340-L363 HydrophobicContact CD2-CD1 4.46Å; L340-L363 HydrophobicContact CG-CD1 4.25Å; A341-L363 HydrophobicContact CB-CD1 4.11Å; F349-L363 HydrophobicContact CE2-CD2 4.24Å; F349-L363 HydrophobicContact CZ-CD2 3.95Å; L359-L363 HydrophobicContact CB-CD2 4.46Å; L359-L363 HydrophobicContact CD2-CD2 4.45Å; P360-L363 HydrophobicContact CB-CB 4.37Å; P360-L363 WeakPolarHBondContact O-CB 3.06Å; P360-L363 PolarHBondContact O-N 3.43Å; P360-L363 VanDerWaalsContact O-N 3.15Å; N361-L363 PolarHBondContact O-N 3.34Å; L363-C366 PolarHBondContact O-N 3.09Å; L363-L367 HydrophobicContact CD1-CD1 4.17Å; L363-L367 HydrophobicContact CG-CD1 4.41Å; L363-L367 WeakPolarHBondContact O-CG 3.48Å
364	L	93.9	Very high	93.6	Very high	6 Å²	6	42.1 Å²	42.1	3%	0.031	24%	0.237	C	C	.	.	H	α-helix	trans	-65.3	-43.4	-174.5	-63.6	179.8	0	0	0	113.2	F349 L359 C366 L367 L370 I373 P384 Q390 F391	F349-L364 HydrophobicContact CD1-CD2 3.91Å; F349-L364 HydrophobicContact CE1-CD2 4.22Å; F349-L364 HydrophobicContact CG-CD2 4.37Å; L359-L364 HydrophobicContact CD1-CD1 3.89Å; L359-L364 HydrophobicContact CD1-CD2 4.22Å; L359-L364 HydrophobicContact CD1-CG 4.03Å; L364-C366 PolarHBondContact O-N 3.26Å; L364-L367 PolarHBondContact O-N 2.81Å; L364-L367 VanDerWaalsContact O-N 3.1Å; L364-L370 HydrophobicContact CD2-CD1 3.98Å; L364-I373 HydrophobicContact CD1-CD1 4.26Å; L364-I373 HydrophobicContact CD2-CD1 4.12Å; L364-P384 HydrophobicContact CD1-CB 4.17Å; L364-P384 HydrophobicContact CD1-CG 4.25Å; L364-Q390 HydrophobicContact CB-CB 3.77Å; L364-F391 HydrophobicContact CD1-CE1 4.18Å
365	P	92	Very high	93.6	Very high	29 Å²	29	41.9 Å²	41.9	19%	0.188	24%	0.235	C	C	.	.	H	α-helix	trans	-56.9	-30.9	174.1	-27	34	0	0	0	115.1	L367 Q390	P365-L367 VanDerWaalsContact C-N 3.34Å; P365-Q390 HydrophobicContact CG-CB 3.85Å
366	C	92.2	Very high	93.6	Very high	53 Å²	53	38.2 Å²	38.2	36%	0.358	22%	0.218	S	C	.	.	H	α-helix	trans	-73.2	-26.3	178.9	-72.1	0	0	0	0	113.1	A341 N362 L363 L364 H368	A341-C366 HydrophobicContact CB-CB 3.88Å; N362-C366 PolarHBondContact O-N 3.41Å; N362-C366 PolarHBondContact O-SG 3.16Å; L363-C366 PolarHBondContact O-N 3.09Å; L364-C366 PolarHBondContact O-N 3.26Å; C366-H368 VanDerWaalsContact C-N 3.33Å; C366-H368 PolarHBondContact O-N 2.75Å; C366-H368 VanDerWaalsContact O-N 3.13Å; C366-H368 PolarHBondContact O-ND1 3.39Å
367	L	92.1	Very high	93.6	Very high	4 Å²	4	43 Å²	43	2%	0.021	24%	0.236	C	C	.	.			trans	-90.5	67.3	-176.2	-56.2	178.2	0	0	0	110.5	C343 L346 F349 L363 L364 P365 N369 L370	C343-L367 WeakPolarHBondContact O-CD2 3.37Å; L346-L367 HydrophobicContact CB-CD2 4.47Å; L346-L367 HydrophobicContact CD1-CD1 4.29Å; L346-L367 HydrophobicContact CD1-CD2 4.23Å; F349-L367 HydrophobicContact CD2-CD1 4.46Å; L363-L367 HydrophobicContact CD1-CD1 4.17Å; L363-L367 HydrophobicContact CG-CD1 4.41Å; L363-L367 WeakPolarHBondContact O-CG 3.48Å; L364-L367 PolarHBondContact O-N 2.81Å; L364-L367 VanDerWaalsContact O-N 3.1Å; P365-L367 VanDerWaalsContact C-N 3.34Å; L367-N369 PolarHBondContact O-N 3.01Å; L367-L370 HydrophobicContact CB-CD1 3.51Å; L367-L370 HydrophobicContact CB-CD2 4.38Å; L367-L370 HydrophobicContact CB-CG 3.59Å; L367-L370 HydrophobicContact CD1-CD1 3.81Å; L367-L370 HydrophobicContact CD1-CG 4.43Å; L367-L370 HydrophobicContact CG-CD1 4.3Å; L367-L370 WeakPolarHBondContact O-CB 3.32Å; L367-L370 VanDerWaalsContact O-CG 3.32Å; L367-L370 WeakPolarHBondContact O-CG 3.3Å; L367-L370 PolarHBondContact O-N 3.22Å; L367-L370 VanDerWaalsContact O-N 3.1Å
368	H	86.7	Confident	93.7	Very high	103 Å²	103	40.3 Å²	40.3	48%	0.477	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-8.5	-172.1	57.6	-92.1	0	0	0	115.9	C366 M393	C366-H368 VanDerWaalsContact C-N 3.33Å; C366-H368 PolarHBondContact O-N 2.75Å; C366-H368 VanDerWaalsContact O-N 3.13Å; C366-H368 PolarHBondContact O-ND1 3.39Å; H368-M393 WeakPolarHBondContact O-CG 3.35Å
369	N	88	Confident	93.8	Very high	70 Å²	70	42.8 Å²	42.8	37%	0.374	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	1.3	177.7	-62.9	-55.3	0	0	0	113.3	V344 L346 D347 L367 L371	V344-N369 PolarHBondContact O-ND2 3Å; L346-N369 WeakPolarHBondContact O-CB 3.18Å; D347-N369 WeakPolarHBondContact CA-O 3.28Å; L367-N369 PolarHBondContact O-N 3.01Å; N369-L371 PolarHBondContact O-N 2.89Å; N369-L371 VanDerWaalsContact O-N 3.11Å
370	L	90.6	Very high	93.9	Very high	4 Å²	4	42.4 Å²	42.4	2%	0.021	21%	0.214	C	C	.	.			trans	-67.7	110.4	-177.9	-68.9	-177.3	0	0	0	112.2	L346 D347 E348 F349 L364 L367 I373 C394	L346-L370 HydrophobicContact CB-CD2 4.34Å; D347-L370 WeakPolarHBondContact O-CA 3.38Å; E348-L370 VanDerWaalsContact C-CD2 3.42Å; F349-L370 HydrophobicContact CB-CD1 3.69Å; F349-L370 HydrophobicContact CB-CD2 3.7Å; F349-L370 HydrophobicContact CB-CG 4.35Å; F349-L370 HydrophobicContact CG-CD1 4.46Å; L364-L370 HydrophobicContact CD2-CD1 3.98Å; L367-L370 HydrophobicContact CB-CD1 3.51Å; L367-L370 HydrophobicContact CB-CD2 4.38Å; L367-L370 HydrophobicContact CB-CG 3.59Å; L367-L370 HydrophobicContact CD1-CD1 3.81Å; L367-L370 HydrophobicContact CD1-CG 4.43Å; L367-L370 HydrophobicContact CG-CD1 4.3Å; L367-L370 WeakPolarHBondContact O-CB 3.32Å; L367-L370 VanDerWaalsContact O-CG 3.32Å; L367-L370 WeakPolarHBondContact O-CG 3.3Å; L367-L370 PolarHBondContact O-N 3.22Å; L367-L370 VanDerWaalsContact O-N 3.1Å; L370-I373 HydrophobicContact CB-CG1 4.39Å; L370-I373 HydrophobicContact CD1-CD1 4.28Å; L370-I373 HydrophobicContact CD1-CG1 4.23Å; L370-C394 PolarHBondContact O-SG 2.53Å
371	L	93	Very high	93.9	Very high	70 Å²	70	43.7 Å²	43.7	37%	0.366	22%	0.222	S	C	.	.			trans	-91.7	-32.5	175	-57.5	-173.5	0	0	0	111.8	D347 N369 C394 Y395 T396	D347-L371 PolarHBondContact O-N 2.92Å; N369-L371 PolarHBondContact O-N 2.89Å; N369-L371 VanDerWaalsContact O-N 3.11Å; L371-C394 WeakPolarHBondContact O-CA 3.27Å; L371-Y395 HydrophobicContact CB-CD2 4.18Å; L371-Y395 HydrophobicContact CD2-CD2 4.03Å; L371-Y395 HydrophobicContact CD2-CE2 3.98Å; L371-Y395 PolarHBondContact O-N 3.45Å; L371-T396 PolarHBondContact O-N 3.43Å
372	N	94.9	Very high	94.2	Very high	59 Å²	59	42.2 Å²	42.2	32%	0.316	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	127.7	-178.5	-58.4	-58.3	0	0	0	110.3	E348 F349 T396	E348-N372 HydrophobicContact CG-CB 4.48Å; F349-N372 PolarHBondContact N-O 3.4Å; F349-N372 VanDerWaalsContact N-O 3.14Å; N372-T396 VanDerWaalsContact OD1-CB 3.28Å; N372-T396 WeakPolarHBondContact OD1-CB 3.42Å; N372-T396 PolarHBondContact OD1-OG1 2.73Å; N372-T396 VanDerWaalsContact OD1-OG1 3.14Å
373	I	96.5	Very high	94.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	121.8	175.6	-63.5	180	0	0	0	108.6	F349 L364 L370 L375 F391 C394 T396 I397 N398	F349-I373 HydrophobicContact CD1-CG2 4.47Å; F349-I373 WeakPolarHBondContact O-CA 3.42Å; L364-I373 HydrophobicContact CD1-CD1 4.26Å; L364-I373 HydrophobicContact CD2-CD1 4.12Å; L370-I373 HydrophobicContact CB-CG1 4.39Å; L370-I373 HydrophobicContact CD1-CD1 4.28Å; L370-I373 HydrophobicContact CD1-CG1 4.23Å; I373-L375 HydrophobicContact CG2-CD1 4.24Å; I373-L375 HydrophobicContact CG2-CD2 4.04Å; I373-L375 HydrophobicContact CG2-CG 3.88Å; I373-F391 HydrophobicContact CD1-CD1 3.92Å; I373-F391 HydrophobicContact CD1-CE1 3.94Å; I373-C394 WeakPolarHBondContact CD1-SG 3.41Å; I373-T396 PolarHBondContact N-O 3.09Å; I373-I397 WeakPolarHBondContact O-CA 3.14Å; I373-N398 PolarHBondContact O-N 2.62Å
374	T	97.9	Very high	94.5	Very high	12 Å²	12	38.4 Å²	38.4	7%	0.074	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	111	176.6	-60.8	0	0	0	0	110	F349 V351 E352 N398	F349-T374 PolarHBondContact O-N 2.97Å; V351-T374 PolarHBondContact N-O 3.21Å; E352-T374 HydrophobicContact CB-CG2 3.94Å; T374-N398 WeakPolarHBondContact CA-O 3.44Å; T374-N398 HydrophobicContact CG2-CB 4.1Å; T374-N398 PolarHBondContact OG1-ND2 2.86Å
375	L	98.1	Very high	94.1	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.212	C	C	.	.			trans	-113.4	12.7	177.1	-48.8	179.4	0	0	0	111.7	F349 V351 L359 I373 N378 F380 P384 N398 M399 N402	F349-L375 HydrophobicContact CD1-CD2 3.94Å; F349-L375 HydrophobicContact CE1-CD2 3.68Å; V351-L375 HydrophobicContact CG2-CD2 3.47Å; V351-L375 VanDerWaalsContact CG2-CD2 3.47Å; L359-L375 HydrophobicContact CD1-CD1 4.24Å; L359-L375 HydrophobicContact CD1-CD2 4.09Å; I373-L375 HydrophobicContact CG2-CD1 4.24Å; I373-L375 HydrophobicContact CG2-CD2 4.04Å; I373-L375 HydrophobicContact CG2-CG 3.88Å; L375-N378 PolarHBondContact O-ND2 2.96Å; L375-N378 VanDerWaalsContact O-ND2 3.11Å; L375-F380 HydrophobicContact CB-CD2 4.29Å; L375-F380 HydrophobicContact CB-CE2 3.94Å; L375-F380 HydrophobicContact CD1-CE2 4.49Å; L375-F380 HydrophobicContact CD1-CZ 4.32Å; L375-P384 HydrophobicContact CD1-CG 3.59Å; L375-N398 PolarHBondContact N-O 2.91Å; L375-M399 HydrophobicContact CB-CE 4.42Å; L375-M399 HydrophobicContact CB-CG 4.17Å; L375-M399 HydrophobicContact CD1-CE 3.64Å; L375-M399 HydrophobicContact CD1-CG 4.24Å; L375-M399 HydrophobicContact CD1-SD 4.18Å; L375-M399 HydrophobicContact CG-CG 4.44Å; L375-N402 PolarHBondContact O-ND2 2.96Å
376	S	98.5	Very high	93.5	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.014	22%	0.224	C	C	.	.			trans	-60.9	154.6	-173.6	-48.2	0	0	0	0	113.3	E352 N353 N378 N398 D400	E352-S376 VanDerWaalsContact CA-O 3.24Å; E352-S376 WeakPolarHBondContact CA-O 3.26Å; N353-S376 PolarHBondContact N-O 2.77Å; S376-N378 PolarHBondContact O-N 3.49Å; S376-N378 PolarHBondContact O-ND2 3.28Å; S376-N398 WeakPolarHBondContact OG-CB 3.28Å; S376-D400 CarbonylContact C-O 3.52Å; S376-D400 WeakPolarHBondContact CA-O 3.46Å; S376-D400 VanDerWaalsContact CB-O 3.31Å; S376-D400 WeakPolarHBondContact CB-O 3.13Å; S376-D400 WeakPolarHBondContact CB-OD1 3.47Å; S376-D400 PolarHBondContact OG-OD1 3.41Å
377	R	98.6	Very high	93.2	Very high	100 Å²	100	43.2 Å²	43.2	38%	0.377	23%	0.229	S	C	.	.	S	Bend	trans	54.2	54.8	178	-58.3	179.1	-177.5	-67.2	-12.4	112	E352 N353 N354 D400 H401	E352-R377 IonicContact OE1-NE 2.63Å; N353-R377 WeakPolarHBondContact CA-O 3.44Å; N353-R377 HydrophobicContact CB-CB 4.08Å; N353-R377 PolarHBondContact N-O 3.49Å; N354-R377 PolarHBondContact N-O 2.95Å; R377-D400 PolarHBondContact N-O 3Å; R377-H401 WeakPolarHBondContact CA-O 3.45Å; R377-H401 HydrophobicContact CB-CB 4.44Å; R377-H401 HydrophobicContact CG-CB 3.72Å; R377-H401 PolarHBondContact N-O 3.49Å; R377-H401 PolarHBondContact NH1-CD2 2.92Å; R377-H401 VanDerWaalsContact NH1-CD2 3.34Å; R377-H401 PolarHBondContact NH2-CE1 3.23Å; R377-H401 PolarHBondContact NH2-NE2 3.47Å; R377-H401 VanDerWaalsContact NH2-NE2 3.14Å
378	N	98.6	Very high	93.1	Very high	7 Å²	7	44.6 Å²	44.6	4%	0.037	24%	0.238	C	C	.	.	S	Bend	trans	-131.9	-167	175.1	-84.8	-80.9	0	0	0	108.5	V351 N354 L356 L375 S376 F380 H401 N402	V351-N378 PolarHBondContact O-ND2 2.96Å; N354-N378 WeakPolarHBondContact CA-OD1 3.08Å; N354-N378 WeakPolarHBondContact CB-OD1 3.38Å; N354-N378 PolarHBondContact O-OD1 3.12Å; L356-N378 HydrophobicContact CB-CB 4.43Å; L356-N378 VanDerWaalsContact CB-OD1 3.3Å; L356-N378 WeakPolarHBondContact CB-OD1 3.34Å; L356-N378 PolarHBondContact N-OD1 3.28Å; L356-N378 WeakPolarHBondContact O-CB 3.35Å; L375-N378 PolarHBondContact O-ND2 2.96Å; L375-N378 VanDerWaalsContact O-ND2 3.11Å; S376-N378 PolarHBondContact O-N 3.49Å; S376-N378 PolarHBondContact O-ND2 3.28Å; N378-F380 HydrophobicContact CB-CD2 3.6Å; N378-F380 HydrophobicContact CB-CE2 3.79Å; N378-H401 PolarHBondContact N-O 2.84Å; N378-N402 WeakPolarHBondContact CA-OD1 3.41Å; N378-N402 VanDerWaalsContact CB-OD1 3.29Å; N378-N402 WeakPolarHBondContact CB-OD1 3.34Å; N378-N402 PolarHBondContact N-OD1 2.79Å; N378-N402 PolarHBondContact O-OD1 2.89Å; N378-N402 VanDerWaalsContact O-OD1 3.08Å
379	Y	97.9	Very high	93.3	Very high	123 Å²	123	44.5 Å²	44.5	48%	0.482	24%	0.238	S	C	.	.			trans	-112	31.5	179.5	-56.7	-59.2	0	0	0	112.1	Q355 L356 T381	Q355-Y379 HydrophobicContact CB-CD2 4.04Å; Q355-Y379 HydrophobicContact CB-CE2 3.7Å; Q355-Y379 HydrophobicContact CG-CE2 3.88Å; L356-Y379 CarbonylContact O-C 3.04Å; L356-Y379 WeakPolarHBondContact O-CA 3.26Å; L356-Y379 PolarHBondContact O-N 2.88Å; Y379-T381 PolarHBondContact O-N 3.22Å
380	F	97.9	Very high	93.4	Very high	1 Å²	1	41.6 Å²	41.6	0%	0.004	22%	0.222	C	C	.	.			trans	-66.7	121	177.4	-74	-88.2	0	0	0	110	L356 L359 L375 N378 P384 M399 N402 E403 I404	L356-F380 HydrophobicContact CB-CE2 3.87Å; L356-F380 HydrophobicContact CB-CZ 4.01Å; L359-F380 HydrophobicContact CD2-CZ 4.04Å; L359-F380 HydrophobicContact CG-CE1 4.06Å; L359-F380 HydrophobicContact CG-CZ 3.89Å; L375-F380 HydrophobicContact CB-CD2 4.29Å; L375-F380 HydrophobicContact CB-CE2 3.94Å; L375-F380 HydrophobicContact CD1-CE2 4.49Å; L375-F380 HydrophobicContact CD1-CZ 4.32Å; N378-F380 HydrophobicContact CB-CD2 3.6Å; N378-F380 HydrophobicContact CB-CE2 3.79Å; F380-P384 HydrophobicContact CE1-CG 4.31Å; F380-M399 HydrophobicContact CG-CE 4.49Å; F380-N402 HydrophobicContact CB-CB 4.3Å; F380-N402 WeakPolarHBondContact CB-OD1 3.44Å; F380-N402 WeakPolarHBondContact CD2-OD1 3.29Å; F380-N402 PolarHBondContact N-OD1 3.28Å; F380-E403 CarbonylContact O-C 3.07Å; F380-E403 WeakPolarHBondContact O-CA 3.22Å; F380-E403 PolarHBondContact O-N 3.18Å; F380-I404 HydrophobicContact CB-CG1 4.22Å; F380-I404 WeakPolarHBondContact O-CG1 3.21Å; F380-I404 PolarHBondContact O-N 3.27Å; F380-I404 VanDerWaalsContact O-N 3.14Å
381	T	96.6	Very high	93.5	Very high	58 Å²	58	41.4 Å²	41.4	36%	0.356	22%	0.221	S	C	.	.	S	Bend	trans	-94.8	-17.9	172	53.6	0	0	0	0	112.6	Y379 E403 I404 T405	Y379-T381 PolarHBondContact O-N 3.22Å; T381-E403 WeakPolarHBondContact CA-O 3.3Å; T381-E403 HydrophobicContact CG2-CB 4.14Å; T381-I404 WeakPolarHBondContact O-CA 3.27Å; T381-T405 PolarHBondContact O-N 2.93Å
382	N	94.7	Very high	93.4	Very high	85 Å²	85	41.5 Å²	41.5	46%	0.455	22%	0.22	S	C	.	.	S	Bend	trans	-139.1	160.8	179.6	-64.2	-86.9	0	0	0	108.9
383	F	93.9	Very high	93.2	Very high	12 Å²	12	42.8 Å²	42.8	5%	0.053	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-60.2	151.4	167.4	-84.5	-109	0	0	0	111.1	S385 F391 M399 I404 I407 P408 V411 F412 L423	F383-S385 PolarHBondContact O-N 3.14Å; F383-F391 HydrophobicContact CD1-CE2 4.3Å; F383-F391 HydrophobicContact CD1-CZ 4.45Å; F383-M399 HydrophobicContact CD1-SD 3.83Å; F383-M399 HydrophobicContact CE1-SD 3.69Å; F383-M399 HydrophobicContact CG-SD 4.44Å; F383-M399 HydrophobicContact CZ-SD 4.19Å; F383-I404 HydrophobicContact CD2-CG2 3.86Å; F383-I404 HydrophobicContact CE2-CD1 4.41Å; F383-I404 HydrophobicContact CE2-CG2 3.82Å; F383-I407 HydrophobicContact CE2-CB 4.12Å; F383-I407 HydrophobicContact CE2-CG1 3.91Å; F383-I407 HydrophobicContact CE2-CG2 3.97Å; F383-I407 HydrophobicContact CZ-CG1 4.27Å; F383-I407 HydrophobicContact CZ-CG2 3.98Å; F383-P408 HydrophobicContact CB-CG 3.81Å; F383-P408 VanDerWaalsContact CD2-CD 3.46Å; F383-P408 HydrophobicContact CD2-CG 4.41Å; F383-P408 HydrophobicContact CG-CG 4.26Å; F383-V411 HydrophobicContact CD1-CG2 4.34Å; F383-F412 HydrophobicContact CE1-CE1 4.14Å; F383-F412 AromaticContact CE1-CZ 3.64Å; F383-F412 HydrophobicContact CE1-CZ 3.64Å; F383-F412 AromaticContact CZ-CZ 3.98Å; F383-F412 HydrophobicContact CZ-CZ 3.98Å; F383-L423 HydrophobicContact CE2-CD2 4.18Å; F383-L423 HydrophobicContact CZ-CD1 4.31Å; F383-L423 HydrophobicContact CZ-CD2 3.71Å
384	P	92.6	Very high	93	Very high	8 Å²	8	42.9 Å²	42.9	5%	0.052	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-53.2	132.5	173.4	-25.3	33.6	0	0	0	111.5	L359 L364 L375 F380 G386 Q390 M399	L359-P384 HydrophobicContact CB-CB 4.45Å; L359-P384 HydrophobicContact CD1-CB 4.07Å; L359-P384 HydrophobicContact CD1-CG 3.92Å; L359-P384 HydrophobicContact CG-CB 4.47Å; L359-P384 HydrophobicContact CG-CG 4.46Å; L364-P384 HydrophobicContact CD1-CB 4.17Å; L364-P384 HydrophobicContact CD1-CG 4.25Å; L375-P384 HydrophobicContact CD1-CG 3.59Å; F380-P384 HydrophobicContact CE1-CG 4.31Å; P384-G386 PolarHBondContact O-N 2.87Å; P384-Q390 PolarHBondContact O-NE2 3.48Å; P384-Q390 VanDerWaalsContact O-NE2 3.14Å; P384-M399 HydrophobicContact CG-CE 4.34Å
385	S	85.8	Confident	92.9	Very high	61 Å²	61	47 Å²	47	43%	0.427	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-64.7	130.9	175.2	44.3	0	0	0	0	110.4	N361 F383	N361-S385 PolarHBondContact OD1-OG 3.47Å; F383-S385 PolarHBondContact O-N 3.14Å
386	G	79.3	Confident	92.8	Very high	43 Å²	43	48.2 Å²	48.2	44%	0.443	25%	0.247	S	C	.	.	S	Bend	trans	169.7	169.9	-179.3	0	0	0	0	0	113	P384	P384-G386 PolarHBondContact O-N 2.87Å
387	D	85.1	Confident	92.8	Very high	86 Å²	86	48.1 Å²	48.1	46%	0.46	25%	0.247	S	C	.	.			trans	-69.3	147.9	168.9	-172.7	-85	0	0	0	110.2	Q389 Q390	D387-Q389 HydrophobicContact CB-CB 4.42Å; D387-Q389 PolarHBondContact O-N 3.4Å; D387-Q389 WeakPolarHBondContact OD1-CB 3.15Å; D387-Q389 PolarHBondContact OD1-N 3Å; D387-Q390 WeakPolarHBondContact O-CB 3.11Å; D387-Q390 VanDerWaalsContact O-CG 3.32Å; D387-Q390 WeakPolarHBondContact O-CG 3.37Å; D387-Q390 PolarHBondContact O-N 3.08Å
388	P	89.4	Confident	92.8	Very high	32 Å²	32	45.1 Å²	45.1	21%	0.208	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-50.7	-21.1	173.8	-28.6	36.3	0	0	0	114.6	Q390 F391 S410 S413 L414	P388-Q390 PolarHBondContact O-N 3.26Å; P388-Q390 VanDerWaalsContact O-N 3.11Å; P388-F391 PolarHBondContact O-N 3.36Å; P388-S410 WeakPolarHBondContact CG-O 3.14Å; P388-S413 WeakPolarHBondContact CB-OG 3.39Å; P388-L414 HydrophobicContact CB-CB 4.46Å; P388-L414 HydrophobicContact CB-CD1 4.24Å; P388-L414 HydrophobicContact CB-CG 4.15Å
389	Q	90.8	Very high	92.7	Very high	101 Å²	101	44.8 Å²	44.8	47%	0.472	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-55.3	-24.4	172.9	-177.5	163.9	48	0	0	113.2	D387 F391 Q392 L414	D387-Q389 HydrophobicContact CB-CB 4.42Å; D387-Q389 PolarHBondContact O-N 3.4Å; D387-Q389 WeakPolarHBondContact OD1-CB 3.15Å; D387-Q389 PolarHBondContact OD1-N 3Å; Q389-F391 PolarHBondContact O-N 2.99Å; Q389-Q392 VanDerWaalsContact O-CB 3.32Å; Q389-Q392 WeakPolarHBondContact O-CB 3.36Å; Q389-Q392 PolarHBondContact O-N 3.4Å; Q389-Q392 VanDerWaalsContact O-N 3.08Å; Q389-L414 HydrophobicContact CB-CD1 4.18Å
390	Q	91.2	Very high	92.8	Very high	9 Å²	9	39.9 Å²	39.9	4%	0.042	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-57.8	-23.5	179.7	72.3	-179.3	-21.2	0	0	114.5	L364 P365 P384 D387 P388	L364-Q390 HydrophobicContact CB-CB 3.77Å; P365-Q390 HydrophobicContact CG-CB 3.85Å; P384-Q390 PolarHBondContact O-NE2 3.48Å; P384-Q390 VanDerWaalsContact O-NE2 3.14Å; D387-Q390 WeakPolarHBondContact O-CB 3.11Å; D387-Q390 VanDerWaalsContact O-CG 3.32Å; D387-Q390 WeakPolarHBondContact O-CG 3.37Å; D387-Q390 PolarHBondContact O-N 3.08Å; P388-Q390 PolarHBondContact O-N 3.26Å; P388-Q390 VanDerWaalsContact O-N 3.11Å
391	F	92.4	Very high	92.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-112.4	8.5	-179.7	-60.1	-48.7	0	0	0	113.5	L364 I373 F383 P388 Q389 M393 C394 I397 V411 F412 A415	L364-F391 HydrophobicContact CD1-CE1 4.18Å; I373-F391 HydrophobicContact CD1-CD1 3.92Å; I373-F391 HydrophobicContact CD1-CE1 3.94Å; F383-F391 HydrophobicContact CD1-CE2 4.3Å; F383-F391 HydrophobicContact CD1-CZ 4.45Å; P388-F391 PolarHBondContact O-N 3.36Å; Q389-F391 PolarHBondContact O-N 2.99Å; F391-M393 VanDerWaalsContact C-N 3.29Å; F391-M393 PolarHBondContact O-N 2.96Å; F391-C394 PolarHBondContact O-N 3.27Å; F391-I397 HydrophobicContact CB-CD1 4.01Å; F391-I397 HydrophobicContact CD1-CD1 3.43Å; F391-I397 VanDerWaalsContact CD1-CD1 3.43Å; F391-I397 HydrophobicContact CD1-CG1 4.12Å; F391-I397 HydrophobicContact CD2-CD1 4.25Å; F391-I397 HydrophobicContact CE1-CD1 3.91Å; F391-I397 HydrophobicContact CE1-CG1 4.42Å; F391-I397 HydrophobicContact CG-CD1 3.63Å; F391-I397 HydrophobicContact CZ-CD1 4.5Å; F391-V411 HydrophobicContact CD2-CG2 4.07Å; F391-V411 HydrophobicContact CE2-CG2 3.71Å; F391-F412 HydrophobicContact CD2-CD1 4.11Å; F391-F412 HydrophobicContact CD2-CE1 4.11Å; F391-F412 HydrophobicContact CE2-CE1 4.35Å; F391-A415 HydrophobicContact CB-CB 3.93Å; F391-A415 WeakPolarHBondContact O-CA 3.18Å
392	Q	91.4	Very high	92.9	Very high	73 Å²	73	39.6 Å²	39.6	34%	0.341	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-37.9	-171.7	-176.4	178.8	1.1	0	0	113.5	Q389 L414 N417	Q389-Q392 VanDerWaalsContact O-CB 3.32Å; Q389-Q392 WeakPolarHBondContact O-CB 3.36Å; Q389-Q392 PolarHBondContact O-N 3.4Å; Q389-Q392 VanDerWaalsContact O-N 3.08Å; Q392-L414 WeakPolarHBondContact CA-O 3.14Å; Q392-L414 HydrophobicContact CB-CB 4.31Å; Q392-L414 HydrophobicContact CG-CB 4.41Å; Q392-N417 PolarHBondContact O-ND2 3.02Å
393	M	90	Very high	93	Very high	85 Å²	85	40.9 Å²	40.9	42%	0.419	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-5.6	-174.9	-61.4	-58.9	-62.8	0	0	113.5	H368 F391	H368-M393 WeakPolarHBondContact O-CG 3.35Å; F391-M393 VanDerWaalsContact C-N 3.29Å; F391-M393 PolarHBondContact O-N 2.96Å
394	C	92.5	Very high	93.2	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.014	21%	0.214	C	C	.	.			trans	-77.7	135.1	-170.8	-58.3	0	0	0	0	112	L370 L371 I373 F391 I397 N417 L418	L370-C394 PolarHBondContact O-SG 2.53Å; L371-C394 WeakPolarHBondContact O-CA 3.27Å; I373-C394 WeakPolarHBondContact CD1-SG 3.41Å; F391-C394 PolarHBondContact O-N 3.27Å; C394-I397 HydrophobicContact CB-CG1 4.22Å; C394-N417 CarbonylContact O-C 3.22Å; C394-L418 WeakPolarHBondContact O-CA 3.14Å; C394-L418 PolarHBondContact O-N 2.83Å
395	Y	95.8	Very high	93.4	Very high	99 Å²	99	43 Å²	43	39%	0.388	23%	0.231	S	C	.	.	S	Bend	trans	-93.4	-33.2	168.6	-73.5	-79.3	0	0	0	111.8	L371 N417 I419 K420	L371-Y395 HydrophobicContact CB-CD2 4.18Å; L371-Y395 HydrophobicContact CD2-CD2 4.03Å; L371-Y395 HydrophobicContact CD2-CE2 3.98Å; L371-Y395 PolarHBondContact O-N 3.45Å; Y395-N417 HydrophobicContact CD1-CB 4.27Å; Y395-N417 VanDerWaalsContact CD1-O 3.27Å; Y395-N417 WeakPolarHBondContact CD1-O 3.34Å; Y395-N417 HydrophobicContact CE1-CB 4.05Å; Y395-I419 HydrophobicContact CD1-CD1 3.5Å; Y395-I419 VanDerWaalsContact CD1-CD1 3.5Å; Y395-I419 HydrophobicContact CD1-CG1 3.94Å; Y395-I419 HydrophobicContact CE1-CD1 4.08Å; Y395-I419 PolarHBondContact O-N 2.85Å; Y395-K420 PolarHBondContact O-N 3.04Å
396	T	96.9	Very high	93.7	Very high	25 Å²	25	43.6 Å²	43.6	15%	0.153	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	131.2	-177.7	-52.5	0	0	0	0	110.8	L371 N372 I373 K420	L371-T396 PolarHBondContact O-N 3.43Å; N372-T396 VanDerWaalsContact OD1-CB 3.28Å; N372-T396 WeakPolarHBondContact OD1-CB 3.42Å; N372-T396 PolarHBondContact OD1-OG1 2.73Å; N372-T396 VanDerWaalsContact OD1-OG1 3.14Å; I373-T396 PolarHBondContact N-O 3.09Å; T396-K420 WeakPolarHBondContact CA-O 3.06Å; T396-K420 HydrophobicContact CG2-CB 4Å
397	I	97	Very high	94.4	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	116.3	169.5	-62.7	168.8	0	0	0	108.2	I373 F391 C394 M399 F412 L418 K420 L421 N422	I373-I397 WeakPolarHBondContact O-CA 3.14Å; F391-I397 HydrophobicContact CB-CD1 4.01Å; F391-I397 HydrophobicContact CD1-CD1 3.43Å; F391-I397 VanDerWaalsContact CD1-CD1 3.43Å; F391-I397 HydrophobicContact CD1-CG1 4.12Å; F391-I397 HydrophobicContact CD2-CD1 4.25Å; F391-I397 HydrophobicContact CE1-CD1 3.91Å; F391-I397 HydrophobicContact CE1-CG1 4.42Å; F391-I397 HydrophobicContact CG-CD1 3.63Å; F391-I397 HydrophobicContact CZ-CD1 4.5Å; C394-I397 HydrophobicContact CB-CG1 4.22Å; I397-M399 HydrophobicContact CG2-CG 3.92Å; I397-M399 HydrophobicContact CG2-SD 4.23Å; I397-F412 HydrophobicContact CD1-CD1 4.46Å; I397-F412 HydrophobicContact CD1-CE1 3.95Å; I397-L418 HydrophobicContact CB-CD1 4.21Å; I397-L418 HydrophobicContact CD1-CD1 3.66Å; I397-L418 HydrophobicContact CD1-CD2 4.07Å; I397-L418 HydrophobicContact CG1-CD1 3.67Å; I397-K420 PolarHBondContact N-O 3.09Å; I397-L421 HydrophobicContact CB-CD1 4.03Å; I397-L421 HydrophobicContact CG2-CD1 4.03Å; I397-N422 PolarHBondContact O-N 2.86Å
398	N	98.3	Very high	94.8	Very high	38 Å²	38	40.4 Å²	40.4	20%	0.203	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	120.5	173	-57.6	-48.6	0	0	0	109.6	I373 T374 L375 S376 N422	I373-N398 PolarHBondContact O-N 2.62Å; T374-N398 WeakPolarHBondContact CA-O 3.44Å; T374-N398 HydrophobicContact CG2-CB 4.1Å; T374-N398 PolarHBondContact OG1-ND2 2.86Å; L375-N398 PolarHBondContact N-O 2.91Å; S376-N398 WeakPolarHBondContact OG-CB 3.28Å; N398-N422 WeakPolarHBondContact OD1-CB 3.26Å
399	M	98.1	Very high	94.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.228	C	C	.	.			trans	-134.1	28.3	175.9	-60.3	-171.6	74	0	0	110.8	L375 F380 F383 P384 I397 N402 I404 N422 L423 N426	L375-M399 HydrophobicContact CB-CE 4.42Å; L375-M399 HydrophobicContact CB-CG 4.17Å; L375-M399 HydrophobicContact CD1-CE 3.64Å; L375-M399 HydrophobicContact CD1-CG 4.24Å; L375-M399 HydrophobicContact CD1-SD 4.18Å; L375-M399 HydrophobicContact CG-CG 4.44Å; F380-M399 HydrophobicContact CG-CE 4.49Å; F383-M399 HydrophobicContact CD1-SD 3.83Å; F383-M399 HydrophobicContact CE1-SD 3.69Å; F383-M399 HydrophobicContact CG-SD 4.44Å; F383-M399 HydrophobicContact CZ-SD 4.19Å; P384-M399 HydrophobicContact CG-CE 4.34Å; I397-M399 HydrophobicContact CG2-CG 3.92Å; I397-M399 HydrophobicContact CG2-SD 4.23Å; M399-N402 PolarHBondContact O-ND2 3.44Å; M399-I404 HydrophobicContact CB-CD1 3.88Å; M399-I404 HydrophobicContact CE-CD1 3.51Å; M399-I404 HydrophobicContact SD-CD1 4.1Å; M399-N422 PolarHBondContact N-O 3.07Å; M399-L423 HydrophobicContact CB-CD2 4.03Å; M399-N426 PolarHBondContact O-ND2 3.09Å
400	D	98.5	Very high	94.8	Very high	19 Å²	19	43.8 Å²	43.8	10%	0.102	22%	0.22	C	C	.	.			trans	-70.7	156.8	-178.9	61.6	-74.5	0	0	0	113.6	S376 R377 N402 N422 R424	S376-D400 CarbonylContact C-O 3.52Å; S376-D400 WeakPolarHBondContact CA-O 3.46Å; S376-D400 VanDerWaalsContact CB-O 3.31Å; S376-D400 WeakPolarHBondContact CB-O 3.13Å; S376-D400 WeakPolarHBondContact CB-OD1 3.47Å; S376-D400 PolarHBondContact OG-OD1 3.41Å; R377-D400 PolarHBondContact N-O 3Å; D400-N402 PolarHBondContact O-ND2 2.82Å; D400-N422 PolarHBondContact OD1-ND2 3.23Å; D400-R424 CarbonylContact C-O 3.59Å; D400-R424 WeakPolarHBondContact CA-O 2.91Å; D400-R424 HydrophobicContact CB-CB 3.96Å; D400-R424 WeakPolarHBondContact CB-O 3.34Å
401	H	98.6	Very high	94.9	Very high	42 Å²	42	43.9 Å²	43.9	19%	0.194	22%	0.221	C	C	.	.	S	Bend	trans	55.6	55.3	-176.3	-54.3	76.9	0	0	0	111.5	R377 N378 R424 D425	R377-H401 WeakPolarHBondContact CA-O 3.45Å; R377-H401 HydrophobicContact CB-CB 4.44Å; R377-H401 HydrophobicContact CG-CB 3.72Å; R377-H401 PolarHBondContact N-O 3.49Å; R377-H401 PolarHBondContact NH1-CD2 2.92Å; R377-H401 VanDerWaalsContact NH1-CD2 3.34Å; R377-H401 PolarHBondContact NH2-CE1 3.23Å; R377-H401 PolarHBondContact NH2-NE2 3.47Å; R377-H401 VanDerWaalsContact NH2-NE2 3.14Å; N378-H401 PolarHBondContact N-O 2.84Å; H401-R424 PolarHBondContact N-O 3.22Å; H401-D425 CarbonylContact C-O 3.46Å; H401-D425 WeakPolarHBondContact CA-O 3.21Å; H401-D425 HydrophobicContact CB-CB 4.48Å; H401-D425 IonicContact CD2-OD2 2.94Å; H401-D425 PolarHBondContact CD2-OD2 2.96Å; H401-D425 IonicContact CG-OD2 3.51Å; H401-D425 PolarHBondContact N-O 2.82Å; H401-D425 IonicContact NE2-OD2 3.76Å
402	N	98.4	Very high	94.9	Very high	12 Å²	12	44.1 Å²	44.1	6%	0.064	22%	0.222	C	C	.	.	S	Bend	trans	-127.8	-168.2	173.7	-84.2	-74.8	0	0	0	109.2	L375 N378 F380 M399 D400 I404 D425 N426	L375-N402 PolarHBondContact O-ND2 2.96Å; N378-N402 WeakPolarHBondContact CA-OD1 3.41Å; N378-N402 VanDerWaalsContact CB-OD1 3.29Å; N378-N402 WeakPolarHBondContact CB-OD1 3.34Å; N378-N402 PolarHBondContact N-OD1 2.79Å; N378-N402 PolarHBondContact O-OD1 2.89Å; N378-N402 VanDerWaalsContact O-OD1 3.08Å; F380-N402 HydrophobicContact CB-CB 4.3Å; F380-N402 WeakPolarHBondContact CB-OD1 3.44Å; F380-N402 WeakPolarHBondContact CD2-OD1 3.29Å; F380-N402 PolarHBondContact N-OD1 3.28Å; M399-N402 PolarHBondContact O-ND2 3.44Å; D400-N402 PolarHBondContact O-ND2 2.82Å; N402-I404 HydrophobicContact CB-CD1 4.29Å; N402-I404 HydrophobicContact CB-CG1 4.09Å; N402-D425 PolarHBondContact N-O 2.8Å; N402-D425 VanDerWaalsContact O-O 3.11Å; N402-N426 WeakPolarHBondContact CA-OD1 3.42Å; N402-N426 WeakPolarHBondContact CB-OD1 3.29Å; N402-N426 PolarHBondContact O-OD1 3.07Å
403	E	97.7	Very high	95	Very high	111 Å²	111	43.1 Å²	43.1	52%	0.519	22%	0.223	S	C	.	.			trans	-118.2	28.6	178.7	-61.8	-173.2	-157.7	0	0	111.7	F380 T381 T405	F380-E403 CarbonylContact O-C 3.07Å; F380-E403 WeakPolarHBondContact O-CA 3.22Å; F380-E403 PolarHBondContact O-N 3.18Å; T381-E403 WeakPolarHBondContact CA-O 3.3Å; T381-E403 HydrophobicContact CG2-CB 4.14Å; E403-T405 PolarHBondContact O-N 3.13Å
404	I	97.6	Very high	95.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.221	C	C	.	.			trans	-66	123.4	-173.6	-59.4	168.7	0	0	0	109.8	F380 T381 F383 M399 N402 N406 L423 N426 A427 L428	F380-I404 HydrophobicContact CB-CG1 4.22Å; F380-I404 WeakPolarHBondContact O-CG1 3.21Å; F380-I404 PolarHBondContact O-N 3.27Å; F380-I404 VanDerWaalsContact O-N 3.14Å; T381-I404 WeakPolarHBondContact O-CA 3.27Å; F383-I404 HydrophobicContact CD2-CG2 3.86Å; F383-I404 HydrophobicContact CE2-CD1 4.41Å; F383-I404 HydrophobicContact CE2-CG2 3.82Å; M399-I404 HydrophobicContact CB-CD1 3.88Å; M399-I404 HydrophobicContact CE-CD1 3.51Å; M399-I404 HydrophobicContact SD-CD1 4.1Å; N402-I404 HydrophobicContact CB-CD1 4.29Å; N402-I404 HydrophobicContact CB-CG1 4.09Å; I404-N406 WeakPolarHBondContact CG2-O 3.49Å; I404-L423 HydrophobicContact CD1-CD2 4.32Å; I404-N426 HydrophobicContact CB-CB 4.36Å; I404-N426 WeakPolarHBondContact CB-OD1 3.46Å; I404-N426 VanDerWaalsContact CG1-OD1 3.3Å; I404-N426 WeakPolarHBondContact CG1-OD1 3.15Å; I404-N426 PolarHBondContact N-OD1 2.79Å; I404-A427 CarbonylContact O-C 3.15Å; I404-A427 VanDerWaalsContact O-C 3.25Å; I404-A427 WeakPolarHBondContact O-CA 3.01Å; I404-A427 PolarHBondContact O-N 3.09Å; I404-L428 HydrophobicContact CG2-CD2 4.01Å; I404-L428 PolarHBondContact O-N 2.92Å
405	T	95.7	Very high	95.1	Very high	64 Å²	64	42.4 Å²	42.4	39%	0.393	22%	0.221	S	C	.	.			trans	-94.4	-26	-177.1	54.3	0	0	0	0	113.8	T381 E403 A427	T381-T405 PolarHBondContact O-N 2.93Å; E403-T405 PolarHBondContact O-N 3.13Å; T405-A427 HydrophobicContact CG2-CB 4.12Å
406	N	93.4	Very high	94.8	Very high	74 Å²	74	41.1 Å²	41.1	40%	0.396	23%	0.226	S	C	.	.			trans	-150	161.6	-180	63.4	4.5	0	0	0	112.3	I404	I404-N406 WeakPolarHBondContact CG2-O 3.49Å
407	I	93.8	Very high	94.7	Very high	11 Å²	11	42.4 Å²	42.4	6%	0.056	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-101.9	123.1	170.1	-49.5	-178.2	0	0	0	107.5	F383 V411 F412 L423 L428 L431 I432	F383-I407 HydrophobicContact CE2-CB 4.12Å; F383-I407 HydrophobicContact CE2-CG1 3.91Å; F383-I407 HydrophobicContact CE2-CG2 3.97Å; F383-I407 HydrophobicContact CZ-CG1 4.27Å; F383-I407 HydrophobicContact CZ-CG2 3.98Å; I407-V411 HydrophobicContact CG2-CG1 3.7Å; I407-F412 HydrophobicContact CG2-CD2 4.44Å; I407-F412 HydrophobicContact CG2-CE2 3.69Å; I407-F412 HydrophobicContact CG2-CZ 4.31Å; I407-L423 HydrophobicContact CD1-CD1 3.66Å; I407-L423 HydrophobicContact CG1-CD1 4.34Å; I407-L428 HydrophobicContact CD1-CD1 4.39Å; I407-L428 HydrophobicContact CG1-CD1 4.39Å; I407-L428 HydrophobicContact CG1-CD2 3.99Å; I407-L431 HydrophobicContact CD1-CD1 3.82Å; I407-I432 HydrophobicContact CB-CD1 3.92Å; I407-I432 HydrophobicContact CB-CG1 4.12Å; I407-I432 HydrophobicContact CB-CG2 4.24Å; I407-I432 HydrophobicContact CG2-CD1 3.42Å; I407-I432 VanDerWaalsContact CG2-CD1 3.42Å; I407-I432 HydrophobicContact CG2-CG1 4.09Å; I407-I432 VanDerWaalsContact O-CG2 3.25Å; I407-I432 WeakPolarHBondContact O-CG2 3.14Å
408	P	92.5	Very high	94.6	Very high	51 Å²	51	42.4 Å²	42.4	33%	0.331	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-64.3	144.5	179.4	-18.9	29.3	0	0	0	112.1	F383 S410 V411	F383-P408 HydrophobicContact CB-CG 3.81Å; F383-P408 VanDerWaalsContact CD2-CD 3.46Å; F383-P408 HydrophobicContact CD2-CG 4.41Å; F383-P408 HydrophobicContact CG-CG 4.26Å; P408-S410 PolarHBondContact O-N 3.16Å; P408-V411 HydrophobicContact CB-CB 4.22Å; P408-V411 WeakPolarHBondContact O-CB 3.25Å; P408-V411 VanDerWaalsContact O-CG1 3.24Å; P408-V411 WeakPolarHBondContact O-CG1 3.36Å; P408-V411 PolarHBondContact O-N 2.97Å
409	K	90.8	Very high	94.6	Very high	163 Å²	163	43.5 Å²	43.5	71%	0.709	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	137.1	177.5	-169.2	-179.8	179.4	176.4	0	111.2	V411 D435	K409-V411 PolarHBondContact O-N 2.78Å; K409-V411 VanDerWaalsContact O-N 3.13Å; K409-D435 VanDerWaalsContact CA-OD2 3.28Å; K409-D435 WeakPolarHBondContact CA-OD2 3.35Å; K409-D435 VanDerWaalsContact CG-OD2 3.31Å; K409-D435 WeakPolarHBondContact CG-OD2 3.18Å
410	S	90.8	Very high	94.6	Very high	42 Å²	42	47 Å²	47	29%	0.294	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	16	178.6	-53.9	0	0	0	0	114.6	P388 P408 F412 S413 D435	P388-S410 WeakPolarHBondContact CG-O 3.14Å; P408-S410 PolarHBondContact O-N 3.16Å; S410-F412 PolarHBondContact O-N 2.76Å; S410-S413 WeakPolarHBondContact O-CB 3.25Å; S410-S413 PolarHBondContact O-N 3.16Å; S410-S413 VanDerWaalsContact O-N 3.14Å; S410-S413 PolarHBondContact O-OG 3.39Å; S410-D435 PolarHBondContact N-OD2 3.14Å
411	V	92.3	Very high	94.6	Very high	11 Å²	11	46.4 Å²	46.4	7%	0.067	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-26.8	179.9	71.6	0	0	0	0	112.4	F383 F391 I407 P408 K409	F383-V411 HydrophobicContact CD1-CG2 4.34Å; F391-V411 HydrophobicContact CD2-CG2 4.07Å; F391-V411 HydrophobicContact CE2-CG2 3.71Å; I407-V411 HydrophobicContact CG2-CG1 3.7Å; P408-V411 HydrophobicContact CB-CB 4.22Å; P408-V411 WeakPolarHBondContact O-CB 3.25Å; P408-V411 VanDerWaalsContact O-CG1 3.24Å; P408-V411 WeakPolarHBondContact O-CG1 3.36Å; P408-V411 PolarHBondContact O-N 2.97Å; K409-V411 PolarHBondContact O-N 2.78Å; K409-V411 VanDerWaalsContact O-N 3.13Å
412	F	92.7	Very high	94.6	Very high	5 Å²	5	45.9 Å²	45.9	2%	0.022	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	11.1	180	-57.2	-54	0	0	0	113.7	F383 F391 I397 I407 S410 L414 A415 L418 L421 L439	F383-F412 HydrophobicContact CE1-CE1 4.14Å; F383-F412 AromaticContact CE1-CZ 3.64Å; F383-F412 HydrophobicContact CE1-CZ 3.64Å; F383-F412 AromaticContact CZ-CZ 3.98Å; F383-F412 HydrophobicContact CZ-CZ 3.98Å; F391-F412 HydrophobicContact CD2-CD1 4.11Å; F391-F412 HydrophobicContact CD2-CE1 4.11Å; F391-F412 HydrophobicContact CE2-CE1 4.35Å; I397-F412 HydrophobicContact CD1-CD1 4.46Å; I397-F412 HydrophobicContact CD1-CE1 3.95Å; I407-F412 HydrophobicContact CG2-CD2 4.44Å; I407-F412 HydrophobicContact CG2-CE2 3.69Å; I407-F412 HydrophobicContact CG2-CZ 4.31Å; S410-F412 PolarHBondContact O-N 2.76Å; F412-L414 PolarHBondContact O-N 3.37Å; F412-A415 HydrophobicContact CB-CB 4.12Å; F412-A415 HydrophobicContact CD1-CB 4.32Å; F412-A415 WeakPolarHBondContact O-CB 3.08Å; F412-A415 PolarHBondContact O-N 3.04Å; F412-L418 HydrophobicContact CD1-CD2 4.25Å; F412-L418 HydrophobicContact CE1-CD2 4.39Å; F412-L421 HydrophobicContact CE1-CD1 4.48Å; F412-L421 HydrophobicContact CE2-CD2 3.83Å; F412-L421 HydrophobicContact CZ-CD1 4.01Å; F412-L421 HydrophobicContact CZ-CD2 3.82Å; F412-L439 HydrophobicContact CB-CD2 3.66Å; F412-L439 HydrophobicContact CB-CG 4.3Å; F412-L439 HydrophobicContact CD2-CD1 4.07Å; F412-L439 HydrophobicContact CD2-CD2 4.27Å; F412-L439 HydrophobicContact CG-CD2 3.99Å
413	S	92.6	Very high	94.6	Very high	51 Å²	51	45.3 Å²	45.3	36%	0.357	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-22.2	-172	72.8	0	0	0	0	114.2	P388 S410 E438	P388-S413 WeakPolarHBondContact CB-OG 3.39Å; S410-S413 WeakPolarHBondContact O-CB 3.25Å; S410-S413 PolarHBondContact O-N 3.16Å; S410-S413 VanDerWaalsContact O-N 3.14Å; S410-S413 PolarHBondContact O-OG 3.39Å; S413-E438 WeakPolarHBondContact CA-OE2 3.31Å; S413-E438 VanDerWaalsContact CB-CD 3.47Å; S413-E438 WeakPolarHBondContact CB-OE1 3.31Å; S413-E438 WeakPolarHBondContact CB-OE2 3.07Å; S413-E438 PolarHBondContact N-OE2 3.42Å
414	L	92.8	Very high	94.6	Very high	72 Å²	72	44.8 Å²	44.8	38%	0.377	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-2.9	175.5	-60.7	-177.8	0	0	0	113.4	P388 Q389 Q392 F412 S416	P388-L414 HydrophobicContact CB-CB 4.46Å; P388-L414 HydrophobicContact CB-CD1 4.24Å; P388-L414 HydrophobicContact CB-CG 4.15Å; Q389-L414 HydrophobicContact CB-CD1 4.18Å; Q392-L414 WeakPolarHBondContact CA-O 3.14Å; Q392-L414 HydrophobicContact CB-CB 4.31Å; Q392-L414 HydrophobicContact CG-CB 4.41Å; F412-L414 PolarHBondContact O-N 3.37Å; L414-S416 PolarHBondContact O-N 3.26Å
415	A	92.5	Very high	94.7	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.008	26%	0.256	C	S	.	.			trans	-80	51	-176	0	0	0	0	0	112.5	F391 F412 N417 L418	F391-A415 HydrophobicContact CB-CB 3.93Å; F391-A415 WeakPolarHBondContact O-CA 3.18Å; F412-A415 HydrophobicContact CB-CB 4.12Å; F412-A415 HydrophobicContact CD1-CB 4.32Å; F412-A415 WeakPolarHBondContact O-CB 3.08Å; F412-A415 PolarHBondContact O-N 3.04Å; A415-N417 PolarHBondContact O-N 2.89Å; A415-L418 HydrophobicContact CB-CB 4.23Å; A415-L418 WeakPolarHBondContact O-CB 3.19Å; A415-L418 PolarHBondContact O-N 3.37Å; A415-L418 VanDerWaalsContact O-N 3.12Å
416	S	90.4	Very high	94.8	Very high	71 Å²	71	45.7 Å²	45.7	50%	0.497	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-7.9	-171.7	64.1	0	0	0	0	114.9	L414 T441	L414-S416 PolarHBondContact O-N 3.26Å; S416-T441 WeakPolarHBondContact O-CG2 3.47Å; S416-T441 PolarHBondContact O-OG1 3.32Å
417	N	93.9	Very high	95	Very high	53 Å²	53	42.7 Å²	42.7	28%	0.283	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	0.1	179.2	-61.1	-57.8	0	0	0	112.6	Q392 C394 Y395 A415 I419	Q392-N417 PolarHBondContact O-ND2 3.02Å; C394-N417 CarbonylContact O-C 3.22Å; Y395-N417 HydrophobicContact CD1-CB 4.27Å; Y395-N417 VanDerWaalsContact CD1-O 3.27Å; Y395-N417 WeakPolarHBondContact CD1-O 3.34Å; Y395-N417 HydrophobicContact CE1-CB 4.05Å; A415-N417 PolarHBondContact O-N 2.89Å; N417-I419 PolarHBondContact O-N 2.98Å; N417-I419 VanDerWaalsContact O-N 3.16Å
418	L	96.2	Very high	95.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.223	C	C	.	.			trans	-65.3	118.6	-173.9	-168.7	65.3	0	0	0	110	C394 I397 F412 A415 K420 L421 L439 T441 L442	C394-L418 WeakPolarHBondContact O-CA 3.14Å; C394-L418 PolarHBondContact O-N 2.83Å; I397-L418 HydrophobicContact CB-CD1 4.21Å; I397-L418 HydrophobicContact CD1-CD1 3.66Å; I397-L418 HydrophobicContact CD1-CD2 4.07Å; I397-L418 HydrophobicContact CG1-CD1 3.67Å; F412-L418 HydrophobicContact CD1-CD2 4.25Å; F412-L418 HydrophobicContact CE1-CD2 4.39Å; A415-L418 HydrophobicContact CB-CB 4.23Å; A415-L418 WeakPolarHBondContact O-CB 3.19Å; A415-L418 PolarHBondContact O-N 3.37Å; A415-L418 VanDerWaalsContact O-N 3.12Å; L418-K420 WeakPolarHBondContact CD1-O 3.48Å; L418-L421 HydrophobicContact CD2-CB 4.23Å; L418-L439 HydrophobicContact CB-CD2 4.47Å; L418-L439 HydrophobicContact CD2-CD2 3.78Å; L418-T441 PolarHBondContact N-OG1 2.81Å; L418-T441 CarbonylContact O-C 3.41Å; L418-T441 PolarHBondContact O-OG1 3.41Å; L418-L442 HydrophobicContact CD2-CD1 4.14Å; L418-L442 HydrophobicContact CG-CD1 3.96Å; L418-L442 WeakPolarHBondContact O-CA 3.26Å; L418-L442 PolarHBondContact O-N 3.18Å
419	I	97.8	Very high	95.3	Very high	60 Å²	60	44.3 Å²	44.3	31%	0.308	23%	0.232	S	C	.	.			trans	-101.9	-38.3	179.1	-66.5	177.2	0	0	0	109.9	Y395 N417 V443 E444	Y395-I419 HydrophobicContact CD1-CD1 3.5Å; Y395-I419 VanDerWaalsContact CD1-CD1 3.5Å; Y395-I419 HydrophobicContact CD1-CG1 3.94Å; Y395-I419 HydrophobicContact CE1-CD1 4.08Å; Y395-I419 PolarHBondContact O-N 2.85Å; N417-I419 PolarHBondContact O-N 2.98Å; N417-I419 VanDerWaalsContact O-N 3.16Å; I419-V443 HydrophobicContact CG2-CB 3.78Å; I419-V443 HydrophobicContact CG2-CG2 3.83Å; I419-V443 PolarHBondContact O-N 3.41Å; I419-E444 PolarHBondContact O-N 3.18Å
420	K	98.2	Very high	95.4	Very high	75 Å²	75	39.7 Å²	39.7	33%	0.326	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	126.6	-174.9	-56.7	-166	177.5	-147.5	0	111.4	Y395 T396 I397 L418 E444	Y395-K420 PolarHBondContact O-N 3.04Å; T396-K420 WeakPolarHBondContact CA-O 3.06Å; T396-K420 HydrophobicContact CG2-CB 4Å; I397-K420 PolarHBondContact N-O 3.09Å; L418-K420 WeakPolarHBondContact CD1-O 3.48Å; K420-E444 WeakPolarHBondContact CA-O 3.42Å; K420-E444 HydrophobicContact CB-CB 4.47Å; K420-E444 HydrophobicContact CD-CG 4.46Å; K420-E444 WeakPolarHBondContact CD-OE2 3.32Å; K420-E444 VanDerWaalsContact CE-OE1 3.26Å; K420-E444 WeakPolarHBondContact CE-OE1 3.28Å; K420-E444 VanDerWaalsContact CE-OE2 3.3Å; K420-E444 WeakPolarHBondContact CE-OE2 3.31Å; K420-E444 HydrophobicContact CG-CB 4.08Å; K420-E444 HydrophobicContact CG-CG 4.27Å; K420-E444 IonicContact NZ-OE1 2.69Å; K420-E444 PolarHBondContact NZ-OE1 2.95Å; K420-E444 IonicContact NZ-OE2 2.79Å; K420-E444 PolarHBondContact NZ-OE2 3.35Å
421	L	97.8	Very high	95.4	Very high	6 Å²	6	38.7 Å²	38.7	3%	0.031	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	114.7	172.7	178.7	59.1	0	0	0	109.1	I397 F412 L418 L423 L442 E444 L445 D446	I397-L421 HydrophobicContact CB-CD1 4.03Å; I397-L421 HydrophobicContact CG2-CD1 4.03Å; F412-L421 HydrophobicContact CE1-CD1 4.48Å; F412-L421 HydrophobicContact CE2-CD2 3.83Å; F412-L421 HydrophobicContact CZ-CD1 4.01Å; F412-L421 HydrophobicContact CZ-CD2 3.82Å; L418-L421 HydrophobicContact CD2-CB 4.23Å; L421-L423 HydrophobicContact CD1-CD1 4.16Å; L421-L423 HydrophobicContact CD1-CG 4.07Å; L421-L423 HydrophobicContact CD2-CD1 3.95Å; L421-L423 HydrophobicContact CG-CD1 3.98Å; L421-L423 HydrophobicContact CG-CG 4.17Å; L421-L442 HydrophobicContact CB-CD1 3.82Å; L421-E444 PolarHBondContact N-O 2.99Å; L421-L445 HydrophobicContact CB-CD1 4.15Å; L421-L445 HydrophobicContact CD2-CD1 4.03Å; L421-L445 HydrophobicContact CG-CD1 4.14Å; L421-L445 WeakPolarHBondContact O-CA 3.3Å; L421-D446 PolarHBondContact O-N 2.84Å
422	N	98.5	Very high	95	Very high	30 Å²	30	39.8 Å²	39.8	16%	0.16	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	113.3	178.1	-176.5	5.8	0	0	0	110.7	I397 N398 M399 D400 R424 D446	I397-N422 PolarHBondContact O-N 2.86Å; N398-N422 WeakPolarHBondContact OD1-CB 3.26Å; M399-N422 PolarHBondContact N-O 3.07Å; D400-N422 PolarHBondContact OD1-ND2 3.23Å; N422-R424 VanDerWaalsContact OD1-CB 3.27Å; N422-R424 WeakPolarHBondContact OD1-CB 3.16Å; N422-R424 PolarHBondContact OD1-N 3.44Å; N422-D446 HydrophobicContact CB-CB 4.36Å
423	L	98.2	Very high	94.6	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	22%	0.217	C	C	.	.			trans	-122.8	22.3	178.8	-68.1	166.9	0	0	0	111.1	F383 M399 I404 I407 L421 N426 L428 D446 L447 N450	F383-L423 HydrophobicContact CE2-CD2 4.18Å; F383-L423 HydrophobicContact CZ-CD1 4.31Å; F383-L423 HydrophobicContact CZ-CD2 3.71Å; M399-L423 HydrophobicContact CB-CD2 4.03Å; I404-L423 HydrophobicContact CD1-CD2 4.32Å; I407-L423 HydrophobicContact CD1-CD1 3.66Å; I407-L423 HydrophobicContact CG1-CD1 4.34Å; L421-L423 HydrophobicContact CD1-CD1 4.16Å; L421-L423 HydrophobicContact CD1-CG 4.07Å; L421-L423 HydrophobicContact CD2-CD1 3.95Å; L421-L423 HydrophobicContact CG-CD1 3.98Å; L421-L423 HydrophobicContact CG-CG 4.17Å; L423-N426 PolarHBondContact O-ND2 3.11Å; L423-L428 HydrophobicContact CB-CD1 4.04Å; L423-L428 HydrophobicContact CD1-CD1 4.05Å; L423-D446 CarbonylContact C-O 3.48Å; L423-D446 WeakPolarHBondContact CA-O 3.42Å; L423-D446 PolarHBondContact N-O 2.94Å; L423-L447 HydrophobicContact CB-CD2 4.07Å; L423-L447 HydrophobicContact CD1-CD2 4.11Å; L423-N450 PolarHBondContact O-ND2 3.48Å
424	R	98.4	Very high	94.3	Very high	100 Å²	100	41.4 Å²	41.4	38%	0.377	23%	0.227	S	C	.	.			trans	-58	146.8	178.9	178.9	-179.7	171	-173.3	-0.6	112.1	D400 H401 N422 N426 D446 G448	D400-R424 CarbonylContact C-O 3.59Å; D400-R424 WeakPolarHBondContact CA-O 2.91Å; D400-R424 HydrophobicContact CB-CB 3.96Å; D400-R424 WeakPolarHBondContact CB-O 3.34Å; H401-R424 PolarHBondContact N-O 3.22Å; N422-R424 VanDerWaalsContact OD1-CB 3.27Å; N422-R424 WeakPolarHBondContact OD1-CB 3.16Å; N422-R424 PolarHBondContact OD1-N 3.44Å; R424-N426 PolarHBondContact O-ND2 3.17Å; R424-D446 PolarHBondContact N-O 3.14Å; R424-G448 CarbonylContact C-O 3.17Å; R424-G448 WeakPolarHBondContact CA-O 3.43Å; R424-G448 WeakPolarHBondContact CG-O 3.39Å
425	D	98.4	Very high	94.2	Very high	71 Å²	71	38.5 Å²	38.5	38%	0.38	21%	0.212	S	C	.	.	S	Bend	trans	56.2	61.6	175.2	-164.5	20.9	0	0	0	111	H401 N402 G448 S449	H401-D425 CarbonylContact C-O 3.46Å; H401-D425 WeakPolarHBondContact CA-O 3.21Å; H401-D425 HydrophobicContact CB-CB 4.48Å; H401-D425 IonicContact CD2-OD2 2.94Å; H401-D425 PolarHBondContact CD2-OD2 2.96Å; H401-D425 IonicContact CG-OD2 3.51Å; H401-D425 PolarHBondContact N-O 2.82Å; H401-D425 IonicContact NE2-OD2 3.76Å; N402-D425 PolarHBondContact N-O 2.8Å; N402-D425 VanDerWaalsContact O-O 3.11Å; D425-G448 PolarHBondContact N-O 3.34Å; D425-S449 VanDerWaalsContact CA-O 3.25Å; D425-S449 WeakPolarHBondContact CA-O 3.32Å; D425-S449 PolarHBondContact N-O 3.42Å
426	N	98.4	Very high	94.1	Very high	12 Å²	12	38.6 Å²	38.6	6%	0.064	21%	0.212	C	C	.	.	S	Bend	trans	-131.1	-169.1	175.1	-86.5	-75.6	0	0	0	109.2	M399 N402 I404 L423 R424 L428 S449 N450	M399-N426 PolarHBondContact O-ND2 3.09Å; N402-N426 WeakPolarHBondContact CA-OD1 3.42Å; N402-N426 WeakPolarHBondContact CB-OD1 3.29Å; N402-N426 PolarHBondContact O-OD1 3.07Å; I404-N426 HydrophobicContact CB-CB 4.36Å; I404-N426 WeakPolarHBondContact CB-OD1 3.46Å; I404-N426 VanDerWaalsContact CG1-OD1 3.3Å; I404-N426 WeakPolarHBondContact CG1-OD1 3.15Å; I404-N426 PolarHBondContact N-OD1 2.79Å; L423-N426 PolarHBondContact O-ND2 3.11Å; R424-N426 PolarHBondContact O-ND2 3.17Å; N426-L428 HydrophobicContact CB-CG 4.38Å; N426-S449 PolarHBondContact N-O 3.03Å; N426-N450 WeakPolarHBondContact CA-OD1 3.47Å; N426-N450 WeakPolarHBondContact CB-OD1 3.17Å; N426-N450 PolarHBondContact O-OD1 3.17Å
427	A	97.7	Very high	94.1	Very high	11 Å²	11	39.6 Å²	39.6	9%	0.091	21%	0.209	C	C	.	.			trans	-115.1	25.6	-178.9	0	0	0	0	0	112.9	I404 T405 D429	I404-A427 CarbonylContact O-C 3.15Å; I404-A427 VanDerWaalsContact O-C 3.25Å; I404-A427 WeakPolarHBondContact O-CA 3.01Å; I404-A427 PolarHBondContact O-N 3.09Å; T405-A427 HydrophobicContact CG2-CB 4.12Å; A427-D429 PolarHBondContact O-N 3.47Å
428	L	97.3	Very high	93.9	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	21%	0.205	C	C	.	.			trans	-65.6	124.8	-178.8	-59.4	173.4	0	0	0	110.4	I404 I407 L423 N426 L447 N450 R451 L452	I404-L428 HydrophobicContact CG2-CD2 4.01Å; I404-L428 PolarHBondContact O-N 2.92Å; I407-L428 HydrophobicContact CD1-CD1 4.39Å; I407-L428 HydrophobicContact CG1-CD1 4.39Å; I407-L428 HydrophobicContact CG1-CD2 3.99Å; L423-L428 HydrophobicContact CB-CD1 4.04Å; L423-L428 HydrophobicContact CD1-CD1 4.05Å; N426-L428 HydrophobicContact CB-CG 4.38Å; L428-L447 HydrophobicContact CD1-CD2 3.87Å; L428-N450 HydrophobicContact CB-CB 4.31Å; L428-N450 VanDerWaalsContact CB-OD1 3.29Å; L428-N450 WeakPolarHBondContact CB-OD1 3.16Å; L428-N450 WeakPolarHBondContact CG-OD1 3.37Å; L428-N450 PolarHBondContact N-OD1 2.94Å; L428-R451 CarbonylContact O-C 3.56Å; L428-R451 VanDerWaalsContact O-C 3.3Å; L428-R451 VanDerWaalsContact O-CA 3.29Å; L428-R451 WeakPolarHBondContact O-CA 3.21Å; L428-R451 WeakPolarHBondContact O-CB 3.22Å; L428-R451 PolarHBondContact O-N 2.95Å; L428-L452 HydrophobicContact CB-CD2 4.29Å; L428-L452 PolarHBondContact O-N 2.82Å
429	D	94.9	Very high	93.8	Very high	94 Å²	94	39.3 Å²	39.3	50%	0.503	21%	0.206	S	C	.	.			trans	-97.1	-18.6	175.3	60.5	14.8	0	0	0	113.3	A427	A427-D429 PolarHBondContact O-N 3.47Å
430	S	93.6	Very high	93.5	Very high	67 Å²	67	42.9 Å²	42.9	47%	0.469	22%	0.219	S	C	.	.			trans	-152.5	157	-176.1	55.5	0	0	0	0	111.2
431	L	91	Very high	93.4	Very high	21 Å²	21	41.8 Å²	41.8	11%	0.11	22%	0.219	C	C	.	.			trans	-105.4	145.7	174.8	-171.5	62.9	0	0	0	109.9	I407 G433 L436 L447 P456 I459	I407-L431 HydrophobicContact CD1-CD1 3.82Å; L431-G433 VanDerWaalsContact C-N 3.26Å; L431-G433 PolarHBondContact O-N 2.92Å; L431-L436 HydrophobicContact CD1-CD2 4.4Å; L431-L436 HydrophobicContact CD2-CD1 3.81Å; L431-L436 HydrophobicContact CD2-CD2 3.95Å; L431-L436 HydrophobicContact CD2-CG 4.43Å; L431-L436 HydrophobicContact CG-CD1 4.35Å; L431-L436 HydrophobicContact CG-CD2 4.1Å; L431-L447 HydrophobicContact CD1-CD1 4.26Å; L431-L447 HydrophobicContact CD2-CD1 4.23Å; L431-P456 HydrophobicContact CB-CG 4.17Å; L431-P456 HydrophobicContact CD2-CG 4.1Å; L431-P456 HydrophobicContact CG-CG 4.36Å; L431-I459 HydrophobicContact CD2-CD1 4.38Å
432	I	84.6	Confident	93.4	Very high	33 Å²	33	41.5 Å²	41.5	17%	0.169	22%	0.218	C	C	.	.			trans	-74.2	73	177.2	50.4	173	0	0	0	112	I407 D435 L436	I407-I432 HydrophobicContact CB-CD1 3.92Å; I407-I432 HydrophobicContact CB-CG1 4.12Å; I407-I432 HydrophobicContact CB-CG2 4.24Å; I407-I432 HydrophobicContact CG2-CD1 3.42Å; I407-I432 VanDerWaalsContact CG2-CD1 3.42Å; I407-I432 HydrophobicContact CG2-CG1 4.09Å; I407-I432 VanDerWaalsContact O-CG2 3.25Å; I407-I432 WeakPolarHBondContact O-CG2 3.14Å; I432-D435 HydrophobicContact CB-CB 4.39Å; I432-D435 HydrophobicContact CD1-CB 3.81Å; I432-D435 HydrophobicContact CG1-CB 4.19Å; I432-D435 PolarHBondContact O-N 3.09Å; I432-L436 PolarHBondContact O-N 3Å
433	G	83.2	Confident	93.4	Very high	4 Å²	4	41.5 Å²	41.5	4%	0.041	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-42.9	-52.9	-178.5	0	0	0	0	0	114.4	L431 D435 L436 E458	L431-G433 VanDerWaalsContact C-N 3.26Å; L431-G433 PolarHBondContact O-N 2.92Å; G433-D435 PolarHBondContact O-N 2.79Å; G433-D435 VanDerWaalsContact O-N 3.09Å; G433-L436 PolarHBondContact O-N 2.79Å; G433-E458 WeakPolarHBondContact O-CB 3.47Å
434	P	87.3	Confident	93.4	Very high	87 Å²	87	43.8 Å²	43.8	57%	0.565	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-59.7	-23.6	-178.1	-27.8	36.5	0	0	0	115.2	H437	P434-H437 PolarHBondContact O-CE1 2.97Å; P434-H437 PolarHBondContact O-ND1 3.39Å
435	D	89.4	Confident	93.4	Very high	10 Å²	10	39.2 Å²	39.2	5%	0.053	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-99.6	-6.8	-174	-61.2	-10.7	0	0	0	112.2	K409 S410 I432 G433 H437 E438	K409-D435 VanDerWaalsContact CA-OD2 3.28Å; K409-D435 WeakPolarHBondContact CA-OD2 3.35Å; K409-D435 VanDerWaalsContact CG-OD2 3.31Å; K409-D435 WeakPolarHBondContact CG-OD2 3.18Å; S410-D435 PolarHBondContact N-OD2 3.14Å; I432-D435 HydrophobicContact CB-CB 4.39Å; I432-D435 HydrophobicContact CD1-CB 3.81Å; I432-D435 HydrophobicContact CG1-CB 4.19Å; I432-D435 PolarHBondContact O-N 3.09Å; G433-D435 PolarHBondContact O-N 2.79Å; G433-D435 VanDerWaalsContact O-N 3.09Å; D435-H437 PolarHBondContact O-N 3.1Å; D435-E438 VanDerWaalsContact O-CB 3.3Å; D435-E438 WeakPolarHBondContact O-CB 3.5Å; D435-E438 WeakPolarHBondContact O-CG 3.27Å; D435-E438 PolarHBondContact O-N 2.63Å
436	L	90.7	Very high	93.4	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.016	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-60	-22.1	177.4	-65.1	-179.5	0	0	0	113.2	L431 I432 G433 E438 L439 P456 E458 I459 L462	L431-L436 HydrophobicContact CD1-CD2 4.4Å; L431-L436 HydrophobicContact CD2-CD1 3.81Å; L431-L436 HydrophobicContact CD2-CD2 3.95Å; L431-L436 HydrophobicContact CD2-CG 4.43Å; L431-L436 HydrophobicContact CG-CD1 4.35Å; L431-L436 HydrophobicContact CG-CD2 4.1Å; I432-L436 PolarHBondContact O-N 3Å; G433-L436 PolarHBondContact O-N 2.79Å; L436-E438 PolarHBondContact O-N 2.98Å; L436-L439 HydrophobicContact CD2-CD1 4.44Å; L436-L439 PolarHBondContact O-N 3.19Å; L436-P456 HydrophobicContact CD1-CG 3.77Å; L436-E458 HydrophobicContact CD1-CB 4.44Å; L436-I459 HydrophobicContact CD1-CD1 4.26Å; L436-L462 HydrophobicContact CB-CD2 4.33Å; L436-L462 HydrophobicContact CD2-CD2 4.44Å; L436-L462 WeakPolarHBondContact O-CD2 3.46Å
437	H	90.6	Very high	93.4	Very high	92 Å²	92	36.1 Å²	36.1	43%	0.426	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-67.1	-14.7	174.9	76	-81.4	0	0	0	114.3	P434 D435 K440 K461	P434-H437 PolarHBondContact O-CE1 2.97Å; P434-H437 PolarHBondContact O-ND1 3.39Å; D435-H437 PolarHBondContact O-N 3.1Å; H437-K440 WeakPolarHBondContact O-CE 3.33Å; H437-K440 WeakPolarHBondContact O-CG 3.47Å; H437-K461 HydrophobicContact CB-CB 4.15Å; H437-K461 HydrophobicContact CB-CG 4.13Å
438	E	90	Very high	93.4	Very high	43 Å²	43	35.6 Å²	35.6	20%	0.201	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-78.4	-29.2	176.8	-57.6	180	153.9	0	0	111	S413 D435 L436 K440	S413-E438 WeakPolarHBondContact CA-OE2 3.31Å; S413-E438 VanDerWaalsContact CB-CD 3.47Å; S413-E438 WeakPolarHBondContact CB-OE1 3.31Å; S413-E438 WeakPolarHBondContact CB-OE2 3.07Å; S413-E438 PolarHBondContact N-OE2 3.42Å; D435-E438 VanDerWaalsContact O-CB 3.3Å; D435-E438 WeakPolarHBondContact O-CB 3.5Å; D435-E438 WeakPolarHBondContact O-CG 3.27Å; D435-E438 PolarHBondContact O-N 2.63Å; L436-E438 PolarHBondContact O-N 2.98Å; E438-K440 VanDerWaalsContact C-N 3.3Å; E438-K440 PolarHBondContact O-N 3.25Å; E438-K440 VanDerWaalsContact O-N 3.09Å
439	L	93.4	Very high	93.5	Very high	5 Å²	5	37 Å²	37	3%	0.026	20%	0.201	C	C	.	.			trans	-88.7	44.1	-171.9	-64.9	177.2	0	0	0	113.7	F412 L418 L436 T441 L442 L462	F412-L439 HydrophobicContact CB-CD2 3.66Å; F412-L439 HydrophobicContact CB-CG 4.3Å; F412-L439 HydrophobicContact CD2-CD1 4.07Å; F412-L439 HydrophobicContact CD2-CD2 4.27Å; F412-L439 HydrophobicContact CG-CD2 3.99Å; L418-L439 HydrophobicContact CB-CD2 4.47Å; L418-L439 HydrophobicContact CD2-CD2 3.78Å; L436-L439 HydrophobicContact CD2-CD1 4.44Å; L436-L439 PolarHBondContact O-N 3.19Å; L439-T441 PolarHBondContact O-N 3.39Å; L439-L442 HydrophobicContact CB-CB 4.12Å; L439-L442 HydrophobicContact CB-CD2 4.4Å; L439-L442 HydrophobicContact CD1-CD2 4.22Å; L439-L442 VanDerWaalsContact O-CB 3.28Å; L439-L442 WeakPolarHBondContact O-CB 3.47Å; L439-L442 PolarHBondContact O-N 3.28Å; L439-L442 VanDerWaalsContact O-N 3.13Å; L439-L462 HydrophobicContact CB-CD2 3.59Å
440	K	92.3	Very high	93.7	Very high	135 Å²	135	33 Å²	33	59%	0.587	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-21	-173.5	-61.8	-178.9	-174.8	172.3	0	114.6	H437 E438 A464	H437-K440 WeakPolarHBondContact O-CE 3.33Å; H437-K440 WeakPolarHBondContact O-CG 3.47Å; E438-K440 VanDerWaalsContact C-N 3.3Å; E438-K440 PolarHBondContact O-N 3.25Å; E438-K440 VanDerWaalsContact O-N 3.09Å; K440-A464 WeakPolarHBondContact O-CB 3.5Å
441	T	95.9	Very high	93.9	Very high	52 Å²	52	35.7 Å²	35.7	32%	0.319	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-5.4	179.1	52.6	0	0	0	0	113.4	S416 L418 L439 V443	S416-T441 WeakPolarHBondContact O-CG2 3.47Å; S416-T441 PolarHBondContact O-OG1 3.32Å; L418-T441 PolarHBondContact N-OG1 2.81Å; L418-T441 CarbonylContact O-C 3.41Å; L418-T441 PolarHBondContact O-OG1 3.41Å; L439-T441 PolarHBondContact O-N 3.39Å; T441-V443 PolarHBondContact O-N 2.94Å
442	L	97.5	Very high	94.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.174	C	C	.	.			trans	-67.5	121.4	-173.9	-164.8	74.8	0	0	0	110.3	L418 L421 L439 L445 L462 A464 L465	L418-L442 HydrophobicContact CD2-CD1 4.14Å; L418-L442 HydrophobicContact CG-CD1 3.96Å; L418-L442 WeakPolarHBondContact O-CA 3.26Å; L418-L442 PolarHBondContact O-N 3.18Å; L421-L442 HydrophobicContact CB-CD1 3.82Å; L439-L442 HydrophobicContact CB-CB 4.12Å; L439-L442 HydrophobicContact CB-CD2 4.4Å; L439-L442 HydrophobicContact CD1-CD2 4.22Å; L439-L442 VanDerWaalsContact O-CB 3.28Å; L439-L442 WeakPolarHBondContact O-CB 3.47Å; L439-L442 PolarHBondContact O-N 3.28Å; L439-L442 VanDerWaalsContact O-N 3.13Å; L442-L445 HydrophobicContact CD2-CB 3.91Å; L442-L445 HydrophobicContact CD2-CD1 4.25Å; L442-L445 HydrophobicContact CD2-CD2 4.33Å; L442-L445 HydrophobicContact CD2-CG 4.39Å; L442-L462 HydrophobicContact CD2-CD1 4.37Å; L442-L462 HydrophobicContact CD2-CD2 4.24Å; L442-A464 CarbonylContact O-C 3.39Å; L442-L465 HydrophobicContact CD2-CD1 4.24Å; L442-L465 HydrophobicContact CG-CD1 4.25Å; L442-L465 VanDerWaalsContact O-CA 3.31Å; L442-L465 WeakPolarHBondContact O-CA 3.18Å; L442-L465 PolarHBondContact O-N 3.45Å; L442-L465 VanDerWaalsContact O-N 3.16Å
443	V	98.5	Very high	94.7	Very high	29 Å²	29	36 Å²	36	18%	0.176	19%	0.187	C	C	.	.			trans	-102.8	-37.1	-179.3	177.3	0	0	0	0	110.7	I419 T441 E466 V467	I419-V443 HydrophobicContact CG2-CB 3.78Å; I419-V443 HydrophobicContact CG2-CG2 3.83Å; I419-V443 PolarHBondContact O-N 3.41Å; T441-V443 PolarHBondContact O-N 2.94Å; V443-E466 HydrophobicContact CG1-CB 3.77Å; V443-E466 HydrophobicContact CG1-CG 3.82Å; V443-E466 PolarHBondContact O-N 2.99Å; V443-V467 PolarHBondContact O-N 3.01Å
444	E	98.7	Very high	95.4	Very high	50 Å²	50	42.4 Å²	42.4	23%	0.234	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	123	-179.7	-53.5	-176.3	-168.5	0	0	110.6	I419 K420 L421 V467	I419-E444 PolarHBondContact O-N 3.18Å; K420-E444 WeakPolarHBondContact CA-O 3.42Å; K420-E444 HydrophobicContact CB-CB 4.47Å; K420-E444 HydrophobicContact CD-CG 4.46Å; K420-E444 WeakPolarHBondContact CD-OE2 3.32Å; K420-E444 VanDerWaalsContact CE-OE1 3.26Å; K420-E444 WeakPolarHBondContact CE-OE1 3.28Å; K420-E444 VanDerWaalsContact CE-OE2 3.3Å; K420-E444 WeakPolarHBondContact CE-OE2 3.31Å; K420-E444 HydrophobicContact CG-CB 4.08Å; K420-E444 HydrophobicContact CG-CG 4.27Å; K420-E444 IonicContact NZ-OE1 2.69Å; K420-E444 PolarHBondContact NZ-OE1 2.95Å; K420-E444 IonicContact NZ-OE2 2.79Å; K420-E444 PolarHBondContact NZ-OE2 3.35Å; L421-E444 PolarHBondContact N-O 2.99Å; E444-V467 WeakPolarHBondContact CA-O 3.37Å; E444-V467 HydrophobicContact CB-CB 4.23Å; E444-V467 HydrophobicContact CG-CB 3.97Å; E444-V467 HydrophobicContact CG-CG2 4.06Å
445	L	98.3	Very high	95.8	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.021	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	116.2	173.8	178.8	56.2	0	0	0	109.1	L421 L442 L447 L462 L465 V467 L468 R469	L421-L445 HydrophobicContact CB-CD1 4.15Å; L421-L445 HydrophobicContact CD2-CD1 4.03Å; L421-L445 HydrophobicContact CG-CD1 4.14Å; L421-L445 WeakPolarHBondContact O-CA 3.3Å; L442-L445 HydrophobicContact CD2-CB 3.91Å; L442-L445 HydrophobicContact CD2-CD1 4.25Å; L442-L445 HydrophobicContact CD2-CD2 4.33Å; L442-L445 HydrophobicContact CD2-CG 4.39Å; L445-L447 HydrophobicContact CD1-CD1 4.16Å; L445-L447 HydrophobicContact CD1-CD2 4.45Å; L445-L447 HydrophobicContact CD1-CG 3.97Å; L445-L447 HydrophobicContact CD2-CD1 3.84Å; L445-L447 HydrophobicContact CG-CD1 3.92Å; L445-L447 HydrophobicContact CG-CG 4.05Å; L445-L462 HydrophobicContact CD2-CD1 3.78Å; L445-L465 HydrophobicContact CB-CD1 3.78Å; L445-V467 PolarHBondContact N-O 2.98Å; L445-L468 HydrophobicContact CB-CD1 4.17Å; L445-L468 HydrophobicContact CD2-CD1 4.03Å; L445-L468 HydrophobicContact CG-CD1 4.12Å; L445-L468 WeakPolarHBondContact O-CA 3.37Å; L445-R469 PolarHBondContact O-N 2.93Å
446	D	98.6	Very high	96.1	Very high	17 Å²	17	39.4 Å²	39.4	9%	0.091	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	112.4	176	-162.6	-25.1	0	0	0	110.2	L421 N422 L423 R424 G448 R469	L421-D446 PolarHBondContact O-N 2.84Å; N422-D446 HydrophobicContact CB-CB 4.36Å; L423-D446 CarbonylContact C-O 3.48Å; L423-D446 WeakPolarHBondContact CA-O 3.42Å; L423-D446 PolarHBondContact N-O 2.94Å; R424-D446 PolarHBondContact N-O 3.14Å; D446-G448 PolarHBondContact OD1-N 3.27Å; D446-R469 HydrophobicContact CB-CB 4.39Å; D446-R469 WeakPolarHBondContact OD1-CB 3.4Å; D446-R469 WeakPolarHBondContact OD2-CD 3.42Å; D446-R469 IonicContact OD2-NH1 3.63Å
447	L	98.2	Very high	96.4	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	22%	0.215	C	C	.	.			trans	-120.3	18.6	178.3	-70.7	166	0	0	0	110.5	L423 L428 L431 L445 N450 L452 R469 L470 N473	L423-L447 HydrophobicContact CB-CD2 4.07Å; L423-L447 HydrophobicContact CD1-CD2 4.11Å; L428-L447 HydrophobicContact CD1-CD2 3.87Å; L431-L447 HydrophobicContact CD1-CD1 4.26Å; L431-L447 HydrophobicContact CD2-CD1 4.23Å; L445-L447 HydrophobicContact CD1-CD1 4.16Å; L445-L447 HydrophobicContact CD1-CD2 4.45Å; L445-L447 HydrophobicContact CD1-CG 3.97Å; L445-L447 HydrophobicContact CD2-CD1 3.84Å; L445-L447 HydrophobicContact CG-CD1 3.92Å; L445-L447 HydrophobicContact CG-CG 4.05Å; L447-N450 PolarHBondContact O-ND2 3.03Å; L447-L452 HydrophobicContact CB-CD1 4.04Å; L447-L452 HydrophobicContact CD1-CD1 4.08Å; L447-L452 HydrophobicContact CG-CD1 4.48Å; L447-R469 CarbonylContact C-O 3.47Å; L447-R469 WeakPolarHBondContact CA-O 3.29Å; L447-R469 PolarHBondContact N-O 3.41Å; L447-L470 HydrophobicContact CB-CD2 3.88Å; L447-L470 HydrophobicContact CD1-CD2 4.02Å; L447-N473 PolarHBondContact O-ND2 3.37Å
448	G	98.3	Very high	96.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.209	C	C	.	.			trans	-60.3	155.1	-178.7	0	0	0	0	0	112.9	R424 D425 D446 N450 R469 N471	R424-G448 CarbonylContact C-O 3.17Å; R424-G448 WeakPolarHBondContact CA-O 3.43Å; R424-G448 WeakPolarHBondContact CG-O 3.39Å; D425-G448 PolarHBondContact N-O 3.34Å; D446-G448 PolarHBondContact OD1-N 3.27Å; G448-N450 PolarHBondContact O-N 3.07Å; G448-N450 PolarHBondContact O-ND2 3.23Å; G448-R469 PolarHBondContact N-O 3.06Å; G448-N471 CarbonylContact C-O 3.23Å; G448-N471 WeakPolarHBondContact CA-O 3.2Å; G448-N471 WeakPolarHBondContact CA-OD1 3.25Å
449	S	98.4	Very high	97	Very high	30 Å²	30	39.2 Å²	39.2	21%	0.21	20%	0.2	C	C	.	.	S	Bend	trans	53.6	51	177.9	-51.1	0	0	0	0	112.9	D425 N426 N471 Y472	D425-S449 VanDerWaalsContact CA-O 3.25Å; D425-S449 WeakPolarHBondContact CA-O 3.32Å; D425-S449 PolarHBondContact N-O 3.42Å; N426-S449 PolarHBondContact N-O 3.03Å; S449-N471 PolarHBondContact N-O 3.4Å; S449-Y472 WeakPolarHBondContact CA-O 3.38Å; S449-Y472 PolarHBondContact N-O 2.74Å
450	N	98.4	Very high	97.1	Very high	11 Å²	11	40.1 Å²	40.1	6%	0.059	20%	0.204	C	C	.	.	S	Bend	trans	-119.6	-162.9	174.1	-85.1	-77.4	0	0	0	110.1	L423 N426 L428 L447 G448 L452 Y472 N473	L423-N450 PolarHBondContact O-ND2 3.48Å; N426-N450 WeakPolarHBondContact CA-OD1 3.47Å; N426-N450 WeakPolarHBondContact CB-OD1 3.17Å; N426-N450 PolarHBondContact O-OD1 3.17Å; L428-N450 HydrophobicContact CB-CB 4.31Å; L428-N450 VanDerWaalsContact CB-OD1 3.29Å; L428-N450 WeakPolarHBondContact CB-OD1 3.16Å; L428-N450 WeakPolarHBondContact CG-OD1 3.37Å; L428-N450 PolarHBondContact N-OD1 2.94Å; L447-N450 PolarHBondContact O-ND2 3.03Å; G448-N450 PolarHBondContact O-N 3.07Å; G448-N450 PolarHBondContact O-ND2 3.23Å; N450-L452 HydrophobicContact CB-CG 4.27Å; N450-Y472 PolarHBondContact N-O 3.17Å; N450-N473 WeakPolarHBondContact CA-OD1 3.14Å; N450-N473 WeakPolarHBondContact CB-OD1 3.39Å; N450-N473 PolarHBondContact O-OD1 2.77Å
451	R	97.6	Very high	97.3	Very high	123 Å²	123	38.3 Å²	38.3	46%	0.464	20%	0.196	S	C	.	.			trans	-120	25	-179.8	-54.1	178.7	-171.7	167.4	8.4	111.9	L428 S453 N473	L428-R451 CarbonylContact O-C 3.56Å; L428-R451 VanDerWaalsContact O-C 3.3Å; L428-R451 VanDerWaalsContact O-CA 3.29Å; L428-R451 WeakPolarHBondContact O-CA 3.21Å; L428-R451 WeakPolarHBondContact O-CB 3.22Å; L428-R451 PolarHBondContact O-N 2.95Å; R451-S453 PolarHBondContact O-N 3.15Å; R451-N473 PolarHBondContact N-OD1 3.04Å
452	L	97.7	Very high	97.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.181	C	C	.	.			trans	-64.7	121	-177.5	-58.3	176.1	0	0	0	109.9	L428 L447 N450 L470 N473 Q474 L475	L428-L452 HydrophobicContact CB-CD2 4.29Å; L428-L452 PolarHBondContact O-N 2.82Å; L447-L452 HydrophobicContact CB-CD1 4.04Å; L447-L452 HydrophobicContact CD1-CD1 4.08Å; L447-L452 HydrophobicContact CG-CD1 4.48Å; N450-L452 HydrophobicContact CB-CG 4.27Å; L452-L470 HydrophobicContact CD1-CD2 3.9Å; L452-N473 HydrophobicContact CB-CB 4.33Å; L452-N473 WeakPolarHBondContact CB-OD1 3.44Å; L452-N473 WeakPolarHBondContact CG-OD1 3.47Å; L452-N473 PolarHBondContact N-OD1 2.96Å; L452-Q474 CarbonylContact O-C 3.16Å; L452-Q474 VanDerWaalsContact O-C 3.25Å; L452-Q474 VanDerWaalsContact O-CA 3.32Å; L452-Q474 WeakPolarHBondContact O-CA 3.44Å; L452-Q474 PolarHBondContact O-N 2.91Å; L452-L475 HydrophobicContact CB-CD2 4.21Å; L452-L475 PolarHBondContact O-N 2.99Å
453	S	96.5	Very high	97.2	Very high	61 Å²	61	40 Å²	40	43%	0.427	21%	0.207	S	C	.	.			trans	-91.7	-24.9	174.7	56.3	0	0	0	0	113.1	R451	R451-S453 PolarHBondContact O-N 3.15Å
454	E	96.4	Very high	97.2	Very high	138 Å²	138	39.3 Å²	39.3	65%	0.645	20%	0.204	S	C	*	.			trans	-147	163.2	178.8	62.6	179.9	-156.8	0	0	111.2
455	L	96.7	Very high	97.2	Very high	11 Å²	11	37 Å²	37	6%	0.058	19%	0.193	C	C	.	.			trans	-110.9	139.7	168.9	-65.9	174.8	0	0	0	109.9	L470 L475 L478 P479 I482	L455-L470 HydrophobicContact CD1-CD1 3.58Å; L455-L470 HydrophobicContact CD2-CD1 4.16Å; L455-L470 HydrophobicContact CD2-CD2 3.82Å; L455-L470 HydrophobicContact CG-CD1 4.4Å; L455-L475 HydrophobicContact CD1-CD1 4.39Å; L455-L475 HydrophobicContact CD2-CD2 4.4Å; L455-L475 HydrophobicContact CG-CD1 4.34Å; L455-L475 HydrophobicContact CG-CD2 3.99Å; L455-L478 HydrophobicContact CD1-CD2 3.73Å; L455-P479 HydrophobicContact CB-CG 4Å; L455-I482 HydrophobicContact CD1-CD1 4.47Å
456	P	96.3	Very high	97.2	Very high	22 Å²	22	39.3 Å²	39.3	14%	0.143	20%	0.204	C	C	.	.			trans	-69	147.6	176.4	29.4	-35.2	0	0	0	111.7	L431 L436 E458 I459	L431-P456 HydrophobicContact CB-CG 4.17Å; L431-P456 HydrophobicContact CD2-CG 4.1Å; L431-P456 HydrophobicContact CG-CG 4.36Å; L436-P456 HydrophobicContact CD1-CG 3.77Å; P456-E458 PolarHBondContact O-N 2.97Å; P456-I459 WeakPolarHBondContact O-CB 3.39Å; P456-I459 WeakPolarHBondContact O-CG2 3.4Å; P456-I459 PolarHBondContact O-N 3.5Å; P456-I459 VanDerWaalsContact O-N 3.07Å
457	T	95.9	Very high	97.2	Very high	68 Å²	68	38.7 Å²	38.7	42%	0.417	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-60.5	-25.6	177	58.6	0	0	0	0	113	I459 N460 P479 E481	T457-I459 PolarHBondContact O-N 3.16Å; T457-I459 VanDerWaalsContact O-N 3.09Å; T457-N460 PolarHBondContact O-OD1 3.15Å; T457-P479 HydrophobicContact CG2-CB 4.35Å; T457-E481 WeakPolarHBondContact O-CB 3.33Å; T457-E481 WeakPolarHBondContact O-CG 3.15Å
458	E	96.3	Very high	97.2	Very high	67 Å²	67	38.7 Å²	38.7	31%	0.313	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-68.2	-1.9	176.2	-65.6	82	174	0	0	113.6	G433 L436 P456 N460 K461	G433-E458 WeakPolarHBondContact O-CB 3.47Å; L436-E458 HydrophobicContact CD1-CB 4.44Å; P456-E458 PolarHBondContact O-N 2.97Å; E458-N460 PolarHBondContact O-N 3.05Å; E458-N460 VanDerWaalsContact O-N 3.11Å; E458-K461 HydrophobicContact CB-CG 4.35Å; E458-K461 VanDerWaalsContact O-CB 3.31Å; E458-K461 WeakPolarHBondContact O-CB 3.39Å; E458-K461 VanDerWaalsContact O-CG 3.26Å; E458-K461 WeakPolarHBondContact O-CG 3.48Å; E458-K461 PolarHBondContact O-N 3.43Å
459	I	96.9	Very high	97.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-54.3	-30.1	172.9	-164.3	68.3	0	0	0	112	L431 L436 P456 T457 K461 L462 P479 I482 L485	L431-I459 HydrophobicContact CD2-CD1 4.38Å; L436-I459 HydrophobicContact CD1-CD1 4.26Å; P456-I459 WeakPolarHBondContact O-CB 3.39Å; P456-I459 WeakPolarHBondContact O-CG2 3.4Å; P456-I459 PolarHBondContact O-N 3.5Å; P456-I459 VanDerWaalsContact O-N 3.07Å; T457-I459 PolarHBondContact O-N 3.16Å; T457-I459 VanDerWaalsContact O-N 3.09Å; I459-K461 PolarHBondContact O-N 3.03Å; I459-L462 HydrophobicContact CD1-CD1 3.69Å; I459-L462 PolarHBondContact O-N 3.13Å; I459-P479 HydrophobicContact CG2-CG 4.02Å; I459-I482 HydrophobicContact CG2-CB 4.33Å; I459-L485 HydrophobicContact CG1-CD1 4.32Å
460	N	95.4	Very high	97.3	Very high	23 Å²	23	41 Å²	41	12%	0.123	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-60.4	-15.1	174.4	64.4	-7.2	0	0	0	114.8	T457 E458 L462 E481 Q484	T457-N460 PolarHBondContact O-OD1 3.15Å; E458-N460 PolarHBondContact O-N 3.05Å; E458-N460 VanDerWaalsContact O-N 3.11Å; N460-L462 VanDerWaalsContact C-N 3.26Å; N460-L462 PolarHBondContact O-N 2.83Å; N460-E481 HydrophobicContact CB-CB 4.03Å; N460-Q484 HydrophobicContact CB-CB 3.97Å; N460-Q484 HydrophobicContact CB-CG 4.5Å; N460-Q484 PolarHBondContact ND2-OE1 2.74Å
461	K	96.2	Very high	97.3	Very high	97 Å²	97	41.1 Å²	41.1	42%	0.422	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-75.1	-16.1	178.4	-54.9	-53.4	177.6	-164.2	0	113.1	H437 E458 I459 V463	H437-K461 HydrophobicContact CB-CB 4.15Å; H437-K461 HydrophobicContact CB-CG 4.13Å; E458-K461 HydrophobicContact CB-CG 4.35Å; E458-K461 VanDerWaalsContact O-CB 3.31Å; E458-K461 WeakPolarHBondContact O-CB 3.39Å; E458-K461 VanDerWaalsContact O-CG 3.26Å; E458-K461 WeakPolarHBondContact O-CG 3.48Å; E458-K461 PolarHBondContact O-N 3.43Å; I459-K461 PolarHBondContact O-N 3.03Å; K461-V463 PolarHBondContact O-N 3.47Å
462	L	96.7	Very high	97.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.204	C	C	.	.			trans	-77.6	57.5	174.5	-55.3	-179.5	0	0	0	111.3	L436 L439 L442 L445 I459 N460 A464 L465 L485	L436-L462 HydrophobicContact CB-CD2 4.33Å; L436-L462 HydrophobicContact CD2-CD2 4.44Å; L436-L462 WeakPolarHBondContact O-CD2 3.46Å; L439-L462 HydrophobicContact CB-CD2 3.59Å; L442-L462 HydrophobicContact CD2-CD1 4.37Å; L442-L462 HydrophobicContact CD2-CD2 4.24Å; L445-L462 HydrophobicContact CD2-CD1 3.78Å; I459-L462 HydrophobicContact CD1-CD1 3.69Å; I459-L462 PolarHBondContact O-N 3.13Å; N460-L462 VanDerWaalsContact C-N 3.26Å; N460-L462 PolarHBondContact O-N 2.83Å; L462-A464 PolarHBondContact O-N 2.83Å; L462-L465 HydrophobicContact CB-CB 3.98Å; L462-L465 HydrophobicContact CB-CD2 4.29Å; L462-L465 HydrophobicContact CD1-CD1 4.46Å; L462-L465 HydrophobicContact CD1-CD2 4.01Å; L462-L465 WeakPolarHBondContact O-CB 3.47Å; L462-L465 PolarHBondContact O-N 2.88Å; L462-L485 HydrophobicContact CB-CD2 4.34Å; L462-L485 WeakPolarHBondContact O-CD2 3.08Å
463	V	95.6	Very high	97.3	Very high	88 Å²	88	40.9 Å²	40.9	53%	0.533	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-15	-170.4	-62.8	0	0	0	0	115.1	K461	K461-V463 PolarHBondContact O-N 3.47Å
464	A	97.8	Very high	97.4	Very high	14 Å²	14	42.7 Å²	42.7	12%	0.116	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-5.5	175.7	0	0	0	0	0	113.8	K440 L442 L462 E466	K440-A464 WeakPolarHBondContact O-CB 3.5Å; L442-A464 CarbonylContact O-C 3.39Å; L462-A464 PolarHBondContact O-N 2.83Å; A464-E466 PolarHBondContact O-N 3.41Å
465	L	98.4	Very high	97.5	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	18%	0.177	C	C	.	.			trans	-65.9	128	-169	-159.5	71.8	0	0	0	111.7	L442 L445 L462 L468 L485 K487 L488	L442-L465 HydrophobicContact CD2-CD1 4.24Å; L442-L465 HydrophobicContact CG-CD1 4.25Å; L442-L465 VanDerWaalsContact O-CA 3.31Å; L442-L465 WeakPolarHBondContact O-CA 3.18Å; L442-L465 PolarHBondContact O-N 3.45Å; L442-L465 VanDerWaalsContact O-N 3.16Å; L445-L465 HydrophobicContact CB-CD1 3.78Å; L462-L465 HydrophobicContact CB-CB 3.98Å; L462-L465 HydrophobicContact CB-CD2 4.29Å; L462-L465 HydrophobicContact CD1-CD1 4.46Å; L462-L465 HydrophobicContact CD1-CD2 4.01Å; L462-L465 WeakPolarHBondContact O-CB 3.47Å; L462-L465 PolarHBondContact O-N 2.88Å; L465-L468 HydrophobicContact CD2-CB 3.9Å; L465-L468 HydrophobicContact CD2-CD1 4.22Å; L465-L468 HydrophobicContact CD2-CD2 4.27Å; L465-L468 HydrophobicContact CD2-CG 4.36Å; L465-L485 HydrophobicContact CD2-CD1 4.06Å; L465-K487 CarbonylContact O-C 3.51Å; L465-K487 VanDerWaalsContact O-C 3.26Å; L465-L488 HydrophobicContact CD2-CD1 4.18Å; L465-L488 HydrophobicContact CG-CD1 4.2Å; L465-L488 WeakPolarHBondContact O-CA 3.42Å; L465-L488 PolarHBondContact O-N 2.92Å; L465-L488 VanDerWaalsContact O-N 3.14Å
466	E	98.7	Very high	97.5	Very high	53 Å²	53	39.3 Å²	39.3	25%	0.248	20%	0.197	C	C	.	.			trans	-116.2	-26.6	178.6	-64.9	-176.3	-175.3	0	0	112.4	V443 A464 K487 R489 I490	V443-E466 HydrophobicContact CG1-CB 3.77Å; V443-E466 HydrophobicContact CG1-CG 3.82Å; V443-E466 PolarHBondContact O-N 2.99Å; A464-E466 PolarHBondContact O-N 3.41Å; E466-K487 HydrophobicContact CG-CB 4.27Å; E466-R489 HydrophobicContact CB-CG 4.4Å; E466-R489 WeakPolarHBondContact O-CA 3.17Å; E466-R489 WeakPolarHBondContact O-CB 3.33Å; E466-R489 PolarHBondContact O-N 3.33Å; E466-R489 IonicContact OE2-CZ 3Å; E466-R489 IonicContact OE2-NE 2.98Å; E466-R489 PolarHBondContact OE2-NE 3.21Å; E466-R489 IonicContact OE2-NH2 3.04Å; E466-R489 PolarHBondContact OE2-NH2 2.77Å; E466-I490 PolarHBondContact O-N 2.77Å
467	V	98.8	Very high	97.6	Very high	5 Å²	5	41.3 Å²	41.3	3%	0.03	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	121.4	178.4	-178	0	0	0	0	109.2	V443 E444 L445 R469 I490	V443-V467 PolarHBondContact O-N 3.01Å; E444-V467 WeakPolarHBondContact CA-O 3.37Å; E444-V467 HydrophobicContact CB-CB 4.23Å; E444-V467 HydrophobicContact CG-CB 3.97Å; E444-V467 HydrophobicContact CG-CG2 4.06Å; L445-V467 PolarHBondContact N-O 2.98Å; V467-R469 HydrophobicContact CG1-CG 4.2Å; V467-I490 HydrophobicContact CG1-CB 4.15Å; V467-I490 HydrophobicContact CG1-CG2 4.32Å; V467-I490 HydrophobicContact CG2-CB 4.28Å; V467-I490 HydrophobicContact CG2-CD1 4.13Å; V467-I490 HydrophobicContact CG2-CG1 4.45Å
468	L	98.7	Very high	97.7	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	114.4	173.7	179.6	55.6	0	0	0	109.1	L445 L465 L470 I482 L488 I490 L491 D492	L445-L468 HydrophobicContact CB-CD1 4.17Å; L445-L468 HydrophobicContact CD2-CD1 4.03Å; L445-L468 HydrophobicContact CG-CD1 4.12Å; L445-L468 WeakPolarHBondContact O-CA 3.37Å; L465-L468 HydrophobicContact CD2-CB 3.9Å; L465-L468 HydrophobicContact CD2-CD1 4.22Å; L465-L468 HydrophobicContact CD2-CD2 4.27Å; L465-L468 HydrophobicContact CD2-CG 4.36Å; L468-L470 HydrophobicContact CD1-CD1 4.11Å; L468-L470 HydrophobicContact CD1-CD2 4.5Å; L468-L470 HydrophobicContact CD1-CG 4.03Å; L468-L470 HydrophobicContact CD2-CD1 3.84Å; L468-L470 HydrophobicContact CG-CD1 3.8Å; L468-L470 HydrophobicContact CG-CG 4.07Å; L468-I482 HydrophobicContact CD2-CD1 4.14Å; L468-L488 HydrophobicContact CB-CD1 3.74Å; L468-I490 PolarHBondContact N-O 3.21Å; L468-L491 HydrophobicContact CB-CD1 4.22Å; L468-L491 HydrophobicContact CD2-CD1 4.01Å; L468-L491 HydrophobicContact CG-CD1 4.15Å; L468-D492 PolarHBondContact O-N 3.21Å
469	R	98.8	Very high	97.7	Very high	79 Å²	79	36.4 Å²	36.4	30%	0.298	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	125.9	173.8	-58.7	-164.2	-177.7	84	7.3	110.9	L445 D446 L447 G448 V467 D492	L445-R469 PolarHBondContact O-N 2.93Å; D446-R469 HydrophobicContact CB-CB 4.39Å; D446-R469 WeakPolarHBondContact OD1-CB 3.4Å; D446-R469 WeakPolarHBondContact OD2-CD 3.42Å; D446-R469 IonicContact OD2-NH1 3.63Å; L447-R469 CarbonylContact C-O 3.47Å; L447-R469 WeakPolarHBondContact CA-O 3.29Å; L447-R469 PolarHBondContact N-O 3.41Å; G448-R469 PolarHBondContact N-O 3.06Å; V467-R469 HydrophobicContact CG1-CG 4.2Å; R469-D492 HydrophobicContact CB-CB 4.33Å; R469-D492 HydrophobicContact CG-CB 4.07Å
470	L	98.6	Very high	97.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.212	C	C	.	.			trans	-137.2	13.8	-176.3	-71.9	165.4	0	0	0	110.8	L447 L452 L455 L468 N473 L475 D492 L493 N496	L447-L470 HydrophobicContact CB-CD2 3.88Å; L447-L470 HydrophobicContact CD1-CD2 4.02Å; L452-L470 HydrophobicContact CD1-CD2 3.9Å; L455-L470 HydrophobicContact CD1-CD1 3.58Å; L455-L470 HydrophobicContact CD2-CD1 4.16Å; L455-L470 HydrophobicContact CD2-CD2 3.82Å; L455-L470 HydrophobicContact CG-CD1 4.4Å; L468-L470 HydrophobicContact CD1-CD1 4.11Å; L468-L470 HydrophobicContact CD1-CD2 4.5Å; L468-L470 HydrophobicContact CD1-CG 4.03Å; L468-L470 HydrophobicContact CD2-CD1 3.84Å; L468-L470 HydrophobicContact CG-CD1 3.8Å; L468-L470 HydrophobicContact CG-CG 4.07Å; L470-N473 WeakPolarHBondContact O-CB 3.42Å; L470-N473 PolarHBondContact O-ND2 3.43Å; L470-L475 HydrophobicContact CB-CD1 4.09Å; L470-L475 HydrophobicContact CD1-CD1 4.07Å; L470-L475 HydrophobicContact CD2-CD1 4.4Å; L470-L475 HydrophobicContact CG-CD1 4.44Å; L470-D492 CarbonylContact C-O 3.45Å; L470-D492 WeakPolarHBondContact CA-O 3.37Å; L470-D492 WeakPolarHBondContact CB-O 3.14Å; L470-D492 PolarHBondContact N-O 3.46Å; L470-L493 HydrophobicContact CB-CD2 3.94Å; L470-L493 HydrophobicContact CD1-CD2 3.85Å; L470-N496 PolarHBondContact O-ND2 2.9Å
471	N	98.7	Very high	97.8	Very high	12 Å²	12	43 Å²	43	6%	0.064	22%	0.219	C	C	.	.			trans	-57.9	150.3	179.4	58.2	-48.5	0	0	0	111.8	G448 S449 N473 D492 E494	G448-N471 CarbonylContact C-O 3.23Å; G448-N471 WeakPolarHBondContact CA-O 3.2Å; G448-N471 WeakPolarHBondContact CA-OD1 3.25Å; S449-N471 PolarHBondContact N-O 3.4Å; N471-N473 PolarHBondContact O-ND2 2.75Å; N471-D492 PolarHBondContact N-O 2.97Å; N471-E494 CarbonylContact C-O 3.42Å; N471-E494 WeakPolarHBondContact CA-O 3.36Å; N471-E494 HydrophobicContact CB-CB 3.91Å
472	Y	98.6	Very high	97.9	Very high	109 Å²	109	38.4 Å²	38.4	43%	0.427	20%	0.199	S	C	.	.	S	Bend	trans	54.5	52.9	-178.2	-59	-92.9	0	0	0	112.9	S449 N450 E494 S495	S449-Y472 WeakPolarHBondContact CA-O 3.38Å; S449-Y472 PolarHBondContact N-O 2.74Å; N450-Y472 PolarHBondContact N-O 3.17Å; Y472-E494 HydrophobicContact CE2-CG 4.24Å; Y472-E494 WeakPolarHBondContact CE2-OE1 3.43Å; Y472-E494 PolarHBondContact N-O 3.42Å; Y472-E494 PolarHBondContact OH-OE1 3.37Å; Y472-S495 VanDerWaalsContact CA-O 3.3Å; Y472-S495 WeakPolarHBondContact CA-O 3.46Å; Y472-S495 PolarHBondContact N-O 3.3Å
473	N	98.5	Very high	97.8	Very high	10 Å²	10	39.5 Å²	39.5	5%	0.053	21%	0.206	C	C	.	.	S	Bend	trans	-120.7	-166.2	171.1	-84.8	-78	0	0	0	110.2	L447 N450 R451 L452 L470 N471 L475 S495 N496	L447-N473 PolarHBondContact O-ND2 3.37Å; N450-N473 WeakPolarHBondContact CA-OD1 3.14Å; N450-N473 WeakPolarHBondContact CB-OD1 3.39Å; N450-N473 PolarHBondContact O-OD1 2.77Å; R451-N473 PolarHBondContact N-OD1 3.04Å; L452-N473 HydrophobicContact CB-CB 4.33Å; L452-N473 WeakPolarHBondContact CB-OD1 3.44Å; L452-N473 WeakPolarHBondContact CG-OD1 3.47Å; L452-N473 PolarHBondContact N-OD1 2.96Å; L470-N473 WeakPolarHBondContact O-CB 3.42Å; L470-N473 PolarHBondContact O-ND2 3.43Å; N471-N473 PolarHBondContact O-ND2 2.75Å; N473-L475 HydrophobicContact CB-CG 4.26Å; N473-S495 PolarHBondContact N-O 2.88Å; N473-N496 WeakPolarHBondContact CA-OD1 3.48Å; N473-N496 WeakPolarHBondContact CB-OD1 3.28Å; N473-N496 PolarHBondContact O-OD1 2.68Å
474	Q	97.9	Very high	97.9	Very high	99 Å²	99	40.6 Å²	40.6	46%	0.463	21%	0.205	S	C	.	.			trans	-119.2	25.6	-177.7	-57.9	176.3	28.4	0	0	111.6	L452 T476 N496	L452-Q474 CarbonylContact O-C 3.16Å; L452-Q474 VanDerWaalsContact O-C 3.25Å; L452-Q474 VanDerWaalsContact O-CA 3.32Å; L452-Q474 WeakPolarHBondContact O-CA 3.44Å; L452-Q474 PolarHBondContact O-N 2.91Å; Q474-T476 PolarHBondContact O-N 3.35Å; Q474-N496 PolarHBondContact N-OD1 3.02Å
475	L	98.2	Very high	97.9	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.			trans	-66.6	125.3	-175.1	-60.7	172.8	0	0	0	110.9	L452 L455 L470 N473 L478 L493 N496 L497 L498	L452-L475 HydrophobicContact CB-CD2 4.21Å; L452-L475 PolarHBondContact O-N 2.99Å; L455-L475 HydrophobicContact CD1-CD1 4.39Å; L455-L475 HydrophobicContact CD2-CD2 4.4Å; L455-L475 HydrophobicContact CG-CD1 4.34Å; L455-L475 HydrophobicContact CG-CD2 3.99Å; L470-L475 HydrophobicContact CB-CD1 4.09Å; L470-L475 HydrophobicContact CD1-CD1 4.07Å; L470-L475 HydrophobicContact CD2-CD1 4.4Å; L470-L475 HydrophobicContact CG-CD1 4.44Å; N473-L475 HydrophobicContact CB-CG 4.26Å; L475-L478 HydrophobicContact CD1-CD2 4.21Å; L475-L493 HydrophobicContact CD1-CD2 4.12Å; L475-N496 HydrophobicContact CB-CB 4.36Å; L475-N496 WeakPolarHBondContact CB-OD1 3.14Å; L475-N496 WeakPolarHBondContact CG-OD1 3.41Å; L475-N496 PolarHBondContact N-OD1 3.2Å; L475-L497 CarbonylContact O-C 3.58Å; L475-L497 VanDerWaalsContact O-CA 3.28Å; L475-L497 WeakPolarHBondContact O-CA 3.19Å; L475-L497 WeakPolarHBondContact O-CB 3.37Å; L475-L497 PolarHBondContact O-N 2.89Å; L475-L498 HydrophobicContact CB-CD2 4.09Å; L475-L498 PolarHBondContact O-N 2.87Å
476	T	97.3	Very high	97.9	Very high	77 Å²	77	42.8 Å²	42.8	47%	0.472	22%	0.22	S	C	.	.	S	Bend	trans	-94.4	-24.9	175.2	57	0	0	0	0	113	Q474 L497	Q474-T476 PolarHBondContact O-N 3.35Å; T476-L497 HydrophobicContact CG2-CB 4.23Å
477	S	97.3	Very high	97.8	Very high	64 Å²	64	45.2 Å²	45.2	45%	0.448	23%	0.229	S	C	.	.			trans	-153.6	166	178	55.5	0	0	0	0	110.5
478	L	97.7	Very high	97.8	Very high	14 Å²	14	45 Å²	45	7%	0.073	23%	0.228	C	C	.	.			trans	-111.6	144.6	170.6	-57.9	172.5	0	0	0	109.5	L455 L475 I482 L493 L498 L501 P502	L455-L478 HydrophobicContact CD1-CD2 3.73Å; L475-L478 HydrophobicContact CD1-CD2 4.21Å; L478-I482 HydrophobicContact CB-CG2 4.35Å; L478-I482 HydrophobicContact CD1-CD1 4.27Å; L478-I482 HydrophobicContact CD2-CD1 4.41Å; L478-L493 HydrophobicContact CD1-CD1 3.71Å; L478-L493 HydrophobicContact CD1-CD2 4.39Å; L478-L493 HydrophobicContact CD2-CD2 3.87Å; L478-L498 HydrophobicContact CD2-CD2 4.34Å; L478-L498 HydrophobicContact CG-CD2 4.09Å; L478-L501 HydrophobicContact CD1-CD2 4.15Å; L478-P502 HydrophobicContact CB-CG 4.06Å
479	P	97	Very high	97.8	Very high	18 Å²	18	49.5 Å²	49.5	12%	0.117	25%	0.245	C	C	.	.			trans	-67.3	142.1	171.7	28.7	-34.5	0	0	0	110.4	L455 T457 I459 E481 I482	L455-P479 HydrophobicContact CB-CG 4Å; T457-P479 HydrophobicContact CG2-CB 4.35Å; I459-P479 HydrophobicContact CG2-CG 4.02Å; P479-E481 WeakPolarHBondContact CB-OE2 3.39Å; P479-E481 PolarHBondContact O-N 3.3Å; P479-E481 VanDerWaalsContact O-N 3.12Å; P479-I482 WeakPolarHBondContact O-CB 3.32Å; P479-I482 WeakPolarHBondContact O-CG2 3.12Å; P479-I482 PolarHBondContact O-N 2.76Å
480	D	97.2	Very high	97.8	Very high	104 Å²	104	47.8 Å²	47.8	56%	0.556	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-58.3	-28	178.4	-74.1	-24.3	0	0	0	111.5	I482 T483	D480-I482 PolarHBondContact O-N 2.94Å; D480-I482 VanDerWaalsContact O-N 3.15Å; D480-T483 VanDerWaalsContact O-CB 3.31Å; D480-T483 WeakPolarHBondContact O-CB 3.18Å; D480-T483 WeakPolarHBondContact O-CG2 3.4Å; D480-T483 PolarHBondContact O-N 3.29Å; D480-T483 VanDerWaalsContact O-N 3.1Å; D480-T483 PolarHBondContact O-OG1 2.93Å
481	E	97.3	Very high	97.8	Very high	58 Å²	58	48 Å²	48	27%	0.271	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-58.3	-23.4	176.1	-71.7	79.4	-171.7	0	0	114	T457 N460 P479 T483 Q484	T457-E481 WeakPolarHBondContact O-CB 3.33Å; T457-E481 WeakPolarHBondContact O-CG 3.15Å; N460-E481 HydrophobicContact CB-CB 4.03Å; P479-E481 WeakPolarHBondContact CB-OE2 3.39Å; P479-E481 PolarHBondContact O-N 3.3Å; P479-E481 VanDerWaalsContact O-N 3.12Å; E481-T483 PolarHBondContact O-N 3.12Å; E481-T483 VanDerWaalsContact O-N 3.13Å; E481-Q484 WeakPolarHBondContact O-CB 3.49Å; E481-Q484 PolarHBondContact O-N 3.05Å
482	I	97.4	Very high	97.9	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-57.3	-29.5	175.4	-160.2	173.8	0	0	0	111.7	L455 I459 L468 L478 P479 D480 Q484 L485 L491 P502 L508	L455-I482 HydrophobicContact CD1-CD1 4.47Å; I459-I482 HydrophobicContact CG2-CB 4.33Å; L468-I482 HydrophobicContact CD2-CD1 4.14Å; L478-I482 HydrophobicContact CB-CG2 4.35Å; L478-I482 HydrophobicContact CD1-CD1 4.27Å; L478-I482 HydrophobicContact CD2-CD1 4.41Å; P479-I482 WeakPolarHBondContact O-CB 3.32Å; P479-I482 WeakPolarHBondContact O-CG2 3.12Å; P479-I482 PolarHBondContact O-N 2.76Å; D480-I482 PolarHBondContact O-N 2.94Å; D480-I482 VanDerWaalsContact O-N 3.15Å; I482-Q484 PolarHBondContact O-N 2.87Å; I482-Q484 VanDerWaalsContact O-N 3.16Å; I482-L485 HydrophobicContact CG1-CD1 4.06Å; I482-L485 WeakPolarHBondContact O-CB 3.48Å; I482-L485 WeakPolarHBondContact O-CG 3.44Å; I482-L485 PolarHBondContact O-N 2.64Å; I482-L485 VanDerWaalsContact O-N 3.15Å; I482-L491 HydrophobicContact CD1-CD1 4.27Å; I482-L491 HydrophobicContact CD1-CD2 4.34Å; I482-P502 HydrophobicContact CG2-CG 4.07Å; I482-L508 WeakPolarHBondContact O-CD2 3.3Å
483	T	96.6	Very high	97.9	Very high	22 Å²	22	43.2 Å²	43.2	14%	0.135	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-67.5	-15.4	-178.6	68.7	0	0	0	0	112.2	D480 E481 L485 P502 D504 G507	D480-T483 VanDerWaalsContact O-CB 3.31Å; D480-T483 WeakPolarHBondContact O-CB 3.18Å; D480-T483 WeakPolarHBondContact O-CG2 3.4Å; D480-T483 PolarHBondContact O-N 3.29Å; D480-T483 VanDerWaalsContact O-N 3.1Å; D480-T483 PolarHBondContact O-OG1 2.93Å; E481-T483 PolarHBondContact O-N 3.12Å; E481-T483 VanDerWaalsContact O-N 3.13Å; T483-L485 VanDerWaalsContact C-N 3.26Å; T483-L485 PolarHBondContact O-N 3.1Å; T483-P502 HydrophobicContact CG2-CB 4.02Å; T483-P502 HydrophobicContact CG2-CG 4.41Å; T483-D504 WeakPolarHBondContact CG2-O 3.35Å; T483-G507 CarbonylContact O-C 3.25Å; T483-G507 WeakPolarHBondContact O-CA 3.43Å
484	Q	96.9	Very high	97.9	Very high	111 Å²	111	44.5 Å²	44.5	52%	0.519	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-79.5	-7.8	177.5	-58.5	175.2	19.3	0	0	112.8	N460 E481 I482 S486	N460-Q484 HydrophobicContact CB-CB 3.97Å; N460-Q484 HydrophobicContact CB-CG 4.5Å; N460-Q484 PolarHBondContact ND2-OE1 2.74Å; E481-Q484 WeakPolarHBondContact O-CB 3.49Å; E481-Q484 PolarHBondContact O-N 3.05Å; I482-Q484 PolarHBondContact O-N 2.87Å; I482-Q484 VanDerWaalsContact O-N 3.16Å; Q484-S486 PolarHBondContact O-N 3.46Å
485	L	97.8	Very high	97.9	Very high	3 Å²	3	41 Å²	41	2%	0.016	22%	0.217	C	C	.	.			trans	-76.9	65.9	176.6	-59.8	179.6	0	0	0	111.6	I459 L462 L465 I482 T483 K487 L488 L508	I459-L485 HydrophobicContact CG1-CD1 4.32Å; L462-L485 HydrophobicContact CB-CD2 4.34Å; L462-L485 WeakPolarHBondContact O-CD2 3.08Å; L465-L485 HydrophobicContact CD2-CD1 4.06Å; I482-L485 HydrophobicContact CG1-CD1 4.06Å; I482-L485 WeakPolarHBondContact O-CB 3.48Å; I482-L485 WeakPolarHBondContact O-CG 3.44Å; I482-L485 PolarHBondContact O-N 2.64Å; I482-L485 VanDerWaalsContact O-N 3.15Å; T483-L485 VanDerWaalsContact C-N 3.26Å; T483-L485 PolarHBondContact O-N 3.1Å; L485-K487 PolarHBondContact O-N 2.83Å; L485-L488 HydrophobicContact CB-CB 4.03Å; L485-L488 HydrophobicContact CD1-CD2 4.44Å; L485-L488 WeakPolarHBondContact O-CB 3.45Å; L485-L488 PolarHBondContact O-N 3.01Å; L485-L508 HydrophobicContact CB-CD2 4.26Å
486	S	97.4	Very high	97.9	Very high	59 Å²	59	41.3 Å²	41.3	41%	0.413	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-17.9	-174.4	60	0	0	0	0	116	Q484 G507 T509 S510	Q484-S486 PolarHBondContact O-N 3.46Å; S486-G507 WeakPolarHBondContact CA-O 3.16Å; S486-T509 PolarHBondContact O-OG1 2.99Å; S486-S510 WeakPolarHBondContact O-CB 3.43Å; S486-S510 PolarHBondContact O-N 3.01Å; S486-S510 PolarHBondContact O-OG 3.41Å
487	K	98.3	Very high	98	Very high	103 Å²	103	40.5 Å²	40.5	45%	0.448	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-10	175.9	-65.5	-170.4	-174.4	176.8	0	114	L465 E466 L485 R489	L465-K487 CarbonylContact O-C 3.51Å; L465-K487 VanDerWaalsContact O-C 3.26Å; E466-K487 HydrophobicContact CG-CB 4.27Å; L485-K487 PolarHBondContact O-N 2.83Å; K487-R489 WeakPolarHBondContact O-CG 2.98Å; K487-R489 PolarHBondContact O-N 2.95Å
488	L	98.6	Very high	98	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.189	C	C	.	.			trans	-59.3	122.9	-176.7	-162.9	68.5	0	0	0	109.9	L465 L468 L485 L491 L508 S510 L511	L465-L488 HydrophobicContact CD2-CD1 4.18Å; L465-L488 HydrophobicContact CG-CD1 4.2Å; L465-L488 WeakPolarHBondContact O-CA 3.42Å; L465-L488 PolarHBondContact O-N 2.92Å; L465-L488 VanDerWaalsContact O-N 3.14Å; L468-L488 HydrophobicContact CB-CD1 3.74Å; L485-L488 HydrophobicContact CB-CB 4.03Å; L485-L488 HydrophobicContact CD1-CD2 4.44Å; L485-L488 WeakPolarHBondContact O-CB 3.45Å; L485-L488 PolarHBondContact O-N 3.01Å; L488-L491 HydrophobicContact CD2-CB 4Å; L488-L491 HydrophobicContact CD2-CD1 4.29Å; L488-L491 HydrophobicContact CD2-CD2 4.32Å; L488-L491 HydrophobicContact CD2-CG 4.44Å; L488-L508 HydrophobicContact CB-CD2 4.28Å; L488-L508 HydrophobicContact CD2-CD2 4.11Å; L488-S510 CarbonylContact O-C 3.09Å; L488-L511 HydrophobicContact CB-CD1 4.43Å; L488-L511 HydrophobicContact CD2-CD1 4.21Å; L488-L511 HydrophobicContact CG-CD1 4.1Å; L488-L511 WeakPolarHBondContact O-CA 3.19Å; L488-L511 PolarHBondContact O-N 2.9Å
489	R	98.7	Very high	98	Very high	97 Å²	97	42.3 Å²	42.3	37%	0.366	21%	0.211	S	C	.	.			trans	-105.7	-38	-179.9	-62.2	-171.1	-69.9	164.5	-0.1	111.6	E466 K487 Q512 E513	E466-R489 HydrophobicContact CB-CG 4.4Å; E466-R489 WeakPolarHBondContact O-CA 3.17Å; E466-R489 WeakPolarHBondContact O-CB 3.33Å; E466-R489 PolarHBondContact O-N 3.33Å; E466-R489 IonicContact OE2-CZ 3Å; E466-R489 IonicContact OE2-NE 2.98Å; E466-R489 PolarHBondContact OE2-NE 3.21Å; E466-R489 IonicContact OE2-NH2 3.04Å; E466-R489 PolarHBondContact OE2-NH2 2.77Å; K487-R489 WeakPolarHBondContact O-CG 2.98Å; K487-R489 PolarHBondContact O-N 2.95Å; R489-Q512 WeakPolarHBondContact O-CA 3.31Å; R489-Q512 PolarHBondContact O-N 3.39Å; R489-E513 PolarHBondContact O-N 3.42Å
490	I	98.8	Very high	98	Very high	42 Å²	42	44.7 Å²	44.7	22%	0.215	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	122.1	-178.5	-59.5	174.9	0	0	0	108	E466 V467 L468 E513	E466-I490 PolarHBondContact O-N 2.77Å; V467-I490 HydrophobicContact CG1-CB 4.15Å; V467-I490 HydrophobicContact CG1-CG2 4.32Å; V467-I490 HydrophobicContact CG2-CB 4.28Å; V467-I490 HydrophobicContact CG2-CD1 4.13Å; V467-I490 HydrophobicContact CG2-CG1 4.45Å; L468-I490 PolarHBondContact N-O 3.21Å; I490-E513 HydrophobicContact CB-CB 4.47Å; I490-E513 HydrophobicContact CG1-CB 4.13Å; I490-E513 HydrophobicContact CG2-CB 4.31Å
491	L	98.7	Very high	98	Very high	5 Å²	5	40.1 Å²	40.1	3%	0.026	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	109	171.1	178.2	55.7	0	0	0	108.8	L468 I482 L488 L493 L511 E513 L514 N515	L468-L491 HydrophobicContact CB-CD1 4.22Å; L468-L491 HydrophobicContact CD2-CD1 4.01Å; L468-L491 HydrophobicContact CG-CD1 4.15Å; I482-L491 HydrophobicContact CD1-CD1 4.27Å; I482-L491 HydrophobicContact CD1-CD2 4.34Å; L488-L491 HydrophobicContact CD2-CB 4Å; L488-L491 HydrophobicContact CD2-CD1 4.29Å; L488-L491 HydrophobicContact CD2-CD2 4.32Å; L488-L491 HydrophobicContact CD2-CG 4.44Å; L491-L493 HydrophobicContact CD1-CD1 4.09Å; L491-L493 HydrophobicContact CD1-CD2 4.28Å; L491-L493 HydrophobicContact CD1-CG 3.99Å; L491-L493 HydrophobicContact CD2-CD1 3.87Å; L491-L493 HydrophobicContact CG-CD1 3.74Å; L491-L493 HydrophobicContact CG-CG 4.03Å; L491-L511 HydrophobicContact CB-CD1 3.87Å; L491-E513 PolarHBondContact N-O 3.26Å; L491-L514 HydrophobicContact CB-CD1 4.25Å; L491-L514 HydrophobicContact CD2-CD1 4.02Å; L491-L514 HydrophobicContact CG-CD1 4.16Å; L491-N515 PolarHBondContact O-N 3.08Å
492	D	98.8	Very high	98	Very high	21 Å²	21	37.7 Å²	37.7	11%	0.112	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	113.6	-179.2	-172.1	4.2	0	0	0	111	L468 R469 L470 N471 E494 N515	L468-D492 PolarHBondContact O-N 3.21Å; R469-D492 HydrophobicContact CB-CB 4.33Å; R469-D492 HydrophobicContact CG-CB 4.07Å; L470-D492 CarbonylContact C-O 3.45Å; L470-D492 WeakPolarHBondContact CA-O 3.37Å; L470-D492 WeakPolarHBondContact CB-O 3.14Å; L470-D492 PolarHBondContact N-O 3.46Å; N471-D492 PolarHBondContact N-O 2.97Å; D492-E494 PolarHBondContact OD1-N 2.95Å; D492-N515 HydrophobicContact CB-CB 4.47Å; D492-N515 WeakPolarHBondContact OD1-CB 3.46Å; D492-N515 PolarHBondContact OD1-ND2 3.46Å
493	L	98.7	Very high	97.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.229	C	C	.	.			trans	-126.1	17.3	-175.5	-64.2	160	0	0	0	111.3	L470 L475 L478 L491 N496 L498 L501 N515 V516 N519	L470-L493 HydrophobicContact CB-CD2 3.94Å; L470-L493 HydrophobicContact CD1-CD2 3.85Å; L475-L493 HydrophobicContact CD1-CD2 4.12Å; L478-L493 HydrophobicContact CD1-CD1 3.71Å; L478-L493 HydrophobicContact CD1-CD2 4.39Å; L478-L493 HydrophobicContact CD2-CD2 3.87Å; L491-L493 HydrophobicContact CD1-CD1 4.09Å; L491-L493 HydrophobicContact CD1-CD2 4.28Å; L491-L493 HydrophobicContact CD1-CG 3.99Å; L491-L493 HydrophobicContact CD2-CD1 3.87Å; L491-L493 HydrophobicContact CG-CD1 3.74Å; L491-L493 HydrophobicContact CG-CG 4.03Å; L493-N496 PolarHBondContact O-ND2 3.39Å; L493-L498 HydrophobicContact CB-CD1 4Å; L493-L498 HydrophobicContact CD1-CD1 3.93Å; L493-L498 HydrophobicContact CD2-CD1 4.26Å; L493-L498 HydrophobicContact CG-CD1 4.3Å; L493-L501 HydrophobicContact CD1-CD2 4.46Å; L493-N515 CarbonylContact C-O 3.08Å; L493-N515 WeakPolarHBondContact CA-O 3.33Å; L493-N515 WeakPolarHBondContact CB-O 3.31Å; L493-N515 PolarHBondContact N-O 3.41Å; L493-V516 HydrophobicContact CB-CG1 4.29Å; L493-V516 HydrophobicContact CD1-CG1 4.08Å; L493-N519 PolarHBondContact O-ND2 3.37Å
494	E	98.7	Very high	97.9	Very high	37 Å²	37	47.3 Å²	47.3	17%	0.173	24%	0.244	C	C	.	.			trans	-51.7	143.1	179.6	170.4	-177	157.7	0	0	112.2	N471 Y472 D492 N496 N515 L517	N471-E494 CarbonylContact C-O 3.42Å; N471-E494 WeakPolarHBondContact CA-O 3.36Å; N471-E494 HydrophobicContact CB-CB 3.91Å; Y472-E494 HydrophobicContact CE2-CG 4.24Å; Y472-E494 WeakPolarHBondContact CE2-OE1 3.43Å; Y472-E494 PolarHBondContact N-O 3.42Å; Y472-E494 PolarHBondContact OH-OE1 3.37Å; D492-E494 PolarHBondContact OD1-N 2.95Å; E494-N496 PolarHBondContact O-ND2 3.3Å; E494-N515 WeakPolarHBondContact CB-ND2 3.49Å; E494-N515 PolarHBondContact OE2-ND2 3.23Å; E494-N515 VanDerWaalsContact OE2-ND2 3.13Å; E494-L517 CarbonylContact C-O 3.48Å; E494-L517 WeakPolarHBondContact CA-O 3.27Å; E494-L517 HydrophobicContact CB-CB 4.34Å; E494-L517 HydrophobicContact CG-CB 4.09Å; E494-L517 HydrophobicContact CG-CD2 4.16Å; E494-L517 HydrophobicContact CG-CG 4.34Å
495	S	98.5	Very high	97.9	Very high	26 Å²	26	42.4 Å²	42.4	18%	0.182	22%	0.221	C	C	.	.	S	Bend	trans	54.8	58	175.7	-62.9	0	0	0	0	112.7	Y472 N473 L517 C518	Y472-S495 VanDerWaalsContact CA-O 3.3Å; Y472-S495 WeakPolarHBondContact CA-O 3.46Å; Y472-S495 PolarHBondContact N-O 3.3Å; N473-S495 PolarHBondContact N-O 2.88Å; S495-L517 PolarHBondContact N-O 3.38Å; S495-C518 WeakPolarHBondContact CA-O 3.46Å; S495-C518 PolarHBondContact N-O 3.31Å
496	N	98.6	Very high	97.8	Very high	6 Å²	6	44 Å²	44	3%	0.032	23%	0.232	C	C	.	.			trans	-121.5	-169.3	169.9	-85	-82.1	0	0	0	109.8	L470 N473 Q474 L475 L493 E494 L498 C518 N519	L470-N496 PolarHBondContact O-ND2 2.9Å; N473-N496 WeakPolarHBondContact CA-OD1 3.48Å; N473-N496 WeakPolarHBondContact CB-OD1 3.28Å; N473-N496 PolarHBondContact O-OD1 2.68Å; Q474-N496 PolarHBondContact N-OD1 3.02Å; L475-N496 HydrophobicContact CB-CB 4.36Å; L475-N496 WeakPolarHBondContact CB-OD1 3.14Å; L475-N496 WeakPolarHBondContact CG-OD1 3.41Å; L475-N496 PolarHBondContact N-OD1 3.2Å; L493-N496 PolarHBondContact O-ND2 3.39Å; E494-N496 PolarHBondContact O-ND2 3.3Å; N496-L498 HydrophobicContact CB-CG 4.2Å; N496-C518 PolarHBondContact N-O 3.09Å; N496-N519 WeakPolarHBondContact CA-OD1 3.39Å; N496-N519 WeakPolarHBondContact CB-OD1 3.47Å; N496-N519 PolarHBondContact O-OD1 3.3Å
497	L	98.3	Very high	97.8	Very high	59 Å²	59	42.3 Å²	42.3	31%	0.309	23%	0.225	S	C	.	.			trans	-114.7	25.3	-178.5	-56.1	177.4	0	0	0	111.9	L475 T476 E499	L475-L497 CarbonylContact O-C 3.58Å; L475-L497 VanDerWaalsContact O-CA 3.28Å; L475-L497 WeakPolarHBondContact O-CA 3.19Å; L475-L497 WeakPolarHBondContact O-CB 3.37Å; L475-L497 PolarHBondContact O-N 2.89Å; T476-L497 HydrophobicContact CG2-CB 4.23Å; L497-E499 PolarHBondContact O-N 3.04Å
498	L	98.3	Very high	97.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.204	C	C	.	.			trans	-66.7	121.6	-172.8	-62	172.4	0	0	0	111.1	L475 L478 L493 N496 L501 N519 R520 L521	L475-L498 HydrophobicContact CB-CD2 4.09Å; L475-L498 PolarHBondContact O-N 2.87Å; L478-L498 HydrophobicContact CD2-CD2 4.34Å; L478-L498 HydrophobicContact CG-CD2 4.09Å; L493-L498 HydrophobicContact CB-CD1 4Å; L493-L498 HydrophobicContact CD1-CD1 3.93Å; L493-L498 HydrophobicContact CD2-CD1 4.26Å; L493-L498 HydrophobicContact CG-CD1 4.3Å; N496-L498 HydrophobicContact CB-CG 4.2Å; L498-L501 HydrophobicContact CD1-CD2 4.35Å; L498-N519 HydrophobicContact CB-CB 4.36Å; L498-N519 VanDerWaalsContact CB-OD1 3.29Å; L498-N519 WeakPolarHBondContact CB-OD1 3.29Å; L498-N519 WeakPolarHBondContact CG-OD1 3.21Å; L498-N519 PolarHBondContact N-OD1 3.27Å; L498-N519 VanDerWaalsContact N-OD1 3.09Å; L498-R520 CarbonylContact O-C 3.08Å; L498-R520 VanDerWaalsContact O-CA 3.27Å; L498-R520 WeakPolarHBondContact O-CA 3.49Å; L498-R520 WeakPolarHBondContact O-CB 3.43Å; L498-R520 PolarHBondContact O-N 3.12Å; L498-L521 HydrophobicContact CB-CD2 4.07Å; L498-L521 PolarHBondContact O-N 2.95Å
499	E	96.7	Very high	97.7	Very high	117 Å²	117	41 Å²	41	55%	0.547	23%	0.225	S	C	.	.	S	Bend	trans	-88	-26.7	174.3	-62.2	-172.7	-177.5	0	0	112.4	L497 R520	L497-E499 PolarHBondContact O-N 3.04Å; E499-R520 HydrophobicContact CG-CB 4.37Å
500	S	97.3	Very high	97.7	Very high	67 Å²	67	37.5 Å²	37.5	47%	0.469	22%	0.215	S	C	.	.			trans	-152.7	158.5	175.1	64.8	0	0	0	0	111.3
501	L	97.6	Very high	97.7	Very high	8 Å²	8	35.6 Å²	35.6	4%	0.042	21%	0.205	C	C	.	.			trans	-89.1	164.1	164.2	-61.8	176.6	0	0	0	110	L478 L493 L498 L505 L514 V516 L521 F524 P525	L478-L501 HydrophobicContact CD1-CD2 4.15Å; L493-L501 HydrophobicContact CD1-CD2 4.46Å; L498-L501 HydrophobicContact CD1-CD2 4.35Å; L501-L505 HydrophobicContact CD1-CD1 4.2Å; L501-L514 HydrophobicContact CD1-CD2 4.18Å; L501-V516 HydrophobicContact CD2-CG1 4.2Å; L501-L521 HydrophobicContact CD1-CD1 4.47Å; L501-L521 HydrophobicContact CD2-CD2 4.5Å; L501-L521 HydrophobicContact CG-CD1 4.3Å; L501-L521 HydrophobicContact CG-CD2 4.19Å; L501-F524 HydrophobicContact CD1-CD1 4.03Å; L501-F524 HydrophobicContact CD1-CE1 4.4Å; L501-P525 HydrophobicContact CB-CG 4.49Å
502	P	97.2	Very high	97.7	Very high	7 Å²	7	38 Å²	38	5%	0.045	22%	0.216	C	C	.	.			trans	-51.4	139.7	170.9	-28.3	35.9	0	0	0	111.8	L478 I482 T483 D504 L505 P525	L478-P502 HydrophobicContact CB-CG 4.06Å; I482-P502 HydrophobicContact CG2-CG 4.07Å; T483-P502 HydrophobicContact CG2-CB 4.02Å; T483-P502 HydrophobicContact CG2-CG 4.41Å; P502-D504 PolarHBondContact O-N 3.05Å; P502-D504 VanDerWaalsContact O-N 3.14Å; P502-L505 HydrophobicContact CB-CD2 4.24Å; P502-L505 HydrophobicContact CG-CD2 4.41Å; P502-P525 WeakPolarHBondContact O-CG 3.34Å
503	N	95.9	Very high	97.7	Very high	143 Å²	143	40.5 Å²	40.5	77%	0.765	23%	0.228	S	C	*	.	S	Bend	trans	-62.5	-25.4	-174.5	-71.9	-36.5	0	0	0	113.1	P525 S527	N503-P525 WeakPolarHBondContact O-CB 3.46Å; N503-S527 PolarHBondContact O-OG 3.13Å
504	D	96.7	Very high	97.7	Very high	82 Å²	82	40.7 Å²	40.7	44%	0.439	23%	0.229	S	C	.	.			trans	-122.2	101.9	177.9	-174.1	14.2	0	0	0	111.9	T483 P502 S506 S527	T483-D504 WeakPolarHBondContact CG2-O 3.35Å; P502-D504 PolarHBondContact O-N 3.05Å; P502-D504 VanDerWaalsContact O-N 3.14Å; D504-S506 VanDerWaalsContact CG-OG 3.23Å; D504-S506 WeakPolarHBondContact OD1-CB 3.37Å; D504-S506 PolarHBondContact OD1-N 2.76Å; D504-S506 PolarHBondContact OD1-OG 2.78Å; D504-S506 PolarHBondContact OD2-OG 3Å; D504-S506 VanDerWaalsContact OD2-OG 3.07Å; D504-S527 WeakPolarHBondContact CA-OG 3.5Å
505	L	97.2	Very high	97.7	Very high	9 Å²	9	39.7 Å²	39.7	5%	0.047	23%	0.225	C	C	.	.			trans	-89.5	0.1	175	-60.1	177.6	0	0	0	113	L501 P502 G507 L508 P525 S527 I528 L531	L501-L505 HydrophobicContact CD1-CD1 4.2Å; P502-L505 HydrophobicContact CB-CD2 4.24Å; P502-L505 HydrophobicContact CG-CD2 4.41Å; L505-G507 PolarHBondContact O-N 2.91Å; L505-L508 HydrophobicContact CD2-CD1 4.38Å; L505-L508 PolarHBondContact O-N 3.04Å; L505-P525 HydrophobicContact CD1-CG 3.6Å; L505-P525 HydrophobicContact CG-CG 3.83Å; L505-S527 PolarHBondContact N-OG 3.14Å; L505-I528 HydrophobicContact CD1-CD1 3.69Å; L505-L531 HydrophobicContact CB-CD1 4.31Å; L505-L531 HydrophobicContact CB-CD2 4.48Å; L505-L531 VanDerWaalsContact O-CD2 3.31Å; L505-L531 WeakPolarHBondContact O-CD2 3.4Å
506	S	95.6	Very high	97.7	Very high	36 Å²	36	38.5 Å²	38.5	25%	0.252	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-30	-169.1	65.2	0	0	0	0	114.7	D504 L508 T509	D504-S506 VanDerWaalsContact CG-OG 3.23Å; D504-S506 WeakPolarHBondContact OD1-CB 3.37Å; D504-S506 PolarHBondContact OD1-N 2.76Å; D504-S506 PolarHBondContact OD1-OG 2.78Å; D504-S506 PolarHBondContact OD2-OG 3Å; D504-S506 VanDerWaalsContact OD2-OG 3.07Å; S506-L508 VanDerWaalsContact C-N 3.31Å; S506-L508 PolarHBondContact O-N 3.07Å; S506-T509 WeakPolarHBondContact O-CG2 3.42Å
507	G	96.5	Very high	97.6	Very high	24 Å²	24	39.9 Å²	39.9	25%	0.247	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-20.4	-179.9	0	0	0	0	0	114.9	T483 S486 L505 T509	T483-G507 CarbonylContact O-C 3.25Å; T483-G507 WeakPolarHBondContact O-CA 3.43Å; S486-G507 WeakPolarHBondContact CA-O 3.16Å; L505-G507 PolarHBondContact O-N 2.91Å; G507-T509 PolarHBondContact O-N 2.91Å
508	L	97.9	Very high	97.6	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.016	22%	0.224	C	C	.	.			trans	-77.3	46.1	178.2	-59.5	179.5	0	0	0	112.5	I482 L485 L488 L505 S506 S510 L511 L531	I482-L508 WeakPolarHBondContact O-CD2 3.3Å; L485-L508 HydrophobicContact CB-CD2 4.26Å; L488-L508 HydrophobicContact CB-CD2 4.28Å; L488-L508 HydrophobicContact CD2-CD2 4.11Å; L505-L508 HydrophobicContact CD2-CD1 4.38Å; L505-L508 PolarHBondContact O-N 3.04Å; S506-L508 VanDerWaalsContact C-N 3.31Å; S506-L508 PolarHBondContact O-N 3.07Å; L508-S510 PolarHBondContact O-N 2.72Å; L508-L511 HydrophobicContact CB-CB 4.16Å; L508-L511 HydrophobicContact CD1-CD2 4.15Å; L508-L511 WeakPolarHBondContact O-CB 3.44Å; L508-L511 PolarHBondContact O-N 2.97Å; L508-L531 HydrophobicContact CB-CD2 3.95Å; L508-L531 WeakPolarHBondContact O-CD2 3.02Å
509	T	97	Very high	97.7	Very high	72 Å²	72	39.8 Å²	39.8	44%	0.442	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-12.6	-172.2	61	0	0	0	0	115.9	S486 S506 G507 K533	S486-T509 PolarHBondContact O-OG1 2.99Å; S506-T509 WeakPolarHBondContact O-CG2 3.42Å; G507-T509 PolarHBondContact O-N 2.91Å; T509-K533 WeakPolarHBondContact O-CD 3.31Å; T509-K533 PolarHBondContact O-NZ 3.09Å
510	S	98.1	Very high	97.7	Very high	23 Å²	23	39.9 Å²	39.9	16%	0.161	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-1.6	177.6	-61.7	0	0	0	0	114.6	S486 L488 L508 Q512	S486-S510 WeakPolarHBondContact O-CB 3.43Å; S486-S510 PolarHBondContact O-N 3.01Å; S486-S510 PolarHBondContact O-OG 3.41Å; L488-S510 CarbonylContact O-C 3.09Å; L508-S510 PolarHBondContact O-N 2.72Å; S510-Q512 WeakPolarHBondContact O-CG 3.16Å; S510-Q512 PolarHBondContact O-N 2.87Å
511	L	98.6	Very high	97.8	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.01	20%	0.199	C	C	.	.			trans	-64.1	130.9	-172.8	-156.7	71.6	0	0	0	110.8	L488 L491 L508 L514 L531 K533 L534	L488-L511 HydrophobicContact CB-CD1 4.43Å; L488-L511 HydrophobicContact CD2-CD1 4.21Å; L488-L511 HydrophobicContact CG-CD1 4.1Å; L488-L511 WeakPolarHBondContact O-CA 3.19Å; L488-L511 PolarHBondContact O-N 2.9Å; L491-L511 HydrophobicContact CB-CD1 3.87Å; L508-L511 HydrophobicContact CB-CB 4.16Å; L508-L511 HydrophobicContact CD1-CD2 4.15Å; L508-L511 WeakPolarHBondContact O-CB 3.44Å; L508-L511 PolarHBondContact O-N 2.97Å; L511-L514 HydrophobicContact CD2-CB 4.15Å; L511-L514 HydrophobicContact CD2-CD1 4.49Å; L511-L531 HydrophobicContact CD2-CD1 3.85Å; L511-K533 CarbonylContact O-C 3.06Å; L511-L534 HydrophobicContact CB-CD1 4.36Å; L511-L534 HydrophobicContact CD2-CD1 4.02Å; L511-L534 HydrophobicContact CG-CD1 4.01Å; L511-L534 VanDerWaalsContact O-CA 3.31Å; L511-L534 WeakPolarHBondContact O-CA 3.42Å; L511-L534 PolarHBondContact O-N 2.8Å; L511-L534 VanDerWaalsContact O-N 3.08Å
512	Q	98.7	Very high	97.7	Very high	55 Å²	55	42.4 Å²	42.4	26%	0.257	22%	0.224	S	C	.	.			trans	-119.5	-33	-178.6	-65.4	-178.2	44.8	0	0	111.5	R489 S510 K535 V536	R489-Q512 WeakPolarHBondContact O-CA 3.31Å; R489-Q512 PolarHBondContact O-N 3.39Å; S510-Q512 WeakPolarHBondContact O-CG 3.16Å; S510-Q512 PolarHBondContact O-N 2.87Å; Q512-K535 PolarHBondContact O-N 2.87Å; Q512-V536 PolarHBondContact O-N 3.18Å; Q512-V536 VanDerWaalsContact O-N 3.09Å
513	E	98.7	Very high	97.8	Very high	74 Å²	74	44.4 Å²	44.4	35%	0.346	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	124.5	179.9	-108.5	171.6	179.4	0	0	109.9	R489 I490 L491 V536	R489-E513 PolarHBondContact O-N 3.42Å; I490-E513 HydrophobicContact CB-CB 4.47Å; I490-E513 HydrophobicContact CG1-CB 4.13Å; I490-E513 HydrophobicContact CG2-CB 4.31Å; L491-E513 PolarHBondContact N-O 3.26Å; E513-V536 HydrophobicContact CG-CB 3.6Å; E513-V536 HydrophobicContact CG-CG1 4.14Å; E513-V536 HydrophobicContact CG-CG2 4.03Å
514	L	98.7	Very high	97.8	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.026	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	110.6	170.5	177.3	61.9	0	0	0	108.5	L491 L501 L511 V516 I528 L534 V536 I537 M538	L491-L514 HydrophobicContact CB-CD1 4.25Å; L491-L514 HydrophobicContact CD2-CD1 4.02Å; L491-L514 HydrophobicContact CG-CD1 4.16Å; L501-L514 HydrophobicContact CD1-CD2 4.18Å; L511-L514 HydrophobicContact CD2-CB 4.15Å; L511-L514 HydrophobicContact CD2-CD1 4.49Å; L514-V516 HydrophobicContact CD1-CG1 3.84Å; L514-V516 HydrophobicContact CG-CG1 4.06Å; L514-I528 HydrophobicContact CD2-CD1 4.02Å; L514-L534 HydrophobicContact CB-CD1 4.08Å; L514-V536 PolarHBondContact N-O 2.96Å; L514-I537 WeakPolarHBondContact O-CA 3.26Å; L514-M538 PolarHBondContact O-N 2.64Å
515	N	98.7	Very high	97.9	Very high	16 Å²	16	34.8 Å²	34.8	9%	0.086	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	114.8	172.6	-174.5	9.1	0	0	0	109.6	L491 D492 L493 E494 L517 M538	L491-N515 PolarHBondContact O-N 3.08Å; D492-N515 HydrophobicContact CB-CB 4.47Å; D492-N515 WeakPolarHBondContact OD1-CB 3.46Å; D492-N515 PolarHBondContact OD1-ND2 3.46Å; L493-N515 CarbonylContact C-O 3.08Å; L493-N515 WeakPolarHBondContact CA-O 3.33Å; L493-N515 WeakPolarHBondContact CB-O 3.31Å; L493-N515 PolarHBondContact N-O 3.41Å; E494-N515 WeakPolarHBondContact CB-ND2 3.49Å; E494-N515 PolarHBondContact OE2-ND2 3.23Å; E494-N515 VanDerWaalsContact OE2-ND2 3.13Å; N515-L517 WeakPolarHBondContact OD1-CB 3.43Å; N515-L517 PolarHBondContact OD1-N 2.92Å; N515-L517 VanDerWaalsContact OD1-N 3.1Å; N515-M538 HydrophobicContact CB-CB 4.27Å; N515-M538 WeakPolarHBondContact OD1-CB 3.41Å
516	V	98.6	Very high	97.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.203	C	C	.	.			trans	-128.3	22.3	175.6	-65.5	0	0	0	0	110.5	L493 L501 L514 N519 L521 F524 M538 A539 N542	L493-V516 HydrophobicContact CB-CG1 4.29Å; L493-V516 HydrophobicContact CD1-CG1 4.08Å; L501-V516 HydrophobicContact CD2-CG1 4.2Å; L514-V516 HydrophobicContact CD1-CG1 3.84Å; L514-V516 HydrophobicContact CG-CG1 4.06Å; V516-N519 WeakPolarHBondContact O-CB 3.5Å; V516-N519 PolarHBondContact O-ND2 3.21Å; V516-L521 HydrophobicContact CB-CD1 3.72Å; V516-L521 HydrophobicContact CG1-CD1 4.15Å; V516-L521 HydrophobicContact CG2-CD1 3.62Å; V516-F524 HydrophobicContact CG2-CE1 4.22Å; V516-M538 CarbonylContact C-O 3.33Å; V516-M538 WeakPolarHBondContact CA-O 3.45Å; V516-M538 WeakPolarHBondContact CG2-O 3.38Å; V516-M538 PolarHBondContact N-O 2.91Å; V516-A539 HydrophobicContact CG2-CB 3.66Å; V516-N542 PolarHBondContact O-ND2 2.84Å
517	L	98.4	Very high	97.9	Very high	36 Å²	36	35.6 Å²	35.6	19%	0.188	20%	0.195	C	C	.	.			trans	-52.2	143.7	175.2	178.5	69.1	0	0	0	110.6	E494 S495 N515 N519 M538 G540 E541	E494-L517 CarbonylContact C-O 3.48Å; E494-L517 WeakPolarHBondContact CA-O 3.27Å; E494-L517 HydrophobicContact CB-CB 4.34Å; E494-L517 HydrophobicContact CG-CB 4.09Å; E494-L517 HydrophobicContact CG-CD2 4.16Å; E494-L517 HydrophobicContact CG-CG 4.34Å; S495-L517 PolarHBondContact N-O 3.38Å; N515-L517 WeakPolarHBondContact OD1-CB 3.43Å; N515-L517 PolarHBondContact OD1-N 2.92Å; N515-L517 VanDerWaalsContact OD1-N 3.1Å; L517-N519 PolarHBondContact O-ND2 3.26Å; L517-M538 PolarHBondContact N-O 3.2Å; L517-M538 VanDerWaalsContact N-O 3.12Å; L517-G540 WeakPolarHBondContact CA-O 3.27Å; L517-G540 WeakPolarHBondContact CD1-O 3.08Å; L517-E541 HydrophobicContact CD1-CB 4.34Å; L517-E541 HydrophobicContact CD1-CG 4.46Å
518	C	98.3	Very high	98	Very high	46 Å²	46	34.4 Å²	34.4	31%	0.311	18%	0.183	S	C	.	.	S	Bend	trans	57.1	58.4	175.8	-160.8	0	0	0	0	112.2	S495 N496 G540 E541	S495-C518 WeakPolarHBondContact CA-O 3.46Å; S495-C518 PolarHBondContact N-O 3.31Å; N496-C518 PolarHBondContact N-O 3.09Å; C518-G540 PolarHBondContact N-O 2.78Å; C518-E541 WeakPolarHBondContact CA-O 3.45Å; C518-E541 HydrophobicContact CB-CB 4.34Å; C518-E541 PolarHBondContact N-O 2.93Å
519	N	98.6	Very high	97.9	Very high	11 Å²	11	34.5 Å²	34.5	6%	0.059	18%	0.184	C	C	.	.	S	Bend	trans	-129.9	-164.9	175	-85.6	-83.8	0	0	0	109.6	L493 N496 L498 V516 L517 L521 E541 N542	L493-N519 PolarHBondContact O-ND2 3.37Å; N496-N519 WeakPolarHBondContact CA-OD1 3.39Å; N496-N519 WeakPolarHBondContact CB-OD1 3.47Å; N496-N519 PolarHBondContact O-OD1 3.3Å; L498-N519 HydrophobicContact CB-CB 4.36Å; L498-N519 VanDerWaalsContact CB-OD1 3.29Å; L498-N519 WeakPolarHBondContact CB-OD1 3.29Å; L498-N519 WeakPolarHBondContact CG-OD1 3.21Å; L498-N519 PolarHBondContact N-OD1 3.27Å; L498-N519 VanDerWaalsContact N-OD1 3.09Å; V516-N519 WeakPolarHBondContact O-CB 3.5Å; V516-N519 PolarHBondContact O-ND2 3.21Å; L517-N519 PolarHBondContact O-ND2 3.26Å; N519-L521 HydrophobicContact CB-CG 4.27Å; N519-E541 PolarHBondContact N-O 3.05Å; N519-N542 WeakPolarHBondContact CA-OD1 3.46Å; N519-N542 WeakPolarHBondContact CB-OD1 3.25Å; N519-N542 PolarHBondContact O-OD1 3.42Å
520	R	97.8	Very high	97.9	Very high	118 Å²	118	36.5 Å²	36.5	45%	0.445	19%	0.189	S	C	.	.			trans	-120	27.5	-179.8	-58.6	178.2	-179.6	176.1	-0.8	112.2	L498 E499 N542	L498-R520 CarbonylContact O-C 3.08Å; L498-R520 VanDerWaalsContact O-CA 3.27Å; L498-R520 WeakPolarHBondContact O-CA 3.49Å; L498-R520 WeakPolarHBondContact O-CB 3.43Å; L498-R520 PolarHBondContact O-N 3.12Å; E499-R520 HydrophobicContact CG-CB 4.37Å; R520-N542 PolarHBondContact N-OD1 3.27Å
521	L	98.2	Very high	97.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.181	C	C	.	.			trans	-68	135.2	-176.3	-60.6	178.5	0	0	0	110.5	L498 L501 V516 N519 N542 D543 I544	L498-L521 HydrophobicContact CB-CD2 4.07Å; L498-L521 PolarHBondContact O-N 2.95Å; L501-L521 HydrophobicContact CD1-CD1 4.47Å; L501-L521 HydrophobicContact CD2-CD2 4.5Å; L501-L521 HydrophobicContact CG-CD1 4.3Å; L501-L521 HydrophobicContact CG-CD2 4.19Å; V516-L521 HydrophobicContact CB-CD1 3.72Å; V516-L521 HydrophobicContact CG1-CD1 4.15Å; V516-L521 HydrophobicContact CG2-CD1 3.62Å; N519-L521 HydrophobicContact CB-CG 4.27Å; L521-N542 HydrophobicContact CB-CB 4.47Å; L521-N542 VanDerWaalsContact CB-OD1 3.29Å; L521-N542 WeakPolarHBondContact CB-OD1 3.36Å; L521-N542 WeakPolarHBondContact CG-OD1 3.29Å; L521-N542 PolarHBondContact N-OD1 2.9Å; L521-D543 CarbonylContact O-C 3.46Å; L521-D543 WeakPolarHBondContact O-CA 3.4Å; L521-D543 PolarHBondContact O-N 3.37Å; L521-I544 WeakPolarHBondContact O-CG1 3.41Å; L521-I544 PolarHBondContact O-N 2.85Å; L521-I544 VanDerWaalsContact O-N 3.09Å
522	K	97.3	Very high	97.7	Very high	128 Å²	128	39.1 Å²	39.1	56%	0.557	20%	0.204	S	C	*	.			trans	-94.8	-29.7	174.5	-65.6	177.7	-177.6	168.2	0	113.6	I544 T545	K522-I544 CarbonylContact O-C 3.51Å; K522-I544 VanDerWaalsContact O-CA 3.27Å; K522-I544 WeakPolarHBondContact O-CA 3.4Å; K522-T545 PolarHBondContact O-N 3.5Å; K522-T545 PolarHBondContact O-OG1 2.86Å
523	T	97.4	Very high	97.7	Very high	49 Å²	49	41.1 Å²	41.1	30%	0.301	21%	0.211	S	C	.	.			trans	-162.2	173.5	178.8	-169.5	0	0	0	0	109	D546	T523-D546 WeakPolarHBondContact CB-OD2 3.12Å; T523-D546 PolarHBondContact OG1-O 3.24Å; T523-D546 PolarHBondContact OG1-OD2 3.4Å
524	F	97.5	Very high	97.7	Very high	5 Å²	5	37.6 Å²	37.6	2%	0.022	20%	0.195	C	C	.	.			trans	-98.7	148.7	168.3	-62.8	-79.8	0	0	0	110.2	L501 V516 I528 I537 A539 I544 I547 P548 L562	L501-F524 HydrophobicContact CD1-CD1 4.03Å; L501-F524 HydrophobicContact CD1-CE1 4.4Å; V516-F524 HydrophobicContact CG2-CE1 4.22Å; F524-I528 HydrophobicContact CB-CB 4.33Å; F524-I528 HydrophobicContact CB-CG2 4.12Å; F524-I537 HydrophobicContact CE1-CG2 4.3Å; F524-I537 HydrophobicContact CZ-CG2 3.89Å; F524-A539 HydrophobicContact CE1-CB 4.38Å; F524-A539 HydrophobicContact CE2-CB 4.36Å; F524-A539 HydrophobicContact CZ-CB 3.52Å; F524-I544 HydrophobicContact CE2-CD1 3.94Å; F524-I544 HydrophobicContact CZ-CD1 4.17Å; F524-I547 HydrophobicContact CD2-CD1 3.9Å; F524-I547 HydrophobicContact CE2-CD1 3.79Å; F524-P548 HydrophobicContact CB-CG 3.98Å; F524-L562 HydrophobicContact CE2-CD2 4.46Å
525	P	97.5	Very high	97.6	Very high	19 Å²	19	41.7 Å²	41.7	12%	0.123	21%	0.213	C	C	.	.			trans	-65.5	146.9	170.8	30.5	-36.5	0	0	0	110.6	L501 P502 N503 L505 S527 I528	L501-P525 HydrophobicContact CB-CG 4.49Å; P502-P525 WeakPolarHBondContact O-CG 3.34Å; N503-P525 WeakPolarHBondContact O-CB 3.46Å; L505-P525 HydrophobicContact CD1-CG 3.6Å; L505-P525 HydrophobicContact CG-CG 3.83Å; P525-S527 PolarHBondContact O-N 3.05Å; P525-I528 VanDerWaalsContact O-CB 3.31Å; P525-I528 WeakPolarHBondContact O-CB 3.37Å; P525-I528 WeakPolarHBondContact O-CG2 3.19Å; P525-I528 PolarHBondContact O-N 3.3Å
526	A	97.3	Very high	97.6	Very high	51 Å²	51	41.6 Å²	41.6	42%	0.421	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-56.4	-27.3	178.9	0	0	0	0	0	113.2	I528 G529 E550	A526-I528 PolarHBondContact O-N 3.29Å; A526-I528 VanDerWaalsContact O-N 3.13Å; A526-G529 PolarHBondContact O-N 3.12Å; A526-E550 HydrophobicContact CB-CG 4.21Å; A526-E550 VanDerWaalsContact O-CB 3.27Å; A526-E550 WeakPolarHBondContact O-CB 3.49Å
527	S	97.2	Very high	97.6	Very high	10 Å²	10	41.6 Å²	41.6	7%	0.07	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-60.9	-15.6	174.4	55	0	0	0	0	114.1	N503 D504 L505 P525 G529 Q530	N503-S527 PolarHBondContact O-OG 3.13Å; D504-S527 WeakPolarHBondContact CA-OG 3.5Å; L505-S527 PolarHBondContact N-OG 3.14Å; P525-S527 PolarHBondContact O-N 3.05Å; S527-G529 PolarHBondContact O-N 3.1Å; S527-Q530 WeakPolarHBondContact O-CB 3.43Å; S527-Q530 PolarHBondContact O-N 2.88Å
528	I	97.5	Very high	97.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-55.1	-34.3	173.4	-163.8	73.9	0	0	0	112	L505 L514 F524 P525 A526 Q530 L531 L534 P548 I551 I554	L505-I528 HydrophobicContact CD1-CD1 3.69Å; L514-I528 HydrophobicContact CD2-CD1 4.02Å; F524-I528 HydrophobicContact CB-CB 4.33Å; F524-I528 HydrophobicContact CB-CG2 4.12Å; P525-I528 VanDerWaalsContact O-CB 3.31Å; P525-I528 WeakPolarHBondContact O-CB 3.37Å; P525-I528 WeakPolarHBondContact O-CG2 3.19Å; P525-I528 PolarHBondContact O-N 3.3Å; A526-I528 PolarHBondContact O-N 3.29Å; A526-I528 VanDerWaalsContact O-N 3.13Å; I528-Q530 PolarHBondContact O-N 2.82Å; I528-Q530 VanDerWaalsContact O-N 3.11Å; I528-L531 HydrophobicContact CD1-CD1 3.75Å; I528-L531 WeakPolarHBondContact O-CB 3.33Å; I528-L531 PolarHBondContact O-N 2.92Å; I528-L531 VanDerWaalsContact O-N 3.1Å; I528-L534 HydrophobicContact CD1-CD2 4.14Å; I528-L534 HydrophobicContact CG1-CD2 4.48Å; I528-P548 HydrophobicContact CG2-CG 3.8Å; I528-I551 HydrophobicContact CG2-CD1 4.34Å; I528-I554 HydrophobicContact CG1-CD1 4.35Å; I528-I554 WeakPolarHBondContact O-CD1 3.43Å
529	G	96.2	Very high	97.6	Very high	4 Å²	4	40.7 Å²	40.7	4%	0.041	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-65.3	-12.8	178.1	0	0	0	0	0	114.5	A526 S527 E550 N553	A526-G529 PolarHBondContact O-N 3.12Å; S527-G529 PolarHBondContact O-N 3.1Å; G529-E550 WeakPolarHBondContact CA-O 3.19Å; G529-N553 WeakPolarHBondContact O-CB 3.34Å
530	Q	96.3	Very high	97.6	Very high	115 Å²	115	40.2 Å²	40.2	54%	0.537	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-86.6	-10.8	177.6	-54.3	-176	15.8	0	0	112.5	S527 I528 T532	S527-Q530 WeakPolarHBondContact O-CB 3.43Å; S527-Q530 PolarHBondContact O-N 2.88Å; I528-Q530 PolarHBondContact O-N 2.82Å; I528-Q530 VanDerWaalsContact O-N 3.11Å; Q530-T532 PolarHBondContact O-N 2.93Å
531	L	97.4	Very high	97.6	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	20%	0.199	C	C	.	.			trans	-78.6	63.8	178.3	-56.3	-172.2	0	0	0	111.3	L505 L508 L511 I528 K533 L534	L505-L531 HydrophobicContact CB-CD1 4.31Å; L505-L531 HydrophobicContact CB-CD2 4.48Å; L505-L531 VanDerWaalsContact O-CD2 3.31Å; L505-L531 WeakPolarHBondContact O-CD2 3.4Å; L508-L531 HydrophobicContact CB-CD2 3.95Å; L508-L531 WeakPolarHBondContact O-CD2 3.02Å; L511-L531 HydrophobicContact CD2-CD1 3.85Å; I528-L531 HydrophobicContact CD1-CD1 3.75Å; I528-L531 WeakPolarHBondContact O-CB 3.33Å; I528-L531 PolarHBondContact O-N 2.92Å; I528-L531 VanDerWaalsContact O-N 3.1Å; L531-K533 PolarHBondContact O-N 3.06Å; L531-L534 HydrophobicContact CB-CB 3.98Å; L531-L534 HydrophobicContact CB-CD2 4.19Å; L531-L534 HydrophobicContact CD1-CD2 4.11Å; L531-L534 WeakPolarHBondContact O-CB 3.2Å; L531-L534 PolarHBondContact O-N 2.83Å
532	T	96.3	Very high	97.6	Very high	78 Å²	78	38.9 Å²	38.9	48%	0.479	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-5	-171.4	57.1	0	0	0	0	116.1	Q530 T556	Q530-T532 PolarHBondContact O-N 2.93Å; T532-T556 VanDerWaalsContact O-CG2 3.26Å; T532-T556 WeakPolarHBondContact O-CG2 3.36Å; T532-T556 PolarHBondContact O-OG1 3.47Å
533	K	97.7	Very high	97.6	Very high	97 Å²	97	36 Å²	36	42%	0.422	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-4.7	173.6	-65.3	-173.8	-165.6	156.4	0	113.7	T509 L511 L531 K535 T556	T509-K533 WeakPolarHBondContact O-CD 3.31Å; T509-K533 PolarHBondContact O-NZ 3.09Å; L511-K533 CarbonylContact O-C 3.06Å; L531-K533 PolarHBondContact O-N 3.06Å; K533-K535 PolarHBondContact O-N 3.13Å; K533-T556 WeakPolarHBondContact CA-OG1 3.47Å
534	L	98.1	Very high	97.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.176	C	C	.	.			trans	-65.7	126	-176.9	-164.5	65.2	0	0	0	109.6	L511 L514 I528 L531 I537 I554 T556 L557	L511-L534 HydrophobicContact CB-CD1 4.36Å; L511-L534 HydrophobicContact CD2-CD1 4.02Å; L511-L534 HydrophobicContact CG-CD1 4.01Å; L511-L534 VanDerWaalsContact O-CA 3.31Å; L511-L534 WeakPolarHBondContact O-CA 3.42Å; L511-L534 PolarHBondContact O-N 2.8Å; L511-L534 VanDerWaalsContact O-N 3.08Å; L514-L534 HydrophobicContact CB-CD1 4.08Å; I528-L534 HydrophobicContact CD1-CD2 4.14Å; I528-L534 HydrophobicContact CG1-CD2 4.48Å; L531-L534 HydrophobicContact CB-CB 3.98Å; L531-L534 HydrophobicContact CB-CD2 4.19Å; L531-L534 HydrophobicContact CD1-CD2 4.11Å; L531-L534 WeakPolarHBondContact O-CB 3.2Å; L531-L534 PolarHBondContact O-N 2.83Å; L534-I537 HydrophobicContact CD2-CD1 3.63Å; L534-I537 HydrophobicContact CD2-CG1 3.59Å; L534-I537 HydrophobicContact CG-CD1 4.45Å; L534-I537 HydrophobicContact CG-CG1 4.02Å; L534-I554 HydrophobicContact CB-CG2 4Å; L534-I554 HydrophobicContact CD2-CD1 4.18Å; L534-I554 WeakPolarHBondContact O-CG2 3.31Å; L534-T556 PolarHBondContact N-OG1 2.78Å; L534-T556 CarbonylContact O-C 3.31Å; L534-T556 VanDerWaalsContact O-C 3.23Å; L534-T556 WeakPolarHBondContact O-CB 3.4Å; L534-T556 PolarHBondContact O-OG1 2.82Å; L534-L557 WeakPolarHBondContact O-CA 3.38Å; L534-L557 PolarHBondContact O-N 2.89Å
535	K	98.2	Very high	97.6	Very high	92 Å²	92	36.4 Å²	36.4	40%	0.4	19%	0.193	S	C	.	.			trans	-110.7	-37.8	-177	-65.3	172.8	-173.6	162.4	0	111.4	Q512 K533 H558 D559	Q512-K535 PolarHBondContact O-N 2.87Å; K533-K535 PolarHBondContact O-N 3.13Å; K535-H558 WeakPolarHBondContact O-CA 3.36Å; K535-H558 PolarHBondContact O-N 3.15Å; K535-D559 PolarHBondContact O-N 2.97Å
536	V	98.4	Very high	97.5	Very high	13 Å²	13	38.8 Å²	38.8	8%	0.079	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	127.7	-173.1	-179.6	0	0	0	0	109	Q512 E513 L514 M538 D559	Q512-V536 PolarHBondContact O-N 3.18Å; Q512-V536 VanDerWaalsContact O-N 3.09Å; E513-V536 HydrophobicContact CG-CB 3.6Å; E513-V536 HydrophobicContact CG-CG1 4.14Å; E513-V536 HydrophobicContact CG-CG2 4.03Å; L514-V536 PolarHBondContact N-O 2.96Å; V536-M538 HydrophobicContact CG1-CE 3.81Å; V536-M538 HydrophobicContact CG1-CG 3.98Å; V536-D559 WeakPolarHBondContact CA-O 3.42Å; V536-D559 HydrophobicContact CB-CB 4.28Å; V536-D559 HydrophobicContact CG1-CB 4Å; V536-D559 HydrophobicContact CG2-CB 4.07Å
537	I	98.4	Very high	97.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	115.2	169	-59.2	173.9	0	0	0	107.4	L514 F524 L534 A539 I551 L557 D559 L560 H561	L514-I537 WeakPolarHBondContact O-CA 3.26Å; F524-I537 HydrophobicContact CE1-CG2 4.3Å; F524-I537 HydrophobicContact CZ-CG2 3.89Å; L534-I537 HydrophobicContact CD2-CD1 3.63Å; L534-I537 HydrophobicContact CD2-CG1 3.59Å; L534-I537 HydrophobicContact CG-CD1 4.45Å; L534-I537 HydrophobicContact CG-CG1 4.02Å; I537-A539 HydrophobicContact CG2-CB 4.11Å; I537-I551 HydrophobicContact CD1-CD1 3.88Å; I537-L557 HydrophobicContact CD1-CD1 3.75Å; I537-L557 HydrophobicContact CD1-CD2 4.5Å; I537-L557 HydrophobicContact CG1-CD1 3.81Å; I537-D559 PolarHBondContact N-O 2.9Å; I537-L560 HydrophobicContact CB-CD1 3.89Å; I537-L560 HydrophobicContact CD1-CD1 4.36Å; I537-L560 HydrophobicContact CG2-CD1 4Å; I537-H561 PolarHBondContact O-N 3.26Å
538	M	98.6	Very high	97.4	Very high	64 Å²	64	37.1 Å²	37.1	32%	0.315	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	106.4	170.8	-58.9	-177	-168.8	0	0	109	L514 N515 V516 L517 V536	L514-M538 PolarHBondContact O-N 2.64Å; N515-M538 HydrophobicContact CB-CB 4.27Å; N515-M538 WeakPolarHBondContact OD1-CB 3.41Å; V516-M538 CarbonylContact C-O 3.33Å; V516-M538 WeakPolarHBondContact CA-O 3.45Å; V516-M538 WeakPolarHBondContact CG2-O 3.38Å; V516-M538 PolarHBondContact N-O 2.91Å; L517-M538 PolarHBondContact N-O 3.2Å; L517-M538 VanDerWaalsContact N-O 3.12Å; V536-M538 HydrophobicContact CG1-CE 3.81Å; V536-M538 HydrophobicContact CG1-CG 3.98Å
539	A	98.2	Very high	97.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.209	C	C	.	.			trans	-137.9	31.6	-176.1	0	0	0	0	0	112.1	V516 F524 I537 N542 I544 H561 L562 N565	V516-A539 HydrophobicContact CG2-CB 3.66Å; F524-A539 HydrophobicContact CE1-CB 4.38Å; F524-A539 HydrophobicContact CE2-CB 4.36Å; F524-A539 HydrophobicContact CZ-CB 3.52Å; I537-A539 HydrophobicContact CG2-CB 4.11Å; A539-N542 PolarHBondContact O-ND2 3.32Å; A539-I544 HydrophobicContact CB-CD1 4Å; A539-H561 CarbonylContact C-O 3.42Å; A539-H561 VanDerWaalsContact C-O 3.25Å; A539-H561 WeakPolarHBondContact CA-O 3.32Å; A539-H561 PolarHBondContact N-O 3.11Å; A539-L562 HydrophobicContact CB-CD2 4.22Å; A539-N565 PolarHBondContact O-ND2 2.94Å
540	G	97.4	Very high	97.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.222	C	C	.	.			trans	-67.3	167.9	170.4	0	0	0	0	0	111.9	L517 C518 N542 H561 N563	L517-G540 WeakPolarHBondContact CA-O 3.27Å; L517-G540 WeakPolarHBondContact CD1-O 3.08Å; C518-G540 PolarHBondContact N-O 2.78Å; G540-N542 VanDerWaalsContact C-N 3.33Å; G540-N542 PolarHBondContact O-N 3.19Å; G540-N542 PolarHBondContact O-ND2 3.16Å; G540-H561 PolarHBondContact N-O 3.1Å; G540-N563 CarbonylContact C-O 3.51Å; G540-N563 WeakPolarHBondContact CA-O 3.46Å
541	E	98	Very high	97.3	Very high	87 Å²	87	37.9 Å²	37.9	41%	0.407	20%	0.196	S	C	.	.	S	Bend	trans	50.2	52.2	175.3	-63.7	179	-132.9	0	0	112.4	L517 C518 N519 N563 N564	L517-E541 HydrophobicContact CD1-CB 4.34Å; L517-E541 HydrophobicContact CD1-CG 4.46Å; C518-E541 WeakPolarHBondContact CA-O 3.45Å; C518-E541 HydrophobicContact CB-CB 4.34Å; C518-E541 PolarHBondContact N-O 2.93Å; N519-E541 PolarHBondContact N-O 3.05Å; E541-N563 PolarHBondContact N-O 3.02Å; E541-N564 WeakPolarHBondContact CA-O 3.27Å; E541-N564 HydrophobicContact CB-CB 4.48Å; E541-N564 HydrophobicContact CG-CB 3.66Å
542	N	98.3	Very high	97.1	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.021	20%	0.199	C	C	.	.	S	Bend	trans	-127.1	-175.7	175.2	-86.1	-90.4	0	0	0	109.7	V516 N519 R520 L521 A539 G540 I544 N565	V516-N542 PolarHBondContact O-ND2 2.84Å; N519-N542 WeakPolarHBondContact CA-OD1 3.46Å; N519-N542 WeakPolarHBondContact CB-OD1 3.25Å; N519-N542 PolarHBondContact O-OD1 3.42Å; R520-N542 PolarHBondContact N-OD1 3.27Å; L521-N542 HydrophobicContact CB-CB 4.47Å; L521-N542 VanDerWaalsContact CB-OD1 3.29Å; L521-N542 WeakPolarHBondContact CB-OD1 3.36Å; L521-N542 WeakPolarHBondContact CG-OD1 3.29Å; L521-N542 PolarHBondContact N-OD1 2.9Å; A539-N542 PolarHBondContact O-ND2 3.32Å; G540-N542 VanDerWaalsContact C-N 3.33Å; G540-N542 PolarHBondContact O-N 3.19Å; G540-N542 PolarHBondContact O-ND2 3.16Å; N542-I544 HydrophobicContact CB-CD1 4.17Å; N542-I544 HydrophobicContact CB-CG1 3.87Å; N542-N565 WeakPolarHBondContact CA-OD1 3.44Å; N542-N565 WeakPolarHBondContact CB-OD1 3.44Å; N542-N565 PolarHBondContact N-OD1 3.1Å; N542-N565 PolarHBondContact O-OD1 3.18Å
543	D	97.4	Very high	97	Very high	68 Å²	68	39 Å²	39	36%	0.364	20%	0.201	S	C	.	.			trans	-103.6	30.4	176.3	-72.9	-48.2	0	0	0	112.1	L521 T545	L521-D543 CarbonylContact O-C 3.46Å; L521-D543 WeakPolarHBondContact O-CA 3.4Å; L521-D543 PolarHBondContact O-N 3.37Å; D543-T545 PolarHBondContact O-N 3.42Å
544	I	97.9	Very high	97	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.181	C	C	.	.			trans	-64.1	124.4	-170.3	-61.7	172.3	0	0	0	110.8	L521 K522 F524 A539 N542 D546 I547 L562 N565 N567 L568	L521-I544 WeakPolarHBondContact O-CG1 3.41Å; L521-I544 PolarHBondContact O-N 2.85Å; L521-I544 VanDerWaalsContact O-N 3.09Å; K522-I544 CarbonylContact O-C 3.51Å; K522-I544 VanDerWaalsContact O-CA 3.27Å; K522-I544 WeakPolarHBondContact O-CA 3.4Å; F524-I544 HydrophobicContact CE2-CD1 3.94Å; F524-I544 HydrophobicContact CZ-CD1 4.17Å; A539-I544 HydrophobicContact CB-CD1 4Å; N542-I544 HydrophobicContact CB-CD1 4.17Å; N542-I544 HydrophobicContact CB-CG1 3.87Å; I544-D546 VanDerWaalsContact CG2-O 3.23Å; I544-D546 WeakPolarHBondContact CG2-O 3.05Å; I544-I547 HydrophobicContact CG2-CD1 3.71Å; I544-L562 HydrophobicContact CD1-CD2 3.9Å; I544-N565 HydrophobicContact CB-CB 4.34Å; I544-N565 VanDerWaalsContact CB-OD1 3.25Å; I544-N565 WeakPolarHBondContact CB-OD1 3.37Å; I544-N565 VanDerWaalsContact CG1-OD1 3.31Å; I544-N565 WeakPolarHBondContact CG1-OD1 3.26Å; I544-N565 PolarHBondContact N-OD1 3.18Å; I544-N567 CarbonylContact O-C 3.11Å; I544-L568 HydrophobicContact CG2-CD1 4.25Å; I544-L568 WeakPolarHBondContact O-CA 3.4Å; I544-L568 WeakPolarHBondContact O-CB 3.27Å; I544-L568 PolarHBondContact O-N 3.14Å; I544-L568 VanDerWaalsContact O-N 3.09Å
545	T	96.9	Very high	96.7	Very high	61 Å²	61	37.8 Å²	37.8	37%	0.374	20%	0.203	S	C	.	.			trans	-95.8	-35.7	178	48.6	0	0	0	0	112.6	K522 D543 N567	K522-T545 PolarHBondContact O-N 3.5Å; K522-T545 PolarHBondContact O-OG1 2.86Å; D543-T545 PolarHBondContact O-N 3.42Å; T545-N567 HydrophobicContact CG2-CB 3.94Å
546	D	95.3	Very high	96.6	Very high	70 Å²	70	34.9 Å²	34.9	37%	0.374	19%	0.193	S	C	.	.			trans	-150.5	159.5	-174.1	57.6	-85.3	0	0	0	110.9	T523 I544	T523-D546 WeakPolarHBondContact CB-OD2 3.12Å; T523-D546 PolarHBondContact OG1-O 3.24Å; T523-D546 PolarHBondContact OG1-OD2 3.4Å; I544-D546 VanDerWaalsContact CG2-O 3.23Å; I544-D546 WeakPolarHBondContact CG2-O 3.05Å
547	I	96	Very high	96.6	Very high	11 Å²	11	34.2 Å²	34.2	6%	0.056	19%	0.189	C	C	.	.			trans	-120.1	130.6	174.5	-55.9	-66.7	0	0	0	106.8	F524 I544 I551 L562 L568 L571 P572	F524-I547 HydrophobicContact CD2-CD1 3.9Å; F524-I547 HydrophobicContact CE2-CD1 3.79Å; I544-I547 HydrophobicContact CG2-CD1 3.71Å; I547-I551 HydrophobicContact CG2-CB 3.87Å; I547-I551 HydrophobicContact CG2-CD1 4.48Å; I547-I551 HydrophobicContact CG2-CG1 4.07Å; I547-I551 HydrophobicContact CG2-CG2 3.81Å; I547-L562 HydrophobicContact CD1-CD1 4.1Å; I547-L562 HydrophobicContact CD1-CD2 3.83Å; I547-L562 HydrophobicContact CG1-CD1 4.25Å; I547-L568 HydrophobicContact CG1-CD1 4.28Å; I547-L571 HydrophobicContact CG1-CD2 4.4Å; I547-P572 HydrophobicContact CB-CG 4.08Å; I547-P572 HydrophobicContact CG2-CG 4.11Å
548	P	96.5	Very high	96.4	Very high	15 Å²	15	37.6 Å²	37.6	10%	0.097	21%	0.205	C	C	.	.			trans	-61.7	144.7	179.6	25.8	-35.5	0	0	0	111.6	F524 I528 E550 I551	F524-P548 HydrophobicContact CB-CG 3.98Å; I528-P548 HydrophobicContact CG2-CG 3.8Å; P548-E550 WeakPolarHBondContact CB-OE2 3.28Å; P548-E550 PolarHBondContact O-N 3.28Å; P548-I551 WeakPolarHBondContact O-CB 3.35Å; P548-I551 VanDerWaalsContact O-CG2 3.27Å; P548-I551 WeakPolarHBondContact O-CG2 3.35Å; P548-I551 PolarHBondContact O-N 3.2Å
549	V	95.8	Very high	96.3	Very high	70 Å²	70	35.9 Å²	35.9	42%	0.424	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-60.7	-27.4	179	-63.2	0	0	0	0	111.8	I551 G552 P572 E574	V549-I551 PolarHBondContact O-N 2.92Å; V549-I551 VanDerWaalsContact O-N 3.1Å; V549-G552 PolarHBondContact O-N 3.47Å; V549-G552 VanDerWaalsContact O-N 3.16Å; V549-P572 HydrophobicContact CG1-CB 4.13Å; V549-E574 HydrophobicContact CB-CB 4.5Å; V549-E574 HydrophobicContact CB-CG 4Å; V549-E574 WeakPolarHBondContact CG1-OE2 3.42Å; V549-E574 WeakPolarHBondContact O-CB 3.12Å
550	E	97	Very high	96.3	Very high	65 Å²	65	36 Å²	36	30%	0.304	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-62.8	-14	176.5	-65.8	78.7	-174.5	0	0	113.4	A526 G529 P548 G552 N553	A526-E550 HydrophobicContact CB-CG 4.21Å; A526-E550 VanDerWaalsContact O-CB 3.27Å; A526-E550 WeakPolarHBondContact O-CB 3.49Å; G529-E550 WeakPolarHBondContact CA-O 3.19Å; P548-E550 WeakPolarHBondContact CB-OE2 3.28Å; P548-E550 PolarHBondContact O-N 3.28Å; E550-G552 PolarHBondContact O-N 3.03Å; E550-G552 VanDerWaalsContact O-N 3.14Å; E550-N553 VanDerWaalsContact O-CB 3.23Å; E550-N553 WeakPolarHBondContact O-CB 3.24Å; E550-N553 PolarHBondContact O-N 3.1Å
551	I	95.5	Very high	96.3	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-54.4	-32	171.4	-160.5	72.4	0	0	0	111.7	I528 I537 I547 P548 V549 N553 I554 L557 P572 L575 C578	I528-I551 HydrophobicContact CG2-CD1 4.34Å; I537-I551 HydrophobicContact CD1-CD1 3.88Å; I547-I551 HydrophobicContact CG2-CB 3.87Å; I547-I551 HydrophobicContact CG2-CD1 4.48Å; I547-I551 HydrophobicContact CG2-CG1 4.07Å; I547-I551 HydrophobicContact CG2-CG2 3.81Å; P548-I551 WeakPolarHBondContact O-CB 3.35Å; P548-I551 VanDerWaalsContact O-CG2 3.27Å; P548-I551 WeakPolarHBondContact O-CG2 3.35Å; P548-I551 PolarHBondContact O-N 3.2Å; V549-I551 PolarHBondContact O-N 2.92Å; V549-I551 VanDerWaalsContact O-N 3.1Å; I551-N553 PolarHBondContact O-N 3.37Å; I551-I554 HydrophobicContact CD1-CD1 3.84Å; I551-I554 PolarHBondContact O-N 3.09Å; I551-L557 HydrophobicContact CD1-CD2 4.48Å; I551-L557 HydrophobicContact CG1-CD2 4.27Å; I551-P572 HydrophobicContact CG2-CG 3.84Å; I551-L575 HydrophobicContact CG1-CD1 4.34Å; I551-L575 HydrophobicContact CG2-CD1 4.11Å; I551-C578 PolarHBondContact O-SG 3.27Å; I551-C578 VanDerWaalsContact O-SG 3.35Å
552	G	93.2	Very high	96.2	Very high	7 Å²	7	33.8 Å²	33.8	7%	0.072	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-65.3	-14.4	176.2	0	0	0	0	0	114.3	V549 E550 I554 E574 L577	V549-G552 PolarHBondContact O-N 3.47Å; V549-G552 VanDerWaalsContact O-N 3.16Å; E550-G552 PolarHBondContact O-N 3.03Å; E550-G552 VanDerWaalsContact O-N 3.14Å; G552-I554 VanDerWaalsContact C-N 3.26Å; G552-I554 PolarHBondContact O-N 3.06Å; G552-E574 WeakPolarHBondContact CA-O 3.47Å; G552-L577 WeakPolarHBondContact O-CB 3.46Å
553	N	95.3	Very high	96.1	Very high	95 Å²	95	34.6 Å²	34.6	51%	0.508	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-82.7	2.1	178.4	-61.8	-26.7	0	0	0	113.4	G529 E550 I551 P555	G529-N553 WeakPolarHBondContact O-CB 3.34Å; E550-N553 VanDerWaalsContact O-CB 3.23Å; E550-N553 WeakPolarHBondContact O-CB 3.24Å; E550-N553 PolarHBondContact O-N 3.1Å; I551-N553 PolarHBondContact O-N 3.37Å; N553-P555 WeakPolarHBondContact O-CD 3.48Å
554	I	96.5	Very high	96	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.188	C	C	.	.			trans	-97.9	91.6	-179.1	-50.1	176.8	0	0	0	109.9	I528 L534 I551 G552 T556 L557	I528-I554 HydrophobicContact CG1-CD1 4.35Å; I528-I554 WeakPolarHBondContact O-CD1 3.43Å; L534-I554 HydrophobicContact CB-CG2 4Å; L534-I554 HydrophobicContact CD2-CD1 4.18Å; L534-I554 WeakPolarHBondContact O-CG2 3.31Å; I551-I554 HydrophobicContact CD1-CD1 3.84Å; I551-I554 PolarHBondContact O-N 3.09Å; G552-I554 VanDerWaalsContact C-N 3.26Å; G552-I554 PolarHBondContact O-N 3.06Å; I554-T556 PolarHBondContact O-N 3.02Å; I554-T556 VanDerWaalsContact O-N 3.16Å; I554-L557 HydrophobicContact CB-CB 4.13Å; I554-L557 HydrophobicContact CG2-CB 3.82Å; I554-L557 PolarHBondContact O-N 3.03Å
555	P	92.9	Very high	96	Very high	72 Å²	72	34 Å²	34	47%	0.468	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-13.6	-173.8	31.3	-38.9	0	0	0	113.4	N553 K580	N553-P555 WeakPolarHBondContact O-CD 3.48Å; P555-K580 WeakPolarHBondContact O-CD 3.46Å; P555-K580 WeakPolarHBondContact O-CG 3Å
556	T	96.2	Very high	96	Very high	30 Å²	30	34.6 Å²	34.6	18%	0.184	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-8.7	-178.1	50.5	0	0	0	0	114	T532 K533 L534 I554 H558	T532-T556 VanDerWaalsContact O-CG2 3.26Å; T532-T556 WeakPolarHBondContact O-CG2 3.36Å; T532-T556 PolarHBondContact O-OG1 3.47Å; K533-T556 WeakPolarHBondContact CA-OG1 3.47Å; L534-T556 PolarHBondContact N-OG1 2.78Å; L534-T556 CarbonylContact O-C 3.31Å; L534-T556 VanDerWaalsContact O-C 3.23Å; L534-T556 WeakPolarHBondContact O-CB 3.4Å; L534-T556 PolarHBondContact O-OG1 2.82Å; I554-T556 PolarHBondContact O-N 3.02Å; I554-T556 VanDerWaalsContact O-N 3.16Å; T556-H558 PolarHBondContact O-N 2.78Å
557	L	97.2	Very high	96	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.194	C	C	.	.			trans	-61	120.9	-175	-170.8	65.5	0	0	0	109.5	L534 I537 I551 I554 L560 K580 L581	L534-L557 WeakPolarHBondContact O-CA 3.38Å; L534-L557 PolarHBondContact O-N 2.89Å; I537-L557 HydrophobicContact CD1-CD1 3.75Å; I537-L557 HydrophobicContact CD1-CD2 4.5Å; I537-L557 HydrophobicContact CG1-CD1 3.81Å; I551-L557 HydrophobicContact CD1-CD2 4.48Å; I551-L557 HydrophobicContact CG1-CD2 4.27Å; I554-L557 HydrophobicContact CB-CB 4.13Å; I554-L557 HydrophobicContact CG2-CB 3.82Å; I554-L557 PolarHBondContact O-N 3.03Å; L557-L560 HydrophobicContact CD2-CB 4.41Å; L557-L560 HydrophobicContact CD2-CD2 4.46Å; L557-K580 CarbonylContact O-C 3.19Å; L557-L581 HydrophobicContact CD2-CD1 4.36Å; L557-L581 HydrophobicContact CG-CD1 4.19Å; L557-L581 WeakPolarHBondContact O-CA 3.19Å; L557-L581 PolarHBondContact O-N 3.38Å
558	H	95.2	Very high	96	Very high	71 Å²	71	34.2 Å²	34.2	33%	0.329	19%	0.191	S	C	.	.			trans	-115.1	-43.1	-175.1	-179.2	-82.8	0	0	0	110.9	K535 T556 K580 I582 I583	K535-H558 WeakPolarHBondContact O-CA 3.36Å; K535-H558 PolarHBondContact O-N 3.15Å; T556-H558 PolarHBondContact O-N 2.78Å; H558-K580 WeakPolarHBondContact CA-O 3.39Å; H558-I582 VanDerWaalsContact NE2-CD1 3.28Å; H558-I582 WeakPolarHBondContact NE2-CD1 3.31Å; H558-I582 PolarHBondContact O-N 3.17Å; H558-I583 PolarHBondContact O-N 2.84Å
559	D	96.3	Very high	95.8	Very high	28 Å²	28	36.2 Å²	36.2	15%	0.15	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	124.1	-179.8	-61.5	-16.1	0	0	0	110.5	K535 V536 I537 I583	K535-D559 PolarHBondContact O-N 2.97Å; V536-D559 WeakPolarHBondContact CA-O 3.42Å; V536-D559 HydrophobicContact CB-CB 4.28Å; V536-D559 HydrophobicContact CG1-CB 4Å; V536-D559 HydrophobicContact CG2-CB 4.07Å; I537-D559 PolarHBondContact N-O 2.9Å; D559-I583 CarbonylContact C-O 3.53Å; D559-I583 WeakPolarHBondContact CA-O 3.25Å; D559-I583 HydrophobicContact CB-CB 4.26Å; D559-I583 VanDerWaalsContact OD1-CB 3.26Å; D559-I583 WeakPolarHBondContact OD1-CB 3.29Å; D559-I583 WeakPolarHBondContact OD1-CD1 3.16Å; D559-I583 VanDerWaalsContact OD1-CG1 3.25Å; D559-I583 WeakPolarHBondContact OD1-CG1 3.32Å
560	L	97	Very high	95.6	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	107.1	172.5	177.2	57.4	0	0	0	109.1	I537 L557 L562 L575 L581 I583 L584 N585	I537-L560 HydrophobicContact CB-CD1 3.89Å; I537-L560 HydrophobicContact CD1-CD1 4.36Å; I537-L560 HydrophobicContact CG2-CD1 4Å; L557-L560 HydrophobicContact CD2-CB 4.41Å; L557-L560 HydrophobicContact CD2-CD2 4.46Å; L560-L562 HydrophobicContact CD1-CD1 4.26Å; L560-L562 HydrophobicContact CD1-CD2 4.18Å; L560-L562 HydrophobicContact CD1-CG 3.96Å; L560-L562 HydrophobicContact CD2-CD1 3.99Å; L560-L562 HydrophobicContact CG-CD1 4Å; L560-L562 HydrophobicContact CG-CG 4.01Å; L560-L575 HydrophobicContact CD2-CD1 3.7Å; L560-L575 HydrophobicContact CD2-CD2 4.33Å; L560-L581 HydrophobicContact CB-CD1 3.82Å; L560-I583 PolarHBondContact N-O 2.8Å; L560-L584 HydrophobicContact CB-CD1 4.11Å; L560-L584 HydrophobicContact CD2-CD1 3.95Å; L560-L584 HydrophobicContact CG-CD1 4Å; L560-L584 WeakPolarHBondContact O-CA 2.92Å; L560-N585 PolarHBondContact O-N 3.23Å
561	H	97.3	Very high	95.4	Very high	42 Å²	42	33.4 Å²	33.4	19%	0.194	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	115.5	176.9	-59.7	-109.8	0	0	0	109.7	I537 A539 G540 N585	I537-H561 PolarHBondContact O-N 3.26Å; A539-H561 CarbonylContact C-O 3.42Å; A539-H561 VanDerWaalsContact C-O 3.25Å; A539-H561 WeakPolarHBondContact CA-O 3.32Å; A539-H561 PolarHBondContact N-O 3.11Å; G540-H561 PolarHBondContact N-O 3.1Å; H561-N585 HydrophobicContact CB-CB 4.29Å
562	L	96.6	Very high	95.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.194	C	C	.	.			trans	-123.1	14.7	178.1	-67.2	171.6	0	0	0	111.1	F524 A539 I544 I547 L560 N565 L568 L571 N585 L586 C589	F524-L562 HydrophobicContact CE2-CD2 4.46Å; A539-L562 HydrophobicContact CB-CD2 4.22Å; I544-L562 HydrophobicContact CD1-CD2 3.9Å; I547-L562 HydrophobicContact CD1-CD1 4.1Å; I547-L562 HydrophobicContact CD1-CD2 3.83Å; I547-L562 HydrophobicContact CG1-CD1 4.25Å; L560-L562 HydrophobicContact CD1-CD1 4.26Å; L560-L562 HydrophobicContact CD1-CD2 4.18Å; L560-L562 HydrophobicContact CD1-CG 3.96Å; L560-L562 HydrophobicContact CD2-CD1 3.99Å; L560-L562 HydrophobicContact CG-CD1 4Å; L560-L562 HydrophobicContact CG-CG 4.01Å; L562-N565 PolarHBondContact O-ND2 3.06Å; L562-L568 HydrophobicContact CB-CD2 4.22Å; L562-L568 HydrophobicContact CD1-CD2 4.04Å; L562-L571 HydrophobicContact CD1-CD2 4.18Å; L562-N585 CarbonylContact C-O 3.18Å; L562-N585 WeakPolarHBondContact CA-O 3.4Å; L562-N585 PolarHBondContact N-O 2.87Å; L562-L586 HydrophobicContact CB-CD2 4.04Å; L562-L586 HydrophobicContact CD1-CD2 4.09Å; L562-C589 PolarHBondContact O-SG 2.82Å
563	N	95.8	Very high	95	Very high	20 Å²	20	34.5 Å²	34.5	11%	0.107	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	148.5	-177.3	55.4	-79	0	0	0	112.4	G540 E541 N565 N585 E587	G540-N563 CarbonylContact C-O 3.51Å; G540-N563 WeakPolarHBondContact CA-O 3.46Å; E541-N563 PolarHBondContact N-O 3.02Å; N563-N565 VanDerWaalsContact C-N 3.31Å; N563-N565 PolarHBondContact O-N 3.15Å; N563-N585 PolarHBondContact N-O 3.31Å; N563-N585 PolarHBondContact OD1-ND2 2.67Å; N563-E587 CarbonylContact C-O 3.33Å; N563-E587 WeakPolarHBondContact CA-O 3.4Å; N563-E587 HydrophobicContact CB-CB 4.02Å
564	N	96.8	Very high	94.9	Very high	57 Å²	57	33 Å²	33	31%	0.305	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	40.2	179.3	-52.4	-43	0	0	0	113.4	E541 P566 E587 S588	E541-N564 WeakPolarHBondContact CA-O 3.27Å; E541-N564 HydrophobicContact CB-CB 4.48Å; E541-N564 HydrophobicContact CG-CB 3.66Å; N564-P566 WeakPolarHBondContact O-CD 3.23Å; N564-E587 PolarHBondContact N-O 3.32Å; N564-S588 WeakPolarHBondContact OD1-CB 3.3Å; N564-S588 PolarHBondContact OD1-OG 3.23Å; N564-S588 VanDerWaalsContact OD1-OG 3.09Å
565	N	97.3	Very high	94.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.188	C	C	.	.			trans	-102.9	91.5	165.2	-79.9	-78.6	0	0	0	109.4	A539 N542 I544 L562 N563 N567 L568	A539-N565 PolarHBondContact O-ND2 2.94Å; N542-N565 WeakPolarHBondContact CA-OD1 3.44Å; N542-N565 WeakPolarHBondContact CB-OD1 3.44Å; N542-N565 PolarHBondContact N-OD1 3.1Å; N542-N565 PolarHBondContact O-OD1 3.18Å; I544-N565 HydrophobicContact CB-CB 4.34Å; I544-N565 VanDerWaalsContact CB-OD1 3.25Å; I544-N565 WeakPolarHBondContact CB-OD1 3.37Å; I544-N565 VanDerWaalsContact CG1-OD1 3.31Å; I544-N565 WeakPolarHBondContact CG1-OD1 3.26Å; I544-N565 PolarHBondContact N-OD1 3.18Å; L562-N565 PolarHBondContact O-ND2 3.06Å; N563-N565 VanDerWaalsContact C-N 3.31Å; N563-N565 PolarHBondContact O-N 3.15Å; N565-N567 PolarHBondContact O-N 2.89Å; N565-N567 VanDerWaalsContact O-N 3.13Å; N565-L568 HydrophobicContact CB-CB 3.98Å; N565-L568 PolarHBondContact O-N 3.35Å
566	P	95.5	Very high	94.3	Very high	72 Å²	72	32.1 Å²	32.1	47%	0.468	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-12.9	-168.8	29.1	-36.5	0	0	0	114	N564 P590	N564-P566 WeakPolarHBondContact O-CD 3.23Å; P566-P590 VanDerWaalsContact O-CG 3.3Å; P566-P590 WeakPolarHBondContact O-CG 3.36Å
567	N	95.7	Very high	94	Very high	74 Å²	74	35.9 Å²	35.9	40%	0.396	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-0.8	-179.9	-62.8	-48.3	0	0	0	113.6	I544 T545 N565 N569	I544-N567 CarbonylContact O-C 3.11Å; T545-N567 HydrophobicContact CG2-CB 3.94Å; N565-N567 PolarHBondContact O-N 2.89Å; N565-N567 VanDerWaalsContact O-N 3.13Å; N567-N569 PolarHBondContact O-N 3.18Å; N567-N569 VanDerWaalsContact O-N 3.13Å; N567-N569 PolarHBondContact O-ND2 3.25Å
568	L	96	Very high	93.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.202	C	C	.	.			trans	-77.5	100.7	-177.8	-176.9	62.4	0	0	0	110.6	I544 I547 L562 N565 S570 L571 L586 C589 P590 L591	I544-L568 HydrophobicContact CG2-CD1 4.25Å; I544-L568 WeakPolarHBondContact O-CA 3.4Å; I544-L568 WeakPolarHBondContact O-CB 3.27Å; I544-L568 PolarHBondContact O-N 3.14Å; I544-L568 VanDerWaalsContact O-N 3.09Å; I547-L568 HydrophobicContact CG1-CD1 4.28Å; L562-L568 HydrophobicContact CB-CD2 4.22Å; L562-L568 HydrophobicContact CD1-CD2 4.04Å; N565-L568 HydrophobicContact CB-CB 3.98Å; N565-L568 PolarHBondContact O-N 3.35Å; L568-S570 WeakPolarHBondContact CD1-O 3.37Å; L568-L571 HydrophobicContact CD2-CD2 4.16Å; L568-L586 HydrophobicContact CD2-CD2 4.32Å; L568-C589 HydrophobicContact CD2-CB 4.47Å; L568-P590 WeakPolarHBondContact O-CD 3.35Å; L568-P590 WeakPolarHBondContact O-CG 3.41Å; L568-L591 HydrophobicContact CD2-CD2 4.32Å; L568-L591 HydrophobicContact CG-CD2 4.06Å; L568-L591 PolarHBondContact O-N 3.16Å
569	N	93	Very high	93.1	Very high	57 Å²	57	36.4 Å²	36.4	31%	0.305	22%	0.224	S	C	.	.			trans	-99.2	-17.2	-173.1	-70.6	-67.8	0	0	0	114.4	N567 L591 R592 A593	N567-N569 PolarHBondContact O-N 3.18Å; N567-N569 VanDerWaalsContact O-N 3.13Å; N567-N569 PolarHBondContact O-ND2 3.25Å; N569-L591 CarbonylContact O-C 3.41Å; N569-L591 WeakPolarHBondContact O-CA 3.23Å; N569-R592 PolarHBondContact O-N 2.92Å; N569-R592 VanDerWaalsContact O-N 3.13Å; N569-R592 WeakPolarHBondContact OD1-CD 3.29Å; N569-R592 WeakPolarHBondContact OD1-CG 3.13Å; N569-A593 VanDerWaalsContact O-CB 3.23Å; N569-A593 WeakPolarHBondContact O-CB 3.46Å; N569-A593 PolarHBondContact O-N 2.95Å
570	S	91.8	Very high	92.9	Very high	54 Å²	54	40.9 Å²	40.9	38%	0.378	24%	0.242	S	C	.	.			trans	-150	160.8	-179	57	0	0	0	0	111.3	L568	L568-S570 WeakPolarHBondContact CD1-O 3.37Å
571	L	92	Very high	92.6	Very high	21 Å²	21	42.1 Å²	42.1	11%	0.11	25%	0.248	C	C	.	.			trans	-121	143.6	170.9	-65.9	169.8	0	0	0	109.3	I547 L562 L568 L575 L586 L591 I606 I610	I547-L571 HydrophobicContact CG1-CD2 4.4Å; L562-L571 HydrophobicContact CD1-CD2 4.18Å; L568-L571 HydrophobicContact CD2-CD2 4.16Å; L571-L575 HydrophobicContact CD1-CD2 4.46Å; L571-L586 HydrophobicContact CD1-CD1 3.89Å; L571-L586 HydrophobicContact CD1-CD2 4.19Å; L571-L586 HydrophobicContact CD2-CD2 4.37Å; L571-L591 HydrophobicContact CD1-CD2 4.22Å; L571-L591 HydrophobicContact CD2-CD2 4.48Å; L571-L591 HydrophobicContact CG-CD2 3.93Å; L571-I606 HydrophobicContact CD1-CG2 3.74Å; L571-I610 HydrophobicContact CB-CD1 4.2Å; L571-I610 HydrophobicContact CD1-CD1 4.1Å
572	P	92	Very high	92.2	Very high	15 Å²	15	45.8 Å²	45.8	10%	0.097	27%	0.268	C	S	.	.			trans	-66.5	145	176.2	27.9	-34.7	0	0	0	110.8	I547 V549 I551 E574 L575	I547-P572 HydrophobicContact CB-CG 4.08Å; I547-P572 HydrophobicContact CG2-CG 4.11Å; V549-P572 HydrophobicContact CG1-CB 4.13Å; I551-P572 HydrophobicContact CG2-CG 3.84Å; P572-E574 WeakPolarHBondContact CB-OE2 3.41Å; P572-E574 PolarHBondContact O-N 2.84Å; P572-L575 WeakPolarHBondContact O-CB 3.47Å; P572-L575 PolarHBondContact O-N 3.26Å
573	A	88.7	Confident	92	Very high	16 Å²	16	49.3 Å²	49.3	13%	0.132	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-65.1	-26.9	179.6	0	0	0	0	0	112.2	L575 S576 I610	A573-L575 PolarHBondContact O-N 3.22Å; A573-S576 WeakPolarHBondContact O-CB 3.36Å; A573-S576 PolarHBondContact O-N 3.09Å; A573-S576 VanDerWaalsContact O-N 3.15Å; A573-S576 PolarHBondContact O-OG 3.17Å; A573-I610 WeakPolarHBondContact O-CG2 3.33Å
574	E	92.2	Very high	91.9	Very high	64 Å²	64	48.7 Å²	48.7	30%	0.299	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-64.7	-17.6	179.4	-66.3	73.6	-162.1	0	0	112.7	V549 G552 P572 S576 L577	V549-E574 HydrophobicContact CB-CB 4.5Å; V549-E574 HydrophobicContact CB-CG 4Å; V549-E574 WeakPolarHBondContact CG1-OE2 3.42Å; V549-E574 WeakPolarHBondContact O-CB 3.12Å; G552-E574 WeakPolarHBondContact CA-O 3.47Å; P572-E574 WeakPolarHBondContact CB-OE2 3.41Å; P572-E574 PolarHBondContact O-N 2.84Å; E574-S576 PolarHBondContact O-N 3.13Å; E574-S576 VanDerWaalsContact O-N 3.11Å; E574-L577 HydrophobicContact CB-CD1 4.15Å; E574-L577 HydrophobicContact CG-CD1 4.3Å; E574-L577 WeakPolarHBondContact O-CB 3.16Å; E574-L577 WeakPolarHBondContact O-CG 3.38Å; E574-L577 PolarHBondContact O-N 3.19Å
575	L	90.3	Very high	91.7	Very high	5 Å²	5	48 Å²	48	3%	0.026	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-59.2	-24.3	172.2	-168.9	65.6	0	0	0	111.9	I551 L560 L571 P572 A573 L577 C578 L581 L584 I610	I551-L575 HydrophobicContact CG1-CD1 4.34Å; I551-L575 HydrophobicContact CG2-CD1 4.11Å; L560-L575 HydrophobicContact CD2-CD1 3.7Å; L560-L575 HydrophobicContact CD2-CD2 4.33Å; L571-L575 HydrophobicContact CD1-CD2 4.46Å; P572-L575 WeakPolarHBondContact O-CB 3.47Å; P572-L575 PolarHBondContact O-N 3.26Å; A573-L575 PolarHBondContact O-N 3.22Å; L575-L577 PolarHBondContact O-N 3.09Å; L575-C578 WeakPolarHBondContact O-CB 3.37Å; L575-C578 PolarHBondContact O-N 3.07Å; L575-L581 HydrophobicContact CD1-CD2 4.11Å; L575-L581 HydrophobicContact CD2-CD2 4.43Å; L575-L581 HydrophobicContact CG-CD2 4.08Å; L575-L584 HydrophobicContact CD2-CD1 4.44Å; L575-L584 HydrophobicContact CD2-CD2 4.17Å; L575-I610 HydrophobicContact CD2-CD1 4.18Å
576	S	86.9	Confident	91.5	Very high	47 Å²	47	49 Å²	49	33%	0.329	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-67.1	-16.4	172.4	64.4	0	0	0	0	114.4	A573 E574 C578	A573-S576 WeakPolarHBondContact O-CB 3.36Å; A573-S576 PolarHBondContact O-N 3.09Å; A573-S576 VanDerWaalsContact O-N 3.15Å; A573-S576 PolarHBondContact O-OG 3.17Å; E574-S576 PolarHBondContact O-N 3.13Å; E574-S576 VanDerWaalsContact O-N 3.11Å; S576-C578 VanDerWaalsContact C-N 3.3Å
577	L	89.8	Confident	91.3	Very high	109 Å²	109	51.6 Å²	51.6	57%	0.571	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-78.7	-15.6	176.3	-56.5	175.2	0	0	0	112.3	G552 E574 L575 G579	G552-L577 WeakPolarHBondContact O-CB 3.46Å; E574-L577 HydrophobicContact CB-CD1 4.15Å; E574-L577 HydrophobicContact CG-CD1 4.3Å; E574-L577 WeakPolarHBondContact O-CB 3.16Å; E574-L577 WeakPolarHBondContact O-CG 3.38Å; E574-L577 PolarHBondContact O-N 3.19Å; L575-L577 PolarHBondContact O-N 3.09Å; L577-G579 PolarHBondContact O-N 3.4Å
578	C	89.3	Confident	91.1	Very high	6 Å²	6	51.7 Å²	51.7	4%	0.041	30%	0.297	C	S	.	.			trans	-73.1	73.2	175.4	-61	0	0	0	0	110.9	I551 L575 S576 K580 L581	I551-C578 PolarHBondContact O-SG 3.27Å; I551-C578 VanDerWaalsContact O-SG 3.35Å; L575-C578 WeakPolarHBondContact O-CB 3.37Å; L575-C578 PolarHBondContact O-N 3.07Å; S576-C578 VanDerWaalsContact C-N 3.3Å; C578-K580 PolarHBondContact O-N 2.93Å; C578-L581 HydrophobicContact CB-CB 3.98Å; C578-L581 VanDerWaalsContact O-CB 3.29Å; C578-L581 WeakPolarHBondContact O-CB 3.43Å; C578-L581 PolarHBondContact O-N 3.24Å
579	G	84.8	Confident	91	Very high	76 Å²	76	52.3 Å²	52.3	78%	0.784	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-5.3	-173	0	0	0	0	0	116.4	L577	L577-G579 PolarHBondContact O-N 3.4Å
580	K	91.9	Very high	90.9	Very high	123 Å²	123	51.2 Å²	51.2	54%	0.535	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	0.5	174.1	-67.1	-167.3	-173.7	176.6	0	114	P555 L557 H558 C578 I582	P555-K580 WeakPolarHBondContact O-CD 3.46Å; P555-K580 WeakPolarHBondContact O-CG 3Å; L557-K580 CarbonylContact O-C 3.19Å; H558-K580 WeakPolarHBondContact CA-O 3.39Å; C578-K580 PolarHBondContact O-N 2.93Å; K580-I582 WeakPolarHBondContact O-CG1 3.46Å; K580-I582 PolarHBondContact O-N 3.35Å
581	L	91.1	Very high	90.9	Very high	26 Å²	26	48.7 Å²	48.7	14%	0.136	28%	0.279	C	S	.	.			trans	-67.5	113.9	-177.4	-173.9	68.8	0	0	0	109.7	L557 L560 L575 C578 L584 I607	L557-L581 HydrophobicContact CD2-CD1 4.36Å; L557-L581 HydrophobicContact CG-CD1 4.19Å; L557-L581 WeakPolarHBondContact O-CA 3.19Å; L557-L581 PolarHBondContact O-N 3.38Å; L560-L581 HydrophobicContact CB-CD1 3.82Å; L575-L581 HydrophobicContact CD1-CD2 4.11Å; L575-L581 HydrophobicContact CD2-CD2 4.43Å; L575-L581 HydrophobicContact CG-CD2 4.08Å; C578-L581 HydrophobicContact CB-CB 3.98Å; C578-L581 VanDerWaalsContact O-CB 3.29Å; C578-L581 WeakPolarHBondContact O-CB 3.43Å; C578-L581 PolarHBondContact O-N 3.24Å; L581-L584 HydrophobicContact CD2-CB 4.39Å; L581-I607 HydrophobicContact CD2-CD1 4.3Å
582	I	89	Confident	90.8	Very high	120 Å²	120	57.1 Å²	57.1	62%	0.615	31%	0.31	S	S	*	.			trans	-108.4	-45.5	178.8	-58.8	-162.4	0	0	0	110.2	H558 K580	H558-I582 VanDerWaalsContact NE2-CD1 3.28Å; H558-I582 WeakPolarHBondContact NE2-CD1 3.31Å; H558-I582 PolarHBondContact O-N 3.17Å; K580-I582 WeakPolarHBondContact O-CG1 3.46Å; K580-I582 PolarHBondContact O-N 3.35Å
583	I	91.8	Very high	90.6	Very high	73 Å²	73	59.9 Å²	59.9	37%	0.374	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	114.3	-178.5	-54.1	-176.6	0	0	0	108.5	H558 D559 L560	H558-I583 PolarHBondContact O-N 2.84Å; D559-I583 CarbonylContact C-O 3.53Å; D559-I583 WeakPolarHBondContact CA-O 3.25Å; D559-I583 HydrophobicContact CB-CB 4.26Å; D559-I583 VanDerWaalsContact OD1-CB 3.26Å; D559-I583 WeakPolarHBondContact OD1-CB 3.29Å; D559-I583 WeakPolarHBondContact OD1-CD1 3.16Å; D559-I583 VanDerWaalsContact OD1-CG1 3.25Å; D559-I583 WeakPolarHBondContact OD1-CG1 3.32Å; L560-I583 PolarHBondContact N-O 2.8Å
584	L	93.7	Very high	90.5	Very high	7 Å²	7	60.1 Å²	60.1	4%	0.037	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	104.9	168.7	175.3	60.6	0	0	0	107.6	L560 L575 L581 L586 S603 I607	L560-L584 HydrophobicContact CB-CD1 4.11Å; L560-L584 HydrophobicContact CD2-CD1 3.95Å; L560-L584 HydrophobicContact CG-CD1 4Å; L560-L584 WeakPolarHBondContact O-CA 2.92Å; L575-L584 HydrophobicContact CD2-CD1 4.44Å; L575-L584 HydrophobicContact CD2-CD2 4.17Å; L581-L584 HydrophobicContact CD2-CB 4.39Å; L584-L586 HydrophobicContact CD1-CD1 4.2Å; L584-L586 HydrophobicContact CD1-CD2 4.21Å; L584-L586 HydrophobicContact CD1-CG 4.01Å; L584-L586 HydrophobicContact CD2-CD1 3.69Å; L584-L586 HydrophobicContact CD2-CG 4.38Å; L584-L586 HydrophobicContact CG-CD1 3.72Å; L584-L586 HydrophobicContact CG-CG 3.87Å; L584-S603 WeakPolarHBondContact O-CB 3.21Å; L584-S603 PolarHBondContact O-OG 2.97Å; L584-S603 VanDerWaalsContact O-OG 3.07Å; L584-I607 HydrophobicContact CB-CD1 4.01Å; L584-I607 HydrophobicContact CD2-CD1 3.77Å; L584-I607 HydrophobicContact CD2-CG1 3.59Å
585	N	92.8	Very high	90.2	Very high	44 Å²	44	60.4 Å²	60.4	24%	0.235	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	114.9	177.2	-168.3	0.2	0	0	0	110.2	L560 H561 L562 N563 E587	L560-N585 PolarHBondContact O-N 3.23Å; H561-N585 HydrophobicContact CB-CB 4.29Å; L562-N585 CarbonylContact C-O 3.18Å; L562-N585 WeakPolarHBondContact CA-O 3.4Å; L562-N585 PolarHBondContact N-O 2.87Å; N563-N585 PolarHBondContact N-O 3.31Å; N563-N585 PolarHBondContact OD1-ND2 2.67Å; N585-E587 WeakPolarHBondContact OD1-CB 3.19Å; N585-E587 PolarHBondContact OD1-N 3.11Å; N585-E587 VanDerWaalsContact OD1-N 3.15Å
586	L	93	Very high	89.9	Confident	19 Å²	19	65.5 Å²	65.5	10%	0.099	36%	0.363	C	S	.	.			trans	-124.3	18.1	-178.5	-67.3	165.4	0	0	0	111.8	L562 L568 L571 L584 S588 C589 L591 I606	L562-L586 HydrophobicContact CB-CD2 4.04Å; L562-L586 HydrophobicContact CD1-CD2 4.09Å; L568-L586 HydrophobicContact CD2-CD2 4.32Å; L571-L586 HydrophobicContact CD1-CD1 3.89Å; L571-L586 HydrophobicContact CD1-CD2 4.19Å; L571-L586 HydrophobicContact CD2-CD2 4.37Å; L584-L586 HydrophobicContact CD1-CD1 4.2Å; L584-L586 HydrophobicContact CD1-CD2 4.21Å; L584-L586 HydrophobicContact CD1-CG 4.01Å; L584-L586 HydrophobicContact CD2-CD1 3.69Å; L584-L586 HydrophobicContact CD2-CG 4.38Å; L584-L586 HydrophobicContact CG-CD1 3.72Å; L584-L586 HydrophobicContact CG-CG 3.87Å; L586-S588 PolarHBondContact O-N 3.15Å; L586-C589 WeakPolarHBondContact O-CB 3.39Å; L586-C589 PolarHBondContact O-N 2.91Å; L586-L591 HydrophobicContact CB-CD1 4.39Å; L586-L591 HydrophobicContact CD1-CD1 4.03Å; L586-L591 HydrophobicContact CD2-CD1 4.4Å; L586-I606 HydrophobicContact CD1-CD1 3.67Å; L586-I606 HydrophobicContact CD1-CG2 4.27Å
587	E	91.5	Very high	89.9	Confident	128 Å²	128	67.5 Å²	67.5	60%	0.598	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	137	176.9	-175.1	172.5	-168.3	0	0	110.5	N563 N564 N585 C589	N563-E587 CarbonylContact C-O 3.33Å; N563-E587 WeakPolarHBondContact CA-O 3.4Å; N563-E587 HydrophobicContact CB-CB 4.02Å; N564-E587 PolarHBondContact N-O 3.32Å; N585-E587 WeakPolarHBondContact OD1-CB 3.19Å; N585-E587 PolarHBondContact OD1-N 3.11Å; N585-E587 VanDerWaalsContact OD1-N 3.15Å; E587-C589 PolarHBondContact O-N 3.13Å
588	S	91.9	Very high	89.7	Confident	76 Å²	76	63.4 Å²	63.4	53%	0.531	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	27.6	-179.3	-50.3	0	0	0	0	115.6	N564 L586	N564-S588 WeakPolarHBondContact OD1-CB 3.3Å; N564-S588 PolarHBondContact OD1-OG 3.23Å; N564-S588 VanDerWaalsContact OD1-OG 3.09Å; L586-S588 PolarHBondContact O-N 3.15Å
589	C	93.5	Very high	89.5	Confident	12 Å²	12	64.5 Å²	64.5	8%	0.081	36%	0.36	C	S	.	.			trans	-101.5	130.8	168.4	-61.6	0	0	0	0	110.5	L562 L568 L586 E587 L591	L562-C589 PolarHBondContact O-SG 2.82Å; L568-C589 HydrophobicContact CD2-CB 4.47Å; L586-C589 WeakPolarHBondContact O-CB 3.39Å; L586-C589 PolarHBondContact O-N 2.91Å; E587-C589 PolarHBondContact O-N 3.13Å; C589-L591 HydrophobicContact CB-CD1 4.44Å; C589-L591 HydrophobicContact CB-CG 4.04Å
590	P	91.8	Very high	89.4	Confident	35 Å²	35	67.7 Å²	67.7	23%	0.227	36%	0.355	C	S	.	.			trans	-75.4	-29.3	-173.4	31.6	-38.4	0	0	0	114.2	P566 L568 R592	P566-P590 VanDerWaalsContact O-CG 3.3Å; P566-P590 WeakPolarHBondContact O-CG 3.36Å; L568-P590 WeakPolarHBondContact O-CD 3.35Å; L568-P590 WeakPolarHBondContact O-CG 3.41Å; P590-R592 HydrophobicContact CB-CG 4.08Å; P590-R592 PolarHBondContact O-N 3.13Å
591	L	91.4	Very high	88.9	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.005	35%	0.348	C	S	.	.			trans	44.6	39	173.8	-62.3	177.3	0	0	0	115.3	L568 N569 L571 L586 C589 A593 L594 V599 I606	L568-L591 HydrophobicContact CD2-CD2 4.32Å; L568-L591 HydrophobicContact CG-CD2 4.06Å; L568-L591 PolarHBondContact O-N 3.16Å; N569-L591 CarbonylContact O-C 3.41Å; N569-L591 WeakPolarHBondContact O-CA 3.23Å; L571-L591 HydrophobicContact CD1-CD2 4.22Å; L571-L591 HydrophobicContact CD2-CD2 4.48Å; L571-L591 HydrophobicContact CG-CD2 3.93Å; L586-L591 HydrophobicContact CB-CD1 4.39Å; L586-L591 HydrophobicContact CD1-CD1 4.03Å; L586-L591 HydrophobicContact CD2-CD1 4.4Å; C589-L591 HydrophobicContact CB-CD1 4.44Å; C589-L591 HydrophobicContact CB-CG 4.04Å; L591-A593 PolarHBondContact O-N 2.98Å; L591-L594 HydrophobicContact CB-CD1 4.46Å; L591-L594 PolarHBondContact O-N 2.91Å; L591-V599 HydrophobicContact CB-CG1 4.32Å; L591-V599 HydrophobicContact CB-CG2 3.93Å; L591-V599 HydrophobicContact CD1-CG1 4.44Å; L591-I606 HydrophobicContact CD1-CD1 3.72Å
592	R	89.5	Confident	88.5	Confident	198 Å²	198	64 Å²	64	75%	0.747	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-18.4	-170.1	-59.7	-178.5	-177.3	157	2.5	115.3	N569 P590 L594	N569-R592 PolarHBondContact O-N 2.92Å; N569-R592 VanDerWaalsContact O-N 3.13Å; N569-R592 WeakPolarHBondContact OD1-CD 3.29Å; N569-R592 WeakPolarHBondContact OD1-CG 3.13Å; P590-R592 HydrophobicContact CB-CG 4.08Å; P590-R592 PolarHBondContact O-N 3.13Å; R592-L594 VanDerWaalsContact C-N 3.3Å
593	A	88.4	Confident	88.1	Confident	72 Å²	72	60.3 Å²	60.3	60%	0.595	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-17.5	175.6	0	0	0	0	0	113.1	N569 L591	N569-A593 VanDerWaalsContact O-CB 3.23Å; N569-A593 WeakPolarHBondContact O-CB 3.46Å; N569-A593 PolarHBondContact O-N 2.95Å; L591-A593 PolarHBondContact O-N 2.98Å
594	L	86.2	Confident	87.4	Confident	22 Å²	22	60.4 Å²	60.4	12%	0.115	35%	0.354	C	S	.	.	S	Bend	trans	-94.7	145.2	175.3	-64.8	175.1	0	0	0	110.2	L591 R592 E596 V599 I606	L591-L594 HydrophobicContact CB-CD1 4.46Å; L591-L594 PolarHBondContact O-N 2.91Å; R592-L594 VanDerWaalsContact C-N 3.3Å; L594-E596 PolarHBondContact O-N 3.19Å; L594-V599 HydrophobicContact CB-CG2 3.78Å; L594-I606 HydrophobicContact CD1-CG1 4.24Å; L594-I606 HydrophobicContact CD1-CG2 3.9Å
595	P	85.4	Confident	86.9	Confident	70 Å²	70	64.1 Å²	64.1	46%	0.455	37%	0.373	S	S	.	.			trans	-58.7	132.3	174	-24.1	34.2	0	0	0	111.5	P597 I598 V599	P595-P597 VanDerWaalsContact C-N 3.31Å; P595-P597 VanDerWaalsContact O-N 3.11Å; P595-I598 HydrophobicContact CB-CD1 3.98Å; P595-I598 HydrophobicContact CG-CD1 3.77Å; P595-I598 WeakPolarHBondContact O-CA 3.39Å; P595-I598 WeakPolarHBondContact O-CB 3.45Å; P595-I598 PolarHBondContact O-N 3.23Å; P595-V599 PolarHBondContact O-N 3.06Å
596	E	84.8	Confident	86.4	Confident	111 Å²	111	62.2 Å²	62.2	52%	0.519	36%	0.362	S	S	.	.	H	α-helix	trans	-46.3	-42	-177.9	-175.3	64.6	-163.5	0	0	114.7	L594 I598 V599 Q600	L594-E596 PolarHBondContact O-N 3.19Å; E596-I598 PolarHBondContact O-N 3.19Å; E596-V599 PolarHBondContact O-N 3.22Å; E596-Q600 HydrophobicContact CG-CG 4.39Å; E596-Q600 WeakPolarHBondContact O-CG 3.23Å; E596-Q600 PolarHBondContact O-N 3.14Å; E596-Q600 PolarHBondContact OE1-NE2 3.31Å
597	P	85.9	Confident	85.5	Confident	90 Å²	90	63.9 Å²	63.9	58%	0.584	37%	0.371	S	S	*	.	H	α-helix	trans	-63.2	-27.8	177.5	-22.3	34.6	0	0	0	114.1	P595 G601	P595-P597 VanDerWaalsContact C-N 3.31Å; P595-P597 VanDerWaalsContact O-N 3.11Å; P597-G601 PolarHBondContact O-N 3.08Å; P597-G601 VanDerWaalsContact O-N 3.15Å
598	I	85.5	Confident	84.7	Confident	23 Å²	23	64.6 Å²	64.6	12%	0.118	37%	0.369	C	S	.	.	H	α-helix	trans	-75.1	-42	176.8	-67.1	162	0	0	0	109.7	P595 E596 G601 M605 I606 V609	P595-I598 HydrophobicContact CB-CD1 3.98Å; P595-I598 HydrophobicContact CG-CD1 3.77Å; P595-I598 WeakPolarHBondContact O-CA 3.39Å; P595-I598 WeakPolarHBondContact O-CB 3.45Å; P595-I598 PolarHBondContact O-N 3.23Å; E596-I598 PolarHBondContact O-N 3.19Å; I598-G601 PolarHBondContact O-N 2.98Å; I598-M605 HydrophobicContact CG2-CB 4.5Å; I598-I606 HydrophobicContact CG2-CG1 3.99Å; I598-V609 HydrophobicContact CD1-CB 4.24Å; I598-V609 HydrophobicContact CD1-CG1 3.78Å; I598-V609 HydrophobicContact CD1-CG2 3.83Å; I598-V609 HydrophobicContact CG1-CG2 4.07Å; I598-V609 HydrophobicContact CG2-CB 4.19Å; I598-V609 HydrophobicContact CG2-CG2 4.05Å
599	V	84.9	Confident	84	Confident	29 Å²	29	62.2 Å²	62.2	18%	0.176	35%	0.351	C	S	.	.	H	α-helix	trans	-62.5	-45.8	176.6	-177.7	0	0	0	0	110.6	L591 L594 P595 E596 G601 G602	L591-V599 HydrophobicContact CB-CG1 4.32Å; L591-V599 HydrophobicContact CB-CG2 3.93Å; L591-V599 HydrophobicContact CD1-CG1 4.44Å; L594-V599 HydrophobicContact CB-CG2 3.78Å; P595-V599 PolarHBondContact O-N 3.06Å; E596-V599 PolarHBondContact O-N 3.22Å; V599-G601 PolarHBondContact O-N 3.25Å; V599-G602 PolarHBondContact O-N 3.37Å; V599-G602 VanDerWaalsContact O-N 3.08Å
600	Q	83.9	Confident	83	Confident	143 Å²	143	61.9 Å²	61.9	67%	0.668	35%	0.348	S	S	*	.	H	α-helix	trans	-65.1	-25.1	175.5	-69.4	-179.5	2.9	0	0	113.6	E596 G602	E596-Q600 HydrophobicContact CG-CG 4.39Å; E596-Q600 WeakPolarHBondContact O-CG 3.23Å; E596-Q600 PolarHBondContact O-N 3.14Å; E596-Q600 PolarHBondContact OE1-NE2 3.31Å; Q600-G602 PolarHBondContact O-N 3.21Å
601	G	80.5	Confident	81.7	Confident	38 Å²	38	63 Å²	63	39%	0.392	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-4.6	173.6	0	0	0	0	0	114.2	P597 I598 V599	P597-G601 PolarHBondContact O-N 3.08Å; P597-G601 VanDerWaalsContact O-N 3.15Å; I598-G601 PolarHBondContact O-N 2.98Å; V599-G601 PolarHBondContact O-N 3.25Å
602	G	83.6	Confident	79.9	Confident	32 Å²	32	65.3 Å²	65.3	33%	0.33	37%	0.372	S	S	.	.	H	α-helix	trans	76.5	-176	178.4	0	0	0	0	0	113.4	V599 Q600 A604 M605 I606	V599-G602 PolarHBondContact O-N 3.37Å; V599-G602 VanDerWaalsContact O-N 3.08Å; Q600-G602 PolarHBondContact O-N 3.21Å; G602-A604 VanDerWaalsContact C-N 3.28Å; G602-A604 PolarHBondContact O-N 3.18Å; G602-M605 PolarHBondContact O-N 3.13Å; G602-I606 WeakPolarHBondContact O-CG1 3.37Å; G602-I606 PolarHBondContact O-N 3.49Å
603	S	80.7	Confident	78.1	Confident	44 Å²	44	60.1 Å²	60.1	31%	0.308	36%	0.362	S	S	.	.	H	α-helix	trans	-59.9	-33.4	-172.8	49.6	0	0	0	0	114.2	L584 I606 I607	L584-S603 WeakPolarHBondContact O-CB 3.21Å; L584-S603 PolarHBondContact O-OG 2.97Å; L584-S603 VanDerWaalsContact O-OG 3.07Å; S603-I606 PolarHBondContact O-N 3.36Å; S603-I607 VanDerWaalsContact O-CG1 3.29Å; S603-I607 WeakPolarHBondContact O-CG1 3.16Å; S603-I607 PolarHBondContact O-N 2.96Å
604	A	77.4	Confident	75.9	Confident	75 Å²	75	58.9 Å²	58.9	62%	0.62	35%	0.35	S	S	*	.	H	α-helix	trans	-63.2	-43.1	177.5	0	0	0	0	0	113	G602 Y608	G602-A604 VanDerWaalsContact C-N 3.28Å; G602-A604 PolarHBondContact O-N 3.18Å; A604-Y608 PolarHBondContact O-N 2.9Å
605	M	82.2	Confident	73.5	Confident	85 Å²	85	62.8 Å²	62.8	42%	0.419	39%	0.385	S	S	.	.	H	α-helix	trans	-68.7	-38.7	176.7	-80.5	-71.9	-75	0	0	111.5	I598 G602 Y608 V609	I598-M605 HydrophobicContact CG2-CB 4.5Å; G602-M605 PolarHBondContact O-N 3.13Å; M605-Y608 PolarHBondContact O-N 2.93Å; M605-V609 WeakPolarHBondContact O-CG2 3.24Å; M605-V609 PolarHBondContact O-N 2.9Å; M605-V609 VanDerWaalsContact O-N 3.14Å
606	I	82.5	Confident	71.1	Confident	3 Å²	3	65.1 Å²	65.1	2%	0.015	40%	0.398	C	S	.	.	H	α-helix	trans	-61.4	-51.4	176.6	-67.3	166.3	0	0	0	110.5	L571 L586 L591 L594 I598 G602 S603 Y608 V609 I610	L571-I606 HydrophobicContact CD1-CG2 3.74Å; L586-I606 HydrophobicContact CD1-CD1 3.67Å; L586-I606 HydrophobicContact CD1-CG2 4.27Å; L591-I606 HydrophobicContact CD1-CD1 3.72Å; L594-I606 HydrophobicContact CD1-CG1 4.24Å; L594-I606 HydrophobicContact CD1-CG2 3.9Å; I598-I606 HydrophobicContact CG2-CG1 3.99Å; G602-I606 WeakPolarHBondContact O-CG1 3.37Å; G602-I606 PolarHBondContact O-N 3.49Å; S603-I606 PolarHBondContact O-N 3.36Å; I606-Y608 PolarHBondContact O-N 3.18Å; I606-V609 PolarHBondContact O-N 3.24Å; I606-I610 HydrophobicContact CG2-CD1 3.68Å; I606-I610 HydrophobicContact CG2-CG1 4.12Å; I606-I610 VanDerWaalsContact O-CG1 3.24Å; I606-I610 WeakPolarHBondContact O-CG1 3.38Å; I606-I610 PolarHBondContact O-N 3.31Å
607	I	73.9	Confident	68.6	Low	55 Å²	55	63.7 Å²	63.7	28%	0.282	40%	0.396	S	S	.	.	H	α-helix	trans	-56.7	-39.6	178.6	-69.6	167.5	0	0	0	111.3	L581 L584 S603 V609 P611	L581-I607 HydrophobicContact CD2-CD1 4.3Å; L584-I607 HydrophobicContact CB-CD1 4.01Å; L584-I607 HydrophobicContact CD2-CD1 3.77Å; L584-I607 HydrophobicContact CD2-CG1 3.59Å; S603-I607 VanDerWaalsContact O-CG1 3.29Å; S603-I607 WeakPolarHBondContact O-CG1 3.16Å; S603-I607 PolarHBondContact O-N 2.96Å; I607-V609 PolarHBondContact O-N 3.36Å; I607-P611 WeakPolarHBondContact O-CD 3.48Å
608	Y	75.6	Confident	65.8	Low	143 Å²	143	65.1 Å²	65.1	56%	0.561	40%	0.404	S	S	*	.	H	α-helix	trans	-66.8	-34.2	178.4	-176	-97.4	0	0	0	113.4	A604 M605 I606 H640	A604-Y608 PolarHBondContact O-N 2.9Å; M605-Y608 PolarHBondContact O-N 2.93Å; I606-Y608 PolarHBondContact O-N 3.18Å; Y608-H640 AromaticContact CE2-CE1 3.94Å
609	V	77.3	Confident	63.2	Low	26 Å²	26	68.9 Å²	68.9	16%	0.158	43%	0.428	C	S	.	.	H	α-helix	trans	-87	-31.3	-176.2	175.6	0	0	0	0	113.1	I598 M605 I606 I607 P611 S612 T613	I598-V609 HydrophobicContact CD1-CB 4.24Å; I598-V609 HydrophobicContact CD1-CG1 3.78Å; I598-V609 HydrophobicContact CD1-CG2 3.83Å; I598-V609 HydrophobicContact CG1-CG2 4.07Å; I598-V609 HydrophobicContact CG2-CB 4.19Å; I598-V609 HydrophobicContact CG2-CG2 4.05Å; M605-V609 WeakPolarHBondContact O-CG2 3.24Å; M605-V609 PolarHBondContact O-N 2.9Å; M605-V609 VanDerWaalsContact O-N 3.14Å; I606-V609 PolarHBondContact O-N 3.24Å; I607-V609 PolarHBondContact O-N 3.36Å; V609-P611 VanDerWaalsContact C-CD 3.45Å; V609-S612 WeakPolarHBondContact O-CA 3.24Å; V609-S612 VanDerWaalsContact O-CB 3.24Å; V609-S612 WeakPolarHBondContact O-CB 3.45Å; V609-S612 PolarHBondContact O-N 3.15Å; V609-T613 HydrophobicContact CG1-CG2 4.17Å
610	I	72.3	Confident	60.5	Low	4 Å²	4	70.6 Å²	70.6	2%	0.021	45%	0.445	C	S	.	.	H	α-helix	trans	-43.8	-51.2	179.2	-79.9	172.6	0	0	0	113.1	L571 A573 L575 I606 S612 T613	L571-I610 HydrophobicContact CB-CD1 4.2Å; L571-I610 HydrophobicContact CD1-CD1 4.1Å; A573-I610 WeakPolarHBondContact O-CG2 3.33Å; L575-I610 HydrophobicContact CD2-CD1 4.18Å; I606-I610 HydrophobicContact CG2-CD1 3.68Å; I606-I610 HydrophobicContact CG2-CG1 4.12Å; I606-I610 VanDerWaalsContact O-CG1 3.24Å; I606-I610 WeakPolarHBondContact O-CG1 3.38Å; I606-I610 PolarHBondContact O-N 3.31Å; I610-S612 PolarHBondContact O-N 3.18Å; I610-S612 VanDerWaalsContact O-N 3.13Å; I610-T613 PolarHBondContact O-N 2.85Å; I610-T613 PolarHBondContact O-OG1 2.79Å
611	P	63.2	Low	58	Low	58 Å²	58	66 Å²	66	38%	0.377	43%	0.427	S	S	.	.	H	α-helix	trans	-58	-30.7	178.4	-14.6	18.5	0	0	0	114	I607 V609 T613	I607-P611 WeakPolarHBondContact O-CD 3.48Å; V609-P611 VanDerWaalsContact C-CD 3.45Å; P611-T613 VanDerWaalsContact C-N 3.28Å; P611-T613 PolarHBondContact O-N 2.83Å
612	S	53.5	Low	55.6	Low	50 Å²	50	72.6 Å²	72.6	35%	0.35	45%	0.445	S	S	.	.	H	α-helix	trans	-78.6	-12.5	-174.2	-48.7	0	0	0	0	113.4	V609 I610	V609-S612 WeakPolarHBondContact O-CA 3.24Å; V609-S612 VanDerWaalsContact O-CB 3.24Å; V609-S612 WeakPolarHBondContact O-CB 3.45Å; V609-S612 PolarHBondContact O-N 3.15Å; I610-S612 PolarHBondContact O-N 3.18Å; I610-S612 VanDerWaalsContact O-N 3.13Å
613	T	52.6	Low	53	Low	89 Å²	89	79.2 Å²	79.2	55%	0.546	46%	0.461	S	S	.	.	H	α-helix	trans	-98.2	-13.1	-179.2	61.4	0	0	0	0	113.2	V609 I610 P611	V609-T613 HydrophobicContact CG1-CG2 4.17Å; I610-T613 PolarHBondContact O-N 2.85Å; I610-T613 PolarHBondContact O-OG1 2.79Å; P611-T613 VanDerWaalsContact C-N 3.28Å; P611-T613 PolarHBondContact O-N 2.83Å
614	S	43.1	Very low	50.6	Low	47 Å²	47	83 Å²	83	33%	0.329	48%	0.478	S	S	.	.	S	Bend	trans	-71.6	134.4	171.5	163.5	0	0	0	0	111.4	T616	S614-T616 VanDerWaalsContact C-N 3.26Å; S614-T616 PolarHBondContact O-N 3.41Å
615	A	33.9	Very low	48.5	Very low	103 Å²	103	85.8 Å²	85.8	85%	0.851	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	70.1	-173.4	0	0	0	0	0	113.1
616	T	35.5	Very low	46	Very low	120 Å²	120	88.5 Å²	88.5	74%	0.736	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-146	-5	157.5	34.8	0	0	0	0	114.2	S614 T618	S614-T616 VanDerWaalsContact C-N 3.26Å; S614-T616 PolarHBondContact O-N 3.41Å; T616-T618 PolarHBondContact O-N 2.86Å
617	V	31.8	Very low	43.5	Very low	80 Å²	80	92.7 Å²	92.7	49%	0.485	52%	0.522	S	S	.	.			trans	-94.5	74.9	171.7	-171	0	0	0	0	110.3	T619	V617-T619 PolarHBondContact O-N 3.46Å
618	T	27.4	Very low	41.4	Very low	121 Å²	121	95.6 Å²	95.6	74%	0.742	54%	0.539	S	S	*	.			trans	-61.2	121.1	170.2	-11.8	0	0	0	0	109.7	T616 A620	T616-T618 PolarHBondContact O-N 2.86Å; T618-A620 PolarHBondContact O-N 3.26Å
619	T	30.5	Very low	39.3	Very low	102 Å²	102	97.1 Å²	97.1	63%	0.626	56%	0.556	S	S	*	*	S	Bend	trans	84.3	-24.5	155.9	-34.2	0	0	0	0	119	V617	V617-T619 PolarHBondContact O-N 3.46Å
620	A	29.1	Very low	37.1	Very low	65 Å²	65	99.9 Å²	99.9	54%	0.537	58%	0.577	S	S	.	*	S	Bend	trans	-82.6	-38.8	-175.7	0	0	0	0	0	115.1	T618 K622 Y623	T618-A620 PolarHBondContact O-N 3.26Å; A620-K622 PolarHBondContact O-N 3.41Å; A620-Y623 PolarHBondContact O-N 3.4Å
621	T	32.4	Very low	35.2	Very low	47 Å²	47	106.2 Å²	106.2	29%	0.288	62%	0.616	S	S	.	*	H	α-helix	trans	-75.8	-24.6	-175.9	-20.4	0	0	0	0	113	Y623 L624	T621-Y623 PolarHBondContact O-N 3.41Å; T621-L624 PolarHBondContact O-N 3.41Å
622	K	28.9	Very low	33.7	Very low	175 Å²	175	107.2 Å²	107.2	76%	0.761	62%	0.618	S	S	*	*	H	α-helix	trans	-67.5	-19.2	176.8	-122.8	175.1	-177.2	175.8	0	113.3	A620	A620-K622 PolarHBondContact O-N 3.41Å
623	Y	30.2	Very low	33.2	Very low	171 Å²	171	114.4 Å²	114.4	67%	0.671	64%	0.639	S	S	*	*	H	α-helix	trans	-92.9	-19.8	178.3	-93.5	-85	0	0	0	114.3	A620 T621 T627	A620-Y623 PolarHBondContact O-N 3.4Å; T621-Y623 PolarHBondContact O-N 3.41Å; Y623-T627 WeakPolarHBondContact O-CG2 3.5Å; Y623-T627 PolarHBondContact O-OG1 3.16Å
624	L	29.8	Very low	32.5	Very low	125 Å²	125	115.2 Å²	115.2	65%	0.654	64%	0.644	S	S	*	*	H	α-helix	trans	-84.6	-23.1	178.6	-91.1	150	0	0	0	113.3	T621	T621-L624 PolarHBondContact O-N 3.41Å
625	I	32.9	Very low	32	Very low	132 Å²	132	119.8 Å²	119.8	68%	0.677	66%	0.658	S	S	*	*	S	Bend	trans	-86.7	-22.3	178.7	-61	173.4	0	0	0	111.8
626	N	30.8	Very low	32.1	Very low	143 Å²	143	120.2 Å²	120.2	77%	0.765	65%	0.645	S	S	*	*	S	Bend	trans	-97.1	5.5	-175	-102.1	-15.3	0	0	0	115.3
627	T	29.6	Very low	32	Very low	90 Å²	90	123.2 Å²	123.2	55%	0.552	65%	0.649	S	S	*	*			trans	-116.7	5.2	-172.8	46.5	0	0	0	0	116.1	Y623	Y623-T627 WeakPolarHBondContact O-CG2 3.5Å; Y623-T627 PolarHBondContact O-OG1 3.16Å
628	N	29.9	Very low	32	Very low	117 Å²	117	124.1 Å²	124.1	63%	0.626	66%	0.657	S	S	*	*			trans	-107.7	69.3	-177	-75.4	-25.5	0	0	0	114.2	S630	N628-S630 PolarHBondContact O-N 2.84Å
629	N	29.8	Very low	32.4	Very low	174 Å²	174	123.8 Å²	123.8	93%	0.93	65%	0.65	S	S	*	*			trans	-81.8	69.4	144.3	-92	-17.8	0	0	0	108.3
630	S	31.8	Very low	32.5	Very low	85 Å²	85	124 Å²	124	59%	0.594	64%	0.644	S	S	*	*	S	Bend	trans	-169.9	135.8	153.4	66.2	0	0	0	0	111	N628 D632	N628-S630 PolarHBondContact O-N 2.84Å; S630-D632 PolarHBondContact O-N 3.32Å; S630-D632 VanDerWaalsContact O-N 3.08Å
631	T	32.4	Very low	32.7	Very low	136 Å²	136	124.8 Å²	124.8	83%	0.834	65%	0.65	S	S	*	*			trans	-60	91.7	171.7	44	0	0	0	0	111.7
632	D	32.7	Very low	32.7	Very low	80 Å²	80	130.8 Å²	130.8	43%	0.428	67%	0.672	S	S	.	*			trans	-160.2	72.9	162.1	-145.8	-7.5	0	0	0	112.7	S630 T634	S630-D632 PolarHBondContact O-N 3.32Å; S630-D632 VanDerWaalsContact O-N 3.08Å; D632-T634 PolarHBondContact O-N 3.08Å; D632-T634 VanDerWaalsContact O-N 3.16Å; D632-T634 PolarHBondContact OD1-OG1 3.37Å
633	Y	42.5	Very low	32.9	Very low	201 Å²	201	128.1 Å²	128.1	79%	0.788	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-69.2	-5	178.7	-75	-85.6	0	0	0	113.9	K635	Y633-K635 VanDerWaalsContact C-N 3.31Å; Y633-K635 PolarHBondContact O-N 3.29Å
634	T	36.7	Very low	33.2	Very low	105 Å²	105	126.4 Å²	126.4	64%	0.644	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-75.1	-15.6	-178.3	-10.6	0	0	0	0	113.8	D632	D632-T634 PolarHBondContact O-N 3.08Å; D632-T634 VanDerWaalsContact O-N 3.16Å; D632-T634 PolarHBondContact OD1-OG1 3.37Å
635	K	33.6	Very low	33.5	Very low	143 Å²	143	128.6 Å²	128.6	62%	0.622	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-89.4	-15.6	-176.4	-84	175.5	179.2	161.7	0	115.6	Y633 F637 C638	Y633-K635 VanDerWaalsContact C-N 3.31Å; Y633-K635 PolarHBondContact O-N 3.29Å; K635-F637 VanDerWaalsContact C-N 3.3Å; K635-F637 PolarHBondContact O-N 3.44Å; K635-C638 PolarHBondContact O-N 3.47Å
636	L	35.7	Very low	33.6	Very low	113 Å²	113	128.5 Å²	128.5	59%	0.592	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	-27.5	176.4	-103.9	104.9	0	0	0	112.7
637	F	33.6	Very low	33.6	Very low	183 Å²	183	130.8 Å²	130.8	80%	0.803	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-73	-25.1	177	-106.7	-92.8	0	0	0	113.6	K635	K635-F637 VanDerWaalsContact C-N 3.3Å; K635-F637 PolarHBondContact O-N 3.44Å
638	C	32.2	Very low	33.9	Very low	99 Å²	99	136.4 Å²	136.4	67%	0.669	72%	0.715	S	S	*	*	G	3₁₀ helix	trans	-80.7	-16.7	-176.5	-68.5	0	0	0	0	114.1	K635 H640	K635-C638 PolarHBondContact O-N 3.47Å; C638-H640 VanDerWaalsContact C-N 3.3Å
639	I	34.7	Very low	34.1	Very low	113 Å²	113	137.4 Å²	137.4	58%	0.579	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-80.2	-16.9	178	-61.9	176.1	0	0	0	111	A641 F642	I639-A641 PolarHBondContact O-N 3.25Å; I639-F642 PolarHBondContact O-N 3.39Å
640	H	34	Very low	34.3	Very low	108 Å²	108	135.5 Å²	135.5	50%	0.5	71%	0.708	S	S	.	*	G	3₁₀ helix	trans	-77.3	-14	-175.6	-124.7	71	0	0	0	115	Y608 C638	Y608-H640 AromaticContact CE2-CE1 3.94Å; C638-H640 VanDerWaalsContact C-N 3.3Å
641	A	32.8	Very low	34.5	Very low	81 Å²	81	138.3 Å²	138.3	67%	0.669	72%	0.715	S	S	*	*	G	3₁₀ helix	trans	-82.2	-16.7	174.2	0	0	0	0	0	113.4	I639	I639-A641 PolarHBondContact O-N 3.25Å
642	F	31.4	Very low	34.6	Very low	173 Å²	173	138.4 Å²	138.4	76%	0.759	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	-20.9	-169.9	-141.5	-97.6	0	0	0	114	I639	I639-F642 PolarHBondContact O-N 3.39Å
643	N	34.3	Very low	34.7	Very low	118 Å²	118	142.1 Å²	142.1	63%	0.631	73%	0.725	S	S	*	*	S	Bend	trans	-96.5	-12.1	-179.8	-81.5	-32.9	0	0	0	114.6	H645	N643-H645 PolarHBondContact O-N 3.01Å
644	L	36.1	Very low	34.2	Very low	136 Å²	136	138.1 Å²	138.1	71%	0.712	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	4.5	175.2	-105.9	127.9	0	0	0	114
645	H	35.1	Very low	34	Very low	171 Å²	171	140.5 Å²	140.5	79%	0.792	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.8	9.2	179.1	-105.6	63.1	0	0	0	114.4	N643	N643-H645 PolarHBondContact O-N 3.01Å
646	L	35	Very low	34	Very low	129 Å²	129	140.3 Å²	140.3	68%	0.675	73%	0.734	S	S	*	*	S	Bend	trans	-114.4	9.5	-174.6	-84.3	164.6	0	0	0	115.8
647	H	32.5	Very low	33.9	Very low	191 Å²	191	142.6 Å²	142.6	88%	0.884	75%	0.746	S	S	*	*			trans	-136.8	82.5	168.9	-83.8	-61.4	0	0	0	110.9
648	T	35.2	Very low	33.9	Very low	209 Å²	209	138.9 Å²	138.9	100%	1.282	74%	0.741	S	S	*	*			trans	-90.2	0	150.6	45.5	0	0	0	0	110.2

Retrieved 648 of 648 residues in 1071.8 ms (Link to these results)

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