A0A5K4FDH6_SCHMA Loading...

Subtilisin-like protease

AlphaFold DB , UniProt , Accession A0A5K4FDH6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 926 aa.

						>A0A5K4FDH6_SCHMA|A0A5K4FDH6
MEYIFLTYPPNLTRSLQIYKICSLVCIILVTVRLCCCTTNNQTIPKQNASTSPELSDLPHNKRKALYTPYWAVEIKGGEKAARAIAEKYGFLYLGEILPGIYHFKHNRISKRSLRQNNYYHDQLANDEQVVWLEQQVAKVRVKRDVHIPVSDPKWPQMWYLNRGGPGGLDMNVRSVWARGYAGQSVVVTILDDGLETDHPDLKDNYDPFASYDVNSNDDNPEPRYLTRDKSNTNRHGTRCAGEVAAAANNSVCGLGIAYRARIGGVRMLDGDVTDAMESRSLSHQLQHIDVYSASWGPEDDGKTVDGPGKLAQMAFRNGIQMGRRGLGSIFVWASGNGGTSHDNCNCDGYTNSIYTLGVGSVSEHGSVPWYAELCSSTLAVTYSSGGRGERGVITTDLNHTCTDNHSGTSASAPLAAGICALTLSANPNLTWRDLQYLVVYTARPDGLYADDWHVNGVGRRVSHAFGYGLMDAAAMVDLALNWTNVPPQRVCEAQAPMTGSPITIRQMSKENLALTTDGCESAAALAGDLSHRVVHLEHVQAKVTLSSAQRGEIELWLTSPAGTISQLLSKRPKDIDVAGFHAWPFMSVHYWGELANGTWKLTVKSGNAVVSIHDWSLILYGTNTPPPSVPSSSHRRGVRQLPRNQESNPSVKSQKTWIDPQKDKFQSPKTSQQPQQKSIETSKHYSLDSVLNPIHEENGDHGSFGSSENQNSYPYPPFYYLNNQNSYRYWPTWNNEYQSLSPVQAPLPPPPPPPPIPTVSVLSLPPPSAQLSSSSSSSSVSSHSLSSPSSSSSSSSHEFYPNYFPQSSIPFSSTGHSSSNHGLDESNPSIEFDLPSLVVQSNDFTHIEASNTLDRNGYSEHELSLSQNHGQLLVNHEESIQRNNHKIENNNNYISINRKNNSVYSIDVNSVYLLFCPILFILFVY
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.6	Very low	35.5	Very low	217 Å²	217	160.7 Å²	160.7	100%	1.069	80%	0.8	S	S	*	*				0	60.7	0	-46.5	-52.3	-164.4	0	0	111.8
2	E	27.2	Very low	35.3	Very low	166 Å²	166	159.8 Å²	159.8	78%	0.776	80%	0.798	S	S	*	*			cis	90.3	117.2	26.9	-79.7	167.2	122.6	0	0	118
3	Y	28.4	Very low	35	Very low	197 Å²	197	158.5 Å²	158.5	77%	0.773	80%	0.804	S	S	*	*			trans	86.5	143.7	147.4	-88.5	-82.3	0	0	0	122.7
4	I	42.5	Very low	35.1	Very low	151 Å²	151	164.2 Å²	164.2	77%	0.774	81%	0.811	S	S	*	*			trans	75.6	103.3	169.2	-59.6	158	0	0	0	113.1
5	F	34.4	Very low	35.5	Very low	174 Å²	174	158 Å²	158	76%	0.763	79%	0.79	S	S	*	*			cis	60.5	125	30.9	-80.7	-63.9	0	0	0	113.3
6	L	35.9	Very low	35.7	Very low	151 Å²	151	156.9 Å²	156.9	79%	0.791	79%	0.787	S	S	*	*			cis	-141	-177	7.2	-64.2	111.2	0	0	0	108.6
7	T	38.6	Very low	35.8	Very low	129 Å²	129	157.1 Å²	157.1	79%	0.791	79%	0.785	S	S	*	*			cis	-147	174.6	23.9	46.4	0	0	0	0	112.7
8	Y	35.9	Very low	36.4	Very low	219 Å²	219	154.6 Å²	154.6	86%	0.859	77%	0.773	S	S	*	*			trans	-129.7	161.2	175.6	-102.1	-87.2	0	0	0	109.6
9	P	38.5	Very low	36.7	Very low	117 Å²	117	156.3 Å²	156.3	76%	0.76	77%	0.771	S	S	*	*				-142.4	-161.4	98.1	47.1	-31.4	0	0	0	111.8
10	P	38.7	Very low	37.1	Very low	104 Å²	104	156.4 Å²	156.4	68%	0.675	77%	0.766	S	S	*	*				-128.6	-168.5	-115.5	30.7	-5.2	0	0	0	116.2
11	N	34.2	Very low	37.8	Very low	143 Å²	143	153.9 Å²	153.9	77%	0.765	76%	0.756	S	S	*	*			trans	92.2	77.9	167.2	-55.8	-24.4	0	0	0	119.3
12	L	32.4	Very low	38.3	Very low	150 Å²	150	147 Å²	147	79%	0.785	73%	0.728	S	S	*	*			trans	-153	36.7	150.1	-148.1	75.8	0	0	0	115.7	R14	L12-R14 VanDerWaalsContact C-N 3.34Å; L12-R14 PolarHBondContact O-N 2.84Å
13	T	31.8	Very low	39.3	Very low	143 Å²	143	142 Å²	142	88%	0.877	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	58.6	-174.3	38.3	0	0	0	0	114.8
14	R	36.2	Very low	40.3	Very low	238 Å²	238	137.7 Å²	137.7	90%	0.898	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-144.9	-10.1	167.1	-115	175.6	-170.3	-168.2	1.7	118.2	L12	L12-R14 VanDerWaalsContact C-N 3.34Å; L12-R14 PolarHBondContact O-N 2.84Å
15	S	41	Very low	40.8	Very low	71 Å²	71	134.1 Å²	134.1	50%	0.497	69%	0.686	S	S	.	*	S	Bend	trans	-88.5	-33.9	-174.4	-170.7	0	0	0	0	115.1	Q17	S15-Q17 PolarHBondContact O-N 3.19Å
16	L	38.2	Very low	41.5	Very low	141 Å²	141	129.6 Å²	129.6	74%	0.738	68%	0.675	S	S	*	*	H	α-helix	trans	-79.7	-10.2	-163.5	-95.3	73	0	0	0	117.6
17	Q	38.6	Very low	42.2	Very low	160 Å²	160	127.4 Å²	127.4	75%	0.748	66%	0.663	S	S	*	*	H	α-helix	trans	-84.7	-34.7	176.5	-80.4	-157.4	-28.7	0	0	113.5	S15 Y19 K20 I21	S15-Q17 PolarHBondContact O-N 3.19Å; Q17-Y19 VanDerWaalsContact C-N 3.35Å; Q17-Y19 PolarHBondContact O-N 3.18Å; Q17-K20 PolarHBondContact O-N 3.18Å; Q17-I21 WeakPolarHBondContact O-CG1 3.19Å; Q17-I21 PolarHBondContact O-N 2.77Å; Q17-I21 VanDerWaalsContact O-N 3.17Å
18	I	45.8	Very low	42.8	Very low	112 Å²	112	125.8 Å²	125.8	57%	0.574	65%	0.649	S	S	*	*	H	α-helix	trans	-62	-44.6	-177.7	-62.8	172.9	0	0	0	110.2	K20 I21 C22	I18-K20 VanDerWaalsContact C-N 3.29Å; I18-K20 PolarHBondContact O-N 2.99Å; I18-I21 PolarHBondContact O-N 2.62Å; I18-I21 VanDerWaalsContact O-N 3.14Å; I18-C22 PolarHBondContact O-N 3.3Å; I18-C22 PolarHBondContact O-SG 2.84Å; I18-C22 VanDerWaalsContact O-SG 3.41Å
19	Y	43.4	Very low	43.3	Very low	186 Å²	186	121 Å²	121	73%	0.729	64%	0.637	S	S	*	*	H	α-helix	trans	-58.5	-35.7	177.7	-110.3	-87	0	0	0	114	Q17 S23	Q17-Y19 VanDerWaalsContact C-N 3.35Å; Q17-Y19 PolarHBondContact O-N 3.18Å; Y19-S23 WeakPolarHBondContact O-CB 3.29Å; Y19-S23 PolarHBondContact O-N 2.87Å; Y19-S23 VanDerWaalsContact O-N 3.15Å; Y19-S23 PolarHBondContact O-OG 2.68Å
20	K	44.1	Very low	43.8	Very low	158 Å²	158	119.9 Å²	119.9	69%	0.687	63%	0.628	S	S	*	*	H	α-helix	trans	-74.2	-36.4	176.5	-73.7	-171.7	174.2	-176.7	0	112.6	Q17 I18 L24	Q17-K20 PolarHBondContact O-N 3.18Å; I18-K20 VanDerWaalsContact C-N 3.29Å; I18-K20 PolarHBondContact O-N 2.99Å; K20-L24 WeakPolarHBondContact O-CD1 3.29Å; K20-L24 PolarHBondContact O-N 3.14Å; K20-L24 VanDerWaalsContact O-N 3.15Å
21	I	51.8	Low	44.1	Very low	105 Å²	105	118.7 Å²	118.7	54%	0.538	62%	0.619	S	S	.	*	H	α-helix	trans	-68.9	-47.8	177.4	-64.6	169.2	0	0	0	110.3	Q17 I18 S23 L24 V25	Q17-I21 WeakPolarHBondContact O-CG1 3.19Å; Q17-I21 PolarHBondContact O-N 2.77Å; Q17-I21 VanDerWaalsContact O-N 3.17Å; I18-I21 PolarHBondContact O-N 2.62Å; I18-I21 VanDerWaalsContact O-N 3.14Å; I21-S23 VanDerWaalsContact C-N 3.3Å; I21-S23 PolarHBondContact O-N 2.83Å; I21-L24 PolarHBondContact O-N 3.4Å; I21-V25 WeakPolarHBondContact O-CG2 3.31Å; I21-V25 PolarHBondContact O-N 3.08Å
22	C	47.1	Very low	44.5	Very low	71 Å²	71	117.1 Å²	117.1	48%	0.48	61%	0.614	S	S	.	*	H	α-helix	trans	-60.2	-39.1	176.3	-65.1	0	0	0	0	112.3	I18 V25 C26	I18-C22 PolarHBondContact O-N 3.3Å; I18-C22 PolarHBondContact O-SG 2.84Å; I18-C22 VanDerWaalsContact O-SG 3.41Å; C22-V25 PolarHBondContact O-N 2.8Å; C22-C26 PolarHBondContact O-N 2.88Å; C22-C26 PolarHBondContact O-SG 3.11Å
23	S	49	Very low	44.7	Very low	61 Å²	61	121.1 Å²	121.1	43%	0.427	62%	0.619	S	S	.	*	H	α-helix	trans	-62.8	-43.6	176.1	-60.8	0	0	0	0	112.4	Y19 I21 C26 I27	Y19-S23 WeakPolarHBondContact O-CB 3.29Å; Y19-S23 PolarHBondContact O-N 2.87Å; Y19-S23 VanDerWaalsContact O-N 3.15Å; Y19-S23 PolarHBondContact O-OG 2.68Å; I21-S23 VanDerWaalsContact C-N 3.3Å; I21-S23 PolarHBondContact O-N 2.83Å; S23-C26 PolarHBondContact O-N 2.6Å; S23-I27 WeakPolarHBondContact O-CD1 3.49Å; S23-I27 VanDerWaalsContact O-CG1 3.29Å; S23-I27 WeakPolarHBondContact O-CG1 3.33Å; S23-I27 PolarHBondContact O-N 3.47Å; S23-I27 VanDerWaalsContact O-N 3.09Å
24	L	49	Very low	45	Very low	108 Å²	108	121.2 Å²	121.2	57%	0.565	61%	0.613	S	S	*	*	H	α-helix	trans	-65.1	-41.8	175.9	-98.8	80.1	0	0	0	112.3	K20 I21 C26 I27 I28	K20-L24 WeakPolarHBondContact O-CD1 3.29Å; K20-L24 PolarHBondContact O-N 3.14Å; K20-L24 VanDerWaalsContact O-N 3.15Å; I21-L24 PolarHBondContact O-N 3.4Å; L24-C26 VanDerWaalsContact C-N 3.35Å; L24-C26 PolarHBondContact O-N 3.19Å; L24-I27 PolarHBondContact O-N 2.75Å; L24-I28 WeakPolarHBondContact O-CB 3.47Å; L24-I28 VanDerWaalsContact O-CG1 3.28Å; L24-I28 WeakPolarHBondContact O-CG1 3.34Å; L24-I28 PolarHBondContact O-N 2.85Å
25	V	52.5	Low	44.8	Very low	75 Å²	75	115.1 Å²	115.1	46%	0.455	61%	0.606	S	S	.	*	H	α-helix	trans	-62.5	-41.8	178.6	172.9	0	0	0	0	111.2	I21 C22 I28 L29	I21-V25 WeakPolarHBondContact O-CG2 3.31Å; I21-V25 PolarHBondContact O-N 3.08Å; C22-V25 PolarHBondContact O-N 2.8Å; V25-I28 PolarHBondContact O-N 3.26Å; V25-L29 HydrophobicContact CG1-CD1 3.87Å; V25-L29 HydrophobicContact CG1-CG 4.46Å; V25-L29 WeakPolarHBondContact O-CB 3.28Å; V25-L29 WeakPolarHBondContact O-CG 3.33Å; V25-L29 PolarHBondContact O-N 3.14Å
26	C	48.1	Very low	44.4	Very low	79 Å²	79	117.6 Å²	117.6	53%	0.534	62%	0.622	S	S	.	*	H	α-helix	trans	-62.7	-42.5	173.6	-71.4	0	0	0	0	112.6	C22 S23 L24 I28 L29 V30	C22-C26 PolarHBondContact O-N 2.88Å; C22-C26 PolarHBondContact O-SG 3.11Å; S23-C26 PolarHBondContact O-N 2.6Å; L24-C26 VanDerWaalsContact C-N 3.35Å; L24-C26 PolarHBondContact O-N 3.19Å; C26-I28 PolarHBondContact O-N 2.83Å; C26-L29 PolarHBondContact O-N 3.41Å; C26-V30 WeakPolarHBondContact O-CB 3.45Å; C26-V30 VanDerWaalsContact O-CG2 3.31Å; C26-V30 WeakPolarHBondContact O-CG2 3.49Å; C26-V30 PolarHBondContact O-N 2.69Å
27	I	51.7	Low	44.1	Very low	106 Å²	106	117 Å²	117	54%	0.544	63%	0.628	S	S	.	*	H	α-helix	trans	-64.7	-40	178	-69.7	165.2	0	0	0	111.3	S23 L24 T31	S23-I27 WeakPolarHBondContact O-CD1 3.49Å; S23-I27 VanDerWaalsContact O-CG1 3.29Å; S23-I27 WeakPolarHBondContact O-CG1 3.33Å; S23-I27 PolarHBondContact O-N 3.47Å; S23-I27 VanDerWaalsContact O-N 3.09Å; L24-I27 PolarHBondContact O-N 2.75Å; I27-T31 WeakPolarHBondContact O-CB 3.47Å; I27-T31 WeakPolarHBondContact O-CG2 3.21Å; I27-T31 PolarHBondContact O-N 3.05Å; I27-T31 PolarHBondContact O-OG1 3.06Å
28	I	50.6	Low	43.9	Very low	95 Å²	95	116.3 Å²	116.3	49%	0.487	64%	0.635	S	S	.	*	H	α-helix	trans	-66.5	-44.2	176.9	-68.8	165	0	0	0	111	L24 V25 C26 V30 T31 V32	L24-I28 WeakPolarHBondContact O-CB 3.47Å; L24-I28 VanDerWaalsContact O-CG1 3.28Å; L24-I28 WeakPolarHBondContact O-CG1 3.34Å; L24-I28 PolarHBondContact O-N 2.85Å; V25-I28 PolarHBondContact O-N 3.26Å; C26-I28 PolarHBondContact O-N 2.83Å; I28-V30 PolarHBondContact O-N 3.33Å; I28-T31 WeakPolarHBondContact CA-OG1 3.3Å; I28-T31 PolarHBondContact O-N 2.66Å; I28-T31 PolarHBondContact O-OG1 3.2Å; I28-T31 VanDerWaalsContact O-OG1 3.1Å; I28-V32 HydrophobicContact CG2-CG2 4.46Å; I28-V32 VanDerWaalsContact O-CG2 3.29Å; I28-V32 WeakPolarHBondContact O-CG2 3.33Å; I28-V32 PolarHBondContact O-N 3.18Å; I28-V32 VanDerWaalsContact O-N 3.07Å
29	L	46.2	Very low	43.4	Very low	117 Å²	117	117.7 Å²	117.7	61%	0.613	65%	0.649	S	S	*	*	H	α-helix	trans	-68.8	-31.5	179.1	-70.3	171.4	0	0	0	113.5	V25 C26	V25-L29 HydrophobicContact CG1-CD1 3.87Å; V25-L29 HydrophobicContact CG1-CG 4.46Å; V25-L29 WeakPolarHBondContact O-CB 3.28Å; V25-L29 WeakPolarHBondContact O-CG 3.33Å; V25-L29 PolarHBondContact O-N 3.14Å; C26-L29 PolarHBondContact O-N 3.41Å
30	V	49	Very low	43.1	Very low	95 Å²	95	116.6 Å²	116.6	58%	0.576	66%	0.655	S	S	*	*	H	α-helix	trans	-74.2	-38.6	174.2	170.3	0	0	0	0	111.7	C26 I28 L34	C26-V30 WeakPolarHBondContact O-CB 3.45Å; C26-V30 VanDerWaalsContact O-CG2 3.31Å; C26-V30 WeakPolarHBondContact O-CG2 3.49Å; C26-V30 PolarHBondContact O-N 2.69Å; I28-V30 PolarHBondContact O-N 3.33Å; V30-L34 HydrophobicContact CG1-CD1 4.4Å
31	T	44.5	Very low	42.5	Very low	78 Å²	78	116.8 Å²	116.8	48%	0.479	66%	0.664	S	S	.	*	H	α-helix	trans	-73	-35.3	-179.4	45.3	0	0	0	0	113.4	I27 I28 R33 L34	I27-T31 WeakPolarHBondContact O-CB 3.47Å; I27-T31 WeakPolarHBondContact O-CG2 3.21Å; I27-T31 PolarHBondContact O-N 3.05Å; I27-T31 PolarHBondContact O-OG1 3.06Å; I28-T31 WeakPolarHBondContact CA-OG1 3.3Å; I28-T31 PolarHBondContact O-N 2.66Å; I28-T31 PolarHBondContact O-OG1 3.2Å; I28-T31 VanDerWaalsContact O-OG1 3.1Å; T31-R33 VanDerWaalsContact C-N 3.25Å; T31-R33 PolarHBondContact O-N 3.13Å; T31-L34 PolarHBondContact O-N 3.37Å
32	V	43.1	Very low	41.8	Very low	110 Å²	110	120 Å²	120	67%	0.667	68%	0.677	S	S	*	*	H	α-helix	trans	-66	-24	178.5	170	0	0	0	0	113	I28	I28-V32 HydrophobicContact CG2-CG2 4.46Å; I28-V32 VanDerWaalsContact O-CG2 3.29Å; I28-V32 WeakPolarHBondContact O-CG2 3.33Å; I28-V32 PolarHBondContact O-N 3.18Å; I28-V32 VanDerWaalsContact O-N 3.07Å
33	R	38.1	Very low	41.2	Very low	234 Å²	234	123.3 Å²	123.3	88%	0.883	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	0.3	175.6	-94.3	-174.7	172.5	-177.8	-1.5	115.5	T31	T31-R33 VanDerWaalsContact C-N 3.25Å; T31-R33 PolarHBondContact O-N 3.13Å
34	L	37	Very low	40.6	Very low	145 Å²	145	127.7 Å²	127.7	76%	0.759	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116	-1.9	-176.2	-87.8	160.1	0	0	0	114.8	V30 T31	V30-L34 HydrophobicContact CG1-CD1 4.4Å; T31-L34 PolarHBondContact O-N 3.37Å
35	C	32.1	Very low	39.8	Very low	111 Å²	111	128.1 Å²	128.1	75%	0.75	72%	0.721	S	S	*	*			trans	-104.6	46.4	-170.9	-151.4	0	0	0	0	114.6
36	C	32.7	Very low	38.6	Very low	123 Å²	123	134.1 Å²	134.1	83%	0.831	74%	0.741	S	S	*	*	S	Bend	trans	-138.5	38.4	179.5	-81.1	0	0	0	0	114.2
37	C	31.4	Very low	37.9	Very low	128 Å²	128	139.4 Å²	139.4	87%	0.865	76%	0.758	S	S	*	*			trans	-166.1	72.8	168.3	-118.8	0	0	0	0	115
38	T	34.2	Very low	37	Very low	145 Å²	145	141.5 Å²	141.5	89%	0.89	77%	0.77	S	S	*	*			trans	-142.3	116	163.6	31.7	0	0	0	0	110.7
39	T	35.4	Very low	36.1	Very low	141 Å²	141	141.2 Å²	141.2	87%	0.865	78%	0.782	S	S	*	*			trans	-92.1	154.3	-176	44.9	0	0	0	0	113.2
40	N	37.4	Very low	35.4	Very low	163 Å²	163	140.7 Å²	140.7	87%	0.872	79%	0.788	S	S	*	*			trans	-51	139.7	174.4	-92.4	-26.3	0	0	0	113
41	N	32.4	Very low	34.7	Very low	162 Å²	162	142.5 Å²	142.5	87%	0.866	80%	0.8	S	S	*	*			trans	-109.3	105	172.7	-140	1	0	0	0	108.1
42	Q	36.8	Very low	34.2	Very low	174 Å²	174	143.8 Å²	143.8	81%	0.813	81%	0.812	S	S	*	*			trans	-129.8	129.5	169.6	-83.5	-166.5	-16.3	0	0	110.2
43	T	33.3	Very low	34.1	Very low	139 Å²	139	143.4 Å²	143.4	85%	0.853	81%	0.812	S	S	*	*			trans	-88.9	123.8	-177.5	47.8	0	0	0	0	111.5
44	I	36.4	Very low	34	Very low	153 Å²	153	140.5 Å²	140.5	79%	0.785	81%	0.808	S	S	*	*			trans	-131.7	133.8	168.7	-58.6	-178.4	0	0	0	108.7
45	P	32.2	Very low	34.1	Very low	117 Å²	117	141.6 Å²	141.6	76%	0.76	81%	0.814	S	S	*	*			trans	-86.3	162.1	-176.5	34.4	-36	0	0	0	114.5
46	K	28.6	Very low	34.3	Very low	201 Å²	201	140.5 Å²	140.5	87%	0.874	81%	0.807	S	S	*	*			trans	-22.4	124.3	171	-54.4	168.7	-178.5	175.3	0	116.7
47	Q	33.7	Very low	34.4	Very low	190 Å²	190	141.2 Å²	141.2	89%	0.888	80%	0.803	S	S	*	*				-168.5	169	122.2	-107	172.7	18.3	0	0	114.7
48	N	32	Very low	34.6	Very low	150 Å²	150	142.6 Å²	142.6	80%	0.802	80%	0.801	S	S	*	*			trans	-67.9	155.4	-157	-59.7	-25.3	0	0	0	119.8
49	A	32	Very low	34.7	Very low	89 Å²	89	141.6 Å²	141.6	74%	0.736	80%	0.797	S	S	*	*			trans	78.5	139.1	137.1	0	0	0	0	0	122.5
50	S	31.1	Very low	35	Very low	106 Å²	106	143.8 Å²	143.8	74%	0.741	80%	0.797	S	S	*	*			trans	27.4	132.5	151.4	53.6	0	0	0	0	120.2
51	T	34.6	Very low	35.2	Very low	134 Å²	134	142.6 Å²	142.6	82%	0.822	79%	0.79	S	S	*	*			cis	-157.7	162	36.1	-25.7	0	0	0	0	112.3
52	S	33.6	Very low	36.4	Very low	104 Å²	104	144.2 Å²	144.2	73%	0.727	79%	0.79	S	S	*	*			trans	-91.3	174.8	170.7	54.7	0	0	0	0	111.9
53	P	41.7	Very low	37.7	Very low	102 Å²	102	145 Å²	145	66%	0.662	79%	0.785	S	S	*	*			cis	-119.6	-148.2	1.9	32.9	-9.2	0	0	0	110.5
54	E	36.5	Very low	39.7	Very low	174 Å²	174	146.3 Å²	146.3	81%	0.813	78%	0.779	S	S	*	*			cis	-159.6	133	5	-160.3	126.2	-89.8	0	0	112.6
55	L	37.1	Very low	41.9	Very low	168 Å²	168	141 Å²	141	88%	0.88	76%	0.758	S	S	*	*			trans	-168.6	148.4	146.7	-154.2	66.2	0	0	0	109.7
56	S	36.4	Very low	44.6	Very low	87 Å²	87	138.1 Å²	138.1	61%	0.608	74%	0.736	S	S	*	*			trans	-83.4	168.5	173.4	65	0	0	0	0	110.9
57	D	36.6	Very low	47.6	Very low	139 Å²	139	130.8 Å²	130.8	74%	0.743	70%	0.703	S	S	*	*			cis	-154	179.5	31.6	-116.2	-59.8	0	0	0	114.5
58	L	35.2	Very low	50.4	Low	156 Å²	156	122.5 Å²	122.5	82%	0.817	67%	0.665	S	S	*	*			trans	68.7	101.9	172.9	-61.5	177.6	0	0	0	118.3	H60	L58-H60 PolarHBondContact O-N 2.82Å
59	P	35.7	Very low	53.4	Low	125 Å²	125	115.5 Å²	115.5	81%	0.812	63%	0.628	S	S	*	*			trans	-83.8	105.8	178.2	32.6	-33.7	0	0	0	113.4	N61	P59-N61 PolarHBondContact O-N 3.15Å
60	H	40.9	Very low	56.4	Low	187 Å²	187	114.6 Å²	114.6	87%	0.866	61%	0.606	S	S	*	*			trans	-62.8	107.2	161.1	-105.8	2.4	0	0	0	110.2	L58 K62	L58-H60 PolarHBondContact O-N 2.82Å; H60-K62 PolarHBondContact O-N 3.17Å
61	N	42.6	Very low	59.6	Low	137 Å²	137	109.5 Å²	109.5	73%	0.733	57%	0.571	S	S	*	*			trans	-67.2	90	-174.2	-172.1	-19	0	0	0	111.7	P59 R63	P59-N61 PolarHBondContact O-N 3.15Å; N61-R63 VanDerWaalsContact C-N 3.25Å; N61-R63 PolarHBondContact O-N 2.85Å
62	K	56.9	Low	62.5	Low	196 Å²	196	103.4 Å²	103.4	85%	0.852	53%	0.534	S	S	*	.			trans	-65	79.7	175	-72.3	-175.3	179.3	176.7	0	110.9	H60 K64	H60-K62 PolarHBondContact O-N 3.17Å; K62-K64 PolarHBondContact O-N 3.05Å
63	R	64.9	Low	65.6	Low	191 Å²	191	98.5 Å²	98.5	72%	0.721	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-51.7	122.7	173.9	-70.5	-177.9	174.9	177.2	-1	109.8	N61	N61-R63 VanDerWaalsContact C-N 3.25Å; N61-R63 PolarHBondContact O-N 2.85Å
64	K	76	Confident	68.2	Low	167 Å²	167	97 Å²	97	73%	0.726	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-59.2	144	179.4	-66.7	179.7	-179.9	175.1	0	110.7	K62 L66 L114	K62-K64 PolarHBondContact O-N 3.05Å; K64-L66 PolarHBondContact O-N 2.98Å; K64-L114 HydrophobicContact CB-CD2 4.45Å
65	A	81.6	Confident	71	Confident	40 Å²	40	89.1 Å²	89.1	33%	0.331	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-57.6	130.5	176.3	0	0	0	0	0	111.2	Y67 V137	A65-Y67 HydrophobicContact CB-CD2 4.3Å; A65-Y67 HydrophobicContact CB-CE2 3.78Å; A65-V137 HydrophobicContact CB-CG1 3.79Å; A65-V137 HydrophobicContact CB-CG2 4.44Å
66	L	89	Confident	73.7	Confident	57 Å²	57	87.1 Å²	87.1	30%	0.298	43%	0.431	S	S	.	.			trans	-100.7	99.3	173.4	-68.6	177.9	0	0	0	109	K64 R112 L114 A138	K64-L66 PolarHBondContact O-N 2.98Å; L66-R112 HydrophobicContact CD2-CB 4.36Å; L66-L114 HydrophobicContact CD2-CD2 3.83Å; L66-A138 HydrophobicContact CB-CB 4.23Å; L66-A138 WeakPolarHBondContact O-CB 3.36Å; L66-A138 PolarHBondContact O-N 2.91Å
67	Y	91.7	Very high	76.2	Confident	48 Å²	48	86.1 Å²	86.1	19%	0.188	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	140.1	177.2	-65.2	-97.7	0	0	0	110.4	A65 S113 Q116 Q135 V137	A65-Y67 HydrophobicContact CB-CD2 4.3Å; A65-Y67 HydrophobicContact CB-CE2 3.78Å; Y67-S113 PolarHBondContact N-O 2.81Å; Y67-S113 PolarHBondContact O-N 3.05Å; Y67-Q116 HydrophobicContact CD1-CB 3.9Å; Y67-Q116 HydrophobicContact CD1-CG 4.11Å; Y67-Q116 HydrophobicContact CE1-CB 3.54Å; Y67-Q116 HydrophobicContact CE1-CG 3.84Å; Y67-Q116 HydrophobicContact CE2-CB 4.45Å; Y67-Q116 HydrophobicContact CG-CB 4.48Å; Y67-Q135 HydrophobicContact CD1-CB 4.44Å; Y67-Q135 HydrophobicContact CD1-CG 4.31Å; Y67-V137 HydrophobicContact CD1-CG2 3.76Å; Y67-V137 HydrophobicContact CE1-CG2 3.75Å; Y67-V137 HydrophobicContact CG-CG2 4.28Å
68	T	93	Very high	78.9	Confident	15 Å²	15	80.7 Å²	80.7	9%	0.092	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	170.3	-175.7	73.7	0	0	0	0	110.6	Y70 Q135 Q136 A138	T68-Y70 PolarHBondContact O-N 2.99Å; T68-Y70 WeakPolarHBondContact OG1-CD2 3.5Å; T68-Y70 PolarHBondContact OG1-N 2.93Å; T68-Q135 PolarHBondContact O-NE2 2.77Å; T68-Q136 WeakPolarHBondContact CB-O 3.17Å; T68-Q136 WeakPolarHBondContact CG2-O 3.09Å; T68-Q136 PolarHBondContact N-O 2.8Å; T68-Q136 PolarHBondContact OG1-O 3.02Å; T68-A138 HydrophobicContact CG2-CB 3.74Å
69	P	94	Very high	81.7	Confident	4 Å²	4	77.2 Å²	77.2	3%	0.026	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	9.9	176.9	33.9	-38.3	0	0	0	113	W71 K105 H106 I109 S110	P69-W71 WeakPolarHBondContact O-CZ3 3.5Å; P69-K105 HydrophobicContact CB-CG 4.45Å; P69-K105 CarbonylContact O-C 3.33Å; P69-K105 VanDerWaalsContact O-CA 3.26Å; P69-K105 WeakPolarHBondContact O-CA 3.31Å; P69-H106 PolarHBondContact O-N 3.26Å; P69-I109 HydrophobicContact CB-CB 3.86Å; P69-I109 HydrophobicContact CB-CG2 4.12Å; P69-S110 WeakPolarHBondContact CD-O 3.43Å
70	Y	96.4	Very high	84.5	Confident	69 Å²	69	80 Å²	80	27%	0.271	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	143.3	-174.5	-55.9	-82.8	0	0	0	111.2	T68 L94 H103 F104 K105 Q136	T68-Y70 PolarHBondContact O-N 2.99Å; T68-Y70 WeakPolarHBondContact OG1-CD2 3.5Å; T68-Y70 PolarHBondContact OG1-N 2.93Å; Y70-L94 HydrophobicContact CD1-CD1 3.7Å; Y70-L94 HydrophobicContact CE1-CD1 3.65Å; Y70-H103 AromaticContact CD1-NE2 3.29Å; Y70-H103 VanDerWaalsContact CD1-NE2 3.29Å; Y70-H103 WeakPolarHBondContact CD1-NE2 3.39Å; Y70-H103 AromaticContact CG-NE2 3.66Å; Y70-F104 CarbonylContact C-O 3.51Å; Y70-F104 VanDerWaalsContact CA-O 3.28Å; Y70-F104 WeakPolarHBondContact CA-O 3.29Å; Y70-K105 HydrophobicContact CD1-CB 3.78Å; Y70-K105 HydrophobicContact CD1-CG 3.83Å; Y70-K105 HydrophobicContact CE1-CB 4.04Å; Y70-K105 HydrophobicContact CE1-CD 4.08Å; Y70-K105 HydrophobicContact CE1-CG 3.73Å; Y70-Q136 WeakPolarHBondContact O-CB 3.49Å; Y70-Q136 PolarHBondContact O-N 3.42Å
71	W	96.6	Very high	87.1	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	141.5	173.8	-85.3	-117.4	0	0	0	108.8	P69 V73 F91 F104 H106 I109 N117 H121 L124 E134 Q135	P69-W71 WeakPolarHBondContact O-CZ3 3.5Å; W71-V73 HydrophobicContact CB-CG2 3.82Å; W71-F91 AromaticContact CD2-CE1 3.79Å; W71-F91 HydrophobicContact CD2-CE1 3.79Å; W71-F91 HydrophobicContact CD2-CZ 4.46Å; W71-F91 AromaticContact CE3-CE1 3.73Å; W71-F91 HydrophobicContact CE3-CE1 3.73Å; W71-F91 HydrophobicContact CG-CE1 4.19Å; W71-F91 HydrophobicContact CZ3-CE1 4.22Å; W71-F104 HydrophobicContact CB-CB 4.14Å; W71-F104 PolarHBondContact N-O 2.91Å; W71-F104 PolarHBondContact O-N 2.9Å; W71-H106 HydrophobicContact CZ3-CB 4.47Å; W71-I109 HydrophobicContact CH2-CD1 3.39Å; W71-I109 HydrophobicContact CZ3-CD1 3.7Å; W71-N117 HydrophobicContact CH2-CB 4.21Å; W71-N117 HydrophobicContact CZ2-CB 4.47Å; W71-H121 AromaticContact CD1-ND1 3.98Å; W71-H121 HydrophobicContact CZ2-CB 4.25Å; W71-H121 AromaticContact NE1-CG 3.91Å; W71-H121 AromaticContact NE1-ND1 3.36Å; W71-H121 PolarHBondContact NE1-ND1 2.77Å; W71-L124 HydrophobicContact CG-CD1 4.24Å; W71-E134 WeakPolarHBondContact CA-O 3.38Å; W71-Q135 HydrophobicContact CD2-CB 4.01Å; W71-Q135 HydrophobicContact CD2-CG 3.94Å; W71-Q135 HydrophobicContact CE3-CG 3.99Å; W71-Q135 HydrophobicContact CG-CB 4.44Å; W71-Q135 HydrophobicContact CH2-CB 4.29Å; W71-Q135 HydrophobicContact CH2-CG 3.57Å; W71-Q135 VanDerWaalsContact CH2-NE2 3.29Å; W71-Q135 HydrophobicContact CZ2-CB 3.77Å; W71-Q135 VanDerWaalsContact CZ2-CD 3.44Å; W71-Q135 HydrophobicContact CZ2-CG 3.58Å; W71-Q135 HydrophobicContact CZ3-CG 3.8Å
72	A	97.2	Very high	89.7	Confident	6 Å²	6	65.2 Å²	65.2	5%	0.05	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	135.1	154.8	0	0	0	0	0	107.1	I97 I101 Y102 W132 L133 E134	A72-I97 HydrophobicContact CB-CD1 3.69Å; A72-I101 HydrophobicContact CB-CG2 4.17Å; A72-Y102 WeakPolarHBondContact CA-O 3.34Å; A72-W132 HydrophobicContact CB-CH2 4.12Å; A72-W132 HydrophobicContact CB-CZ3 3.76Å; A72-L133 CarbonylContact O-C 3.56Å; A72-L133 VanDerWaalsContact O-CA 3.24Å; A72-L133 WeakPolarHBondContact O-CA 3.25Å; A72-E134 PolarHBondContact N-O 2.74Å; A72-E134 PolarHBondContact O-N 3.39Å
73	V	96.8	Very high	91.6	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	118.2	-174.9	-164.6	0	0	0	0	109.4	W71 I75 I101 Y102 F104 L124 V130 W132 L133	W71-V73 HydrophobicContact CB-CG2 3.82Å; V73-I75 HydrophobicContact CB-CD1 4.04Å; V73-I75 HydrophobicContact CB-CG1 4.23Å; V73-I75 HydrophobicContact CG1-CD1 3.75Å; V73-I75 HydrophobicContact CG1-CG1 3.69Å; V73-I101 CarbonylContact O-C 3.59Å; V73-I101 WeakPolarHBondContact O-CA 3.35Å; V73-Y102 PolarHBondContact N-O 2.84Å; V73-Y102 PolarHBondContact O-N 3.49Å; V73-F104 HydrophobicContact CG2-CB 4.18Å; V73-F104 HydrophobicContact CG2-CD1 4.38Å; V73-F104 HydrophobicContact CG2-CD2 3.83Å; V73-F104 HydrophobicContact CG2-CE2 4.25Å; V73-F104 HydrophobicContact CG2-CG 3.9Å; V73-L124 HydrophobicContact CG2-CD1 3.99Å; V73-V130 HydrophobicContact CG1-CB 4.36Å; V73-V130 HydrophobicContact CG1-CG1 3.68Å; V73-V130 HydrophobicContact CG1-CG2 3.79Å; V73-W132 CarbonylContact C-O 3.56Å; V73-W132 WeakPolarHBondContact CA-O 3.29Å; V73-L133 HydrophobicContact CG1-CB 4.26Å; V73-L133 HydrophobicContact CG2-CB 4.46Å
74	E	97.4	Very high	93.1	Very high	72 Å²	72	55.7 Å²	55.7	34%	0.336	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	124.8	174.6	-172.5	-173.6	158.2	0	0	109.8	G100 I101 V130 V131 W132	E74-G100 WeakPolarHBondContact CA-O 3.17Å; E74-I101 HydrophobicContact CB-CG1 4.09Å; E74-I101 HydrophobicContact CG-CG1 4.08Å; E74-V130 WeakPolarHBondContact O-CA 3.46Å; E74-V131 HydrophobicContact CB-CB 4.16Å; E74-V131 HydrophobicContact CG-CB 3.97Å; E74-V131 HydrophobicContact CG-CG2 4.29Å; E74-V131 PolarHBondContact O-N 3.29Å; E74-W132 HydrophobicContact CB-CB 4.02Å; E74-W132 HydrophobicContact CB-CE3 4.38Å; E74-W132 PolarHBondContact N-O 3.41Å
75	I	95.5	Very high	94.1	Very high	7 Å²	7	47.9 Å²	47.9	4%	0.036	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	120.3	-166.1	-60.9	174.5	0	0	0	112.2	V73 A81 A82 I85 G100 Y102 F104 Q129 V130	V73-I75 HydrophobicContact CB-CD1 4.04Å; V73-I75 HydrophobicContact CB-CG1 4.23Å; V73-I75 HydrophobicContact CG1-CD1 3.75Å; V73-I75 HydrophobicContact CG1-CG1 3.69Å; I75-A81 HydrophobicContact CG2-CB 3.87Å; I75-A82 HydrophobicContact CB-CB 4.5Å; I75-A82 HydrophobicContact CD1-CB 3.79Å; I75-A82 HydrophobicContact CG2-CB 4.48Å; I75-I85 HydrophobicContact CD1-CD1 4.2Å; I75-I85 HydrophobicContact CG1-CD1 4.35Å; I75-I85 HydrophobicContact CG2-CD1 3.55Å; I75-G100 PolarHBondContact N-O 2.89Å; I75-Y102 HydrophobicContact CB-CD2 3.9Å; I75-Y102 HydrophobicContact CB-CE2 4.09Å; I75-Y102 HydrophobicContact CD1-CD2 4.09Å; I75-Y102 HydrophobicContact CG1-CD2 4.19Å; I75-F104 HydrophobicContact CD1-CE1 3.85Å; I75-F104 HydrophobicContact CD1-CE2 4.16Å; I75-F104 HydrophobicContact CD1-CZ 3.33Å; I75-Q129 WeakPolarHBondContact CA-O 3.4Å; I75-Q129 HydrophobicContact CG2-CB 4.4Å; I75-V130 HydrophobicContact CG1-CG2 4.3Å
76	K	93.4	Very high	94.8	Very high	126 Å²	126	46.1 Å²	46.1	55%	0.548	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	131.4	169.7	-72.5	159.7	179.6	158.6	0	110.1	A81 Q129 V131	K76-A81 WeakPolarHBondContact O-CB 3.39Å; K76-Q129 PolarHBondContact N-O 3.31Å; K76-V131 HydrophobicContact CD-CG2 3.89Å; K76-V131 HydrophobicContact CG-CG2 3.68Å
77	G	89.8	Confident	95.1	Very high	67 Å²	67	51.2 Å²	51.2	69%	0.691	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.1	2	-178.4	0	0	0	0	0	115
78	G	92.1	Very high	95.3	Very high	24 Å²	24	55.1 Å²	55.1	25%	0.247	28%	0.281	C	S	.	.	H	α-helix	trans	70.1	-165.4	171.4	0	0	0	0	0	114.4	K80 A81 A82 Y102	G78-K80 PolarHBondContact O-N 2.93Å; G78-K80 VanDerWaalsContact O-N 3.07Å; G78-A81 WeakPolarHBondContact O-CB 3.26Å; G78-A81 PolarHBondContact O-N 3Å; G78-A82 PolarHBondContact O-N 3.04Å; G78-Y102 WeakPolarHBondContact CA-OH 3.41Å
79	E	94.1	Very high	95.4	Very high	84 Å²	84	56.6 Å²	56.6	39%	0.393	29%	0.285	S	S	.	.	H	α-helix	trans	-53.6	-34.9	-173.2	174	168.7	-144	0	0	113.9	A82 R83 Y93 Y102	E79-A82 PolarHBondContact O-N 3.15Å; E79-R83 HydrophobicContact CG-CG 4.22Å; E79-R83 WeakPolarHBondContact O-CG 3.26Å; E79-R83 PolarHBondContact O-N 3.06Å; E79-R83 IonicContact OE1-CZ 2.67Å; E79-R83 IonicContact OE1-NE 3.56Å; E79-R83 PolarHBondContact OE1-NE 2.79Å; E79-R83 IonicContact OE1-NH2 3.86Å; E79-R83 PolarHBondContact OE1-NH2 3.33Å; E79-Y93 HydrophobicContact CG-CE1 4.43Å; E79-Y93 WeakPolarHBondContact CG-OH 3.22Å; E79-Y93 WeakPolarHBondContact OE1-CE1 3.48Å; E79-Y93 PolarHBondContact OE1-OH 3.38Å; E79-Y102 HydrophobicContact CB-CE1 4.07Å; E79-Y102 PolarHBondContact N-OH 2.77Å
80	K	95.6	Very high	95.5	Very high	184 Å²	184	58.5 Å²	58.5	80%	0.8	31%	0.306	S	S	*	.	H	α-helix	trans	-66.1	-41.6	178.7	-169	-179.9	-180	-177.2	0	111.9	G78 A84	G78-K80 PolarHBondContact O-N 2.93Å; G78-K80 VanDerWaalsContact O-N 3.07Å; K80-A84 PolarHBondContact O-N 3.17Å
81	A	95.5	Very high	95.5	Very high	12 Å²	12	55.7 Å²	55.7	10%	0.099	30%	0.295	C	S	.	.	H	α-helix	trans	-66.6	-43.8	171.6	0	0	0	0	0	110.6	I75 K76 G78 R83 A84 I85	I75-A81 HydrophobicContact CG2-CB 3.87Å; K76-A81 WeakPolarHBondContact O-CB 3.39Å; G78-A81 WeakPolarHBondContact O-CB 3.26Å; G78-A81 PolarHBondContact O-N 3Å; A81-R83 PolarHBondContact O-N 3.44Å; A81-A84 PolarHBondContact O-N 3.11Å; A81-A84 VanDerWaalsContact O-N 3.1Å; A81-I85 WeakPolarHBondContact O-CG1 3.41Å; A81-I85 PolarHBondContact O-N 3.33Å
82	A	96.3	Very high	95.4	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-57.6	-44.3	179.2	0	0	0	0	0	113.3	I75 G78 E79 I85 A86 Y93 Y102 F104	I75-A82 HydrophobicContact CB-CB 4.5Å; I75-A82 HydrophobicContact CD1-CB 3.79Å; I75-A82 HydrophobicContact CG2-CB 4.48Å; G78-A82 PolarHBondContact O-N 3.04Å; E79-A82 PolarHBondContact O-N 3.15Å; A82-I85 PolarHBondContact O-N 2.86Å; A82-A86 WeakPolarHBondContact O-CB 3.3Å; A82-A86 PolarHBondContact O-N 2.88Å; A82-Y93 HydrophobicContact CB-CD2 4.46Å; A82-Y93 HydrophobicContact CB-CE2 4.12Å; A82-Y102 HydrophobicContact CB-CD1 3.86Å; A82-Y102 HydrophobicContact CB-CD2 3.35Å; A82-Y102 HydrophobicContact CB-CE1 4.28Å; A82-Y102 HydrophobicContact CB-CE2 3.79Å; A82-Y102 HydrophobicContact CB-CG 3.39Å; A82-F104 HydrophobicContact CB-CE1 4.25Å; A82-F104 WeakPolarHBondContact O-CZ 3.09Å
83	R	97.2	Very high	95.4	Very high	135 Å²	135	61 Å²	61	51%	0.509	32%	0.319	S	S	.	.	H	α-helix	trans	-64.1	-41.4	175.4	-72.1	172.4	179	-120	8.5	111.9	E79 A81 A86 E87 Y93	E79-R83 HydrophobicContact CG-CG 4.22Å; E79-R83 WeakPolarHBondContact O-CG 3.26Å; E79-R83 PolarHBondContact O-N 3.06Å; E79-R83 IonicContact OE1-CZ 2.67Å; E79-R83 IonicContact OE1-NE 3.56Å; E79-R83 PolarHBondContact OE1-NE 2.79Å; E79-R83 IonicContact OE1-NH2 3.86Å; E79-R83 PolarHBondContact OE1-NH2 3.33Å; A81-R83 PolarHBondContact O-N 3.44Å; R83-A86 PolarHBondContact O-N 2.87Å; R83-E87 WeakPolarHBondContact O-CB 3.42Å; R83-E87 PolarHBondContact O-N 3.18Å; R83-Y93 HydrophobicContact CG-CD1 3.83Å; R83-Y93 HydrophobicContact CG-CD2 4.13Å; R83-Y93 HydrophobicContact CG-CE1 4.06Å; R83-Y93 HydrophobicContact CG-CE2 4.36Å; R83-Y93 HydrophobicContact CG-CG 3.86Å
84	A	96.7	Very high	95.3	Very high	53 Å²	53	64.6 Å²	64.6	44%	0.438	34%	0.338	S	S	.	.	H	α-helix	trans	-66	-41.2	177.6	0	0	0	0	0	112.9	K80 A81 E87 K88	K80-A84 PolarHBondContact O-N 3.17Å; A81-A84 PolarHBondContact O-N 3.11Å; A81-A84 VanDerWaalsContact O-N 3.1Å; A84-E87 PolarHBondContact O-N 3.05Å; A84-K88 WeakPolarHBondContact O-CB 3.32Å; A84-K88 PolarHBondContact O-N 2.82Å
85	I	96.3	Very high	95.1	Very high	3 Å²	3	62 Å²	62	2%	0.015	33%	0.332	C	S	.	.	H	α-helix	trans	-67.8	-41.2	175.6	-63.3	175	0	0	0	110.6	I75 A81 A82 E87 K88 Y89 F104 L124 Q129 V130	I75-I85 HydrophobicContact CD1-CD1 4.2Å; I75-I85 HydrophobicContact CG1-CD1 4.35Å; I75-I85 HydrophobicContact CG2-CD1 3.55Å; A81-I85 WeakPolarHBondContact O-CG1 3.41Å; A81-I85 PolarHBondContact O-N 3.33Å; A82-I85 PolarHBondContact O-N 2.86Å; I85-E87 PolarHBondContact O-N 3.1Å; I85-K88 PolarHBondContact O-N 3.37Å; I85-Y89 HydrophobicContact CG2-CD2 3.78Å; I85-Y89 HydrophobicContact CG2-CE2 4.02Å; I85-Y89 WeakPolarHBondContact O-CD2 3.47Å; I85-Y89 PolarHBondContact O-N 2.89Å; I85-Y89 VanDerWaalsContact O-N 3.11Å; I85-F104 HydrophobicContact CB-CE2 4.45Å; I85-F104 HydrophobicContact CB-CZ 4.36Å; I85-F104 HydrophobicContact CG2-CE2 4.05Å; I85-F104 HydrophobicContact CG2-CZ 4.38Å; I85-L124 HydrophobicContact CG2-CD2 3.79Å; I85-Q129 HydrophobicContact CD1-CB 3.58Å; I85-V130 HydrophobicContact CD1-CG2 4.18Å; I85-V130 HydrophobicContact CG2-CG2 4.24Å
86	A	96.3	Very high	95.1	Very high	2 Å²	2	66.5 Å²	66.5	2%	0.017	35%	0.353	C	S	.	.	H	α-helix	trans	-57.2	-49.7	175.4	0	0	0	0	0	111	A82 R83 Y89 G90 F91 F104	A82-A86 WeakPolarHBondContact O-CB 3.3Å; A82-A86 PolarHBondContact O-N 2.88Å; R83-A86 PolarHBondContact O-N 2.87Å; A86-Y89 PolarHBondContact O-N 2.88Å; A86-G90 PolarHBondContact O-N 2.87Å; A86-F91 CarbonylContact C-O 3.59Å; A86-F91 HydrophobicContact CB-CB 4.27Å; A86-F91 PolarHBondContact O-N 2.89Å; A86-F91 VanDerWaalsContact O-O 3.08Å; A86-F104 HydrophobicContact CB-CD1 4.32Å; A86-F104 HydrophobicContact CB-CD2 4.18Å; A86-F104 HydrophobicContact CB-CE1 3.97Å; A86-F104 HydrophobicContact CB-CE2 3.82Å; A86-F104 HydrophobicContact CB-CG 4.43Å; A86-F104 HydrophobicContact CB-CZ 3.71Å
87	E	95.6	Very high	95.1	Very high	164 Å²	164	64.5 Å²	64.5	77%	0.766	35%	0.347	S	S	*	.	H	α-helix	trans	-61.6	-49.2	176.6	-174.3	167.9	-154.8	0	0	112.3	R83 A84 I85 Y89 G90	R83-E87 WeakPolarHBondContact O-CB 3.42Å; R83-E87 PolarHBondContact O-N 3.18Å; A84-E87 PolarHBondContact O-N 3.05Å; I85-E87 PolarHBondContact O-N 3.1Å; E87-Y89 PolarHBondContact O-N 3.15Å; E87-G90 PolarHBondContact O-N 3.06Å; E87-G90 VanDerWaalsContact O-N 3.08Å
88	K	95.7	Very high	95.1	Very high	130 Å²	130	66.4 Å²	66.4	57%	0.565	34%	0.34	S	S	*	.	H	α-helix	trans	-52.7	-37.2	178.9	179.3	-177.2	171.2	-165.1	0	113.5	A84 I85 D127	A84-K88 WeakPolarHBondContact O-CB 3.32Å; A84-K88 PolarHBondContact O-N 2.82Å; I85-K88 PolarHBondContact O-N 3.37Å; K88-D127 IonicContact NZ-OD2 2.67Å; K88-D127 PolarHBondContact NZ-OD2 2.82Å
89	Y	95.4	Very high	95.2	Very high	46 Å²	46	70.9 Å²	70.9	18%	0.18	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	11.7	-179.2	-62.6	-75.5	0	0	0	114.2	I85 A86 E87 F91 Q123 L124 D127	I85-Y89 HydrophobicContact CG2-CD2 3.78Å; I85-Y89 HydrophobicContact CG2-CE2 4.02Å; I85-Y89 WeakPolarHBondContact O-CD2 3.47Å; I85-Y89 PolarHBondContact O-N 2.89Å; I85-Y89 VanDerWaalsContact O-N 3.11Å; A86-Y89 PolarHBondContact O-N 2.88Å; E87-Y89 PolarHBondContact O-N 3.15Å; Y89-F91 VanDerWaalsContact C-N 3.33Å; Y89-F91 WeakPolarHBondContact O-CD2 3.48Å; Y89-F91 PolarHBondContact O-N 3.33Å; Y89-Q123 HydrophobicContact CD1-CB 3.88Å; Y89-Q123 HydrophobicContact CD1-CG 4.38Å; Y89-Q123 HydrophobicContact CE1-CB 4.29Å; Y89-Q123 VanDerWaalsContact CE1-O 3.23Å; Y89-Q123 WeakPolarHBondContact CE1-O 3.43Å; Y89-L124 HydrophobicContact CD2-CD2 3.92Å; Y89-L124 HydrophobicContact CG-CD2 4.25Å; Y89-D127 HydrophobicContact CE2-CB 3.92Å; Y89-D127 WeakPolarHBondContact CE2-OD2 3.46Å; Y89-D127 PolarHBondContact OH-OD2 2.83Å
90	G	94.8	Very high	95.1	Very high	45 Å²	45	68 Å²	68	46%	0.464	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	17.4	174.9	0	0	0	0	0	115.7	A86 E87 H106	A86-G90 PolarHBondContact O-N 2.87Å; E87-G90 PolarHBondContact O-N 3.06Å; E87-G90 VanDerWaalsContact O-N 3.08Å; G90-H106 PolarHBondContact O-CD2 3.03Å; G90-H106 VanDerWaalsContact O-CD2 3.27Å
91	F	96.6	Very high	95.1	Very high	10 Å²	10	60.9 Å²	60.9	4%	0.044	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	144.7	172.4	-70.4	-105.4	0	0	0	111.1	W71 A86 Y89 F104 H106 Y120 L124	W71-F91 AromaticContact CD2-CE1 3.79Å; W71-F91 HydrophobicContact CD2-CE1 3.79Å; W71-F91 HydrophobicContact CD2-CZ 4.46Å; W71-F91 AromaticContact CE3-CE1 3.73Å; W71-F91 HydrophobicContact CE3-CE1 3.73Å; W71-F91 HydrophobicContact CG-CE1 4.19Å; W71-F91 HydrophobicContact CZ3-CE1 4.22Å; A86-F91 CarbonylContact C-O 3.59Å; A86-F91 HydrophobicContact CB-CB 4.27Å; A86-F91 PolarHBondContact O-N 2.89Å; A86-F91 VanDerWaalsContact O-O 3.08Å; Y89-F91 VanDerWaalsContact C-N 3.33Å; Y89-F91 WeakPolarHBondContact O-CD2 3.48Å; Y89-F91 PolarHBondContact O-N 3.33Å; F91-F104 HydrophobicContact CB-CB 4.15Å; F91-F104 HydrophobicContact CB-CD2 3.85Å; F91-F104 HydrophobicContact CB-CG 4.24Å; F91-F104 HydrophobicContact CD1-CB 3.82Å; F91-F104 HydrophobicContact CD1-CD2 4.18Å; F91-F104 HydrophobicContact CG-CB 4.28Å; F91-F104 AromaticContact CG-CD2 3.96Å; F91-F104 HydrophobicContact CG-CD2 3.96Å; F91-H106 HydrophobicContact CD1-CB 3.74Å; F91-H106 HydrophobicContact CE1-CB 3.69Å; F91-H106 HydrophobicContact CG-CB 4.36Å; F91-H106 HydrophobicContact CZ-CB 4.24Å; F91-Y120 HydrophobicContact CE2-CD1 4.49Å; F91-Y120 WeakPolarHBondContact CZ-O 3.37Å; F91-L124 HydrophobicContact CD1-CD1 4.32Å; F91-L124 HydrophobicContact CD2-CD1 4.26Å; F91-L124 HydrophobicContact CD2-CD2 4.15Å; F91-L124 HydrophobicContact CD2-CG 4.31Å; F91-L124 HydrophobicContact CE1-CD1 3.72Å; F91-L124 HydrophobicContact CE2-CD1 3.68Å; F91-L124 HydrophobicContact CE2-CD2 3.97Å; F91-L124 HydrophobicContact CE2-CG 3.65Å; F91-L124 HydrophobicContact CZ-CD1 3.36Å; F91-L124 HydrophobicContact CZ-CG 3.8Å
92	L	95.7	Very high	95.2	Very high	80 Å²	80	60.7 Å²	60.7	42%	0.419	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	120.3	165.5	178.6	63.5	0	0	0	109.2	L94 F104 K105	L92-L94 HydrophobicContact CD2-CD2 3.78Å; L92-L94 HydrophobicContact CG-CD2 3.91Å; L92-F104 CarbonylContact O-C 3.59Å; L92-F104 WeakPolarHBondContact O-CA 3.23Å; L92-K105 HydrophobicContact CB-CB 4.48Å; L92-K105 HydrophobicContact CD2-CD 4.28Å; L92-K105 PolarHBondContact N-O 2.92Å; L92-K105 PolarHBondContact O-N 3.08Å
93	Y	96.3	Very high	95.3	Very high	36 Å²	36	63.5 Å²	63.5	14%	0.141	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	132.6	166.7	177.8	-99	0	0	0	110.5	E79 A82 R83 G95 E96 Y102 F104	E79-Y93 HydrophobicContact CG-CE1 4.43Å; E79-Y93 WeakPolarHBondContact CG-OH 3.22Å; E79-Y93 WeakPolarHBondContact OE1-CE1 3.48Å; E79-Y93 PolarHBondContact OE1-OH 3.38Å; A82-Y93 HydrophobicContact CB-CD2 4.46Å; A82-Y93 HydrophobicContact CB-CE2 4.12Å; R83-Y93 HydrophobicContact CG-CD1 3.83Å; R83-Y93 HydrophobicContact CG-CD2 4.13Å; R83-Y93 HydrophobicContact CG-CE1 4.06Å; R83-Y93 HydrophobicContact CG-CE2 4.36Å; R83-Y93 HydrophobicContact CG-CG 3.86Å; Y93-G95 VanDerWaalsContact CZ-CA 3.46Å; Y93-G95 WeakPolarHBondContact OH-CA 3.45Å; Y93-E96 PolarHBondContact OH-N 2.98Å; Y93-Y102 AromaticContact CE2-CD1 3.7Å; Y93-Y102 HydrophobicContact CE2-CD1 3.7Å; Y93-Y102 HydrophobicContact CE2-CG 4.12Å; Y93-F104 HydrophobicContact CD2-CD1 4.31Å; Y93-F104 HydrophobicContact CD2-CE1 4.03Å
94	L	94.2	Very high	95.3	Very high	76 Å²	76	57 Å²	57	40%	0.398	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	-8.9	-178.6	-61.5	180	0	0	0	114.4	Y70 L92 H103 K105	Y70-L94 HydrophobicContact CD1-CD1 3.7Å; Y70-L94 HydrophobicContact CE1-CD1 3.65Å; L92-L94 HydrophobicContact CD2-CD2 3.78Å; L92-L94 HydrophobicContact CG-CD2 3.91Å; L94-H103 HydrophobicContact CB-CB 4.06Å; L94-H103 WeakPolarHBondContact CB-O 3.31Å; L94-H103 PolarHBondContact N-O 3.01Å; L94-K105 HydrophobicContact CD1-CB 3.75Å; L94-K105 HydrophobicContact CG-CB 4.19Å
95	G	93.5	Very high	95.2	Very high	19 Å²	19	57 Å²	57	20%	0.196	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	130.6	177.2	-176	0	0	0	0	0	113.3	Y93 H103	Y93-G95 VanDerWaalsContact CZ-CA 3.46Å; Y93-G95 WeakPolarHBondContact OH-CA 3.45Å; G95-H103 WeakPolarHBondContact O-CB 3.32Å; G95-H103 PolarHBondContact O-N 3.36Å
96	E	95.6	Very high	95.2	Very high	101 Å²	101	57.4 Å²	57.4	47%	0.472	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	143.1	170.7	-166.7	165.1	-122.9	0	0	110.4	Y93 L98 G100 Y102	Y93-E96 PolarHBondContact OH-N 2.98Å; E96-L98 WeakPolarHBondContact CG-O 3.32Å; E96-G100 PolarHBondContact OE1-N 2.76Å; E96-Y102 HydrophobicContact CB-CD1 3.88Å; E96-Y102 HydrophobicContact CB-CE1 3.76Å; E96-Y102 HydrophobicContact CG-CD1 3.95Å; E96-Y102 HydrophobicContact CG-CE1 3.56Å; E96-Y102 WeakPolarHBondContact OE1-CE1 3.48Å; E96-Y102 PolarHBondContact OE1-OH 2.91Å
97	I	93.4	Very high	94.9	Very high	83 Å²	83	62.3 Å²	62.3	43%	0.426	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-46.4	176.9	-52.3	176.3	0	0	0	109.6	A72 I101 H103	A72-I97 HydrophobicContact CB-CD1 3.69Å; I97-I101 HydrophobicContact CD1-CG2 4.44Å; I97-I101 PolarHBondContact N-O 2.83Å; I97-H103 HydrophobicContact CD1-CB 3.86Å; I97-H103 HydrophobicContact CG1-CB 3.66Å
98	L	91.1	Very high	94.6	Very high	107 Å²	107	64.4 Å²	64.4	56%	0.56	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147	156	176.7	-66.4	173.5	0	0	0	106.5	E96 G100 I101	E96-L98 WeakPolarHBondContact CG-O 3.32Å; L98-G100 PolarHBondContact O-N 2.92Å; L98-G100 VanDerWaalsContact O-N 3.07Å; L98-I101 HydrophobicContact CB-CB 4.38Å; L98-I101 HydrophobicContact CB-CD1 4.44Å; L98-I101 HydrophobicContact CD1-CD1 4.45Å; L98-I101 PolarHBondContact N-O 3.48Å; L98-I101 PolarHBondContact O-N 2.89Å; L98-I101 VanDerWaalsContact O-O 3.1Å
99	P	92.6	Very high	94.2	Very high	119 Å²	119	59.1 Å²	59.1	77%	0.773	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	117.3	-179.1	-29.8	36.6	0	0	0	112.9
100	G	92.1	Very high	93.6	Very high	22 Å²	22	60 Å²	60	23%	0.227	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	-6.7	-177.6	0	0	0	0	0	116.3	E74 I75 E96 L98 Y102	E74-G100 WeakPolarHBondContact CA-O 3.17Å; I75-G100 PolarHBondContact N-O 2.89Å; E96-G100 PolarHBondContact OE1-N 2.76Å; L98-G100 PolarHBondContact O-N 2.92Å; L98-G100 VanDerWaalsContact O-N 3.07Å; G100-Y102 WeakPolarHBondContact CA-OH 3.45Å; G100-Y102 WeakPolarHBondContact O-CD2 3.45Å; G100-Y102 VanDerWaalsContact O-CE2 3.23Å; G100-Y102 WeakPolarHBondContact O-CE2 3.49Å
101	I	96.9	Very high	92.9	Very high	36 Å²	36	65.5 Å²	65.5	19%	0.185	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	117.3	179.7	-52.8	-179.5	0	0	0	110.2	A72 V73 E74 I97 L98 W132	A72-I101 HydrophobicContact CB-CG2 4.17Å; V73-I101 CarbonylContact O-C 3.59Å; V73-I101 WeakPolarHBondContact O-CA 3.35Å; E74-I101 HydrophobicContact CB-CG1 4.09Å; E74-I101 HydrophobicContact CG-CG1 4.08Å; I97-I101 HydrophobicContact CD1-CG2 4.44Å; I97-I101 PolarHBondContact N-O 2.83Å; L98-I101 HydrophobicContact CB-CB 4.38Å; L98-I101 HydrophobicContact CB-CD1 4.44Å; L98-I101 HydrophobicContact CD1-CD1 4.45Å; L98-I101 PolarHBondContact N-O 3.48Å; L98-I101 PolarHBondContact O-N 2.89Å; L98-I101 VanDerWaalsContact O-O 3.1Å; I101-W132 HydrophobicContact CG2-CZ3 4.35Å
102	Y	97.6	Very high	92.2	Very high	7 Å²	7	74 Å²	74	3%	0.027	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	148.9	-168.6	-58.5	-74.7	0	0	0	113.1	A72 V73 I75 G78 E79 A82 Y93 E96 G100	A72-Y102 WeakPolarHBondContact CA-O 3.34Å; V73-Y102 PolarHBondContact N-O 2.84Å; V73-Y102 PolarHBondContact O-N 3.49Å; I75-Y102 HydrophobicContact CB-CD2 3.9Å; I75-Y102 HydrophobicContact CB-CE2 4.09Å; I75-Y102 HydrophobicContact CD1-CD2 4.09Å; I75-Y102 HydrophobicContact CG1-CD2 4.19Å; G78-Y102 WeakPolarHBondContact CA-OH 3.41Å; E79-Y102 HydrophobicContact CB-CE1 4.07Å; E79-Y102 PolarHBondContact N-OH 2.77Å; A82-Y102 HydrophobicContact CB-CD1 3.86Å; A82-Y102 HydrophobicContact CB-CD2 3.35Å; A82-Y102 HydrophobicContact CB-CE1 4.28Å; A82-Y102 HydrophobicContact CB-CE2 3.79Å; A82-Y102 HydrophobicContact CB-CG 3.39Å; Y93-Y102 AromaticContact CE2-CD1 3.7Å; Y93-Y102 HydrophobicContact CE2-CD1 3.7Å; Y93-Y102 HydrophobicContact CE2-CG 4.12Å; E96-Y102 HydrophobicContact CB-CD1 3.88Å; E96-Y102 HydrophobicContact CB-CE1 3.76Å; E96-Y102 HydrophobicContact CG-CD1 3.95Å; E96-Y102 HydrophobicContact CG-CE1 3.56Å; E96-Y102 WeakPolarHBondContact OE1-CE1 3.48Å; E96-Y102 PolarHBondContact OE1-OH 2.91Å; G100-Y102 WeakPolarHBondContact CA-OH 3.45Å; G100-Y102 WeakPolarHBondContact O-CD2 3.45Å; G100-Y102 VanDerWaalsContact O-CE2 3.23Å; G100-Y102 WeakPolarHBondContact O-CE2 3.49Å
103	H	97.1	Very high	91.7	Very high	59 Å²	59	71.5 Å²	71.5	27%	0.273	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	109.3	-179	-164.8	-179.9	0	0	0	110.2	Y70 L94 G95 I97	Y70-H103 AromaticContact CD1-NE2 3.29Å; Y70-H103 VanDerWaalsContact CD1-NE2 3.29Å; Y70-H103 WeakPolarHBondContact CD1-NE2 3.39Å; Y70-H103 AromaticContact CG-NE2 3.66Å; L94-H103 HydrophobicContact CB-CB 4.06Å; L94-H103 WeakPolarHBondContact CB-O 3.31Å; L94-H103 PolarHBondContact N-O 3.01Å; G95-H103 WeakPolarHBondContact O-CB 3.32Å; G95-H103 PolarHBondContact O-N 3.36Å; I97-H103 HydrophobicContact CD1-CB 3.86Å; I97-H103 HydrophobicContact CG1-CB 3.66Å
104	F	97.3	Very high	91.2	Very high	0 Å²	0	75.5 Å²	75.5	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	152.9	178.5	-77.8	23.7	0	0	0	110.2	Y70 W71 V73 I75 A82 I85 A86 F91 L92 Y93 L124	Y70-F104 CarbonylContact C-O 3.51Å; Y70-F104 VanDerWaalsContact CA-O 3.28Å; Y70-F104 WeakPolarHBondContact CA-O 3.29Å; W71-F104 HydrophobicContact CB-CB 4.14Å; W71-F104 PolarHBondContact N-O 2.91Å; W71-F104 PolarHBondContact O-N 2.9Å; V73-F104 HydrophobicContact CG2-CB 4.18Å; V73-F104 HydrophobicContact CG2-CD1 4.38Å; V73-F104 HydrophobicContact CG2-CD2 3.83Å; V73-F104 HydrophobicContact CG2-CE2 4.25Å; V73-F104 HydrophobicContact CG2-CG 3.9Å; I75-F104 HydrophobicContact CD1-CE1 3.85Å; I75-F104 HydrophobicContact CD1-CE2 4.16Å; I75-F104 HydrophobicContact CD1-CZ 3.33Å; A82-F104 HydrophobicContact CB-CE1 4.25Å; A82-F104 WeakPolarHBondContact O-CZ 3.09Å; I85-F104 HydrophobicContact CB-CE2 4.45Å; I85-F104 HydrophobicContact CB-CZ 4.36Å; I85-F104 HydrophobicContact CG2-CE2 4.05Å; I85-F104 HydrophobicContact CG2-CZ 4.38Å; A86-F104 HydrophobicContact CB-CD1 4.32Å; A86-F104 HydrophobicContact CB-CD2 4.18Å; A86-F104 HydrophobicContact CB-CE1 3.97Å; A86-F104 HydrophobicContact CB-CE2 3.82Å; A86-F104 HydrophobicContact CB-CG 4.43Å; A86-F104 HydrophobicContact CB-CZ 3.71Å; F91-F104 HydrophobicContact CB-CB 4.15Å; F91-F104 HydrophobicContact CB-CD2 3.85Å; F91-F104 HydrophobicContact CB-CG 4.24Å; F91-F104 HydrophobicContact CD1-CB 3.82Å; F91-F104 HydrophobicContact CD1-CD2 4.18Å; F91-F104 HydrophobicContact CG-CB 4.28Å; F91-F104 AromaticContact CG-CD2 3.96Å; F91-F104 HydrophobicContact CG-CD2 3.96Å; L92-F104 CarbonylContact O-C 3.59Å; L92-F104 WeakPolarHBondContact O-CA 3.23Å; Y93-F104 HydrophobicContact CD2-CD1 4.31Å; Y93-F104 HydrophobicContact CD2-CE1 4.03Å; F104-L124 HydrophobicContact CD2-CD1 4.06Å; F104-L124 HydrophobicContact CD2-CD2 4.06Å; F104-L124 HydrophobicContact CE2-CD2 3.84Å
105	K	95.9	Very high	90.9	Very high	53 Å²	53	82 Å²	82	23%	0.23	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	121.6	174.8	178.5	-144.7	176.2	-156.9	0	111.9	P69 Y70 L92 L94 N107	P69-K105 HydrophobicContact CB-CG 4.45Å; P69-K105 CarbonylContact O-C 3.33Å; P69-K105 VanDerWaalsContact O-CA 3.26Å; P69-K105 WeakPolarHBondContact O-CA 3.31Å; Y70-K105 HydrophobicContact CD1-CB 3.78Å; Y70-K105 HydrophobicContact CD1-CG 3.83Å; Y70-K105 HydrophobicContact CE1-CB 4.04Å; Y70-K105 HydrophobicContact CE1-CD 4.08Å; Y70-K105 HydrophobicContact CE1-CG 3.73Å; L92-K105 HydrophobicContact CB-CB 4.48Å; L92-K105 HydrophobicContact CD2-CD 4.28Å; L92-K105 PolarHBondContact N-O 2.92Å; L92-K105 PolarHBondContact O-N 3.08Å; L94-K105 HydrophobicContact CD1-CB 3.75Å; L94-K105 HydrophobicContact CG-CB 4.19Å; K105-N107 WeakPolarHBondContact CE-OD1 3.26Å; K105-N107 PolarHBondContact NZ-OD1 3.4Å
106	H	94.7	Very high	90.8	Very high	10 Å²	10	84.2 Å²	84.2	5%	0.046	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	120.9	175.1	-165.5	-100.6	0	0	0	112.1	P69 W71 G90 F91 R108 I109 Y120	P69-H106 PolarHBondContact O-N 3.26Å; W71-H106 HydrophobicContact CZ3-CB 4.47Å; G90-H106 PolarHBondContact O-CD2 3.03Å; G90-H106 VanDerWaalsContact O-CD2 3.27Å; F91-H106 HydrophobicContact CD1-CB 3.74Å; F91-H106 HydrophobicContact CE1-CB 3.69Å; F91-H106 HydrophobicContact CG-CB 4.36Å; F91-H106 HydrophobicContact CZ-CB 4.24Å; H106-R108 VanDerWaalsContact C-N 3.31Å; H106-R108 PolarHBondContact ND1-N 2.59Å; H106-R108 PolarHBondContact O-N 3.2Å; H106-I109 HydrophobicContact CB-CD1 3.81Å; H106-I109 HydrophobicContact CB-CG1 4.23Å; H106-I109 PolarHBondContact O-N 2.81Å; H106-Y120 AromaticContact CD2-CD1 3.99Å; H106-Y120 AromaticContact CD2-CE1 3.94Å; H106-Y120 AromaticContact CE1-CD1 3.9Å; H106-Y120 AromaticContact CE1-CE1 3.3Å; H106-Y120 WeakPolarHBondContact CE1-CE1 2.92Å; H106-Y120 AromaticContact CE1-CE2 3.53Å; H106-Y120 AromaticContact CE1-CZ 3.08Å; H106-Y120 PolarHBondContact CE1-OH 3.19Å; H106-Y120 VanDerWaalsContact CE1-OH 3.29Å; H106-Y120 AromaticContact ND1-CD2 3.83Å; H106-Y120 AromaticContact ND1-CE1 3.85Å; H106-Y120 AromaticContact ND1-CE2 3.62Å; H106-Y120 AromaticContact ND1-CZ 3.66Å; H106-Y120 AromaticContact NE2-CD1 3.92Å; H106-Y120 AromaticContact NE2-CE1 3.38Å; H106-Y120 WeakPolarHBondContact NE2-CE1 2.98Å; H106-Y120 AromaticContact NE2-CZ 3.67Å
107	N	91.3	Very high	90.6	Very high	106 Å²	106	81.6 Å²	81.6	57%	0.567	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-19.3	-170.4	-77.2	-37.5	0	0	0	114.9	K105 I109	K105-N107 WeakPolarHBondContact CE-OD1 3.26Å; K105-N107 PolarHBondContact NZ-OD1 3.4Å; N107-I109 VanDerWaalsContact C-N 3.3Å; N107-I109 PolarHBondContact O-N 2.95Å
108	R	89.6	Confident	90.6	Very high	208 Å²	208	82.1 Å²	82.1	79%	0.785	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	11.7	179.7	-52.6	-175	-177.4	164.8	-0.1	114.5	H106	H106-R108 VanDerWaalsContact C-N 3.31Å; H106-R108 PolarHBondContact ND1-N 2.59Å; H106-R108 PolarHBondContact O-N 3.2Å
109	I	86.8	Confident	90.7	Very high	19 Å²	19	84 Å²	84	10%	0.097	40%	0.396	C	S	.	.	S	Bend	trans	-117	139.4	-170.6	-57.4	-177.8	0	0	0	111.1	P69 W71 H106 N107 N117 Y120	P69-I109 HydrophobicContact CB-CB 3.86Å; P69-I109 HydrophobicContact CB-CG2 4.12Å; W71-I109 HydrophobicContact CH2-CD1 3.39Å; W71-I109 HydrophobicContact CZ3-CD1 3.7Å; H106-I109 HydrophobicContact CB-CD1 3.81Å; H106-I109 HydrophobicContact CB-CG1 4.23Å; H106-I109 PolarHBondContact O-N 2.81Å; N107-I109 VanDerWaalsContact C-N 3.3Å; N107-I109 PolarHBondContact O-N 2.95Å; I109-N117 HydrophobicContact CD1-CB 4.06Å; I109-Y120 HydrophobicContact CD1-CD2 3.6Å; I109-Y120 HydrophobicContact CD1-CE2 4.38Å; I109-Y120 HydrophobicContact CD1-CG 4.11Å; I109-Y120 HydrophobicContact CG1-CD2 4.16Å; I109-Y120 HydrophobicContact CG1-CE2 4.49Å
110	S	82.5	Confident	90.7	Very high	63 Å²	63	79.8 Å²	79.8	44%	0.441	37%	0.365	S	S	.	.			trans	-68.7	152.3	-178.2	99.5	0	0	0	0	112.3	P69 R112 S113	P69-S110 WeakPolarHBondContact CD-O 3.43Å; S110-R112 PolarHBondContact O-N 2.82Å; S110-R112 PolarHBondContact OG-N 3.03Å; S110-S113 PolarHBondContact OG-N 3.22Å; S110-S113 PolarHBondContact OG-OG 3.36Å
111	K	80.2	Confident	90.8	Very high	161 Å²	161	80.1 Å²	80.1	70%	0.7	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-12.9	175.1	-77.7	-172	175.8	-179.4	0	114.9
112	R	81.5	Confident	90.8	Very high	190 Å²	190	81.9 Å²	81.9	72%	0.717	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-150.5	57.9	-171.6	-66.3	-171.3	177.2	-174.5	-0	112.4	L66 S110	L66-R112 HydrophobicContact CD2-CB 4.36Å; S110-R112 PolarHBondContact O-N 2.82Å; S110-R112 PolarHBondContact OG-N 3.03Å
113	S	85.6	Confident	90.6	Very high	27 Å²	27	84 Å²	84	19%	0.189	38%	0.38	C	S	.	.	B	Isolated β-bridge	trans	-75.5	134.7	179.7	-58.4	0	0	0	0	111.4	Y67 S110 R115	Y67-S113 PolarHBondContact N-O 2.81Å; Y67-S113 PolarHBondContact O-N 3.05Å; S110-S113 PolarHBondContact OG-N 3.22Å; S110-S113 PolarHBondContact OG-OG 3.36Å; S113-R115 PolarHBondContact O-N 3.28Å
114	L	86.1	Confident	90.5	Very high	120 Å²	120	81.2 Å²	81.2	63%	0.628	37%	0.367	S	S	*	.	S	Bend	trans	-79.1	1.8	-180	-72.3	169.3	0	0	0	114.6	K64 L66	K64-L114 HydrophobicContact CB-CD2 4.45Å; L66-L114 HydrophobicContact CD2-CD2 3.83Å
115	R	87.5	Confident	90.4	Very high	211 Å²	211	83.4 Å²	83.4	80%	0.796	39%	0.386	S	S	*	.	S	Bend	trans	-145.6	155.1	178.4	-63.6	-174.4	-178.2	-175.5	0.5	109.2	S113	S113-R115 PolarHBondContact O-N 3.28Å
116	Q	90.9	Very high	90.3	Very high	66 Å²	66	87.3 Å²	87.3	31%	0.308	41%	0.409	S	S	.	.			trans	-60.5	146.2	166.7	-162.7	161.5	-28.9	0	0	109.6	Y67 N118 H121 Q135	Y67-Q116 HydrophobicContact CD1-CB 3.9Å; Y67-Q116 HydrophobicContact CD1-CG 4.11Å; Y67-Q116 HydrophobicContact CE1-CB 3.54Å; Y67-Q116 HydrophobicContact CE1-CG 3.84Å; Y67-Q116 HydrophobicContact CE2-CB 4.45Å; Y67-Q116 HydrophobicContact CG-CB 4.48Å; Q116-N118 PolarHBondContact O-N 3.37Å; Q116-N118 PolarHBondContact O-OD1 2.73Å; Q116-H121 PolarHBondContact NE2-CD2 3.35Å; Q116-H121 PolarHBondContact NE2-CE1 3.04Å; Q116-H121 VanDerWaalsContact NE2-CE1 3.27Å; Q116-H121 PolarHBondContact NE2-ND1 3.06Å; Q116-H121 PolarHBondContact NE2-NE2 3.19Å; Q116-Q135 HydrophobicContact CG-CB 4.33Å; Q116-Q135 VanDerWaalsContact CG-OE1 3.32Å
117	N	92.2	Very high	90.4	Very high	47 Å²	47	87.5 Å²	87.5	25%	0.251	41%	0.411	S	S	.	.			trans	-94.4	86.7	172.3	-169.7	-51.2	0	0	0	108.5	W71 I109 Y119 Y120 H121	W71-N117 HydrophobicContact CH2-CB 4.21Å; W71-N117 HydrophobicContact CZ2-CB 4.47Å; I109-N117 HydrophobicContact CD1-CB 4.06Å; N117-Y119 PolarHBondContact O-N 2.73Å; N117-Y120 PolarHBondContact O-N 2.92Å; N117-Y120 WeakPolarHBondContact OD1-CD2 3.41Å; N117-Y120 PolarHBondContact OD1-N 3.06Å; N117-Y120 VanDerWaalsContact OD1-N 3.16Å; N117-H121 WeakPolarHBondContact O-CB 3.27Å; N117-H121 PolarHBondContact O-N 2.9Å; N117-H121 VanDerWaalsContact O-N 3.08Å
118	N	92.5	Very high	90.5	Very high	94 Å²	94	91.3 Å²	91.3	50%	0.503	43%	0.425	S	S	.	.	H	α-helix	trans	-55.4	-49.7	-178.5	-63.5	27.1	0	0	0	110.8	Q116 Y120 H121 D122	Q116-N118 PolarHBondContact O-N 3.37Å; Q116-N118 PolarHBondContact O-OD1 2.73Å; N118-Y120 VanDerWaalsContact C-N 3.33Å; N118-Y120 PolarHBondContact O-N 2.96Å; N118-Y120 VanDerWaalsContact O-N 3.11Å; N118-H121 CarbonylContact O-C 3.57Å; N118-H121 WeakPolarHBondContact O-CA 3.19Å; N118-H121 WeakPolarHBondContact O-CB 3.39Å; N118-H121 PolarHBondContact O-N 2.73Å; N118-D122 VanDerWaalsContact C-OD2 3.32Å; N118-D122 WeakPolarHBondContact O-CB 3.33Å; N118-D122 PolarHBondContact O-N 2.94Å
119	Y	93	Very high	90.7	Very high	147 Å²	147	85.4 Å²	85.4	58%	0.576	41%	0.406	S	S	*	.	H	α-helix	trans	-47.1	-48.5	-179.1	-179.8	-91.6	0	0	0	114.5	N117 Q123	N117-Y119 PolarHBondContact O-N 2.73Å; Y119-Q123 VanDerWaalsContact CZ-NE2 3.34Å; Y119-Q123 WeakPolarHBondContact O-CG 3.4Å; Y119-Q123 PolarHBondContact O-N 2.93Å; Y119-Q123 PolarHBondContact OH-NE2 3.14Å
120	Y	93.9	Very high	91.2	Very high	29 Å²	29	85.3 Å²	85.3	11%	0.114	41%	0.407	C	S	.	.	H	α-helix	trans	-81.7	-24	178.7	-73.8	-64.1	0	0	0	113.8	F91 H106 I109 N117 N118 Q123	F91-Y120 HydrophobicContact CE2-CD1 4.49Å; F91-Y120 WeakPolarHBondContact CZ-O 3.37Å; H106-Y120 AromaticContact CD2-CD1 3.99Å; H106-Y120 AromaticContact CD2-CE1 3.94Å; H106-Y120 AromaticContact CE1-CD1 3.9Å; H106-Y120 AromaticContact CE1-CE1 3.3Å; H106-Y120 WeakPolarHBondContact CE1-CE1 2.92Å; H106-Y120 AromaticContact CE1-CE2 3.53Å; H106-Y120 AromaticContact CE1-CZ 3.08Å; H106-Y120 PolarHBondContact CE1-OH 3.19Å; H106-Y120 VanDerWaalsContact CE1-OH 3.29Å; H106-Y120 AromaticContact ND1-CD2 3.83Å; H106-Y120 AromaticContact ND1-CE1 3.85Å; H106-Y120 AromaticContact ND1-CE2 3.62Å; H106-Y120 AromaticContact ND1-CZ 3.66Å; H106-Y120 AromaticContact NE2-CD1 3.92Å; H106-Y120 AromaticContact NE2-CE1 3.38Å; H106-Y120 WeakPolarHBondContact NE2-CE1 2.98Å; H106-Y120 AromaticContact NE2-CZ 3.67Å; I109-Y120 HydrophobicContact CD1-CD2 3.6Å; I109-Y120 HydrophobicContact CD1-CE2 4.38Å; I109-Y120 HydrophobicContact CD1-CG 4.11Å; I109-Y120 HydrophobicContact CG1-CD2 4.16Å; I109-Y120 HydrophobicContact CG1-CE2 4.49Å; N117-Y120 PolarHBondContact O-N 2.92Å; N117-Y120 WeakPolarHBondContact OD1-CD2 3.41Å; N117-Y120 PolarHBondContact OD1-N 3.06Å; N117-Y120 VanDerWaalsContact OD1-N 3.16Å; N118-Y120 VanDerWaalsContact C-N 3.33Å; N118-Y120 PolarHBondContact O-N 2.96Å; N118-Y120 VanDerWaalsContact O-N 3.11Å; Y120-Q123 VanDerWaalsContact CD1-OE1 3.25Å
121	H	95	Very high	91.7	Very high	30 Å²	30	85.6 Å²	85.6	14%	0.139	41%	0.405	C	S	.	.	H	α-helix	trans	-72.7	-49.4	173.2	-173.6	89.1	0	0	0	110.6	W71 Q116 N117 N118 Q123 L124 A125 L133	W71-H121 AromaticContact CD1-ND1 3.98Å; W71-H121 HydrophobicContact CZ2-CB 4.25Å; W71-H121 AromaticContact NE1-CG 3.91Å; W71-H121 AromaticContact NE1-ND1 3.36Å; W71-H121 PolarHBondContact NE1-ND1 2.77Å; Q116-H121 PolarHBondContact NE2-CD2 3.35Å; Q116-H121 PolarHBondContact NE2-CE1 3.04Å; Q116-H121 VanDerWaalsContact NE2-CE1 3.27Å; Q116-H121 PolarHBondContact NE2-ND1 3.06Å; Q116-H121 PolarHBondContact NE2-NE2 3.19Å; N117-H121 WeakPolarHBondContact O-CB 3.27Å; N117-H121 PolarHBondContact O-N 2.9Å; N117-H121 VanDerWaalsContact O-N 3.08Å; N118-H121 CarbonylContact O-C 3.57Å; N118-H121 WeakPolarHBondContact O-CA 3.19Å; N118-H121 WeakPolarHBondContact O-CB 3.39Å; N118-H121 PolarHBondContact O-N 2.73Å; H121-Q123 VanDerWaalsContact C-N 3.27Å; H121-Q123 PolarHBondContact O-N 2.67Å; H121-L124 PolarHBondContact O-N 2.73Å; H121-L124 VanDerWaalsContact O-N 3.11Å; H121-A125 WeakPolarHBondContact O-CB 3.48Å; H121-A125 PolarHBondContact O-N 3.47Å; H121-L133 VanDerWaalsContact O-CD1 3.3Å; H121-L133 WeakPolarHBondContact O-CD1 3.22Å
122	D	95	Very high	92.5	Very high	72 Å²	72	83 Å²	83	39%	0.385	39%	0.391	S	S	.	.	H	α-helix	trans	-61.8	-34.2	178.5	-52.9	-20.1	0	0	0	111.2	N118 L124 A125 N126	N118-D122 VanDerWaalsContact C-OD2 3.32Å; N118-D122 WeakPolarHBondContact O-CB 3.33Å; N118-D122 PolarHBondContact O-N 2.94Å; D122-L124 PolarHBondContact O-N 2.79Å; D122-A125 PolarHBondContact O-N 3.14Å; D122-N126 PolarHBondContact O-N 2.91Å; D122-N126 VanDerWaalsContact O-N 3.14Å; D122-N126 PolarHBondContact O-ND2 2.76Å
123	Q	94.1	Very high	93.2	Very high	52 Å²	52	75.1 Å²	75.1	24%	0.243	36%	0.363	C	S	.	.	H	α-helix	trans	-59.5	-42.7	172.8	-86.8	-179.5	-16.7	0	0	113.4	Y89 Y119 Y120 H121	Y89-Q123 HydrophobicContact CD1-CB 3.88Å; Y89-Q123 HydrophobicContact CD1-CG 4.38Å; Y89-Q123 HydrophobicContact CE1-CB 4.29Å; Y89-Q123 VanDerWaalsContact CE1-O 3.23Å; Y89-Q123 WeakPolarHBondContact CE1-O 3.43Å; Y119-Q123 VanDerWaalsContact CZ-NE2 3.34Å; Y119-Q123 WeakPolarHBondContact O-CG 3.4Å; Y119-Q123 PolarHBondContact O-N 2.93Å; Y119-Q123 PolarHBondContact OH-NE2 3.14Å; Y120-Q123 VanDerWaalsContact CD1-OE1 3.25Å; H121-Q123 VanDerWaalsContact C-N 3.27Å; H121-Q123 PolarHBondContact O-N 2.67Å
124	L	95.5	Very high	93.6	Very high	0 Å²	0	77 Å²	77	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-75.9	-37	174.9	-70.3	174.3	0	0	0	111.9	W71 V73 I85 Y89 F91 F104 H121 D122 N126 D127 V130 L133	W71-L124 HydrophobicContact CG-CD1 4.24Å; V73-L124 HydrophobicContact CG2-CD1 3.99Å; I85-L124 HydrophobicContact CG2-CD2 3.79Å; Y89-L124 HydrophobicContact CD2-CD2 3.92Å; Y89-L124 HydrophobicContact CG-CD2 4.25Å; F91-L124 HydrophobicContact CD1-CD1 4.32Å; F91-L124 HydrophobicContact CD2-CD1 4.26Å; F91-L124 HydrophobicContact CD2-CD2 4.15Å; F91-L124 HydrophobicContact CD2-CG 4.31Å; F91-L124 HydrophobicContact CE1-CD1 3.72Å; F91-L124 HydrophobicContact CE2-CD1 3.68Å; F91-L124 HydrophobicContact CE2-CD2 3.97Å; F91-L124 HydrophobicContact CE2-CG 3.65Å; F91-L124 HydrophobicContact CZ-CD1 3.36Å; F91-L124 HydrophobicContact CZ-CG 3.8Å; F104-L124 HydrophobicContact CD2-CD1 4.06Å; F104-L124 HydrophobicContact CD2-CD2 4.06Å; F104-L124 HydrophobicContact CE2-CD2 3.84Å; H121-L124 PolarHBondContact O-N 2.73Å; H121-L124 VanDerWaalsContact O-N 3.11Å; D122-L124 PolarHBondContact O-N 2.79Å; L124-N126 PolarHBondContact O-N 2.87Å; L124-D127 PolarHBondContact O-N 2.78Å; L124-V130 WeakPolarHBondContact O-CB 3.45Å; L124-V130 WeakPolarHBondContact O-CG2 3.38Å; L124-L133 HydrophobicContact CB-CD1 3.55Å; L124-L133 HydrophobicContact CD1-CD1 4.4Å
125	A	94.9	Very high	94.1	Very high	47 Å²	47	71.4 Å²	71.4	39%	0.388	34%	0.34	S	S	.	.	H	α-helix	trans	-65.5	-21.5	-178.6	0	0	0	0	0	113.9	H121 D122 L133	H121-A125 WeakPolarHBondContact O-CB 3.48Å; H121-A125 PolarHBondContact O-N 3.47Å; D122-A125 PolarHBondContact O-N 3.14Å; A125-L133 HydrophobicContact CB-CD1 4.21Å; A125-L133 HydrophobicContact CB-CD2 3.89Å
126	N	94	Very high	94.5	Very high	134 Å²	134	63.9 Å²	63.9	72%	0.717	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	8.7	177.6	-73	-66.9	0	0	0	113.7	D122 L124	D122-N126 PolarHBondContact O-N 2.91Å; D122-N126 VanDerWaalsContact O-N 3.14Å; D122-N126 PolarHBondContact O-ND2 2.76Å; L124-N126 PolarHBondContact O-N 2.87Å
127	D	95.6	Very high	94.5	Very high	15 Å²	15	62.2 Å²	62.2	8%	0.08	31%	0.308	C	S	.	.			trans	-92.3	125.9	171.3	-167.1	-63.3	0	0	0	111	K88 Y89 L124 Q129 V130	K88-D127 IonicContact NZ-OD2 2.67Å; K88-D127 PolarHBondContact NZ-OD2 2.82Å; Y89-D127 HydrophobicContact CE2-CB 3.92Å; Y89-D127 WeakPolarHBondContact CE2-OD2 3.46Å; Y89-D127 PolarHBondContact OH-OD2 2.83Å; L124-D127 PolarHBondContact O-N 2.78Å; D127-Q129 PolarHBondContact O-N 3.02Å; D127-Q129 WeakPolarHBondContact OD1-CB 3.37Å; D127-Q129 PolarHBondContact OD1-N 2.58Å; D127-V130 HydrophobicContact CB-CG2 4.06Å; D127-V130 PolarHBondContact O-N 3.06Å
128	E	94.4	Very high	94.3	Very high	185 Å²	185	62.1 Å²	62.1	86%	0.864	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-22.2	-176.6	-59.6	180	175.4	0	0	114.5
129	Q	94.7	Very high	93.9	Very high	85 Å²	85	63.3 Å²	63.3	40%	0.397	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-19.5	177.3	-65.9	-176.7	-8.9	0	0	112.9	I75 K76 I85 D127 V131	I75-Q129 WeakPolarHBondContact CA-O 3.4Å; I75-Q129 HydrophobicContact CG2-CB 4.4Å; K76-Q129 PolarHBondContact N-O 3.31Å; I85-Q129 HydrophobicContact CD1-CB 3.58Å; D127-Q129 PolarHBondContact O-N 3.02Å; D127-Q129 WeakPolarHBondContact OD1-CB 3.37Å; D127-Q129 PolarHBondContact OD1-N 2.58Å; Q129-V131 PolarHBondContact O-N 3.09Å
130	V	95.4	Very high	93.3	Very high	17 Å²	17	61.2 Å²	61.2	10%	0.103	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	117.4	176.9	175.5	0	0	0	0	109.6	V73 E74 I75 I85 L124 D127 L133	V73-V130 HydrophobicContact CG1-CB 4.36Å; V73-V130 HydrophobicContact CG1-CG1 3.68Å; V73-V130 HydrophobicContact CG1-CG2 3.79Å; E74-V130 WeakPolarHBondContact O-CA 3.46Å; I75-V130 HydrophobicContact CG1-CG2 4.3Å; I85-V130 HydrophobicContact CD1-CG2 4.18Å; I85-V130 HydrophobicContact CG2-CG2 4.24Å; L124-V130 WeakPolarHBondContact O-CB 3.45Å; L124-V130 WeakPolarHBondContact O-CG2 3.38Å; D127-V130 HydrophobicContact CB-CG2 4.06Å; D127-V130 PolarHBondContact O-N 3.06Å; V130-L133 HydrophobicContact CG1-CB 4.37Å; V130-L133 HydrophobicContact CG1-CD2 4.08Å
131	V	94.6	Very high	92.3	Very high	68 Å²	68	69.9 Å²	69.9	41%	0.412	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-39.8	179.7	-170.3	0	0	0	0	111.1	E74 K76 Q129	E74-V131 HydrophobicContact CB-CB 4.16Å; E74-V131 HydrophobicContact CG-CB 3.97Å; E74-V131 HydrophobicContact CG-CG2 4.29Å; E74-V131 PolarHBondContact O-N 3.29Å; K76-V131 HydrophobicContact CD-CG2 3.89Å; K76-V131 HydrophobicContact CG-CG2 3.68Å; Q129-V131 PolarHBondContact O-N 3.09Å
132	W	95.9	Very high	90.9	Very high	107 Å²	107	74.4 Å²	74.4	41%	0.405	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	154.3	-176.2	172.7	87.2	0	0	0	110.1	A72 V73 E74 I101 E134	A72-W132 HydrophobicContact CB-CH2 4.12Å; A72-W132 HydrophobicContact CB-CZ3 3.76Å; V73-W132 CarbonylContact C-O 3.56Å; V73-W132 WeakPolarHBondContact CA-O 3.29Å; E74-W132 HydrophobicContact CB-CB 4.02Å; E74-W132 HydrophobicContact CB-CE3 4.38Å; E74-W132 PolarHBondContact N-O 3.41Å; I101-W132 HydrophobicContact CG2-CZ3 4.35Å; W132-E134 HydrophobicContact CH2-CB 3.57Å; W132-E134 HydrophobicContact CZ2-CB 3.48Å; W132-E134 VanDerWaalsContact CZ2-CB 3.48Å; W132-E134 HydrophobicContact CZ3-CB 4.5Å
133	L	96.4	Very high	89.2	Confident	24 Å²	24	78.5 Å²	78.5	13%	0.126	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	144.6	174.2	67.4	168.6	0	0	0	112.6	A72 V73 H121 L124 A125 V130	A72-L133 CarbonylContact O-C 3.56Å; A72-L133 VanDerWaalsContact O-CA 3.24Å; A72-L133 WeakPolarHBondContact O-CA 3.25Å; V73-L133 HydrophobicContact CG1-CB 4.26Å; V73-L133 HydrophobicContact CG2-CB 4.46Å; H121-L133 VanDerWaalsContact O-CD1 3.3Å; H121-L133 WeakPolarHBondContact O-CD1 3.22Å; L124-L133 HydrophobicContact CB-CD1 3.55Å; L124-L133 HydrophobicContact CD1-CD1 4.4Å; A125-L133 HydrophobicContact CB-CD1 4.21Å; A125-L133 HydrophobicContact CB-CD2 3.89Å; V130-L133 HydrophobicContact CG1-CB 4.37Å; V130-L133 HydrophobicContact CG1-CD2 4.08Å
134	E	94.9	Very high	87.3	Confident	68 Å²	68	87.7 Å²	87.7	32%	0.318	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	124.1	168.5	-179.4	-170.7	168	0	0	109.7	W71 A72 W132 Q136 K139	W71-E134 WeakPolarHBondContact CA-O 3.38Å; A72-E134 PolarHBondContact N-O 2.74Å; A72-E134 PolarHBondContact O-N 3.39Å; W132-E134 HydrophobicContact CH2-CB 3.57Å; W132-E134 HydrophobicContact CZ2-CB 3.48Å; W132-E134 VanDerWaalsContact CZ2-CB 3.48Å; W132-E134 HydrophobicContact CZ3-CB 4.5Å; E134-Q136 PolarHBondContact O-N 3.31Å; E134-Q136 PolarHBondContact O-NE2 3.06Å; E134-K139 IonicContact OE1-NZ 3.34Å
135	Q	95.7	Very high	85.3	Confident	2 Å²	2	93.1 Å²	93.1	1%	0.009	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	114.6	164.4	-175.7	-179.3	5.3	0	0	108.6	Y67 T68 W71 Q116 V137	Y67-Q135 HydrophobicContact CD1-CB 4.44Å; Y67-Q135 HydrophobicContact CD1-CG 4.31Å; T68-Q135 PolarHBondContact O-NE2 2.77Å; W71-Q135 HydrophobicContact CD2-CB 4.01Å; W71-Q135 HydrophobicContact CD2-CG 3.94Å; W71-Q135 HydrophobicContact CE3-CG 3.99Å; W71-Q135 HydrophobicContact CG-CB 4.44Å; W71-Q135 HydrophobicContact CH2-CB 4.29Å; W71-Q135 HydrophobicContact CH2-CG 3.57Å; W71-Q135 VanDerWaalsContact CH2-NE2 3.29Å; W71-Q135 HydrophobicContact CZ2-CB 3.77Å; W71-Q135 VanDerWaalsContact CZ2-CD 3.44Å; W71-Q135 HydrophobicContact CZ2-CG 3.58Å; W71-Q135 HydrophobicContact CZ3-CG 3.8Å; Q116-Q135 HydrophobicContact CG-CB 4.33Å; Q116-Q135 VanDerWaalsContact CG-OE1 3.32Å; Q135-V137 PolarHBondContact O-N 3.48Å
136	Q	95.2	Very high	83.4	Confident	53 Å²	53	95.8 Å²	95.8	25%	0.248	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	126.2	-168.5	-63.8	-59.6	-65.6	0	0	111.6	T68 Y70 E134	T68-Q136 WeakPolarHBondContact CB-O 3.17Å; T68-Q136 WeakPolarHBondContact CG2-O 3.09Å; T68-Q136 PolarHBondContact N-O 2.8Å; T68-Q136 PolarHBondContact OG1-O 3.02Å; Y70-Q136 WeakPolarHBondContact O-CB 3.49Å; Y70-Q136 PolarHBondContact O-N 3.42Å; E134-Q136 PolarHBondContact O-N 3.31Å; E134-Q136 PolarHBondContact O-NE2 3.06Å
137	V	92.1	Very high	81.8	Confident	30 Å²	30	96.2 Å²	96.2	18%	0.182	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	128	175.4	177.8	0	0	0	0	109.8	A65 Y67 Q135 K139	A65-V137 HydrophobicContact CB-CG1 3.79Å; A65-V137 HydrophobicContact CB-CG2 4.44Å; Y67-V137 HydrophobicContact CD1-CG2 3.76Å; Y67-V137 HydrophobicContact CE1-CG2 3.75Å; Y67-V137 HydrophobicContact CG-CG2 4.28Å; Q135-V137 PolarHBondContact O-N 3.48Å; V137-K139 WeakPolarHBondContact O-CD 3.39Å; V137-K139 WeakPolarHBondContact O-CE 3.34Å; V137-K139 PolarHBondContact O-N 2.85Å
138	A	88.4	Confident	80.4	Confident	46 Å²	46	97.4 Å²	97.4	38%	0.38	47%	0.469	S	S	.	.			trans	-62.7	100.1	175.4	0	0	0	0	0	110.3	L66 T68	L66-A138 HydrophobicContact CB-CB 4.23Å; L66-A138 WeakPolarHBondContact O-CB 3.36Å; L66-A138 PolarHBondContact O-N 2.91Å; T68-A138 HydrophobicContact CG2-CB 3.74Å
139	K	84.4	Confident	79.2	Confident	118 Å²	118	92.5 Å²	92.5	51%	0.513	45%	0.453	S	S	.	.			trans	-71.1	130.3	177.9	-41.9	-63	178.2	-179.4	0	108.6	E134 V137 R141	E134-K139 IonicContact OE1-NZ 3.34Å; V137-K139 WeakPolarHBondContact O-CD 3.39Å; V137-K139 WeakPolarHBondContact O-CE 3.34Å; V137-K139 PolarHBondContact O-N 2.85Å; K139-R141 PolarHBondContact O-N 2.64Å
140	V	79.4	Confident	78.7	Confident	103 Å²	103	89.4 Å²	89.4	62%	0.624	44%	0.44	S	S	*	.			trans	-67.3	124	171.8	179.4	0	0	0	0	108.3
141	R	73.3	Confident	78.5	Confident	211 Å²	211	91.8 Å²	91.8	80%	0.796	46%	0.458	S	S	*	.			trans	-130.6	127.5	174.2	-60.9	-64	176.7	100.3	-2.9	108.4	K139	K139-R141 PolarHBondContact O-N 2.64Å
142	V	66.2	Low	78.5	Confident	125 Å²	125	88.7 Å²	88.7	76%	0.758	44%	0.439	S	S	*	.			trans	-102.3	156.2	167.1	-66	0	0	0	0	108.5
143	K	58.2	Low	78.5	Confident	159 Å²	159	87.1 Å²	87.1	69%	0.691	44%	0.442	S	S	*	.			trans	-64.9	143.3	167.1	-67.5	-176.4	177.9	-179.7	0	108.9	D145	K143-D145 WeakPolarHBondContact CB-OD1 3.38Å; K143-D145 VanDerWaalsContact CB-OD2 3.24Å; K143-D145 WeakPolarHBondContact CB-OD2 3.35Å; K143-D145 VanDerWaalsContact CD-OD2 3.26Å; K143-D145 WeakPolarHBondContact CD-OD2 3.35Å; K143-D145 PolarHBondContact O-N 3.04Å
144	R	54.6	Low	78.5	Confident	244 Å²	244	88.2 Å²	88.2	92%	0.921	45%	0.446	S	S	*	.			trans	-93.6	60.4	170.5	-70.7	-173.4	-68.7	176.1	-0.7	108.9
145	D	54.1	Low	78.4	Confident	115 Å²	115	86.7 Å²	86.7	62%	0.615	44%	0.437	S	S	*	.			trans	-76.7	138.1	173.8	-56.9	-31.9	0	0	0	107.8	K143 H147	K143-D145 WeakPolarHBondContact CB-OD1 3.38Å; K143-D145 VanDerWaalsContact CB-OD2 3.24Å; K143-D145 WeakPolarHBondContact CB-OD2 3.35Å; K143-D145 VanDerWaalsContact CD-OD2 3.26Å; K143-D145 WeakPolarHBondContact CD-OD2 3.35Å; K143-D145 PolarHBondContact O-N 3.04Å; D145-H147 PolarHBondContact O-N 3.46Å
146	V	54.4	Low	78.2	Confident	103 Å²	103	91 Å²	91	62%	0.624	47%	0.466	S	S	*	.			trans	-73	94	176.4	-178.3	0	0	0	0	108.2	I148 A178	V146-I148 HydrophobicContact CG1-CG1 4.48Å; V146-I148 PolarHBondContact O-N 3.06Å; V146-I148 VanDerWaalsContact O-N 3.15Å; V146-A178 HydrophobicContact CB-CB 4Å; V146-A178 HydrophobicContact CG1-CB 3.81Å
147	H	59.1	Low	78.1	Confident	142 Å²	142	92.4 Å²	92.4	66%	0.657	47%	0.472	S	S	*	.			trans	-75.5	100.5	171.4	-176.8	68	0	0	0	108.9	D145 P149	D145-H147 PolarHBondContact O-N 3.46Å; H147-P149 VanDerWaalsContact O-CD 3.31Å; H147-P149 WeakPolarHBondContact O-CD 3.46Å
148	I	66.4	Low	78.3	Confident	40 Å²	40	91.1 Å²	91.1	21%	0.205	46%	0.464	C	S	.	.			trans	-72.6	114.8	158.6	-49.7	175.7	0	0	0	105.4	V146 V150 W177 A178	V146-I148 HydrophobicContact CG1-CG1 4.48Å; V146-I148 PolarHBondContact O-N 3.06Å; V146-I148 VanDerWaalsContact O-N 3.15Å; I148-V150 HydrophobicContact CG2-CG2 4.31Å; I148-V150 PolarHBondContact O-N 2.93Å; I148-W177 HydrophobicContact CD1-CB 3.34Å; I148-W177 HydrophobicContact CD1-CE3 4.33Å; I148-W177 HydrophobicContact CD1-CG 4.46Å; I148-A178 HydrophobicContact CD1-CB 4.18Å
149	P	69.9	Low	78.5	Confident	82 Å²	82	89 Å²	89	53%	0.532	45%	0.446	S	S	.	.			trans	-65.6	131.7	166.5	29.8	-32.4	0	0	0	107.9	H147 N249	H147-P149 VanDerWaalsContact O-CD 3.31Å; H147-P149 WeakPolarHBondContact O-CD 3.46Å; P149-N249 PolarHBondContact O-ND2 3.37Å; P149-N249 PolarHBondContact O-OD1 2.94Å; P149-N249 VanDerWaalsContact O-OD1 3.09Å
150	V	83.6	Confident	79	Confident	21 Å²	21	83.4 Å²	83.4	13%	0.127	42%	0.422	C	S	.	.			trans	-126.6	110.5	171.1	178.4	0	0	0	0	103.8	I148 D152 W155 N249 L255	I148-V150 HydrophobicContact CG2-CG2 4.31Å; I148-V150 PolarHBondContact O-N 2.93Å; V150-D152 VanDerWaalsContact C-N 3.26Å; V150-D152 HydrophobicContact CG1-CB 4.29Å; V150-D152 VanDerWaalsContact CG1-OD2 3.23Å; V150-D152 WeakPolarHBondContact CG1-OD2 3.4Å; V150-W155 HydrophobicContact CB-CB 4.45Å; V150-W155 HydrophobicContact CB-CD2 4.14Å; V150-W155 HydrophobicContact CB-CG 3.84Å; V150-W155 HydrophobicContact CG1-CB 3.71Å; V150-W155 HydrophobicContact CG1-CD2 3.88Å; V150-W155 HydrophobicContact CG1-CE3 4.43Å; V150-W155 HydrophobicContact CG1-CG 3.53Å; V150-W155 HydrophobicContact CG2-CD2 4.46Å; V150-N249 WeakPolarHBondContact CA-OD1 3.34Å; V150-L255 HydrophobicContact CG1-CD1 4.05Å; V150-L255 HydrophobicContact CG1-CD2 4.02Å; V150-L255 HydrophobicContact CG2-CD1 4.35Å
151	S	90.9	Very high	79.6	Confident	67 Å²	67	78.6 Å²	78.6	47%	0.469	39%	0.393	S	S	.	.			trans	-80.9	-6.5	-174.7	54.8	0	0	0	0	114	N249	S151-N249 PolarHBondContact N-OD1 2.93Å; S151-N249 VanDerWaalsContact OG-CA 3.29Å; S151-N249 WeakPolarHBondContact OG-CA 3.32Å; S151-N249 PolarHBondContact OG-OD1 3.15Å
152	D	94.7	Very high	80.3	Confident	3 Å²	3	69.9 Å²	69.9	2%	0.016	36%	0.362	C	S	.	.			trans	-82	134.6	-157.4	-47.5	-56.9	0	0	0	111.7	V150 K154 W155 N249 N250 S251 G254	V150-D152 VanDerWaalsContact C-N 3.26Å; V150-D152 HydrophobicContact CG1-CB 4.29Å; V150-D152 VanDerWaalsContact CG1-OD2 3.23Å; V150-D152 WeakPolarHBondContact CG1-OD2 3.4Å; D152-K154 VanDerWaalsContact C-N 3.33Å; D152-K154 PolarHBondContact O-N 2.79Å; D152-K154 VanDerWaalsContact O-N 3.13Å; D152-W155 VanDerWaalsContact O-CB 3.23Å; D152-W155 WeakPolarHBondContact O-CB 3.19Å; D152-W155 PolarHBondContact O-N 3.36Å; D152-N249 VanDerWaalsContact CG-N 3.27Å; D152-N249 WeakPolarHBondContact OD1-CA 3.48Å; D152-N249 PolarHBondContact OD1-N 2.84Å; D152-N249 VanDerWaalsContact OD1-N 3.09Å; D152-N249 WeakPolarHBondContact OD2-CA 3.38Å; D152-N249 PolarHBondContact OD2-N 2.83Å; D152-N250 PolarHBondContact OD1-N 2.84Å; D152-N250 PolarHBondContact OD1-OD1 2.87Å; D152-S251 PolarHBondContact OD1-N 3.49Å; D152-G254 WeakPolarHBondContact CB-O 3.37Å
153	P	96	Very high	81.1	Confident	74 Å²	74	67.5 Å²	67.5	48%	0.481	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-24.6	-154.2	22.6	-35.2	0	0	0	115.5	S251 V252	P153-S251 VanDerWaalsContact CD-C 3.5Å; P153-S251 WeakPolarHBondContact CD-O 3.12Å; P153-V252 WeakPolarHBondContact CD-O 3.13Å
154	K	96.2	Very high	81.1	Confident	46 Å²	46	61.1 Å²	61.1	20%	0.2	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-2.8	174.7	-56.3	-94.4	-160.2	172.7	0	113.7	D152 P156 Q157 M158 C253 I394 C402 D404	D152-K154 VanDerWaalsContact C-N 3.33Å; D152-K154 PolarHBondContact O-N 2.79Å; D152-K154 VanDerWaalsContact O-N 3.13Å; K154-P156 VanDerWaalsContact C-N 3.31Å; K154-Q157 VanDerWaalsContact C-OE1 3.32Å; K154-Q157 WeakPolarHBondContact O-CA 3.43Å; K154-Q157 WeakPolarHBondContact O-CB 3.31Å; K154-Q157 PolarHBondContact O-N 3Å; K154-Q157 PolarHBondContact O-OE1 2.84Å; K154-Q157 VanDerWaalsContact O-OE1 3.08Å; K154-M158 WeakPolarHBondContact O-CG 3.06Å; K154-M158 PolarHBondContact O-N 3.14Å; K154-C253 WeakPolarHBondContact CB-O 3.46Å; K154-C253 VanDerWaalsContact CG-O 3.26Å; K154-C253 WeakPolarHBondContact CG-O 3.47Å; K154-C253 PolarHBondContact N-O 3.44Å; K154-I394 HydrophobicContact CB-CD1 4.47Å; K154-I394 HydrophobicContact CB-CG2 3.69Å; K154-I394 HydrophobicContact CD-CG2 4.29Å; K154-I394 HydrophobicContact CG-CG2 4Å; K154-C402 VanDerWaalsContact CE-SG 3.56Å; K154-D404 IonicContact NZ-OD2 3.92Å; K154-D404 PolarHBondContact NZ-OD2 2.97Å
155	W	93.9	Very high	80.9	Confident	36 Å²	36	52.3 Å²	52.3	14%	0.136	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-50.1	-41.2	179.5	167.1	-119.5	0	0	0	114.1	V150 D152 Q157 M158 L161 N162 R174 W177 L255	V150-W155 HydrophobicContact CB-CB 4.45Å; V150-W155 HydrophobicContact CB-CD2 4.14Å; V150-W155 HydrophobicContact CB-CG 3.84Å; V150-W155 HydrophobicContact CG1-CB 3.71Å; V150-W155 HydrophobicContact CG1-CD2 3.88Å; V150-W155 HydrophobicContact CG1-CE3 4.43Å; V150-W155 HydrophobicContact CG1-CG 3.53Å; V150-W155 HydrophobicContact CG2-CD2 4.46Å; D152-W155 VanDerWaalsContact O-CB 3.23Å; D152-W155 WeakPolarHBondContact O-CB 3.19Å; D152-W155 PolarHBondContact O-N 3.36Å; W155-Q157 PolarHBondContact O-N 3.48Å; W155-M158 HydrophobicContact CE3-CB 4.17Å; W155-M158 HydrophobicContact CE3-SD 4.25Å; W155-M158 PolarHBondContact O-N 3.25Å; W155-L161 HydrophobicContact CH2-CB 4.19Å; W155-L161 HydrophobicContact CZ3-CB 3.73Å; W155-L161 HydrophobicContact CZ3-CD1 4.32Å; W155-N162 HydrophobicContact CE3-CB 4.48Å; W155-N162 HydrophobicContact CH2-CB 3.62Å; W155-N162 HydrophobicContact CZ2-CB 3.79Å; W155-N162 HydrophobicContact CZ3-CB 4Å; W155-N162 PolarHBondContact O-ND2 3.06Å; W155-R174 HydrophobicContact CH2-CG 4.01Å; W155-R174 HydrophobicContact CZ2-CG 4.39Å; W155-W177 HydrophobicContact CH2-CH2 4.09Å; W155-W177 AromaticContact CH2-CZ3 3.67Å; W155-W177 HydrophobicContact CH2-CZ3 3.67Å; W155-W177 HydrophobicContact CZ2-CZ3 4.46Å; W155-W177 AromaticContact CZ3-CH2 3.92Å; W155-W177 HydrophobicContact CZ3-CH2 3.92Å; W155-W177 AromaticContact CZ3-CZ3 3.94Å; W155-W177 HydrophobicContact CZ3-CZ3 3.94Å; W155-L255 HydrophobicContact CD2-CD2 4.34Å; W155-L255 HydrophobicContact CE3-CD2 3.51Å; W155-L255 HydrophobicContact CZ3-CD2 3.96Å
156	P	91.7	Very high	80.2	Confident	93 Å²	93	53.5 Å²	53.5	60%	0.604	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-59.2	-27.4	175.1	-24.4	34.2	0	0	0	114.4	K154 N162	K154-P156 VanDerWaalsContact C-N 3.31Å; P156-N162 VanDerWaalsContact C-ND2 3.29Å; P156-N162 PolarHBondContact O-ND2 3.3Å
157	Q	93.1	Very high	80.1	Confident	82 Å²	82	52.4 Å²	52.4	38%	0.383	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-89.1	-17	-177.6	-62.1	88.2	-39.7	0	0	112.9	K154 W155 W159 R391 I394	K154-Q157 VanDerWaalsContact C-OE1 3.32Å; K154-Q157 WeakPolarHBondContact O-CA 3.43Å; K154-Q157 WeakPolarHBondContact O-CB 3.31Å; K154-Q157 PolarHBondContact O-N 3Å; K154-Q157 PolarHBondContact O-OE1 2.84Å; K154-Q157 VanDerWaalsContact O-OE1 3.08Å; W155-Q157 PolarHBondContact O-N 3.48Å; Q157-W159 PolarHBondContact O-N 2.75Å; Q157-R391 PolarHBondContact O-NH1 2.65Å; Q157-I394 HydrophobicContact CB-CD1 3.38Å
158	M	95	Very high	80.5	Confident	4 Å²	4	46.5 Å²	46.5	2%	0.02	31%	0.306	C	S	.	.			trans	-72.5	68.4	-178.7	-65.2	-178.5	79.5	0	0	113.3	K154 W155 Y160 L161 N162 L255 I394	K154-M158 WeakPolarHBondContact O-CG 3.06Å; K154-M158 PolarHBondContact O-N 3.14Å; W155-M158 HydrophobicContact CE3-CB 4.17Å; W155-M158 HydrophobicContact CE3-SD 4.25Å; W155-M158 PolarHBondContact O-N 3.25Å; M158-Y160 VanDerWaalsContact C-N 3.32Å; M158-Y160 HydrophobicContact CB-CE1 4.33Å; M158-Y160 HydrophobicContact CE-CE2 4.04Å; M158-Y160 VanDerWaalsContact CE-OH 3.27Å; M158-Y160 WeakPolarHBondContact CE-OH 3.37Å; M158-Y160 PolarHBondContact O-N 2.87Å; M158-L161 HydrophobicContact CE-CD1 3.66Å; M158-L161 PolarHBondContact O-N 3.36Å; M158-N162 WeakPolarHBondContact O-CB 3.2Å; M158-N162 PolarHBondContact O-N 2.99Å; M158-N162 VanDerWaalsContact O-N 3.14Å; M158-N162 PolarHBondContact O-ND2 2.81Å; M158-L255 HydrophobicContact CE-CD2 4.29Å; M158-L255 VanDerWaalsContact CE-O 3.22Å; M158-L255 WeakPolarHBondContact CE-O 3.22Å; M158-L255 HydrophobicContact SD-CD2 3.82Å; M158-I394 HydrophobicContact CG-CB 4.14Å; M158-I394 HydrophobicContact CG-CD1 4.17Å; M158-I394 HydrophobicContact CG-CG2 4.27Å
159	W	92.9	Very high	80.9	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-61.7	-32.4	-168.1	57.5	-91.4	0	0	0	115	Q157 L161 R163 E364 Y383 S384 G392	Q157-W159 PolarHBondContact O-N 2.75Å; W159-L161 PolarHBondContact O-N 3.3Å; W159-R163 HydrophobicContact CB-CG 4.18Å; W159-R163 VanDerWaalsContact O-CG 3.25Å; W159-R163 WeakPolarHBondContact O-CG 3.4Å; W159-R163 PolarHBondContact O-N 2.82Å; W159-R163 PolarHBondContact O-NE 3.03Å; W159-E364 HydrophobicContact CD2-CG 4.05Å; W159-E364 HydrophobicContact CE3-CB 4.36Å; W159-E364 HydrophobicContact CE3-CG 3.87Å; W159-E364 VanDerWaalsContact CH2-CA 3.46Å; W159-E364 HydrophobicContact CH2-CB 3.78Å; W159-E364 HydrophobicContact CH2-CG 4.22Å; W159-E364 HydrophobicContact CZ2-CB 4.04Å; W159-E364 HydrophobicContact CZ2-CG 4.41Å; W159-E364 HydrophobicContact CZ3-CB 3.97Å; W159-E364 HydrophobicContact CZ3-CG 3.96Å; W159-Y383 HydrophobicContact CE3-CG 4.47Å; W159-Y383 AromaticContact CH2-CD1 3.78Å; W159-Y383 HydrophobicContact CH2-CD1 3.78Å; W159-Y383 AromaticContact CH2-CG 3.91Å; W159-Y383 HydrophobicContact CH2-CG 3.91Å; W159-Y383 AromaticContact CZ3-CD1 3.37Å; W159-Y383 HydrophobicContact CZ3-CD1 3.37Å; W159-Y383 HydrophobicContact CZ3-CD2 4.21Å; W159-Y383 AromaticContact CZ3-CE1 3.99Å; W159-Y383 HydrophobicContact CZ3-CE1 3.99Å; W159-Y383 AromaticContact CZ3-CG 3.5Å; W159-Y383 HydrophobicContact CZ3-CG 3.5Å; W159-Y383 VanDerWaalsContact CZ3-CG 3.5Å; W159-S384 WeakPolarHBondContact CH2-O 3.44Å; W159-S384 WeakPolarHBondContact CZ2-O 3.34Å; W159-G392 PolarHBondContact NE1-O 2.8Å
160	Y	94.6	Very high	81.9	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.008	29%	0.286	C	S	.	.	H	α-helix	trans	-69.2	-16.5	177.5	44.8	-80.1	0	0	0	113	M158 D170 M171 V393 I394 L415	M158-Y160 VanDerWaalsContact C-N 3.32Å; M158-Y160 HydrophobicContact CB-CE1 4.33Å; M158-Y160 HydrophobicContact CE-CE2 4.04Å; M158-Y160 VanDerWaalsContact CE-OH 3.27Å; M158-Y160 WeakPolarHBondContact CE-OH 3.37Å; M158-Y160 PolarHBondContact O-N 2.87Å; Y160-D170 WeakPolarHBondContact O-CA 3.46Å; Y160-D170 WeakPolarHBondContact O-CB 3.4Å; Y160-M171 HydrophobicContact CD2-CE 4.13Å; Y160-M171 PolarHBondContact O-N 2.94Å; Y160-V393 HydrophobicContact CD1-CG1 4.32Å; Y160-V393 HydrophobicContact CD2-CG1 4.31Å; Y160-V393 HydrophobicContact CE1-CB 4.48Å; Y160-V393 HydrophobicContact CE1-CG1 3.74Å; Y160-V393 HydrophobicContact CE2-CG1 3.67Å; Y160-V393 WeakPolarHBondContact OH-CG1 3.2Å; Y160-I394 WeakPolarHBondContact OH-CA 3.1Å; Y160-I394 WeakPolarHBondContact OH-CB 3.49Å; Y160-I394 PolarHBondContact OH-N 3.45Å; Y160-I394 PolarHBondContact OH-O 3.43Å; Y160-L415 HydrophobicContact CD2-CD1 4.25Å; Y160-L415 HydrophobicContact CD2-CD2 4Å; Y160-L415 HydrophobicContact CE2-CD2 3.94Å
161	L	93.8	Very high	82.4	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-111.8	-19	177.9	-51.6	-171.4	0	0	0	114.1	W155 M158 W159 M171 V173 R174 W177 I257	W155-L161 HydrophobicContact CH2-CB 4.19Å; W155-L161 HydrophobicContact CZ3-CB 3.73Å; W155-L161 HydrophobicContact CZ3-CD1 4.32Å; M158-L161 HydrophobicContact CE-CD1 3.66Å; M158-L161 PolarHBondContact O-N 3.36Å; W159-L161 PolarHBondContact O-N 3.3Å; L161-M171 HydrophobicContact CD2-CE 3.63Å; L161-V173 HydrophobicContact CB-CG2 3.95Å; L161-V173 HydrophobicContact CD2-CG1 4.35Å; L161-V173 HydrophobicContact CD2-CG2 4.03Å; L161-V173 HydrophobicContact CG-CG2 4.43Å; L161-R174 WeakPolarHBondContact O-CD 3.26Å; L161-R174 WeakPolarHBondContact O-CG 3.37Å; L161-W177 HydrophobicContact CD1-CH2 4.08Å; L161-W177 HydrophobicContact CD1-CZ2 4.4Å; L161-I257 HydrophobicContact CD1-CG1 4.26Å; L161-I257 HydrophobicContact CD2-CD1 3.78Å; L161-I257 HydrophobicContact CD2-CG1 3.61Å
162	N	87.8	Confident	82.5	Confident	29 Å²	29	41.8 Å²	41.8	16%	0.155	27%	0.27	C	S	.	.	H	α-helix	trans	-119.5	-17.2	-161.4	84.4	11.2	0	0	0	117.2	W155 P156 M158 G164 R174	W155-N162 HydrophobicContact CE3-CB 4.48Å; W155-N162 HydrophobicContact CH2-CB 3.62Å; W155-N162 HydrophobicContact CZ2-CB 3.79Å; W155-N162 HydrophobicContact CZ3-CB 4Å; W155-N162 PolarHBondContact O-ND2 3.06Å; P156-N162 VanDerWaalsContact C-ND2 3.29Å; P156-N162 PolarHBondContact O-ND2 3.3Å; M158-N162 WeakPolarHBondContact O-CB 3.2Å; M158-N162 PolarHBondContact O-N 2.99Å; M158-N162 VanDerWaalsContact O-N 3.14Å; M158-N162 PolarHBondContact O-ND2 2.81Å; N162-G164 VanDerWaalsContact C-N 3.26Å; N162-G164 WeakPolarHBondContact O-CA 3.38Å; N162-G164 PolarHBondContact O-N 2.9Å; N162-G164 VanDerWaalsContact O-N 3.16Å; N162-R174 PolarHBondContact O-NH1 3.49Å; N162-R174 VanDerWaalsContact O-NH1 3.09Å
163	R	82.7	Confident	82.4	Confident	74 Å²	74	41.6 Å²	41.6	28%	0.279	27%	0.269	S	S	.	.	S	Bend	trans	-60.6	-27.4	-168.3	-79.1	-172.5	-59.1	-177	9.6	114.8	W159 L169 D170 E364	W159-R163 HydrophobicContact CB-CG 4.18Å; W159-R163 VanDerWaalsContact O-CG 3.25Å; W159-R163 WeakPolarHBondContact O-CG 3.4Å; W159-R163 PolarHBondContact O-N 2.82Å; W159-R163 PolarHBondContact O-NE 3.03Å; R163-L169 VanDerWaalsContact CZ-O 3.22Å; R163-L169 PolarHBondContact NE-O 3.02Å; R163-L169 PolarHBondContact NH2-O 3Å; R163-D170 HydrophobicContact CB-CB 4.41Å; R163-D170 PolarHBondContact N-OD2 2.85Å; R163-E364 PolarHBondContact NH1-O 3.27Å; R163-E364 IonicContact NH1-OE1 3.48Å; R163-E364 PolarHBondContact NH2-O 3.16Å
164	G	57	Low	82.2	Confident	26 Å²	26	42.6 Å²	42.6	27%	0.268	26%	0.263	S	S	.	.			trans	89.6	133.9	139.3	0	0	0	0	0	119.3	N162 D170	N162-G164 VanDerWaalsContact C-N 3.26Å; N162-G164 WeakPolarHBondContact O-CA 3.38Å; N162-G164 PolarHBondContact O-N 2.9Å; N162-G164 VanDerWaalsContact O-N 3.16Å; G164-D170 WeakPolarHBondContact CA-OD2 3.41Å; G164-D170 PolarHBondContact N-OD2 3.49Å
165	G	50.4	Low	81.7	Confident	59 Å²	59	42.5 Å²	42.5	61%	0.608	27%	0.268	S	S	*	.	S	Bend	trans	76.2	-170.4	160.2	0	0	0	0	0	115.4	G167 G168	G165-G167 PolarHBondContact O-N 3.3Å; G165-G168 PolarHBondContact O-N 2.9Å
166	P	40.6	Very low	81.7	Confident	139 Å²	139	40.8 Å²	40.8	90%	0.903	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	103.6	-175.5	-23.4	35	0	0	0	112.3
167	G	52.5	Low	81.8	Confident	81 Å²	81	36.9 Å²	36.9	84%	0.835	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	98	5.9	-175.7	0	0	0	0	0	115.3	G165	G165-G167 PolarHBondContact O-N 3.3Å
168	G	65.9	Low	81.6	Confident	18 Å²	18	34.9 Å²	34.9	19%	0.186	23%	0.233	C	C	.	.			trans	-77.5	140.3	173.7	0	0	0	0	0	112.8	G165 D170	G165-G168 PolarHBondContact O-N 2.9Å; G168-D170 PolarHBondContact O-N 3.24Å
169	L	76.2	Confident	81.4	Confident	55 Å²	55	38.9 Å²	38.9	29%	0.288	25%	0.248	S	C	.	.			trans	-91.6	73.2	176.7	-67.1	-179.4	0	0	0	110.7	R163 Y383	R163-L169 VanDerWaalsContact CZ-O 3.22Å; R163-L169 PolarHBondContact NE-O 3.02Å; R163-L169 PolarHBondContact NH2-O 3Å; L169-Y383 WeakPolarHBondContact CB-OH 2.99Å; L169-Y383 PolarHBondContact O-OH 3.21Å
170	D	91.1	Very high	81.4	Confident	6 Å²	6	40.9 Å²	40.9	3%	0.032	27%	0.268	C	S	.	.	S	Bend	trans	-134.8	172.3	170	70.2	27.5	0	0	0	110.9	Y160 R163 G164 G168 N172 R444	Y160-D170 WeakPolarHBondContact O-CA 3.46Å; Y160-D170 WeakPolarHBondContact O-CB 3.4Å; R163-D170 HydrophobicContact CB-CB 4.41Å; R163-D170 PolarHBondContact N-OD2 2.85Å; G164-D170 WeakPolarHBondContact CA-OD2 3.41Å; G164-D170 PolarHBondContact N-OD2 3.49Å; G168-D170 PolarHBondContact O-N 3.24Å; D170-N172 PolarHBondContact O-N 2.86Å; D170-N172 VanDerWaalsContact OD1-CA 3.31Å; D170-N172 WeakPolarHBondContact OD1-CA 3.28Å; D170-N172 PolarHBondContact OD1-N 2.97Å; D170-R444 PolarHBondContact O-NH2 3.33Å
171	M	93.9	Very high	81.4	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	28%	0.279	C	S	.	.			trans	-81	15.4	179.9	-64.7	176.6	-59.5	0	0	114.2	Y160 L161 V173 I257 T382 Y383 L415 I419 L470 A473	Y160-M171 HydrophobicContact CD2-CE 4.13Å; Y160-M171 PolarHBondContact O-N 2.94Å; L161-M171 HydrophobicContact CD2-CE 3.63Å; M171-V173 HydrophobicContact CB-CG1 4.35Å; M171-V173 PolarHBondContact O-N 2.56Å; M171-I257 HydrophobicContact CE-CD1 3.66Å; M171-T382 HydrophobicContact SD-CG2 3.8Å; M171-Y383 HydrophobicContact CG-CD2 3.88Å; M171-Y383 HydrophobicContact CG-CE2 4.18Å; M171-Y383 HydrophobicContact SD-CD2 4.27Å; M171-L415 HydrophobicContact CE-CB 4.22Å; M171-L415 HydrophobicContact CE-CD1 4.24Å; M171-L415 HydrophobicContact CE-CD2 4.29Å; M171-L415 HydrophobicContact CE-CG 4.5Å; M171-I419 HydrophobicContact CB-CD1 4.08Å; M171-I419 HydrophobicContact CG-CD1 4.39Å; M171-I419 HydrophobicContact SD-CD1 3.94Å; M171-L470 HydrophobicContact CG-CD1 3.92Å; M171-L470 HydrophobicContact SD-CD1 4.46Å; M171-A473 WeakPolarHBondContact O-CB 3.5Å; M171-A473 PolarHBondContact O-N 1.88Å; M171-A473 VanDerWaalsContact O-N 3.07Å
172	N	92.4	Very high	81.5	Confident	49 Å²	49	43.7 Å²	43.7	26%	0.262	28%	0.279	S	S	.	.			trans	62.1	9.5	172	-153.5	-4.5	0	0	0	116.5	D170 R174 S175 D472 A474	D170-N172 PolarHBondContact O-N 2.86Å; D170-N172 VanDerWaalsContact OD1-CA 3.31Å; D170-N172 WeakPolarHBondContact OD1-CA 3.28Å; D170-N172 PolarHBondContact OD1-N 2.97Å; N172-R174 PolarHBondContact O-N 2.59Å; N172-S175 PolarHBondContact O-N 3.44Å; N172-S175 PolarHBondContact O-OG 3.06Å; N172-S175 PolarHBondContact OD1-OG 3.41Å; N172-D472 VanDerWaalsContact CB-OD1 3.3Å; N172-D472 WeakPolarHBondContact CB-OD1 3.43Å; N172-D472 VanDerWaalsContact ND2-CG 3.34Å; N172-D472 PolarHBondContact ND2-OD1 3.17Å; N172-D472 PolarHBondContact ND2-OD2 2.03Å; N172-A474 HydrophobicContact CB-CB 4.04Å; N172-A474 VanDerWaalsContact CG-CB 3.47Å; N172-A474 WeakPolarHBondContact ND2-CB 3.34Å
173	V	93.5	Very high	82	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-32.6	-176.1	-60.4	0	0	0	0	113.9	L161 M171 S175 V176 W177 I257 L422 A473	L161-V173 HydrophobicContact CB-CG2 3.95Å; L161-V173 HydrophobicContact CD2-CG1 4.35Å; L161-V173 HydrophobicContact CD2-CG2 4.03Å; L161-V173 HydrophobicContact CG-CG2 4.43Å; M171-V173 HydrophobicContact CB-CG1 4.35Å; M171-V173 PolarHBondContact O-N 2.56Å; V173-S175 PolarHBondContact O-N 2.73Å; V173-S175 VanDerWaalsContact O-N 3.14Å; V173-V176 WeakPolarHBondContact O-CA 3.36Å; V173-V176 VanDerWaalsContact O-CB 3.28Å; V173-V176 WeakPolarHBondContact O-CB 3.46Å; V173-V176 PolarHBondContact O-N 2.84Å; V173-W177 HydrophobicContact CB-CD2 4.39Å; V173-W177 HydrophobicContact CB-CZ2 3.95Å; V173-W177 HydrophobicContact CG2-CD2 4.3Å; V173-W177 HydrophobicContact CG2-CE3 4.38Å; V173-W177 HydrophobicContact CG2-CH2 3.62Å; V173-W177 HydrophobicContact CG2-CZ2 3.49Å; V173-W177 VanDerWaalsContact CG2-CZ2 3.49Å; V173-W177 HydrophobicContact CG2-CZ3 4.07Å; V173-W177 PolarHBondContact O-N 2.79Å; V173-I257 HydrophobicContact CG1-CD1 4.48Å; V173-I257 HydrophobicContact CG1-CG1 4.38Å; V173-I257 HydrophobicContact CG1-CG2 3.94Å; V173-L422 HydrophobicContact CB-CD1 4.38Å; V173-L422 HydrophobicContact CG1-CD1 4.19Å; V173-A473 HydrophobicContact CG1-CB 3.87Å
174	R	90.6	Very high	82.6	Confident	95 Å²	95	40.9 Å²	40.9	36%	0.358	27%	0.268	S	S	.	.	H	α-helix	trans	-59.7	-29.7	-176.2	-66.2	175	59.7	-172.4	-2.6	113.8	W155 L161 N162 N172 W177 A178	W155-R174 HydrophobicContact CH2-CG 4.01Å; W155-R174 HydrophobicContact CZ2-CG 4.39Å; L161-R174 WeakPolarHBondContact O-CD 3.26Å; L161-R174 WeakPolarHBondContact O-CG 3.37Å; N162-R174 PolarHBondContact O-NH1 3.49Å; N162-R174 VanDerWaalsContact O-NH1 3.09Å; N172-R174 PolarHBondContact O-N 2.59Å; R174-W177 HydrophobicContact CB-CE3 4.49Å; R174-W177 HydrophobicContact CG-CE3 4.09Å; R174-W177 HydrophobicContact CG-CZ3 4.01Å; R174-A178 VanDerWaalsContact O-CB 3.28Å; R174-A178 WeakPolarHBondContact O-CB 3.43Å; R174-A178 PolarHBondContact O-N 3.27Å
175	S	86.3	Confident	84.5	Confident	44 Å²	44	45.1 Å²	45.1	31%	0.308	29%	0.294	S	S	.	.	H	α-helix	trans	-85.3	-13.5	177.2	69.9	0	0	0	0	113.4	N172 V173 R179 A474	N172-S175 PolarHBondContact O-N 3.44Å; N172-S175 PolarHBondContact O-OG 3.06Å; N172-S175 PolarHBondContact OD1-OG 3.41Å; V173-S175 PolarHBondContact O-N 2.73Å; V173-S175 VanDerWaalsContact O-N 3.14Å; S175-R179 PolarHBondContact O-NE 2.82Å; S175-A474 WeakPolarHBondContact OG-CB 3.46Å
176	V	92.8	Very high	86.8	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-79.2	-52.6	169.6	-179.7	0	0	0	0	109.5	V173 A178 R179 G180 Y181 L422 A473 A474 V477	V173-V176 WeakPolarHBondContact O-CA 3.36Å; V173-V176 VanDerWaalsContact O-CB 3.28Å; V173-V176 WeakPolarHBondContact O-CB 3.46Å; V173-V176 PolarHBondContact O-N 2.84Å; V176-A178 PolarHBondContact O-N 2.8Å; V176-R179 WeakPolarHBondContact O-CB 3.25Å; V176-R179 PolarHBondContact O-N 3.4Å; V176-G180 PolarHBondContact O-N 3.11Å; V176-Y181 CarbonylContact C-O 3.53Å; V176-Y181 PolarHBondContact O-N 3.18Å; V176-L422 HydrophobicContact CB-CD1 4.34Å; V176-L422 HydrophobicContact CG1-CB 4.17Å; V176-L422 HydrophobicContact CG1-CD1 4.01Å; V176-L422 HydrophobicContact CG1-CD2 4.15Å; V176-L422 HydrophobicContact CG1-CG 4.35Å; V176-A473 VanDerWaalsContact CG2-C 3.41Å; V176-A473 HydrophobicContact CG2-CB 3.96Å; V176-A473 VanDerWaalsContact CG2-O 3.25Å; V176-A473 WeakPolarHBondContact CG2-O 3.49Å; V176-A474 HydrophobicContact CG2-CB 4.15Å; V176-V477 HydrophobicContact CG1-CB 4.42Å; V176-V477 HydrophobicContact CG1-CG1 4.42Å; V176-V477 HydrophobicContact CG1-CG2 3.84Å; V176-V477 HydrophobicContact CG2-CB 4.28Å; V176-V477 HydrophobicContact CG2-CG2 4.19Å
177	W	93.8	Very high	89.5	Confident	10 Å²	10	36 Å²	36	4%	0.038	22%	0.224	C	C	.	.	H	α-helix	trans	-55.3	-38.7	174.5	-55.5	-23.9	0	0	0	112.2	I148 W155 L161 V173 R174 R179 G180 Y181 L255 I257 Y259	I148-W177 HydrophobicContact CD1-CB 3.34Å; I148-W177 HydrophobicContact CD1-CE3 4.33Å; I148-W177 HydrophobicContact CD1-CG 4.46Å; W155-W177 HydrophobicContact CH2-CH2 4.09Å; W155-W177 AromaticContact CH2-CZ3 3.67Å; W155-W177 HydrophobicContact CH2-CZ3 3.67Å; W155-W177 HydrophobicContact CZ2-CZ3 4.46Å; W155-W177 AromaticContact CZ3-CH2 3.92Å; W155-W177 HydrophobicContact CZ3-CH2 3.92Å; W155-W177 AromaticContact CZ3-CZ3 3.94Å; W155-W177 HydrophobicContact CZ3-CZ3 3.94Å; L161-W177 HydrophobicContact CD1-CH2 4.08Å; L161-W177 HydrophobicContact CD1-CZ2 4.4Å; V173-W177 HydrophobicContact CB-CD2 4.39Å; V173-W177 HydrophobicContact CB-CZ2 3.95Å; V173-W177 HydrophobicContact CG2-CD2 4.3Å; V173-W177 HydrophobicContact CG2-CE3 4.38Å; V173-W177 HydrophobicContact CG2-CH2 3.62Å; V173-W177 HydrophobicContact CG2-CZ2 3.49Å; V173-W177 VanDerWaalsContact CG2-CZ2 3.49Å; V173-W177 HydrophobicContact CG2-CZ3 4.07Å; V173-W177 PolarHBondContact O-N 2.79Å; R174-W177 HydrophobicContact CB-CE3 4.49Å; R174-W177 HydrophobicContact CG-CE3 4.09Å; R174-W177 HydrophobicContact CG-CZ3 4.01Å; W177-R179 PolarHBondContact O-N 3.08Å; W177-R179 VanDerWaalsContact O-N 3.17Å; W177-G180 PolarHBondContact O-N 3.38Å; W177-Y181 WeakPolarHBondContact CA-O 3.33Å; W177-Y181 PolarHBondContact N-O 3.47Å; W177-L255 HydrophobicContact CH2-CD1 3.89Å; W177-L255 HydrophobicContact CH2-CD2 4.38Å; W177-L255 HydrophobicContact CH2-CG 4.21Å; W177-L255 HydrophobicContact CZ2-CD1 4.35Å; W177-L255 HydrophobicContact CZ3-CD1 4.2Å; W177-I257 PolarHBondContact NE1-O 3.07Å; W177-Y259 HydrophobicContact CB-CE1 4.47Å; W177-Y259 AromaticContact CD1-CE1 3.7Å; W177-Y259 AromaticContact CD2-CE1 3.87Å; W177-Y259 HydrophobicContact CD2-CE1 3.87Å; W177-Y259 AromaticContact CE2-CE1 3.78Å; W177-Y259 AromaticContact CG-CE1 3.82Å; W177-Y259 HydrophobicContact CG-CE1 3.82Å; W177-Y259 HydrophobicContact CZ2-CD1 4.35Å; W177-Y259 HydrophobicContact CZ2-CE1 4.39Å; W177-Y259 AromaticContact NE1-CE1 3.68Å
178	A	90.2	Very high	91.7	Very high	40 Å²	40	32.1 Å²	32.1	33%	0.331	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-15.7	178.2	0	0	0	0	0	114	V146 I148 R174 V176	V146-A178 HydrophobicContact CB-CB 4Å; V146-A178 HydrophobicContact CG1-CB 3.81Å; I148-A178 HydrophobicContact CD1-CB 4.18Å; R174-A178 VanDerWaalsContact O-CB 3.28Å; R174-A178 WeakPolarHBondContact O-CB 3.43Å; R174-A178 PolarHBondContact O-N 3.27Å; V176-A178 PolarHBondContact O-N 2.8Å
179	R	90.4	Very high	93.3	Very high	89 Å²	89	31.2 Å²	31.2	34%	0.336	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-1.7	173.1	-67.5	178.9	-77.9	173.8	-17.4	113	S175 V176 W177 Y181 A474 D478	S175-R179 PolarHBondContact O-NE 2.82Å; V176-R179 WeakPolarHBondContact O-CB 3.25Å; V176-R179 PolarHBondContact O-N 3.4Å; W177-R179 PolarHBondContact O-N 3.08Å; W177-R179 VanDerWaalsContact O-N 3.17Å; R179-Y181 HydrophobicContact CB-CD2 3.88Å; R179-Y181 HydrophobicContact CB-CE2 3.97Å; R179-A474 PolarHBondContact NH2-O 3.05Å; R179-D478 IonicContact CZ-OD1 2.77Å; R179-D478 IonicContact NH1-OD1 3.62Å; R179-D478 PolarHBondContact NH1-OD1 3.23Å; R179-D478 IonicContact NH2-OD1 3.82Å; R179-D478 PolarHBondContact NH2-OD1 2.88Å
180	G	91.9	Very high	94.4	Very high	42 Å²	42	28.8 Å²	28.8	43%	0.433	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.7	-5.6	177.9	0	0	0	0	0	115	V176 W177 Q184	V176-G180 PolarHBondContact O-N 3.11Å; W177-G180 PolarHBondContact O-N 3.38Å; G180-Q184 PolarHBondContact O-NE2 3.1Å; G180-Q184 PolarHBondContact O-OE1 3.29Å
181	Y	94.8	Very high	94.7	Very high	61 Å²	61	28.5 Å²	28.5	24%	0.239	16%	0.16	C	C	.	.			trans	-83.4	120.7	176.7	-54.2	-73	0	0	0	110.3	V176 W177 R179 A426 V477 L481	V176-Y181 CarbonylContact C-O 3.53Å; V176-Y181 PolarHBondContact O-N 3.18Å; W177-Y181 WeakPolarHBondContact CA-O 3.33Å; W177-Y181 PolarHBondContact N-O 3.47Å; R179-Y181 HydrophobicContact CB-CD2 3.88Å; R179-Y181 HydrophobicContact CB-CE2 3.97Å; Y181-A426 HydrophobicContact CD1-CB 3.88Å; Y181-A426 HydrophobicContact CE1-CB 3.91Å; Y181-A426 HydrophobicContact CG-CB 4.2Å; Y181-V477 HydrophobicContact CD2-CG1 3.99Å; Y181-V477 HydrophobicContact CE2-CG1 4.27Å; Y181-L481 HydrophobicContact CE2-CD1 4.24Å; Y181-L481 WeakPolarHBondContact OH-CD2 3.5Å
182	A	96.3	Very high	95	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.008	16%	0.161	C	C	.	.	S	Bend	trans	-144.8	21.2	-177.2	0	0	0	0	0	111.7	A258 Y259 R260 L422	A182-A258 CarbonylContact O-C 3.5Å; A182-A258 VanDerWaalsContact O-CA 3.31Å; A182-A258 WeakPolarHBondContact O-CA 3.45Å; A182-Y259 HydrophobicContact CB-CD1 4.2Å; A182-Y259 HydrophobicContact CB-CD2 4.39Å; A182-Y259 HydrophobicContact CB-CE1 3.71Å; A182-Y259 HydrophobicContact CB-CE2 3.94Å; A182-Y259 PolarHBondContact O-N 2.85Å; A182-R260 HydrophobicContact CB-CB 4.13Å; A182-R260 HydrophobicContact CB-CG 3.92Å; A182-R260 WeakPolarHBondContact O-CA 3.39Å; A182-R260 WeakPolarHBondContact O-CB 3.42Å; A182-R260 PolarHBondContact O-N 3.19Å; A182-L422 VanDerWaalsContact CA-CD2 3.45Å
183	G	97.9	Very high	95.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	94.2	3.3	-179.6	0	0	0	0	0	115.2	S185 V186 A261	G183-S185 PolarHBondContact O-N 3.49Å; G183-V186 WeakPolarHBondContact O-CB 3.26Å; G183-V186 PolarHBondContact O-N 3.42Å; G183-V186 VanDerWaalsContact O-N 3.09Å; G183-A261 WeakPolarHBondContact O-CA 3.27Å; G183-A261 WeakPolarHBondContact O-CB 3.22Å
184	Q	96	Very high	95.3	Very high	44 Å²	44	26.9 Å²	26.9	21%	0.206	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	137.6	-178	-61.4	93.1	-39.4	0	0	112.1	G180 V186 R260 S425	G180-Q184 PolarHBondContact O-NE2 3.1Å; G180-Q184 PolarHBondContact O-OE1 3.29Å; Q184-V186 PolarHBondContact O-N 2.7Å; Q184-R260 WeakPolarHBondContact CA-O 3.34Å; Q184-R260 HydrophobicContact CG-CB 3.89Å; Q184-S425 PolarHBondContact N-OG 3.46Å; Q184-S425 VanDerWaalsContact N-OG 3.09Å; Q184-S425 PolarHBondContact O-OG 3.02Å
185	S	96.1	Very high	95.6	Very high	115 Å²	115	22.4 Å²	22.4	80%	0.804	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.2	2.2	-179	-51.1	0	0	0	0	116.1	G183	G183-S185 PolarHBondContact O-N 3.49Å
186	V	98.8	Very high	96.2	Very high	5 Å²	5	20.3 Å²	20.3	3%	0.03	12%	0.121	C	C	.	.			trans	-96	145.9	174	-173	0	0	0	0	110.1	G183 Q184 R262 D290 V291 A421 L424	G183-V186 WeakPolarHBondContact O-CB 3.26Å; G183-V186 PolarHBondContact O-N 3.42Å; G183-V186 VanDerWaalsContact O-N 3.09Å; Q184-V186 PolarHBondContact O-N 2.7Å; V186-R262 PolarHBondContact O-N 2.97Å; V186-D290 WeakPolarHBondContact CA-OD2 3.32Å; V186-D290 HydrophobicContact CG1-CB 3.72Å; V186-V291 HydrophobicContact CG1-CG2 4.42Å; V186-A421 HydrophobicContact CB-CB 4.31Å; V186-A421 HydrophobicContact CG1-CB 3.89Å; V186-L424 HydrophobicContact CG1-CB 4.29Å; V186-L424 HydrophobicContact CG1-CD1 4.24Å; V186-L424 HydrophobicContact CG2-CB 3.83Å
187	V	98.9	Very high	96.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	129.7	173.9	-177.8	0	0	0	0	110.4	A210 R262 H288 I289 D290 V291	V187-A210 HydrophobicContact CG1-CB 3.51Å; V187-R262 HydrophobicContact CG2-CB 4.22Å; V187-R262 VanDerWaalsContact CG2-CZ 3.48Å; V187-H288 WeakPolarHBondContact CB-O 3.39Å; V187-H288 VanDerWaalsContact CG2-O 3.26Å; V187-H288 WeakPolarHBondContact CG2-O 3.38Å; V187-I289 HydrophobicContact CG1-CB 4.29Å; V187-I289 HydrophobicContact CG1-CG1 4.09Å; V187-I289 HydrophobicContact CG1-CG2 4.36Å; V187-D290 PolarHBondContact N-OD2 2.89Å; V187-D290 VanDerWaalsContact N-OD2 3.1Å; V187-D290 WeakPolarHBondContact O-CA 3.24Å; V187-D290 WeakPolarHBondContact O-CB 3.34Å; V187-D290 PolarHBondContact O-N 2.67Å; V187-V291 PolarHBondContact O-N 3.15Å
188	V	98.9	Very high	96.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	145	172.7	-171	0	0	0	0	109.3	V244 R262 I263 G264 V291 A417 A421	V188-V244 HydrophobicContact CB-CG1 3.88Å; V188-V244 HydrophobicContact CG1-CG1 3.87Å; V188-V244 HydrophobicContact CG1-CG2 4.29Å; V188-V244 HydrophobicContact CG2-CG1 3.72Å; V188-R262 PolarHBondContact N-O 2.93Å; V188-I263 HydrophobicContact CB-CD1 3.91Å; V188-I263 HydrophobicContact CG1-CD1 4.12Å; V188-I263 CarbonylContact O-C 3.49Å; V188-I263 WeakPolarHBondContact O-CA 3.47Å; V188-G264 PolarHBondContact O-N 3.42Å; V188-V291 CarbonylContact C-O 3.54Å; V188-V291 VanDerWaalsContact CA-O 3.27Å; V188-V291 WeakPolarHBondContact CA-O 3.24Å; V188-V291 HydrophobicContact CB-CB 4.43Å; V188-V291 HydrophobicContact CG1-CB 4.09Å; V188-V291 HydrophobicContact CG1-CG1 4.32Å; V188-V291 HydrophobicContact CG2-CB 4.08Å; V188-V291 HydrophobicContact CG2-CG2 4.41Å; V188-A417 HydrophobicContact CG1-CB 4.39Å; V188-A421 HydrophobicContact CG2-CB 3.86Å
189	T	98.9	Very high	97	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	150.5	167	-162.5	0	0	0	0	111.7	L191 A210 G264 I289 V291 Y292 S293	T189-L191 HydrophobicContact CG2-CD2 3.79Å; T189-L191 HydrophobicContact CG2-CG 4.47Å; T189-A210 WeakPolarHBondContact CB-O 3.47Å; T189-A210 PolarHBondContact OG1-O 3.45Å; T189-G264 WeakPolarHBondContact CA-O 3.11Å; T189-G264 PolarHBondContact OG1-O 2.7Å; T189-I289 HydrophobicContact CG2-CD1 3.85Å; T189-I289 HydrophobicContact CG2-CG2 3.78Å; T189-V291 PolarHBondContact N-O 3.22Å; T189-Y292 HydrophobicContact CG2-CD1 3.44Å; T189-Y292 VanDerWaalsContact CG2-CD1 3.44Å; T189-Y292 HydrophobicContact CG2-CE1 3.91Å; T189-Y292 HydrophobicContact CG2-CG 4.02Å; T189-S293 PolarHBondContact O-N 3.2Å
190	I	98.9	Very high	97.4	Very high	3 Å²	3	20.9 Å²	20.9	2%	0.015	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	114	179.1	-56.2	-56.4	0	0	0	108	D192 C240 A241 V244 I263 G264 G265 V266	I190-D192 HydrophobicContact CG2-CB 3.72Å; I190-C240 HydrophobicContact CD1-CB 4.14Å; I190-C240 HydrophobicContact CG1-CB 4.44Å; I190-C240 HydrophobicContact CG2-CB 3.74Å; I190-A241 HydrophobicContact CG1-CB 4.04Å; I190-V244 HydrophobicContact CD1-CG2 4.01Å; I190-I263 HydrophobicContact CD1-CD1 4.15Å; I190-I263 HydrophobicContact CG1-CD1 3.92Å; I190-G264 PolarHBondContact N-O 2.67Å; I190-G265 CarbonylContact O-C 3.34Å; I190-G265 WeakPolarHBondContact O-CA 3.17Å; I190-V266 PolarHBondContact O-N 2.96Å
191	L	98.5	Very high	97.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	98.6	-179.8	-53.4	-174.8	0	0	0	108.9	T189 V266 L282 Y292 S293 A294 W296	T189-L191 HydrophobicContact CG2-CD2 3.79Å; T189-L191 HydrophobicContact CG2-CG 4.47Å; L191-V266 HydrophobicContact CD2-CB 3.58Å; L191-V266 HydrophobicContact CD2-CG1 4.36Å; L191-V266 HydrophobicContact CD2-CG2 3.53Å; L191-L282 HydrophobicContact CD1-CD2 3.88Å; L191-L282 HydrophobicContact CD1-CG 4.45Å; L191-Y292 HydrophobicContact CD1-CD1 4.21Å; L191-Y292 HydrophobicContact CD2-CD1 4.23Å; L191-Y292 HydrophobicContact CG-CD1 4.49Å; L191-S293 PolarHBondContact N-O 2.87Å; L191-A294 HydrophobicContact CB-CB 4.36Å; L191-W296 HydrophobicContact CB-CZ2 4.47Å; L191-W296 PolarHBondContact O-NE1 3.37Å
192	D	98.4	Very high	97.9	Very high	3 Å²	3	16 Å²	16	2%	0.016	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	-155.5	-159.6	-145.6	-58.1	0	0	0	113.2	I190 H236 G237 V266 M268 L269	I190-D192 HydrophobicContact CG2-CB 3.72Å; D192-H236 VanDerWaalsContact CG-ND1 3.31Å; D192-H236 WeakPolarHBondContact OD1-CB 3.4Å; D192-H236 IonicContact OD1-CG 3.16Å; D192-H236 IonicContact OD1-ND1 3.22Å; D192-H236 PolarHBondContact OD1-ND1 3.01Å; D192-H236 VanDerWaalsContact OD1-ND1 3.09Å; D192-H236 IonicContact OD2-CE1 2.78Å; D192-H236 PolarHBondContact OD2-CE1 3.13Å; D192-H236 IonicContact OD2-CG 3.54Å; D192-H236 IonicContact OD2-ND1 3.28Å; D192-H236 PolarHBondContact OD2-ND1 2.9Å; D192-G237 PolarHBondContact OD1-N 3.42Å; D192-V266 PolarHBondContact N-O 2.95Å; D192-M268 PolarHBondContact O-N 3.1Å; D192-L269 PolarHBondContact O-N 2.83Å
193	D	96	Very high	98	Very high	10 Å²	10	21 Å²	21	5%	0.053	12%	0.118	C	C	.	.	S	Bend	trans	-79.6	-13.8	-179.2	63.8	9.8	0	0	0	115.9	N234 R235 H236 G237 R267 L269	D193-N234 HydrophobicContact CB-CB 4.32Å; D193-N234 VanDerWaalsContact CG-CA 3.49Å; D193-N234 WeakPolarHBondContact OD2-CA 3.48Å; D193-R235 PolarHBondContact OD2-N 2.82Å; D193-H236 PolarHBondContact OD1-N 2.95Å; D193-H236 VanDerWaalsContact OD1-N 3.14Å; D193-H236 WeakPolarHBondContact OD2-CA 3.15Å; D193-H236 WeakPolarHBondContact OD2-CB 3.38Å; D193-H236 PolarHBondContact OD2-N 3.13Å; D193-G237 PolarHBondContact OD1-N 2.81Å; D193-R267 WeakPolarHBondContact O-CG 3.17Å; D193-L269 HydrophobicContact CB-CB 4.33Å
194	G	96.5	Very high	97.9	Very high	3 Å²	3	26.5 Å²	26.5	3%	0.031	15%	0.148	C	C	.	.			trans	146.6	178.9	175.5	0	0	0	0	0	113.6	P221 G237 T238	G194-P221 CarbonylContact C-O 3.53Å; G194-P221 VanDerWaalsContact CA-O 3.27Å; G194-P221 WeakPolarHBondContact CA-O 2.68Å; G194-G237 CarbonylContact O-C 3.54Å; G194-G237 VanDerWaalsContact O-CA 3.31Å; G194-G237 WeakPolarHBondContact O-CA 3.38Å; G194-T238 PolarHBondContact O-N 2.99Å
195	L	98.2	Very high	98	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	15%	0.145	C	C	.	.			trans	-138.2	118.6	178.2	178.1	58.5	0	0	0	110.9	T197 L202 Y206 P221 P223 A241 G264	L195-T197 WeakPolarHBondContact O-CG2 3.31Å; L195-T197 PolarHBondContact O-N 3.17Å; L195-L202 HydrophobicContact CD1-CD1 3.7Å; L195-Y206 HydrophobicContact CD2-CD2 3.92Å; L195-Y206 HydrophobicContact CD2-CE2 4.02Å; L195-P221 HydrophobicContact CB-CG 4.43Å; L195-P221 PolarHBondContact N-O 3.43Å; L195-P223 VanDerWaalsContact O-CD 3.28Å; L195-P223 WeakPolarHBondContact O-CD 3.39Å; L195-A241 HydrophobicContact CD1-CB 3.4Å; L195-A241 VanDerWaalsContact CD1-CB 3.4Å; L195-G264 VanDerWaalsContact CD2-C 3.47Å
196	E	98.2	Very high	98.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.117	C	C	.	.			trans	-65.7	98.3	171	-177.5	179.9	-62.9	0	0	109.2	D198 H199 E222 P223 Y225 T238 L398 N399 H400	E196-D198 VanDerWaalsContact C-N 3.35Å; E196-D198 PolarHBondContact O-N 3.41Å; E196-H199 HydrophobicContact CB-CB 4.18Å; E196-H199 HydrophobicContact CG-CB 3.89Å; E196-H199 WeakPolarHBondContact O-CB 3.39Å; E196-H199 PolarHBondContact O-N 3.14Å; E196-H199 WeakPolarHBondContact OE2-CA 3.39Å; E196-H199 VanDerWaalsContact OE2-CB 3.27Å; E196-H199 WeakPolarHBondContact OE2-CB 3.49Å; E196-H199 IonicContact OE2-CD2 3.42Å; E196-H199 PolarHBondContact OE2-CD2 3.35Å; E196-H199 IonicContact OE2-CG 3.74Å; E196-E222 WeakPolarHBondContact CA-OE1 3.47Å; E196-P223 HydrophobicContact CB-CG 4.44Å; E196-Y225 VanDerWaalsContact CG-OH 3.3Å; E196-Y225 WeakPolarHBondContact CG-OH 3.49Å; E196-Y225 PolarHBondContact OE1-OH 3.37Å; E196-T238 HydrophobicContact CB-CG2 3.76Å; E196-T238 PolarHBondContact N-OG1 3.23Å; E196-L398 HydrophobicContact CB-CD2 4.17Å; E196-L398 VanDerWaalsContact OE1-CA 3.28Å; E196-L398 WeakPolarHBondContact OE1-CA 3.42Å; E196-N399 PolarHBondContact OE1-N 3.41Å; E196-H400 PolarHBondContact OE1-N 3.41Å; E196-H400 WeakPolarHBondContact OE2-CA 3.42Å; E196-H400 IonicContact OE2-CD2 2.7Å; E196-H400 PolarHBondContact OE2-CD2 3.01Å; E196-H400 IonicContact OE2-CG 3.51Å; E196-H400 PolarHBondContact OE2-N 3.21Å; E196-H400 IonicContact OE2-NE2 3.27Å
197	T	97.5	Very high	98.2	Very high	27 Å²	27	23 Å²	23	17%	0.166	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-27.4	-166.9	58	0	0	0	0	113.1	L195 Y206 P221 E222	L195-T197 WeakPolarHBondContact O-CG2 3.31Å; L195-T197 PolarHBondContact O-N 3.17Å; T197-Y206 HydrophobicContact CG2-CD2 4.31Å; T197-Y206 HydrophobicContact CG2-CE1 4.09Å; T197-Y206 HydrophobicContact CG2-CE2 3.67Å; T197-P221 HydrophobicContact CG2-CG 3.65Å; T197-E222 WeakPolarHBondContact CB-OE2 3.43Å; T197-E222 PolarHBondContact N-OE2 3.17Å; T197-E222 PolarHBondContact OG1-OE2 3.19Å
198	D	97.9	Very high	98.1	Very high	89 Å²	89	26.4 Å²	26.4	48%	0.476	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	4.8	177.5	81.4	-25.4	0	0	0	113.8	E196 H400	E196-D198 VanDerWaalsContact C-N 3.35Å; E196-D198 PolarHBondContact O-N 3.41Å; D198-H400 VanDerWaalsContact CG-NE2 3.3Å; D198-H400 IonicContact OD1-CD2 3.48Å; D198-H400 IonicContact OD1-CE1 3.11Å; D198-H400 IonicContact OD1-NE2 2.65Å; D198-H400 PolarHBondContact OD1-NE2 2.96Å; D198-H400 IonicContact OD2-NE2 2.83Å; D198-H400 PolarHBondContact OD2-NE2 3.39Å
199	H	98.4	Very high	98.1	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	17%	0.168	C	C	.	.			trans	-48.5	127.4	176.9	-172	-69.8	0	0	0	109.5	E196 D201 L202 K203 T396 D397 H400 T401	E196-H199 HydrophobicContact CB-CB 4.18Å; E196-H199 HydrophobicContact CG-CB 3.89Å; E196-H199 WeakPolarHBondContact O-CB 3.39Å; E196-H199 PolarHBondContact O-N 3.14Å; E196-H199 WeakPolarHBondContact OE2-CA 3.39Å; E196-H199 VanDerWaalsContact OE2-CB 3.27Å; E196-H199 WeakPolarHBondContact OE2-CB 3.49Å; E196-H199 IonicContact OE2-CD2 3.42Å; E196-H199 PolarHBondContact OE2-CD2 3.35Å; E196-H199 IonicContact OE2-CG 3.74Å; H199-D201 WeakPolarHBondContact CE1-CB 3.47Å; H199-D201 IonicContact CE1-OD2 2.7Å; H199-D201 WeakPolarHBondContact ND1-CB 3.24Å; H199-D201 PolarHBondContact ND1-N 2.8Å; H199-D201 PolarHBondContact O-N 2.77Å; H199-L202 HydrophobicContact CB-CB 4.02Å; H199-L202 HydrophobicContact CB-CD1 3.81Å; H199-L202 HydrophobicContact CB-CG 3.88Å; H199-L202 PolarHBondContact O-N 3.47Å; H199-K203 PolarHBondContact O-N 2.6Å; H199-T396 WeakPolarHBondContact CE1-CG2 3.36Å; H199-D397 PolarHBondContact NE2-N 3.35Å; H199-D397 PolarHBondContact NE2-O 3.09Å; H199-H400 VanDerWaalsContact NE2-C 3.29Å; H199-T401 WeakPolarHBondContact NE2-CA 3.4Å; H199-T401 PolarHBondContact NE2-N 2.88Å; H199-T401 PolarHBondContact NE2-O 2.83Å
200	P	98.2	Very high	98	Very high	34 Å²	34	32.9 Å²	32.9	22%	0.221	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-18.3	-170.6	22.3	-35.1	0	0	0	114.4	V252 H400	P200-V252 HydrophobicContact CB-CG1 4.2Å; P200-V252 HydrophobicContact CB-CG2 4.26Å; P200-V252 HydrophobicContact CG-CG1 3.97Å; P200-H400 HydrophobicContact CG-CB 4.21Å
201	D	98.1	Very high	98	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-11	178.7	-139.6	2.2	0	0	0	113.5	H199 A246 A247 N250 V252 C253 T396	H199-D201 WeakPolarHBondContact CE1-CB 3.47Å; H199-D201 IonicContact CE1-OD2 2.7Å; H199-D201 WeakPolarHBondContact ND1-CB 3.24Å; H199-D201 PolarHBondContact ND1-N 2.8Å; H199-D201 PolarHBondContact O-N 2.77Å; D201-A246 HydrophobicContact CB-CB 4.36Å; D201-A246 CarbonylContact O-C 3.58Å; D201-A246 WeakPolarHBondContact O-CA 3.33Å; D201-A247 PolarHBondContact O-N 3.24Å; D201-A247 PolarHBondContact OD1-N 3.42Å; D201-N250 PolarHBondContact OD1-ND2 2.76Å; D201-V252 HydrophobicContact CB-CB 4.37Å; D201-V252 HydrophobicContact CB-CG1 3.84Å; D201-C253 WeakPolarHBondContact OD2-CB 3.36Å; D201-T396 HydrophobicContact CB-CG2 3.68Å
202	L	98.7	Very high	98	Very high	1 Å²	1	34 Å²	34	1%	0.005	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-38.4	-177.3	-54.8	176.8	0	0	0	113.2	L195 H199 D204 N205 Y206 T238 A241 A246 T396	L195-L202 HydrophobicContact CD1-CD1 3.7Å; H199-L202 HydrophobicContact CB-CB 4.02Å; H199-L202 HydrophobicContact CB-CD1 3.81Å; H199-L202 HydrophobicContact CB-CG 3.88Å; H199-L202 PolarHBondContact O-N 3.47Å; L202-D204 PolarHBondContact O-N 2.78Å; L202-N205 CarbonylContact O-C 3.54Å; L202-N205 PolarHBondContact O-N 3.4Å; L202-Y206 PolarHBondContact O-N 2.91Å; L202-T238 HydrophobicContact CD1-CG2 4.16Å; L202-A241 HydrophobicContact CD1-CB 4.13Å; L202-A241 HydrophobicContact CD2-CB 4.31Å; L202-A246 HydrophobicContact CD2-CB 4.4Å; L202-T396 HydrophobicContact CD1-CG2 4.44Å; L202-T396 HydrophobicContact CD2-CG2 3.96Å; L202-T396 HydrophobicContact CG-CG2 4.07Å
203	K	98.2	Very high	98	Very high	104 Å²	104	34 Å²	34	45%	0.452	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	-32.1	-173.6	72.4	-170.9	178.6	-179	0	115.7	H199 N205	H199-K203 PolarHBondContact O-N 2.6Å; K203-N205 VanDerWaalsContact C-N 3.33Å
204	D	97.3	Very high	97.8	Very high	116 Å²	116	33.8 Å²	33.8	62%	0.62	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-20.4	-177.4	-71.3	-2	0	0	0	111.9	L202	L202-D204 PolarHBondContact O-N 2.78Å
205	N	98.5	Very high	97.5	Very high	26 Å²	26	35.4 Å²	35.4	14%	0.139	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108	-6.4	175.1	-76	-27.7	0	0	0	112.7	L202 K203 A245 Y259 A261 R262 I263	L202-N205 CarbonylContact O-C 3.54Å; L202-N205 PolarHBondContact O-N 3.4Å; K203-N205 VanDerWaalsContact C-N 3.33Å; N205-A245 PolarHBondContact ND2-O 2.97Å; N205-Y259 PolarHBondContact ND2-O 3.02Å; N205-A261 WeakPolarHBondContact CB-O 3.39Å; N205-R262 CarbonylContact O-C 3.59Å; N205-R262 VanDerWaalsContact O-CA 3.31Å; N205-R262 WeakPolarHBondContact O-CA 3.17Å; N205-I263 HydrophobicContact CB-CG2 4.15Å; N205-I263 PolarHBondContact O-N 3.1Å
206	Y	98.7	Very high	97.2	Very high	58 Å²	58	38.3 Å²	38.3	23%	0.227	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-60.7	138.4	-177.1	175.1	-116.6	0	0	0	112.5	L195 T197 L202 P208 S211 P221 I263	L195-Y206 HydrophobicContact CD2-CD2 3.92Å; L195-Y206 HydrophobicContact CD2-CE2 4.02Å; T197-Y206 HydrophobicContact CG2-CD2 4.31Å; T197-Y206 HydrophobicContact CG2-CE1 4.09Å; T197-Y206 HydrophobicContact CG2-CE2 3.67Å; L202-Y206 PolarHBondContact O-N 2.91Å; Y206-P208 HydrophobicContact CE1-CB 4.17Å; Y206-S211 VanDerWaalsContact CE2-OG 3.29Å; Y206-S211 WeakPolarHBondContact CE2-OG 3.13Å; Y206-P221 HydrophobicContact CE2-CG 4.35Å; Y206-I263 CarbonylContact C-O 3.54Å; Y206-I263 WeakPolarHBondContact CA-O 3.44Å
207	D	98.6	Very high	96.8	Very high	6 Å²	6	43 Å²	43	3%	0.032	23%	0.225	C	C	.	.			trans	-129.8	110.5	177.5	-170	-15.9	0	0	0	111.6	F209 A210 S211 R262 I263 H288	D207-F209 VanDerWaalsContact C-N 3.25Å; D207-F209 PolarHBondContact O-N 3.22Å; D207-F209 WeakPolarHBondContact OD1-CB 3.33Å; D207-F209 PolarHBondContact OD1-N 3.08Å; D207-A210 HydrophobicContact CB-CB 4Å; D207-A210 PolarHBondContact O-N 3.3Å; D207-A210 VanDerWaalsContact O-N 3.07Å; D207-S211 PolarHBondContact O-OG 2.8Å; D207-R262 HydrophobicContact CB-CB 3.97Å; D207-R262 WeakPolarHBondContact OD2-CD 3.45Å; D207-R262 IonicContact OD2-CZ 3.36Å; D207-R262 IonicContact OD2-NE 2.83Å; D207-R262 PolarHBondContact OD2-NE 3.23Å; D207-R262 IonicContact OD2-NH1 2.68Å; D207-R262 PolarHBondContact OD2-NH1 2.83Å; D207-R262 IonicContact OD2-NH2 3.52Å; D207-I263 PolarHBondContact N-O 3.34Å; D207-H288 IonicContact OD1-NE2 3.38Å; D207-H288 IonicContact OD2-CD2 4Å; D207-H288 IonicContact OD2-CE1 3.4Å; D207-H288 PolarHBondContact OD2-CE1 3Å; D207-H288 IonicContact OD2-NE2 2.8Å; D207-H288 PolarHBondContact OD2-NE2 2.61Å
208	P	98.3	Very high	96.7	Very high	72 Å²	72	44.9 Å²	44.9	47%	0.468	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-66.8	-25.7	178.3	28	-34.6	0	0	0	112.5	Y206 A210 S211	Y206-P208 HydrophobicContact CE1-CB 4.17Å; P208-A210 PolarHBondContact O-N 3.05Å; P208-S211 PolarHBondContact O-N 3.21Å; P208-S211 VanDerWaalsContact O-N 3.14Å
209	F	97.5	Very high	96.5	Very high	137 Å²	137	46.4 Å²	46.4	60%	0.601	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-75.3	-11.8	174.8	-64.1	-79.3	0	0	0	112.9	D207 Q285 H288	D207-F209 VanDerWaalsContact C-N 3.25Å; D207-F209 PolarHBondContact O-N 3.22Å; D207-F209 WeakPolarHBondContact OD1-CB 3.33Å; D207-F209 PolarHBondContact OD1-N 3.08Å; F209-Q285 WeakPolarHBondContact O-CG 3.32Å; F209-H288 WeakPolarHBondContact CB-NE2 3.5Å
210	A	98.5	Very high	96.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-94.4	4.8	170.3	0	0	0	0	0	112.7	V187 T189 D207 P208 I289	V187-A210 HydrophobicContact CG1-CB 3.51Å; T189-A210 WeakPolarHBondContact CB-O 3.47Å; T189-A210 PolarHBondContact OG1-O 3.45Å; D207-A210 HydrophobicContact CB-CB 4Å; D207-A210 PolarHBondContact O-N 3.3Å; D207-A210 VanDerWaalsContact O-N 3.07Å; P208-A210 PolarHBondContact O-N 3.05Å; A210-I289 HydrophobicContact CB-CD1 4.23Å; A210-I289 HydrophobicContact CB-CG1 4.12Å
211	S	98.7	Very high	96.3	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.007	25%	0.253	C	S	.	.			trans	-129.6	153.4	-166.4	-55.3	0	0	0	0	112.9	Y206 D207 P208 G264 G265 H284	Y206-S211 VanDerWaalsContact CE2-OG 3.29Å; Y206-S211 WeakPolarHBondContact CE2-OG 3.13Å; D207-S211 PolarHBondContact O-OG 2.8Å; P208-S211 PolarHBondContact O-N 3.21Å; P208-S211 VanDerWaalsContact O-N 3.14Å; S211-G264 WeakPolarHBondContact OG-CA 3.33Å; S211-G265 CarbonylContact C-O 3.53Å; S211-G265 WeakPolarHBondContact CA-O 3.11Å; S211-G265 VanDerWaalsContact CB-O 3.29Å; S211-G265 WeakPolarHBondContact CB-O 3.25Å; S211-G265 PolarHBondContact OG-N 3.27Å; S211-H284 WeakPolarHBondContact CA-NE2 3.26Å; S211-H284 PolarHBondContact N-NE2 2.85Å; S211-H284 PolarHBondContact O-CE1 2.98Å; S211-H284 VanDerWaalsContact O-CE1 3.32Å; S211-H284 PolarHBondContact O-NE2 3.34Å
212	Y	97.8	Very high	96.2	Very high	24 Å²	24	50.5 Å²	50.5	9%	0.094	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.5	155.5	174.2	-165.7	-103.2	0	0	0	111.3	V214 N217 D218 D219 G265 V266 R267 R280 H284	Y212-V214 HydrophobicContact CD1-CG2 3.74Å; Y212-V214 HydrophobicContact CE1-CG2 4.35Å; Y212-N217 WeakPolarHBondContact OH-CA 3.29Å; Y212-N217 PolarHBondContact OH-O 3.44Å; Y212-N217 VanDerWaalsContact OH-O 3.05Å; Y212-D218 VanDerWaalsContact CD2-O 3.25Å; Y212-D218 WeakPolarHBondContact CD2-O 3.49Å; Y212-D218 VanDerWaalsContact CE2-C 3.5Å; Y212-D218 WeakPolarHBondContact CE2-O 3.22Å; Y212-D218 PolarHBondContact OH-N 3.12Å; Y212-D219 WeakPolarHBondContact CD2-OD1 3.19Å; Y212-D219 VanDerWaalsContact CE2-OD1 3.29Å; Y212-D219 WeakPolarHBondContact CE2-OD1 3.07Å; Y212-G265 PolarHBondContact N-O 3.28Å; Y212-G265 VanDerWaalsContact N-O 3.09Å; Y212-V266 CarbonylContact O-C 3.56Å; Y212-V266 VanDerWaalsContact O-CA 3.25Å; Y212-V266 WeakPolarHBondContact O-CA 3.34Å; Y212-R267 PolarHBondContact O-N 3.2Å; Y212-R280 VanDerWaalsContact CE1-CZ 3.41Å; Y212-R280 PolarHBondContact OH-NH2 3.31Å; Y212-H284 AromaticContact CD2-CE1 3.82Å; Y212-H284 AromaticContact CG-CE1 3.91Å; Y212-H284 PolarHBondContact N-NE2 2.8Å
213	D	97.5	Very high	96.1	Very high	4 Å²	4	50.6 Å²	50.6	2%	0.021	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	102.9	169.4	-169.6	-17.5	0	0	0	111.2	N215 S216 N217 D218 N220 R267	D213-N215 WeakPolarHBondContact OD1-CA 3.22Å; D213-N215 WeakPolarHBondContact OD1-CB 3.24Å; D213-N215 PolarHBondContact OD1-N 2.03Å; D213-S216 VanDerWaalsContact CG-CB 3.45Å; D213-S216 VanDerWaalsContact CG-OG 3.24Å; D213-S216 PolarHBondContact OD1-N 3.11Å; D213-S216 PolarHBondContact OD1-OG 3.07Å; D213-S216 WeakPolarHBondContact OD2-CB 3.36Å; D213-S216 PolarHBondContact OD2-OG 3.13Å; D213-N217 WeakPolarHBondContact O-CA 3.15Å; D213-N217 PolarHBondContact O-N 3.05Å; D213-D218 WeakPolarHBondContact CA-O 3.02Å; D213-D218 WeakPolarHBondContact CB-O 3.48Å; D213-D218 PolarHBondContact N-O 3.24Å; D213-D218 PolarHBondContact O-N 2.96Å; D213-N220 WeakPolarHBondContact CB-O 3.42Å; D213-R267 HydrophobicContact CB-CB 4.36Å; D213-R267 VanDerWaalsContact CG-NH1 3.28Å; D213-R267 IonicContact OD1-NH1 3.27Å; D213-R267 PolarHBondContact OD1-NH1 3.25Å; D213-R267 VanDerWaalsContact OD1-NH1 3.14Å; D213-R267 IonicContact OD2-CZ 2.66Å; D213-R267 IonicContact OD2-NH1 3.56Å; D213-R267 PolarHBondContact OD2-NH1 3.47Å
214	V	93.6	Very high	95.7	Very high	5 Å²	5	51.2 Å²	51.2	3%	0.03	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-23.8	178.1	-178.7	0	0	0	0	111.5	Y212 V266 R267 M268 M277	Y212-V214 HydrophobicContact CD1-CG2 3.74Å; Y212-V214 HydrophobicContact CE1-CG2 4.35Å; V214-V266 HydrophobicContact CG2-CG1 3.57Å; V214-R267 PolarHBondContact N-O 3.41Å; V214-M268 HydrophobicContact CB-CB 4.11Å; V214-M277 HydrophobicContact CG1-CB 3.6Å; V214-M277 HydrophobicContact CG1-CE 4.26Å; V214-M277 HydrophobicContact CG1-CG 3.7Å
215	N	90.2	Very high	95.2	Very high	37 Å²	37	50 Å²	50	20%	0.198	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-41.1	173.9	-61.4	120.9	0	0	0	111.3	D213 R267 M268 D270 M277	D213-N215 WeakPolarHBondContact OD1-CA 3.22Å; D213-N215 WeakPolarHBondContact OD1-CB 3.24Å; D213-N215 PolarHBondContact OD1-N 2.03Å; N215-R267 PolarHBondContact N-O 3.24Å; N215-R267 WeakPolarHBondContact OD1-CG 3.25Å; N215-R267 PolarHBondContact OD1-O 2.88Å; N215-M268 PolarHBondContact ND2-O 2.81Å; N215-M268 WeakPolarHBondContact OD1-CA 3.3Å; N215-M268 PolarHBondContact OD1-N 2.87Å; N215-M268 PolarHBondContact OD1-O 3.01Å; N215-D270 PolarHBondContact OD1-N 2.66Å; N215-D270 VanDerWaalsContact OD1-N 3.16Å; N215-M277 WeakPolarHBondContact ND2-CE 3.37Å
216	S	90.8	Very high	93.8	Very high	62 Å²	62	52.4 Å²	52.4	43%	0.434	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-23	-178.2	-48.5	0	0	0	0	114.2	D213 D218 R267	D213-S216 VanDerWaalsContact CG-CB 3.45Å; D213-S216 VanDerWaalsContact CG-OG 3.24Å; D213-S216 PolarHBondContact OD1-N 3.11Å; D213-S216 PolarHBondContact OD1-OG 3.07Å; D213-S216 WeakPolarHBondContact OD2-CB 3.36Å; D213-S216 PolarHBondContact OD2-OG 3.13Å; S216-D218 WeakPolarHBondContact CB-OD2 3.41Å; S216-R267 PolarHBondContact OG-NH1 2.72Å
217	N	90.2	Very high	92.1	Very high	98 Å²	98	57 Å²	57	52%	0.524	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	42.6	-172.5	-62.2	-94.2	0	0	0	114.9	Y212 D213 R280	Y212-N217 WeakPolarHBondContact OH-CA 3.29Å; Y212-N217 PolarHBondContact OH-O 3.44Å; Y212-N217 VanDerWaalsContact OH-O 3.05Å; D213-N217 WeakPolarHBondContact O-CA 3.15Å; D213-N217 PolarHBondContact O-N 3.05Å; N217-R280 PolarHBondContact OD1-NH1 3.22Å
218	D	94.5	Very high	90.2	Very high	67 Å²	67	67.2 Å²	67.2	36%	0.358	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-138.7	176.3	174.4	67.8	70.8	0	0	0	112.3	Y212 D213 S216 N220	Y212-D218 VanDerWaalsContact CD2-O 3.25Å; Y212-D218 WeakPolarHBondContact CD2-O 3.49Å; Y212-D218 VanDerWaalsContact CE2-C 3.5Å; Y212-D218 WeakPolarHBondContact CE2-O 3.22Å; Y212-D218 PolarHBondContact OH-N 3.12Å; D213-D218 WeakPolarHBondContact CA-O 3.02Å; D213-D218 WeakPolarHBondContact CB-O 3.48Å; D213-D218 PolarHBondContact N-O 3.24Å; D213-D218 PolarHBondContact O-N 2.96Å; S216-D218 WeakPolarHBondContact CB-OD2 3.41Å; D218-N220 VanDerWaalsContact C-N 3.31Å; D218-N220 PolarHBondContact O-N 3.25Å; D218-N220 VanDerWaalsContact OD1-CB 3.31Å; D218-N220 WeakPolarHBondContact OD1-CB 3.33Å; D218-N220 PolarHBondContact OD1-N 3.47Å
219	D	94.3	Very high	88.6	Confident	121 Å²	121	65.6 Å²	65.6	65%	0.647	32%	0.321	S	S	*	.	S	Bend	trans	-83.8	4.4	-172.3	-60.2	-46.4	0	0	0	114.2	Y212 P221	Y212-D219 WeakPolarHBondContact CD2-OD1 3.19Å; Y212-D219 VanDerWaalsContact CE2-OD1 3.29Å; Y212-D219 WeakPolarHBondContact CE2-OD1 3.07Å; D219-P221 WeakPolarHBondContact O-CD 3.5Å
220	N	95.1	Very high	87	Confident	84 Å²	84	69 Å²	69	45%	0.449	34%	0.335	S	S	.	.			trans	-108.4	99.1	-171.2	176.7	63.2	0	0	0	112.7	D213 D218 E222	D213-N220 WeakPolarHBondContact CB-O 3.42Å; D218-N220 VanDerWaalsContact C-N 3.31Å; D218-N220 PolarHBondContact O-N 3.25Å; D218-N220 VanDerWaalsContact OD1-CB 3.31Å; D218-N220 WeakPolarHBondContact OD1-CB 3.33Å; D218-N220 PolarHBondContact OD1-N 3.47Å; N220-E222 WeakPolarHBondContact ND2-CB 3.2Å; N220-E222 PolarHBondContact O-N 2.86Å
221	P	97.2	Very high	85.7	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	36%	0.355	C	S	.	.			trans	-76.9	10.5	-173.3	39.4	-44.1	0	0	0	114.5	G194 L195 T197 Y206 D219 G265	G194-P221 CarbonylContact C-O 3.53Å; G194-P221 VanDerWaalsContact CA-O 3.27Å; G194-P221 WeakPolarHBondContact CA-O 2.68Å; L195-P221 HydrophobicContact CB-CG 4.43Å; L195-P221 PolarHBondContact N-O 3.43Å; T197-P221 HydrophobicContact CG2-CG 3.65Å; Y206-P221 HydrophobicContact CE2-CG 4.35Å; D219-P221 WeakPolarHBondContact O-CD 3.5Å; P221-G265 WeakPolarHBondContact CB-O 3.28Å
222	E	96.8	Very high	84.9	Confident	37 Å²	37	74 Å²	74	17%	0.173	37%	0.367	C	S	.	.			trans	-63.1	127.4	-168.8	-170.7	63.5	-140.7	0	0	111	E196 T197 N220 Y225	E196-E222 WeakPolarHBondContact CA-OE1 3.47Å; T197-E222 WeakPolarHBondContact CB-OE2 3.43Å; T197-E222 PolarHBondContact N-OE2 3.17Å; T197-E222 PolarHBondContact OG1-OE2 3.19Å; N220-E222 WeakPolarHBondContact ND2-CB 3.2Å; N220-E222 PolarHBondContact O-N 2.86Å; E222-Y225 HydrophobicContact CG-CE2 4.15Å; E222-Y225 WeakPolarHBondContact OE1-CE2 3.26Å; E222-Y225 PolarHBondContact OE1-OH 2.86Å
223	P	95.1	Very high	84.3	Confident	3 Å²	3	76.2 Å²	76.2	2%	0.019	38%	0.383	C	S	.	.			trans	-65.7	143.7	-174.9	24.8	-34.1	0	0	0	111.7	L195 E196 Y225 N234 L398	L195-P223 VanDerWaalsContact O-CD 3.28Å; L195-P223 WeakPolarHBondContact O-CD 3.39Å; E196-P223 HydrophobicContact CB-CG 4.44Å; P223-Y225 HydrophobicContact CG-CE2 4.29Å; P223-Y225 WeakPolarHBondContact O-CD2 3.48Å; P223-Y225 WeakPolarHBondContact O-CE2 3.36Å; P223-Y225 PolarHBondContact O-N 2.9Å; P223-N234 HydrophobicContact CB-CB 3.9Å; P223-N234 WeakPolarHBondContact CB-O 3.44Å; P223-L398 HydrophobicContact CB-CD2 4.24Å; P223-L398 HydrophobicContact CG-CD2 3.52Å
224	R	90.6	Very high	84.1	Confident	117 Å²	117	76.5 Å²	76.5	44%	0.442	38%	0.384	S	S	.	.			trans	-78.4	94.8	-174.6	-178.8	178.3	57.7	125.1	2.7	111.7	L226 N234 D270	R224-L226 HydrophobicContact CG-CD2 4.15Å; R224-L226 HydrophobicContact CG-CG 4.35Å; R224-L226 PolarHBondContact O-N 3.45Å; R224-N234 PolarHBondContact O-ND2 2.76Å; R224-D270 VanDerWaalsContact CB-OD2 3.29Å; R224-D270 WeakPolarHBondContact CB-OD2 3.5Å; R224-D270 IonicContact CZ-OD1 3.83Å; R224-D270 IonicContact CZ-OD2 2.93Å; R224-D270 IonicContact NE-OD1 3.58Å; R224-D270 IonicContact NE-OD2 3.88Å; R224-D270 PolarHBondContact NE-OD2 2.84Å; R224-D270 IonicContact NH2-OD1 3.1Å; R224-D270 PolarHBondContact NH2-OD1 3.03Å; R224-D270 IonicContact NH2-OD2 3.23Å; R224-D270 PolarHBondContact NH2-OD2 3.46Å
225	Y	86.3	Confident	84.2	Confident	92 Å²	92	80.4 Å²	80.4	36%	0.361	40%	0.399	S	S	.	.			trans	-67.1	96.1	172.9	-51.3	-89.4	0	0	0	111.8	E196 E222 P223 T227 L398	E196-Y225 VanDerWaalsContact CG-OH 3.3Å; E196-Y225 WeakPolarHBondContact CG-OH 3.49Å; E196-Y225 PolarHBondContact OE1-OH 3.37Å; E222-Y225 HydrophobicContact CG-CE2 4.15Å; E222-Y225 WeakPolarHBondContact OE1-CE2 3.26Å; E222-Y225 PolarHBondContact OE1-OH 2.86Å; P223-Y225 HydrophobicContact CG-CE2 4.29Å; P223-Y225 WeakPolarHBondContact O-CD2 3.48Å; P223-Y225 WeakPolarHBondContact O-CE2 3.36Å; P223-Y225 PolarHBondContact O-N 2.9Å; Y225-T227 PolarHBondContact O-N 3.41Å; Y225-L398 HydrophobicContact CD1-CD1 4.4Å; Y225-L398 HydrophobicContact CE1-CB 4.21Å; Y225-L398 HydrophobicContact CE1-CD1 4.09Å; Y225-L398 HydrophobicContact CE1-CD2 4.18Å; Y225-L398 HydrophobicContact CE1-CG 4.39Å
226	L	70.1	Confident	84.5	Confident	76 Å²	76	80.9 Å²	80.9	40%	0.398	40%	0.4	S	S	.	.			trans	-79.7	120.1	175	-67.7	174.7	0	0	0	110.6	R224 R228 D229	R224-L226 HydrophobicContact CG-CD2 4.15Å; R224-L226 HydrophobicContact CG-CG 4.35Å; R224-L226 PolarHBondContact O-N 3.45Å; L226-R228 PolarHBondContact O-N 2.92Å; L226-D229 HydrophobicContact CB-CB 3.74Å; L226-D229 PolarHBondContact O-N 2.99Å
227	T	62.5	Low	84.8	Confident	155 Å²	155	78 Å²	78	95%	0.951	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-9.3	-179.9	56.5	0	0	0	0	115.7	Y225	Y225-T227 PolarHBondContact O-N 3.41Å
228	R	58.4	Low	85.2	Confident	220 Å²	220	73.3 Å²	73.3	83%	0.83	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	-19.2	172.3	-76.3	-176.9	163.7	-171.5	-3.8	113.7	L226 K230	L226-R228 PolarHBondContact O-N 2.92Å; R228-K230 PolarHBondContact O-N 2.89Å
229	D	64.8	Low	85.4	Confident	37 Å²	37	71.3 Å²	71.3	20%	0.198	34%	0.342	C	S	.	.			trans	-81.8	98.7	-179.7	178.6	31.5	0	0	0	110.3	L226 S231 N232 T233	L226-D229 HydrophobicContact CB-CB 3.74Å; L226-D229 PolarHBondContact O-N 2.99Å; D229-S231 WeakPolarHBondContact OD1-CA 3.31Å; D229-S231 VanDerWaalsContact OD1-CB 3.25Å; D229-S231 WeakPolarHBondContact OD1-CB 3.05Å; D229-S231 PolarHBondContact OD1-N 2.84Å; D229-S231 PolarHBondContact OD1-OG 3.03Å; D229-N232 PolarHBondContact OD1-N 2.8Å; D229-N232 WeakPolarHBondContact OD2-CA 3.02Å; D229-N232 PolarHBondContact OD2-N 3.34Å; D229-T233 PolarHBondContact OD2-N 2.59Å
230	K	63.4	Low	85.6	Confident	208 Å²	208	65.6 Å²	65.6	90%	0.904	31%	0.311	S	S	*	.	S	Bend	trans	-82.1	-2.4	170.4	-63.1	-175.8	177.9	-176.5	0	112.9	R228	R228-K230 PolarHBondContact O-N 2.89Å
231	S	71.9	Confident	85.8	Confident	61 Å²	61	61.6 Å²	61.6	43%	0.427	29%	0.29	S	S	.	.	S	Bend	trans	-91.6	-15.3	-178.5	80	0	0	0	0	113	D229 R235	D229-S231 WeakPolarHBondContact OD1-CA 3.31Å; D229-S231 VanDerWaalsContact OD1-CB 3.25Å; D229-S231 WeakPolarHBondContact OD1-CB 3.05Å; D229-S231 PolarHBondContact OD1-N 2.84Å; D229-S231 PolarHBondContact OD1-OG 3.03Å; S231-R235 PolarHBondContact O-NH1 2.87Å
232	N	81.7	Confident	85.9	Confident	47 Å²	47	61.7 Å²	61.7	25%	0.251	29%	0.29	S	S	.	.			trans	51.1	70.1	-171.9	-71.2	-3.6	0	0	0	110.3	D229 N234 R235 L398 N399	D229-N232 PolarHBondContact OD1-N 2.8Å; D229-N232 WeakPolarHBondContact OD2-CA 3.02Å; D229-N232 PolarHBondContact OD2-N 3.34Å; N232-N234 VanDerWaalsContact C-N 3.35Å; N232-R235 HydrophobicContact CB-CB 4.41Å; N232-R235 WeakPolarHBondContact O-CD 3.32Å; N232-R235 WeakPolarHBondContact O-CG 3.41Å; N232-R235 PolarHBondContact O-NE 3.05Å; N232-L398 HydrophobicContact CB-CD1 4.16Å; N232-N399 PolarHBondContact ND2-ND2 2.72Å; N232-N399 VanDerWaalsContact ND2-ND2 3.14Å
233	T	86	Confident	86	Confident	69 Å²	69	60.1 Å²	60.1	42%	0.423	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-49.1	-179.5	56.6	0	0	0	0	110.8	D229 R235	D229-T233 PolarHBondContact OD2-N 2.59Å; T233-R235 PolarHBondContact O-N 2.63Å
234	N	92.9	Very high	86.2	Confident	10 Å²	10	60 Å²	60	5%	0.053	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	39.3	-167.2	-57.3	-18.8	0	0	0	113.4	D193 P223 R224 N232 D270 L398	D193-N234 HydrophobicContact CB-CB 4.32Å; D193-N234 VanDerWaalsContact CG-CA 3.49Å; D193-N234 WeakPolarHBondContact OD2-CA 3.48Å; P223-N234 HydrophobicContact CB-CB 3.9Å; P223-N234 WeakPolarHBondContact CB-O 3.44Å; R224-N234 PolarHBondContact O-ND2 2.76Å; N232-N234 VanDerWaalsContact C-N 3.35Å; N234-D270 PolarHBondContact ND2-OD1 3.13Å; N234-D270 PolarHBondContact ND2-OD2 3.41Å; N234-D270 PolarHBondContact OD1-OD1 2.92Å; N234-L398 WeakPolarHBondContact O-CD1 3.42Å
235	R	94.9	Very high	86.5	Confident	88 Å²	88	54.4 Å²	54.4	33%	0.332	26%	0.261	S	S	.	.			trans	-101.1	-8.8	-173.4	69.3	-177.6	167.9	-138	-25.1	114.1	D193 S231 N232 T233 R239 L398	D193-R235 PolarHBondContact OD2-N 2.82Å; S231-R235 PolarHBondContact O-NH1 2.87Å; N232-R235 HydrophobicContact CB-CB 4.41Å; N232-R235 WeakPolarHBondContact O-CD 3.32Å; N232-R235 WeakPolarHBondContact O-CG 3.41Å; N232-R235 PolarHBondContact O-NE 3.05Å; T233-R235 PolarHBondContact O-N 2.63Å; R235-R239 WeakPolarHBondContact O-CG 3.38Å; R235-R239 PolarHBondContact O-N 2.04Å; R235-R239 VanDerWaalsContact O-N 3.1Å; R235-L398 HydrophobicContact CB-CB 4.48Å; R235-L398 HydrophobicContact CB-CD1 3.86Å; R235-L398 HydrophobicContact CB-CG 3.61Å
236	H	96.9	Very high	87.1	Confident	47 Å²	47	50.2 Å²	50.2	22%	0.218	25%	0.245	C	C	.	.	H	α-helix	trans	-72.8	-50.2	-161.9	-170.9	-87.5	0	0	0	110.6	D192 D193 T238 R239 C240 H406 S410	D192-H236 VanDerWaalsContact CG-ND1 3.31Å; D192-H236 WeakPolarHBondContact OD1-CB 3.4Å; D192-H236 IonicContact OD1-CG 3.16Å; D192-H236 IonicContact OD1-ND1 3.22Å; D192-H236 PolarHBondContact OD1-ND1 3.01Å; D192-H236 VanDerWaalsContact OD1-ND1 3.09Å; D192-H236 IonicContact OD2-CE1 2.78Å; D192-H236 PolarHBondContact OD2-CE1 3.13Å; D192-H236 IonicContact OD2-CG 3.54Å; D192-H236 IonicContact OD2-ND1 3.28Å; D192-H236 PolarHBondContact OD2-ND1 2.9Å; D193-H236 PolarHBondContact OD1-N 2.95Å; D193-H236 VanDerWaalsContact OD1-N 3.14Å; D193-H236 WeakPolarHBondContact OD2-CA 3.15Å; D193-H236 WeakPolarHBondContact OD2-CB 3.38Å; D193-H236 PolarHBondContact OD2-N 3.13Å; H236-T238 VanDerWaalsContact C-N 3.28Å; H236-T238 PolarHBondContact O-N 3.38Å; H236-R239 WeakPolarHBondContact O-CB 3.19Å; H236-R239 PolarHBondContact O-N 2.81Å; H236-C240 VanDerWaalsContact CE1-SG 3.58Å; H236-C240 PolarHBondContact O-N 2.88Å; H236-C240 PolarHBondContact O-SG 2.73Å; H236-H406 AromaticContact CD2-CE1 3.95Å; H236-H406 AromaticContact NE2-CE1 3.69Å; H236-S410 WeakPolarHBondContact NE2-CB 3.22Å
237	G	97.8	Very high	88.4	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61.1	-35.1	175	0	0	0	0	0	113.4	D192 D193 G194 R239 C240 A241	D192-G237 PolarHBondContact OD1-N 3.42Å; D193-G237 PolarHBondContact OD1-N 2.81Å; G194-G237 CarbonylContact O-C 3.54Å; G194-G237 VanDerWaalsContact O-CA 3.31Å; G194-G237 WeakPolarHBondContact O-CA 3.38Å; G237-R239 VanDerWaalsContact C-N 3.34Å; G237-R239 PolarHBondContact O-N 3.29Å; G237-C240 PolarHBondContact O-N 3.03Å; G237-A241 WeakPolarHBondContact O-CB 3.42Å; G237-A241 PolarHBondContact O-N 3.47Å
238	T	98.5	Very high	90	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-67.2	-32.5	174.7	-61	0	0	0	0	112.6	G194 E196 L202 H236 T396 L398	G194-T238 PolarHBondContact O-N 2.99Å; E196-T238 HydrophobicContact CB-CG2 3.76Å; E196-T238 PolarHBondContact N-OG1 3.23Å; L202-T238 HydrophobicContact CD1-CG2 4.16Å; H236-T238 VanDerWaalsContact C-N 3.28Å; H236-T238 PolarHBondContact O-N 3.38Å; T238-T396 PolarHBondContact O-OG1 2.92Å; T238-L398 HydrophobicContact CG2-CD2 4.09Å
239	R	98.5	Very high	91.7	Very high	26 Å²	26	34 Å²	34	10%	0.098	17%	0.174	C	C	.	.	H	α-helix	trans	-72.2	-47.7	173.1	-73.9	166.5	171.3	-139.9	-2.5	111.4	R235 H236 G237 A241 G242 E243 T395 T396 D397 T403 N405	R235-R239 WeakPolarHBondContact O-CG 3.38Å; R235-R239 PolarHBondContact O-N 2.04Å; R235-R239 VanDerWaalsContact O-N 3.1Å; H236-R239 WeakPolarHBondContact O-CB 3.19Å; H236-R239 PolarHBondContact O-N 2.81Å; G237-R239 VanDerWaalsContact C-N 3.34Å; G237-R239 PolarHBondContact O-N 3.29Å; R239-A241 VanDerWaalsContact C-N 3.3Å; R239-A241 PolarHBondContact O-N 3.44Å; R239-G242 PolarHBondContact O-N 3.47Å; R239-E243 PolarHBondContact O-N 3.27Å; R239-T395 HydrophobicContact CB-CG2 3.71Å; R239-T395 HydrophobicContact CG-CG2 4.02Å; R239-T395 WeakPolarHBondContact O-CG2 3.26Å; R239-T395 PolarHBondContact O-OG1 2.99Å; R239-T396 WeakPolarHBondContact CA-O 3.17Å; R239-T396 WeakPolarHBondContact CG-O 3.3Å; R239-D397 HydrophobicContact CG-CB 4.49Å; R239-D397 IonicContact CZ-OD1 3.44Å; R239-D397 IonicContact CZ-OD2 3.14Å; R239-D397 VanDerWaalsContact NE-CG 3.31Å; R239-D397 IonicContact NE-OD1 2.85Å; R239-D397 PolarHBondContact NE-OD1 2.88Å; R239-D397 IonicContact NE-OD2 3.98Å; R239-D397 VanDerWaalsContact NH2-CG 3.34Å; R239-D397 IonicContact NH2-OD1 3.02Å; R239-D397 PolarHBondContact NH2-OD1 3.3Å; R239-D397 IonicContact NH2-OD2 2.64Å; R239-D397 PolarHBondContact NH2-OD2 2.56Å; R239-T403 HydrophobicContact CG-CG2 4.31Å; R239-T403 PolarHBondContact NH2-OG1 3.41Å; R239-N405 PolarHBondContact NH1-O 2.7Å
240	C	98.7	Very high	93.1	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.007	18%	0.176	C	C	.	.	H	α-helix	trans	-55.3	-43.5	175.3	-65.3	0	0	0	0	112	I190 H236 G237 G242 E243 V244 P414	I190-C240 HydrophobicContact CD1-CB 4.14Å; I190-C240 HydrophobicContact CG1-CB 4.44Å; I190-C240 HydrophobicContact CG2-CB 3.74Å; H236-C240 VanDerWaalsContact CE1-SG 3.58Å; H236-C240 PolarHBondContact O-N 2.88Å; H236-C240 PolarHBondContact O-SG 2.73Å; G237-C240 PolarHBondContact O-N 3.03Å; C240-G242 VanDerWaalsContact C-N 3.35Å; C240-G242 PolarHBondContact O-N 3.49Å; C240-E243 PolarHBondContact O-N 2.85Å; C240-V244 PolarHBondContact O-N 2.85Å; C240-P414 HydrophobicContact CB-CB 4.09Å; C240-P414 HydrophobicContact CB-CG 3.53Å; C240-P414 WeakPolarHBondContact O-CB 3.26Å
241	A	98.8	Very high	94.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.5	-39.4	-179.1	0	0	0	0	0	113.5	I190 L195 L202 G237 R239 V244 A245 I263	I190-A241 HydrophobicContact CG1-CB 4.04Å; L195-A241 HydrophobicContact CD1-CB 3.4Å; L195-A241 VanDerWaalsContact CD1-CB 3.4Å; L202-A241 HydrophobicContact CD1-CB 4.13Å; L202-A241 HydrophobicContact CD2-CB 4.31Å; G237-A241 WeakPolarHBondContact O-CB 3.42Å; G237-A241 PolarHBondContact O-N 3.47Å; R239-A241 VanDerWaalsContact C-N 3.3Å; R239-A241 PolarHBondContact O-N 3.44Å; A241-V244 PolarHBondContact O-N 2.67Å; A241-A245 PolarHBondContact O-N 2.78Å; A241-I263 HydrophobicContact CB-CD1 4.49Å; A241-I263 HydrophobicContact CB-CG1 3.92Å
242	G	98.7	Very high	95.7	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.01	15%	0.15	C	C	.	.	H	α-helix	trans	-68.1	-35	178.9	0	0	0	0	0	113.7	R239 C240 V244 A245 A246 G256 T395 T396	R239-G242 PolarHBondContact O-N 3.47Å; C240-G242 VanDerWaalsContact C-N 3.35Å; C240-G242 PolarHBondContact O-N 3.49Å; G242-V244 VanDerWaalsContact C-N 3.29Å; G242-V244 PolarHBondContact O-N 2.91Å; G242-A245 PolarHBondContact O-N 3.28Å; G242-A246 WeakPolarHBondContact O-CB 3.49Å; G242-A246 PolarHBondContact O-N 3.2Å; G242-G256 WeakPolarHBondContact O-CA 3.19Å; G242-T395 VanDerWaalsContact CA-OG1 3.31Å; G242-T395 WeakPolarHBondContact CA-OG1 3.3Å; G242-T396 VanDerWaalsContact CA-OG1 3.26Å; G242-T396 WeakPolarHBondContact CA-OG1 3.35Å; G242-T396 PolarHBondContact N-OG1 3.28Å
243	E	98.8	Very high	96.5	Very high	5 Å²	5	25.3 Å²	25.3	2%	0.023	14%	0.141	C	C	.	.	H	α-helix	trans	-64.4	-36.5	177	-66.4	175.2	-54	0	0	111.8	R239 C240 G256 I257 V393 T395 H406 A411 P414 L415	R239-E243 PolarHBondContact O-N 3.27Å; C240-E243 PolarHBondContact O-N 2.85Å; E243-G256 WeakPolarHBondContact O-CA 3.22Å; E243-I257 PolarHBondContact O-N 2.93Å; E243-V393 HydrophobicContact CG-CG1 4.3Å; E243-V393 WeakPolarHBondContact OE2-CB 3.13Å; E243-V393 WeakPolarHBondContact OE2-CG1 3.07Å; E243-T395 HydrophobicContact CG-CG2 4.14Å; E243-T395 PolarHBondContact N-OG1 2.95Å; E243-H406 IonicContact OE1-CD2 2.63Å; E243-H406 PolarHBondContact OE1-CD2 2.83Å; E243-H406 IonicContact OE1-NE2 3.79Å; E243-H406 IonicContact OE2-CD2 3.29Å; E243-H406 PolarHBondContact OE2-CD2 2.84Å; E243-A411 WeakPolarHBondContact OE2-CB 3.41Å; E243-P414 HydrophobicContact CB-CB 3.97Å; E243-P414 WeakPolarHBondContact OE1-CB 3.31Å; E243-P414 WeakPolarHBondContact OE1-CG 3.27Å; E243-L415 HydrophobicContact CB-CD2 3.85Å; E243-L415 HydrophobicContact CB-CG 4.23Å; E243-L415 HydrophobicContact CG-CD2 4.23Å
244	V	98.9	Very high	97	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-71.4	-58.3	171.7	-175	0	0	0	0	110.5	V188 I190 C240 A241 G242 G256 I257 A258 I263 P414 A417	V188-V244 HydrophobicContact CB-CG1 3.88Å; V188-V244 HydrophobicContact CG1-CG1 3.87Å; V188-V244 HydrophobicContact CG1-CG2 4.29Å; V188-V244 HydrophobicContact CG2-CG1 3.72Å; I190-V244 HydrophobicContact CD1-CG2 4.01Å; C240-V244 PolarHBondContact O-N 2.85Å; A241-V244 PolarHBondContact O-N 2.67Å; G242-V244 VanDerWaalsContact C-N 3.29Å; G242-V244 PolarHBondContact O-N 2.91Å; V244-G256 CarbonylContact O-C 3.59Å; V244-G256 WeakPolarHBondContact O-CA 3.37Å; V244-I257 PolarHBondContact O-N 2.99Å; V244-A258 CarbonylContact O-C 2.94Å; V244-A258 WeakPolarHBondContact O-CA 3.4Å; V244-A258 WeakPolarHBondContact O-CB 3.35Å; V244-A258 PolarHBondContact O-N 3.26Å; V244-I263 HydrophobicContact CB-CD1 4.09Å; V244-I263 HydrophobicContact CG1-CD1 4.11Å; V244-I263 HydrophobicContact CG2-CD1 4.49Å; V244-P414 HydrophobicContact CG2-CB 4.04Å; V244-P414 WeakPolarHBondContact CG2-O 3.37Å; V244-A417 HydrophobicContact CG2-CB 4.26Å
245	A	98.7	Very high	97.1	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-145.4	22.9	-154.3	0	0	0	0	0	115.6	N205 A241 G242 A247 I263	N205-A245 PolarHBondContact ND2-O 2.97Å; A241-A245 PolarHBondContact O-N 2.78Å; G242-A245 PolarHBondContact O-N 3.28Å; A245-A247 PolarHBondContact O-N 2.89Å; A245-I263 HydrophobicContact CB-CB 3.68Å; A245-I263 HydrophobicContact CB-CD1 4.31Å; A245-I263 HydrophobicContact CB-CG1 4.1Å; A245-I263 HydrophobicContact CB-CG2 4.05Å
246	A	98.6	Very high	97.3	Very high	3 Å²	3	17.8 Å²	17.8	3%	0.025	11%	0.105	C	C	.	.			trans	-52.6	139.2	162.6	0	0	0	0	0	109.9	D201 L202 G242 G256 Y259 T396	D201-A246 HydrophobicContact CB-CB 4.36Å; D201-A246 CarbonylContact O-C 3.58Å; D201-A246 WeakPolarHBondContact O-CA 3.33Å; L202-A246 HydrophobicContact CD2-CB 4.4Å; G242-A246 WeakPolarHBondContact O-CB 3.49Å; G242-A246 PolarHBondContact O-N 3.2Å; A246-G256 PolarHBondContact O-N 2.93Å; A246-Y259 WeakPolarHBondContact O-CA 3.33Å; A246-Y259 WeakPolarHBondContact O-CB 3.5Å; A246-T396 HydrophobicContact CB-CG2 4.21Å
247	A	97.5	Very high	97.4	Very high	9 Å²	9	15.5 Å²	15.5	7%	0.074	10%	0.095	C	C	.	.			trans	-63.5	167.5	-178.1	0	0	0	0	0	111.1	D201 A245 L255	D201-A247 PolarHBondContact O-N 3.24Å; D201-A247 PolarHBondContact OD1-N 3.42Å; A245-A247 PolarHBondContact O-N 2.89Å; A247-L255 WeakPolarHBondContact O-CA 3.35Å; A247-L255 VanDerWaalsContact O-CB 3.29Å; A247-L255 WeakPolarHBondContact O-CB 3.43Å
248	A	95.5	Very high	97.4	Very high	25 Å²	25	15.5 Å²	15.5	21%	0.207	10%	0.095	C	C	.	.	S	Bend	trans	-130.4	143.9	178.5	0	0	0	0	0	111	L255 Y259	A248-L255 HydrophobicContact CB-CB 3.79Å; A248-L255 HydrophobicContact CB-CD1 3.64Å; A248-L255 HydrophobicContact CB-CG 4.38Å; A248-Y259 HydrophobicContact CB-CD1 4.33Å; A248-Y259 HydrophobicContact CB-CD2 3.33Å; A248-Y259 HydrophobicContact CB-CE2 3.83Å; A248-Y259 HydrophobicContact CB-CG 3.62Å
249	N	94	Very high	97.4	Very high	76 Å²	76	17.3 Å²	17.3	41%	0.406	10%	0.102	S	C	.	.	S	Bend	trans	63.5	33.7	-175.9	-58.1	-88	0	0	0	115	P149 V150 S151 D152	P149-N249 PolarHBondContact O-ND2 3.37Å; P149-N249 PolarHBondContact O-OD1 2.94Å; P149-N249 VanDerWaalsContact O-OD1 3.09Å; V150-N249 WeakPolarHBondContact CA-OD1 3.34Å; S151-N249 PolarHBondContact N-OD1 2.93Å; S151-N249 VanDerWaalsContact OG-CA 3.29Å; S151-N249 WeakPolarHBondContact OG-CA 3.32Å; S151-N249 PolarHBondContact OG-OD1 3.15Å; D152-N249 VanDerWaalsContact CG-N 3.27Å; D152-N249 WeakPolarHBondContact OD1-CA 3.48Å; D152-N249 PolarHBondContact OD1-N 2.84Å; D152-N249 VanDerWaalsContact OD1-N 3.09Å; D152-N249 WeakPolarHBondContact OD2-CA 3.38Å; D152-N249 PolarHBondContact OD2-N 2.83Å
250	N	94.4	Very high	97.3	Very high	46 Å²	46	22.8 Å²	22.8	25%	0.246	12%	0.123	C	C	.	.	S	Bend	trans	-99.4	-7.2	170.7	65	2.8	0	0	0	112.8	D152 D201 V252	D152-N250 PolarHBondContact OD1-N 2.84Å; D152-N250 PolarHBondContact OD1-OD1 2.87Å; D201-N250 PolarHBondContact OD1-ND2 2.76Å; N250-V252 VanDerWaalsContact C-N 3.28Å; N250-V252 HydrophobicContact CB-CG2 4.39Å; N250-V252 PolarHBondContact O-N 3.35Å; N250-V252 WeakPolarHBondContact OD1-CB 3.38Å; N250-V252 PolarHBondContact OD1-N 2.88Å
251	S	94.7	Very high	97.3	Very high	78 Å²	78	22.8 Å²	22.8	55%	0.545	12%	0.123	S	C	.	.	S	Bend	trans	66.7	20	-173.4	-49	0	0	0	0	115.3	D152 P153	D152-S251 PolarHBondContact OD1-N 3.49Å; P153-S251 VanDerWaalsContact CD-C 3.5Å; P153-S251 WeakPolarHBondContact CD-O 3.12Å
252	V	96	Very high	97.3	Very high	39 Å²	39	27.6 Å²	27.6	24%	0.236	14%	0.141	C	C	.	.	S	Bend	trans	-102.3	152.6	173	-175.1	0	0	0	0	108.9	P153 P200 D201 N250 G254	P153-V252 WeakPolarHBondContact CD-O 3.13Å; P200-V252 HydrophobicContact CB-CG1 4.2Å; P200-V252 HydrophobicContact CB-CG2 4.26Å; P200-V252 HydrophobicContact CG-CG1 3.97Å; D201-V252 HydrophobicContact CB-CB 4.37Å; D201-V252 HydrophobicContact CB-CG1 3.84Å; N250-V252 VanDerWaalsContact C-N 3.28Å; N250-V252 HydrophobicContact CB-CG2 4.39Å; N250-V252 PolarHBondContact O-N 3.35Å; N250-V252 WeakPolarHBondContact OD1-CB 3.38Å; N250-V252 PolarHBondContact OD1-N 2.88Å; V252-G254 PolarHBondContact O-N 2.63Å
253	C	97.3	Very high	97.3	Very high	9 Å²	9	27.5 Å²	27.5	6%	0.061	14%	0.14	C	C	.	.	S	Bend	trans	21.6	-92.6	175.4	-165.5	0	0	0	0	116.9	K154 D201 T395 C402	K154-C253 WeakPolarHBondContact CB-O 3.46Å; K154-C253 VanDerWaalsContact CG-O 3.26Å; K154-C253 WeakPolarHBondContact CG-O 3.47Å; K154-C253 PolarHBondContact N-O 3.44Å; D201-C253 WeakPolarHBondContact OD2-CB 3.36Å; C253-T395 PolarHBondContact SG-O 3.32Å; C253-T395 VanDerWaalsContact SG-O 3.36Å; C253-C402 WeakPolarHBondContact CA-SG 3.13Å; C253-C402 HydrophobicContact CB-CB 3.55Å; C253-C402 WeakPolarHBondContact CB-SG 3.37Å; C253-C402 WeakPolarHBondContact SG-CB 3.48Å; C253-C402 CovalentContact SG-SG 2.03Å; C253-C402 PolarHBondContact SG-SG 3.46Å
254	G	95.9	Very high	97.3	Very high	3 Å²	3	27.3 Å²	27.3	3%	0.031	14%	0.139	C	C	.	.			trans	-142	-127.5	-170.4	0	0	0	0	0	112.5	D152 V252	D152-G254 WeakPolarHBondContact CB-O 3.37Å; V252-G254 PolarHBondContact O-N 2.63Å
255	L	97	Very high	97.3	Very high	5 Å²	5	27.3 Å²	27.3	3%	0.026	14%	0.14	C	C	.	.			trans	-164.5	152.5	164.3	72.8	174.6	0	0	0	110.8	V150 W155 M158 W177 A247 A248 Y259	V150-L255 HydrophobicContact CG1-CD1 4.05Å; V150-L255 HydrophobicContact CG1-CD2 4.02Å; V150-L255 HydrophobicContact CG2-CD1 4.35Å; W155-L255 HydrophobicContact CD2-CD2 4.34Å; W155-L255 HydrophobicContact CE3-CD2 3.51Å; W155-L255 HydrophobicContact CZ3-CD2 3.96Å; M158-L255 HydrophobicContact CE-CD2 4.29Å; M158-L255 VanDerWaalsContact CE-O 3.22Å; M158-L255 WeakPolarHBondContact CE-O 3.22Å; M158-L255 HydrophobicContact SD-CD2 3.82Å; W177-L255 HydrophobicContact CH2-CD1 3.89Å; W177-L255 HydrophobicContact CH2-CD2 4.38Å; W177-L255 HydrophobicContact CH2-CG 4.21Å; W177-L255 HydrophobicContact CZ2-CD1 4.35Å; W177-L255 HydrophobicContact CZ3-CD1 4.2Å; A247-L255 WeakPolarHBondContact O-CA 3.35Å; A247-L255 VanDerWaalsContact O-CB 3.29Å; A247-L255 WeakPolarHBondContact O-CB 3.43Å; A248-L255 HydrophobicContact CB-CB 3.79Å; A248-L255 HydrophobicContact CB-CD1 3.64Å; A248-L255 HydrophobicContact CB-CG 4.38Å; L255-Y259 HydrophobicContact CD1-CD1 3.96Å; L255-Y259 HydrophobicContact CD1-CE1 4.32Å; L255-Y259 HydrophobicContact CD1-CG 4.38Å
256	G	98.2	Very high	97.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.14	C	C	.	.			trans	-74.5	158.1	174.3	0	0	0	0	0	112.8	G242 E243 V244 A246 A258 Y259	G242-G256 WeakPolarHBondContact O-CA 3.19Å; E243-G256 WeakPolarHBondContact O-CA 3.22Å; V244-G256 CarbonylContact O-C 3.59Å; V244-G256 WeakPolarHBondContact O-CA 3.37Å; A246-G256 PolarHBondContact O-N 2.93Å; G256-A258 PolarHBondContact O-N 3.16Å; G256-Y259 PolarHBondContact O-N 3.28Å
257	I	98.1	Very high	97.3	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-38.2	172.4	-73.6	-177.8	0	0	0	111.1	L161 M171 V173 W177 E243 V244 L415 G418 I419 L422	L161-I257 HydrophobicContact CD1-CG1 4.26Å; L161-I257 HydrophobicContact CD2-CD1 3.78Å; L161-I257 HydrophobicContact CD2-CG1 3.61Å; M171-I257 HydrophobicContact CE-CD1 3.66Å; V173-I257 HydrophobicContact CG1-CD1 4.48Å; V173-I257 HydrophobicContact CG1-CG1 4.38Å; V173-I257 HydrophobicContact CG1-CG2 3.94Å; W177-I257 PolarHBondContact NE1-O 3.07Å; E243-I257 PolarHBondContact O-N 2.93Å; V244-I257 PolarHBondContact O-N 2.99Å; I257-L415 HydrophobicContact CD1-CB 3.94Å; I257-L415 HydrophobicContact CD1-CD2 3.6Å; I257-L415 HydrophobicContact CD1-CG 4.37Å; I257-L415 WeakPolarHBondContact CD1-O 3.34Å; I257-L415 HydrophobicContact CG1-CD2 4.17Å; I257-G418 VanDerWaalsContact CG2-C 3.43Å; I257-I419 HydrophobicContact CD1-CG1 4.13Å; I257-I419 HydrophobicContact CG2-CG1 3.97Å; I257-L422 HydrophobicContact CG2-CD1 3.5Å; I257-L422 HydrophobicContact CG2-CG 3.96Å; I257-L422 WeakPolarHBondContact O-CD2 3.37Å
258	A	98.4	Very high	97.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.6	55.1	176.7	0	0	0	0	0	110.2	A182 V244 G256 R260 A261 A421 L422	A182-A258 CarbonylContact O-C 3.5Å; A182-A258 VanDerWaalsContact O-CA 3.31Å; A182-A258 WeakPolarHBondContact O-CA 3.45Å; V244-A258 CarbonylContact O-C 2.94Å; V244-A258 WeakPolarHBondContact O-CA 3.4Å; V244-A258 WeakPolarHBondContact O-CB 3.35Å; V244-A258 PolarHBondContact O-N 3.26Å; G256-A258 PolarHBondContact O-N 3.16Å; A258-R260 PolarHBondContact O-N 2.8Å; A258-A261 HydrophobicContact CB-CB 3.92Å; A258-A261 WeakPolarHBondContact O-CB 3.4Å; A258-A261 PolarHBondContact O-N 3.41Å; A258-A421 HydrophobicContact CB-CB 3.79Å; A258-L422 HydrophobicContact CB-CD2 4.44Å
259	Y	97.9	Very high	97	Very high	38 Å²	38	29 Å²	29	15%	0.149	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	4.8	-177.9	65.6	-93.1	0	0	0	117	W177 A182 N205 A246 A248 L255 G256	W177-Y259 HydrophobicContact CB-CE1 4.47Å; W177-Y259 AromaticContact CD1-CE1 3.7Å; W177-Y259 AromaticContact CD2-CE1 3.87Å; W177-Y259 HydrophobicContact CD2-CE1 3.87Å; W177-Y259 AromaticContact CE2-CE1 3.78Å; W177-Y259 AromaticContact CG-CE1 3.82Å; W177-Y259 HydrophobicContact CG-CE1 3.82Å; W177-Y259 HydrophobicContact CZ2-CD1 4.35Å; W177-Y259 HydrophobicContact CZ2-CE1 4.39Å; W177-Y259 AromaticContact NE1-CE1 3.68Å; A182-Y259 HydrophobicContact CB-CD1 4.2Å; A182-Y259 HydrophobicContact CB-CD2 4.39Å; A182-Y259 HydrophobicContact CB-CE1 3.71Å; A182-Y259 HydrophobicContact CB-CE2 3.94Å; A182-Y259 PolarHBondContact O-N 2.85Å; N205-Y259 PolarHBondContact ND2-O 3.02Å; A246-Y259 WeakPolarHBondContact O-CA 3.33Å; A246-Y259 WeakPolarHBondContact O-CB 3.5Å; A248-Y259 HydrophobicContact CB-CD1 4.33Å; A248-Y259 HydrophobicContact CB-CD2 3.33Å; A248-Y259 HydrophobicContact CB-CE2 3.83Å; A248-Y259 HydrophobicContact CB-CG 3.62Å; L255-Y259 HydrophobicContact CD1-CD1 3.96Å; L255-Y259 HydrophobicContact CD1-CE1 4.32Å; L255-Y259 HydrophobicContact CD1-CG 4.38Å; G256-Y259 PolarHBondContact O-N 3.28Å
260	R	97.6	Very high	96.8	Very high	141 Å²	141	26.3 Å²	26.3	53%	0.532	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132	12	171	-54	-173.6	62.5	-170.9	-2	113.5	A182 Q184 A258	A182-R260 HydrophobicContact CB-CB 4.13Å; A182-R260 HydrophobicContact CB-CG 3.92Å; A182-R260 WeakPolarHBondContact O-CA 3.39Å; A182-R260 WeakPolarHBondContact O-CB 3.42Å; A182-R260 PolarHBondContact O-N 3.19Å; Q184-R260 WeakPolarHBondContact CA-O 3.34Å; Q184-R260 HydrophobicContact CG-CB 3.89Å; A258-R260 PolarHBondContact O-N 2.8Å
261	A	98.7	Very high	96.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	-74.7	159.7	161.9	0	0	0	0	0	109.8	G183 N205 A258 A421	G183-A261 WeakPolarHBondContact O-CA 3.27Å; G183-A261 WeakPolarHBondContact O-CB 3.22Å; N205-A261 WeakPolarHBondContact CB-O 3.39Å; A258-A261 HydrophobicContact CB-CB 3.92Å; A258-A261 WeakPolarHBondContact O-CB 3.4Å; A258-A261 PolarHBondContact O-N 3.41Å; A261-A421 HydrophobicContact CB-CB 4.44Å
262	R	98.8	Very high	95.8	Very high	101 Å²	101	29.7 Å²	29.7	38%	0.381	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	140.4	168.9	-73.7	-173.5	-63.1	159.3	-1.3	109.9	V186 V187 V188 N205 D207 H288	V186-R262 PolarHBondContact O-N 2.97Å; V187-R262 HydrophobicContact CG2-CB 4.22Å; V187-R262 VanDerWaalsContact CG2-CZ 3.48Å; V188-R262 PolarHBondContact N-O 2.93Å; N205-R262 CarbonylContact O-C 3.59Å; N205-R262 VanDerWaalsContact O-CA 3.31Å; N205-R262 WeakPolarHBondContact O-CA 3.17Å; D207-R262 HydrophobicContact CB-CB 3.97Å; D207-R262 WeakPolarHBondContact OD2-CD 3.45Å; D207-R262 IonicContact OD2-CZ 3.36Å; D207-R262 IonicContact OD2-NE 2.83Å; D207-R262 PolarHBondContact OD2-NE 3.23Å; D207-R262 IonicContact OD2-NH1 2.68Å; D207-R262 PolarHBondContact OD2-NH1 2.83Å; D207-R262 IonicContact OD2-NH2 3.52Å; R262-H288 PolarHBondContact NH1-CE1 2.88Å
263	I	98.8	Very high	95.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	130.3	-175	-166.9	63.2	0	0	0	111.4	V188 I190 N205 Y206 D207 A241 V244 A245	V188-I263 HydrophobicContact CB-CD1 3.91Å; V188-I263 HydrophobicContact CG1-CD1 4.12Å; V188-I263 CarbonylContact O-C 3.49Å; V188-I263 WeakPolarHBondContact O-CA 3.47Å; I190-I263 HydrophobicContact CD1-CD1 4.15Å; I190-I263 HydrophobicContact CG1-CD1 3.92Å; N205-I263 HydrophobicContact CB-CG2 4.15Å; N205-I263 PolarHBondContact O-N 3.1Å; Y206-I263 CarbonylContact C-O 3.54Å; Y206-I263 WeakPolarHBondContact CA-O 3.44Å; D207-I263 PolarHBondContact N-O 3.34Å; A241-I263 HydrophobicContact CB-CD1 4.49Å; A241-I263 HydrophobicContact CB-CG1 3.92Å; V244-I263 HydrophobicContact CB-CD1 4.09Å; V244-I263 HydrophobicContact CG1-CD1 4.11Å; V244-I263 HydrophobicContact CG2-CD1 4.49Å; A245-I263 HydrophobicContact CB-CB 3.68Å; A245-I263 HydrophobicContact CB-CD1 4.31Å; A245-I263 HydrophobicContact CB-CG1 4.1Å; A245-I263 HydrophobicContact CB-CG2 4.05Å
264	G	98.7	Very high	94.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	173.4	170.3	0	0	0	0	0	112.4	V188 T189 I190 L195 S211	V188-G264 PolarHBondContact O-N 3.42Å; T189-G264 WeakPolarHBondContact CA-O 3.11Å; T189-G264 PolarHBondContact OG1-O 2.7Å; I190-G264 PolarHBondContact N-O 2.67Å; L195-G264 VanDerWaalsContact CD2-C 3.47Å; S211-G264 WeakPolarHBondContact OG-CA 3.33Å
265	G	98.6	Very high	94.7	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	135.9	175.7	0	0	0	0	0	110.7	I190 S211 Y212 P221	I190-G265 CarbonylContact O-C 3.34Å; I190-G265 WeakPolarHBondContact O-CA 3.17Å; S211-G265 CarbonylContact C-O 3.53Å; S211-G265 WeakPolarHBondContact CA-O 3.11Å; S211-G265 VanDerWaalsContact CB-O 3.29Å; S211-G265 WeakPolarHBondContact CB-O 3.25Å; S211-G265 PolarHBondContact OG-N 3.27Å; Y212-G265 PolarHBondContact N-O 3.28Å; Y212-G265 VanDerWaalsContact N-O 3.09Å; P221-G265 WeakPolarHBondContact CB-O 3.28Å
266	V	98.4	Very high	94.3	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	107.7	168.7	-177.1	0	0	0	0	107.9	I190 L191 D192 Y212 V214 M268 H284	I190-V266 PolarHBondContact O-N 2.96Å; L191-V266 HydrophobicContact CD2-CB 3.58Å; L191-V266 HydrophobicContact CD2-CG1 4.36Å; L191-V266 HydrophobicContact CD2-CG2 3.53Å; D192-V266 PolarHBondContact N-O 2.95Å; Y212-V266 CarbonylContact O-C 3.56Å; Y212-V266 VanDerWaalsContact O-CA 3.25Å; Y212-V266 WeakPolarHBondContact O-CA 3.34Å; V214-V266 HydrophobicContact CG2-CG1 3.57Å; V266-M268 HydrophobicContact CG1-CB 4.45Å; V266-M268 HydrophobicContact CG1-CG 4.38Å; V266-M268 PolarHBondContact O-N 2.83Å; V266-H284 HydrophobicContact CG2-CB 4.33Å
267	R	97.8	Very high	94	Very high	15 Å²	15	39.4 Å²	39.4	6%	0.057	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	107.5	174.7	176.2	164.5	176.3	-86.8	-5.9	108.4	D193 Y212 D213 V214 N215 S216 D270	D193-R267 WeakPolarHBondContact O-CG 3.17Å; Y212-R267 PolarHBondContact O-N 3.2Å; D213-R267 HydrophobicContact CB-CB 4.36Å; D213-R267 VanDerWaalsContact CG-NH1 3.28Å; D213-R267 IonicContact OD1-NH1 3.27Å; D213-R267 PolarHBondContact OD1-NH1 3.25Å; D213-R267 VanDerWaalsContact OD1-NH1 3.14Å; D213-R267 IonicContact OD2-CZ 2.66Å; D213-R267 IonicContact OD2-NH1 3.56Å; D213-R267 PolarHBondContact OD2-NH1 3.47Å; V214-R267 PolarHBondContact N-O 3.41Å; N215-R267 PolarHBondContact N-O 3.24Å; N215-R267 WeakPolarHBondContact OD1-CG 3.25Å; N215-R267 PolarHBondContact OD1-O 2.88Å; S216-R267 PolarHBondContact OG-NH1 2.72Å; R267-D270 IonicContact CZ-OD2 3.54Å; R267-D270 IonicContact NE-OD2 3.13Å; R267-D270 IonicContact NH2-OD2 3.53Å; R267-D270 PolarHBondContact NH2-OD2 3.35Å
268	M	94.5	Very high	93.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.216	C	C	.	.			trans	-138.9	-18.9	-178.4	57.6	80.1	64.3	0	0	114.5	D192 V214 N215 V266 V273 E278 W296	D192-M268 PolarHBondContact O-N 3.1Å; V214-M268 HydrophobicContact CB-CB 4.11Å; N215-M268 PolarHBondContact ND2-O 2.81Å; N215-M268 WeakPolarHBondContact OD1-CA 3.3Å; N215-M268 PolarHBondContact OD1-N 2.87Å; N215-M268 PolarHBondContact OD1-O 3.01Å; V266-M268 HydrophobicContact CG1-CB 4.45Å; V266-M268 HydrophobicContact CG1-CG 4.38Å; V266-M268 PolarHBondContact O-N 2.83Å; M268-V273 HydrophobicContact CE-CG1 3.94Å; M268-E278 HydrophobicContact CE-CG 4.25Å; M268-W296 HydrophobicContact CE-CD2 4.41Å; M268-W296 HydrophobicContact CE-CH2 3.91Å; M268-W296 HydrophobicContact CE-CZ2 3.6Å; M268-W296 HydrophobicContact CE-CZ3 4.41Å; M268-W296 HydrophobicContact SD-CD2 4.5Å; M268-W296 HydrophobicContact SD-CZ2 4.09Å
269	L	92.6	Very high	93.5	Very high	56 Å²	56	41.6 Å²	41.6	29%	0.293	22%	0.223	S	C	.	.	S	Bend	trans	-87.2	-12.7	178.8	-62	-178.2	0	0	0	115.4	D192 D193 G271 V273 W296	D192-L269 PolarHBondContact O-N 2.83Å; D193-L269 HydrophobicContact CB-CB 4.33Å; L269-G271 PolarHBondContact O-N 3.25Å; L269-V273 HydrophobicContact CD2-CG2 4.11Å; L269-W296 HydrophobicContact CD1-CB 4.12Å; L269-W296 HydrophobicContact CD1-CG 4.26Å; L269-W296 HydrophobicContact CD2-CB 4.03Å; L269-W296 HydrophobicContact CD2-CD2 4.41Å; L269-W296 HydrophobicContact CD2-CG 3.92Å
270	D	89.4	Confident	93.3	Very high	19 Å²	19	44.6 Å²	44.6	10%	0.102	23%	0.234	C	C	.	.	S	Bend	trans	-89	54.7	-175.8	-172.3	31.3	0	0	0	112.3	N215 R224 N234 R267	N215-D270 PolarHBondContact OD1-N 2.66Å; N215-D270 VanDerWaalsContact OD1-N 3.16Å; R224-D270 VanDerWaalsContact CB-OD2 3.29Å; R224-D270 WeakPolarHBondContact CB-OD2 3.5Å; R224-D270 IonicContact CZ-OD1 3.83Å; R224-D270 IonicContact CZ-OD2 2.93Å; R224-D270 IonicContact NE-OD1 3.58Å; R224-D270 IonicContact NE-OD2 3.88Å; R224-D270 PolarHBondContact NE-OD2 2.84Å; R224-D270 IonicContact NH2-OD1 3.1Å; R224-D270 PolarHBondContact NH2-OD1 3.03Å; R224-D270 IonicContact NH2-OD2 3.23Å; R224-D270 PolarHBondContact NH2-OD2 3.46Å; N234-D270 PolarHBondContact ND2-OD1 3.13Å; N234-D270 PolarHBondContact ND2-OD2 3.41Å; N234-D270 PolarHBondContact OD1-OD1 2.92Å; R267-D270 IonicContact CZ-OD2 3.54Å; R267-D270 IonicContact NE-OD2 3.13Å; R267-D270 IonicContact NH2-OD2 3.53Å; R267-D270 PolarHBondContact NH2-OD2 3.35Å
271	G	84.2	Confident	93.2	Very high	44 Å²	44	37.9 Å²	37.9	45%	0.454	21%	0.209	S	C	.	.	S	Bend	trans	169.7	-173.2	-178.7	0	0	0	0	0	112	L269 V273	L269-G271 PolarHBondContact O-N 3.25Å; G271-V273 PolarHBondContact O-N 2.71Å
272	D	85.6	Confident	93.2	Very high	152 Å²	152	37.9 Å²	37.9	81%	0.813	21%	0.209	S	C	*	.			trans	-66.4	123.1	172.5	-63.3	-38.3	0	0	0	109.9	M277	D272-M277 VanDerWaalsContact O-CE 3.26Å; D272-M277 WeakPolarHBondContact O-CE 3.34Å; D272-M277 VanDerWaalsContact O-SD 3.37Å
273	V	84.8	Confident	93	Very high	57 Å²	57	34.9 Å²	34.9	35%	0.345	20%	0.204	S	C	.	.			trans	-88.6	145.4	178.8	-174.5	0	0	0	0	110.4	M268 L269 G271 E278	M268-V273 HydrophobicContact CE-CG1 3.94Å; L269-V273 HydrophobicContact CD2-CG2 4.11Å; G271-V273 PolarHBondContact O-N 2.71Å; V273-E278 HydrophobicContact CG1-CG 3.79Å
274	T	89.3	Confident	93	Very high	65 Å²	65	36.1 Å²	36.1	40%	0.399	21%	0.209	S	C	.	.			trans	-144	154.9	177.5	65	0	0	0	0	112	A276 M277 E278	T274-A276 PolarHBondContact O-N 3.3Å; T274-M277 HydrophobicContact CG2-SD 4.39Å; T274-M277 WeakPolarHBondContact O-CA 3.43Å; T274-M277 WeakPolarHBondContact O-CB 3.37Å; T274-M277 PolarHBondContact O-N 3.26Å; T274-M277 WeakPolarHBondContact OG1-CG 3.47Å; T274-M277 PolarHBondContact OG1-N 3.24Å; T274-M277 PolarHBondContact OG1-SD 3.39Å; T274-E278 WeakPolarHBondContact O-CG 3.48Å; T274-E278 PolarHBondContact O-N 3.29Å
275	D	90.6	Very high	92.9	Very high	47 Å²	47	40.7 Å²	40.7	25%	0.251	23%	0.231	S	C	.	.	H	α-helix	trans	-45.4	-36.3	173.5	-177.5	29.7	0	0	0	113.4	E278 S279 G309 K310 L311 A312	D275-E278 WeakPolarHBondContact CA-OE2 3.26Å; D275-S279 WeakPolarHBondContact O-CB 3.49Å; D275-S279 PolarHBondContact O-N 3Å; D275-G309 WeakPolarHBondContact OD1-CA 3.27Å; D275-K310 PolarHBondContact OD1-N 2.67Å; D275-K310 PolarHBondContact OD2-N 2.99Å; D275-K310 VanDerWaalsContact OD2-N 3.09Å; D275-L311 WeakPolarHBondContact OD1-CA 3.44Å; D275-L311 WeakPolarHBondContact OD1-CB 3.21Å; D275-L311 PolarHBondContact OD1-N 2.98Å; D275-L311 PolarHBondContact OD2-N 2.85Å; D275-L311 VanDerWaalsContact OD2-N 3.09Å; D275-A312 PolarHBondContact OD1-N 3.37Å
276	A	88.5	Confident	92.8	Very high	55 Å²	55	41.7 Å²	41.7	46%	0.455	24%	0.236	S	C	.	.	H	α-helix	trans	-72	-36.3	176.3	0	0	0	0	0	113.3	T274 R280 L311	T274-A276 PolarHBondContact O-N 3.3Å; A276-R280 VanDerWaalsContact O-CB 3.32Å; A276-R280 WeakPolarHBondContact O-CB 3.43Å; A276-R280 PolarHBondContact O-N 2.82Å; A276-L311 HydrophobicContact CB-CD1 4Å
277	M	91.9	Very high	92.7	Very high	35 Å²	35	46.4 Å²	46.4	17%	0.172	26%	0.258	C	S	.	.	H	α-helix	trans	-75.2	-42.1	177.5	-67.7	167.4	59.5	0	0	111.3	V214 N215 D272 T274 R280 S281	V214-M277 HydrophobicContact CG1-CB 3.6Å; V214-M277 HydrophobicContact CG1-CE 4.26Å; V214-M277 HydrophobicContact CG1-CG 3.7Å; N215-M277 WeakPolarHBondContact ND2-CE 3.37Å; D272-M277 VanDerWaalsContact O-CE 3.26Å; D272-M277 WeakPolarHBondContact O-CE 3.34Å; D272-M277 VanDerWaalsContact O-SD 3.37Å; T274-M277 HydrophobicContact CG2-SD 4.39Å; T274-M277 WeakPolarHBondContact O-CA 3.43Å; T274-M277 WeakPolarHBondContact O-CB 3.37Å; T274-M277 PolarHBondContact O-N 3.26Å; T274-M277 WeakPolarHBondContact OG1-CG 3.47Å; T274-M277 PolarHBondContact OG1-N 3.24Å; T274-M277 PolarHBondContact OG1-SD 3.39Å; M277-R280 PolarHBondContact O-N 3.01Å; M277-S281 WeakPolarHBondContact O-CB 3.25Å; M277-S281 PolarHBondContact O-N 3Å; M277-S281 PolarHBondContact O-OG 3.33Å
278	E	93.2	Very high	92.8	Very high	23 Å²	23	48.2 Å²	48.2	11%	0.107	27%	0.267	C	S	.	.	H	α-helix	trans	-57.5	-53.3	170.1	-65.8	159.9	-163.2	0	0	110.6	M268 V273 T274 D275 R280 S281 L282 W296 A312 Y350	M268-E278 HydrophobicContact CE-CG 4.25Å; V273-E278 HydrophobicContact CG1-CG 3.79Å; T274-E278 WeakPolarHBondContact O-CG 3.48Å; T274-E278 PolarHBondContact O-N 3.29Å; D275-E278 WeakPolarHBondContact CA-OE2 3.26Å; E278-R280 VanDerWaalsContact C-N 3.25Å; E278-R280 PolarHBondContact O-N 2.96Å; E278-S281 WeakPolarHBondContact O-CB 3.49Å; E278-S281 PolarHBondContact O-N 3.26Å; E278-S281 VanDerWaalsContact O-N 3.09Å; E278-L282 WeakPolarHBondContact O-CB 3.45Å; E278-L282 WeakPolarHBondContact O-CG 3.38Å; E278-L282 PolarHBondContact O-N 2.87Å; E278-W296 HydrophobicContact CB-CH2 4.21Å; E278-W296 HydrophobicContact CG-CH2 3.91Å; E278-W296 HydrophobicContact CG-CZ3 3.97Å; E278-A312 HydrophobicContact CB-CB 4.09Å; E278-Y350 PolarHBondContact OE1-OH 3.39Å; E278-Y350 PolarHBondContact OE2-OH 3.28Å
279	S	94.3	Very high	93	Very high	23 Å²	23	48.2 Å²	48.2	16%	0.161	27%	0.267	C	S	.	.	H	α-helix	trans	-56	-39.5	178.1	178.3	0	0	0	0	112.8	D275 S283 L311 A315	D275-S279 WeakPolarHBondContact O-CB 3.49Å; D275-S279 PolarHBondContact O-N 3Å; S279-S283 WeakPolarHBondContact O-CB 3.27Å; S279-S283 PolarHBondContact O-N 3.45Å; S279-S283 VanDerWaalsContact O-N 3.08Å; S279-S283 PolarHBondContact O-OG 3.3Å; S279-L311 VanDerWaalsContact CB-C 3.46Å; S279-L311 VanDerWaalsContact CB-CB 3.44Å; S279-L311 PolarHBondContact OG-O 3.03Å; S279-A315 WeakPolarHBondContact O-CB 3.41Å
280	R	93.3	Very high	93.3	Very high	101 Å²	101	46.6 Å²	46.6	38%	0.381	26%	0.258	S	S	.	.	H	α-helix	trans	-69.6	-41.5	177.4	-173.1	177	-175.5	-173.8	0.4	111.6	Y212 N217 A276 M277 E278 S283 H284	Y212-R280 VanDerWaalsContact CE1-CZ 3.41Å; Y212-R280 PolarHBondContact OH-NH2 3.31Å; N217-R280 PolarHBondContact OD1-NH1 3.22Å; A276-R280 VanDerWaalsContact O-CB 3.32Å; A276-R280 WeakPolarHBondContact O-CB 3.43Å; A276-R280 PolarHBondContact O-N 2.82Å; M277-R280 PolarHBondContact O-N 3.01Å; E278-R280 VanDerWaalsContact C-N 3.25Å; E278-R280 PolarHBondContact O-N 2.96Å; R280-S283 CarbonylContact O-C 3.1Å; R280-S283 PolarHBondContact O-N 3.2Å; R280-H284 PolarHBondContact O-N 2.94Å
281	S	95.8	Very high	93.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.5	-48.7	178.1	-54.3	0	0	0	0	111.5	M277 E278 S283 H284	M277-S281 WeakPolarHBondContact O-CB 3.25Å; M277-S281 PolarHBondContact O-N 3Å; M277-S281 PolarHBondContact O-OG 3.33Å; E278-S281 WeakPolarHBondContact O-CB 3.49Å; E278-S281 PolarHBondContact O-N 3.26Å; E278-S281 VanDerWaalsContact O-N 3.09Å; S281-S283 PolarHBondContact O-N 2.86Å; S281-H284 WeakPolarHBondContact O-CB 3.09Å; S281-H284 PolarHBondContact O-N 3.43Å
282	L	97	Very high	94.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.4	-24.6	176.4	-69.6	168.7	0	0	0	113.4	L191 E278 A312 A315 F316 F331 W333	L191-L282 HydrophobicContact CD1-CD2 3.88Å; L191-L282 HydrophobicContact CD1-CG 4.45Å; E278-L282 WeakPolarHBondContact O-CB 3.45Å; E278-L282 WeakPolarHBondContact O-CG 3.38Å; E278-L282 PolarHBondContact O-N 2.87Å; L282-A312 HydrophobicContact CD1-CB 4.08Å; L282-A315 HydrophobicContact CB-CB 3.65Å; L282-A315 HydrophobicContact CD1-CB 4.31Å; L282-F316 HydrophobicContact CD1-CD2 4.1Å; L282-F316 HydrophobicContact CD1-CE1 4.33Å; L282-F316 HydrophobicContact CD1-CE2 3.77Å; L282-F316 HydrophobicContact CD1-CZ 3.9Å; L282-F316 HydrophobicContact CD2-CD1 4.34Å; L282-F316 HydrophobicContact CD2-CE1 3.72Å; L282-F316 HydrophobicContact CD2-CZ 3.85Å; L282-F331 HydrophobicContact CB-CE1 4.39Å; L282-F331 HydrophobicContact CD2-CD1 3.84Å; L282-F331 HydrophobicContact CD2-CE1 3.75Å; L282-W333 HydrophobicContact CD2-CH2 4.01Å; L282-W333 HydrophobicContact CD2-CZ3 3.89Å
283	S	96.5	Very high	95	Very high	39 Å²	39	36.4 Å²	36.4	27%	0.273	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	3	176.7	-52.3	0	0	0	0	113.7	S279 R280 S281 Q285 A315	S279-S283 WeakPolarHBondContact O-CB 3.27Å; S279-S283 PolarHBondContact O-N 3.45Å; S279-S283 VanDerWaalsContact O-N 3.08Å; S279-S283 PolarHBondContact O-OG 3.3Å; R280-S283 CarbonylContact O-C 3.1Å; R280-S283 PolarHBondContact O-N 3.2Å; S281-S283 PolarHBondContact O-N 2.86Å; S283-Q285 PolarHBondContact O-N 2.95Å; S283-Q285 VanDerWaalsContact O-N 3.14Å; S283-A315 VanDerWaalsContact OG-CB 3.28Å; S283-A315 WeakPolarHBondContact OG-CB 3.39Å
284	H	96.9	Very high	95.7	Very high	26 Å²	26	33.8 Å²	33.8	12%	0.12	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	116.7	-174.6	-172.7	50.1	0	0	0	110.6	S211 Y212 V266 R280 S281 L286 I289 Y292	S211-H284 WeakPolarHBondContact CA-NE2 3.26Å; S211-H284 PolarHBondContact N-NE2 2.85Å; S211-H284 PolarHBondContact O-CE1 2.98Å; S211-H284 VanDerWaalsContact O-CE1 3.32Å; S211-H284 PolarHBondContact O-NE2 3.34Å; Y212-H284 AromaticContact CD2-CE1 3.82Å; Y212-H284 AromaticContact CG-CE1 3.91Å; Y212-H284 PolarHBondContact N-NE2 2.8Å; V266-H284 HydrophobicContact CG2-CB 4.33Å; R280-H284 PolarHBondContact O-N 2.94Å; S281-H284 WeakPolarHBondContact O-CB 3.09Å; S281-H284 PolarHBondContact O-N 3.43Å; H284-L286 PolarHBondContact O-N 2.71Å; H284-I289 VanDerWaalsContact O-CD1 3.3Å; H284-I289 WeakPolarHBondContact O-CD1 2.96Å; H284-Y292 WeakPolarHBondContact O-CE1 3.44Å; H284-Y292 PolarHBondContact O-OH 3.37Å
285	Q	96.7	Very high	95.9	Very high	95 Å²	95	31.6 Å²	31.6	44%	0.444	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	41.3	53.1	178.3	-45.3	-56.2	5.7	0	0	116.2	F209 S283 Q287 H288 I289	F209-Q285 WeakPolarHBondContact O-CG 3.32Å; S283-Q285 PolarHBondContact O-N 2.95Å; S283-Q285 VanDerWaalsContact O-N 3.14Å; Q285-Q287 PolarHBondContact O-N 3.42Å; Q285-H288 HydrophobicContact CB-CB 4.04Å; Q285-H288 PolarHBondContact O-N 2.7Å; Q285-I289 HydrophobicContact CB-CD1 4.36Å; Q285-I289 HydrophobicContact CB-CG1 4.3Å; Q285-I289 PolarHBondContact O-N 3.1Å
286	L	97.1	Very high	96.1	Very high	23 Å²	23	30.8 Å²	30.8	12%	0.12	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.8	-21.4	177.4	-66.8	-178.7	0	0	0	116.2	H284 Y292 N318 G323 R324	H284-L286 PolarHBondContact O-N 2.71Å; L286-Y292 WeakPolarHBondContact CA-OH 3.36Å; L286-Y292 PolarHBondContact N-OH 3.11Å; L286-N318 HydrophobicContact CD1-CB 4.2Å; L286-G323 CarbonylContact O-C 3.52Å; L286-G323 WeakPolarHBondContact O-CA 3.29Å; L286-R324 PolarHBondContact O-N 3.14Å
287	Q	97.6	Very high	96.5	Very high	99 Å²	99	29.9 Å²	29.9	46%	0.463	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-11.9	179.1	-58.4	-54.3	-31.3	0	0	114.5	Q285 M322 R325	Q285-Q287 PolarHBondContact O-N 3.42Å; Q287-M322 PolarHBondContact NE2-O 3.42Å; Q287-R325 VanDerWaalsContact OE1-CA 3.31Å
288	H	98.1	Very high	96.6	Very high	54 Å²	54	29.7 Å²	29.7	25%	0.25	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-42	-176.9	-179.9	91.6	0	0	0	112	V187 D207 F209 R262 Q285	V187-H288 WeakPolarHBondContact CB-O 3.39Å; V187-H288 VanDerWaalsContact CG2-O 3.26Å; V187-H288 WeakPolarHBondContact CG2-O 3.38Å; D207-H288 IonicContact OD1-NE2 3.38Å; D207-H288 IonicContact OD2-CD2 4Å; D207-H288 IonicContact OD2-CE1 3.4Å; D207-H288 PolarHBondContact OD2-CE1 3Å; D207-H288 IonicContact OD2-NE2 2.8Å; D207-H288 PolarHBondContact OD2-NE2 2.61Å; F209-H288 WeakPolarHBondContact CB-NE2 3.5Å; R262-H288 PolarHBondContact NH1-CE1 2.88Å; Q285-H288 HydrophobicContact CB-CB 4.04Å; Q285-H288 PolarHBondContact O-N 2.7Å
289	I	98.7	Very high	96.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.178	C	C	.	.			trans	-85.1	129.4	-179.4	-53.7	179	0	0	0	109.4	V187 T189 A210 H284 Q285 V291 Y292	V187-I289 HydrophobicContact CG1-CB 4.29Å; V187-I289 HydrophobicContact CG1-CG1 4.09Å; V187-I289 HydrophobicContact CG1-CG2 4.36Å; T189-I289 HydrophobicContact CG2-CD1 3.85Å; T189-I289 HydrophobicContact CG2-CG2 3.78Å; A210-I289 HydrophobicContact CB-CD1 4.23Å; A210-I289 HydrophobicContact CB-CG1 4.12Å; H284-I289 VanDerWaalsContact O-CD1 3.3Å; H284-I289 WeakPolarHBondContact O-CD1 2.96Å; Q285-I289 HydrophobicContact CB-CD1 4.36Å; Q285-I289 HydrophobicContact CB-CG1 4.3Å; Q285-I289 PolarHBondContact O-N 3.1Å; I289-V291 WeakPolarHBondContact CG2-O 3.25Å; I289-Y292 HydrophobicContact CB-CE1 4.34Å; I289-Y292 HydrophobicContact CB-CE2 3.98Å; I289-Y292 HydrophobicContact CD1-CE1 4.12Å; I289-Y292 HydrophobicContact CG2-CD1 4.37Å; I289-Y292 HydrophobicContact CG2-CD2 4.04Å; I289-Y292 HydrophobicContact CG2-CE1 4.05Å; I289-Y292 HydrophobicContact CG2-CE2 3.66Å; I289-Y292 HydrophobicContact CG2-CG 4.36Å
290	D	98.8	Very high	96.8	Very high	21 Å²	21	36.2 Å²	36.2	11%	0.112	19%	0.186	C	C	.	.			trans	-89.5	-44.9	176.2	-70.1	-79.1	0	0	0	112.3	V186 V187 R324 I330 L424	V186-D290 WeakPolarHBondContact CA-OD2 3.32Å; V186-D290 HydrophobicContact CG1-CB 3.72Å; V187-D290 PolarHBondContact N-OD2 2.89Å; V187-D290 VanDerWaalsContact N-OD2 3.1Å; V187-D290 WeakPolarHBondContact O-CA 3.24Å; V187-D290 WeakPolarHBondContact O-CB 3.34Å; V187-D290 PolarHBondContact O-N 2.67Å; D290-R324 HydrophobicContact CB-CG 4.33Å; D290-R324 WeakPolarHBondContact O-CD 3.44Å; D290-R324 WeakPolarHBondContact OD1-CD 3.39Å; D290-R324 WeakPolarHBondContact OD1-CG 3.23Å; D290-R324 IonicContact OD1-CZ 3.97Å; D290-R324 IonicContact OD1-NE 3.79Å; D290-R324 PolarHBondContact OD1-NE 2.74Å; D290-I330 PolarHBondContact O-N 2.79Å; D290-L424 HydrophobicContact CB-CD1 3.81Å
291	V	98.9	Very high	97	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	133.6	-172.2	-170.3	0	0	0	0	110.4	V186 V187 V188 T189 I289 I330 V332 A417 C420 L424	V186-V291 HydrophobicContact CG1-CG2 4.42Å; V187-V291 PolarHBondContact O-N 3.15Å; V188-V291 CarbonylContact C-O 3.54Å; V188-V291 VanDerWaalsContact CA-O 3.27Å; V188-V291 WeakPolarHBondContact CA-O 3.24Å; V188-V291 HydrophobicContact CB-CB 4.43Å; V188-V291 HydrophobicContact CG1-CB 4.09Å; V188-V291 HydrophobicContact CG1-CG1 4.32Å; V188-V291 HydrophobicContact CG2-CB 4.08Å; V188-V291 HydrophobicContact CG2-CG2 4.41Å; T189-V291 PolarHBondContact N-O 3.22Å; I289-V291 WeakPolarHBondContact CG2-O 3.25Å; V291-I330 CarbonylContact C-O 3.58Å; V291-I330 WeakPolarHBondContact CA-O 3.42Å; V291-I330 HydrophobicContact CB-CB 4.37Å; V291-I330 HydrophobicContact CG1-CB 4.18Å; V291-I330 HydrophobicContact CG1-CG2 4.24Å; V291-I330 HydrophobicContact CG2-CB 4.12Å; V291-I330 HydrophobicContact CG2-CG1 4.27Å; V291-V332 HydrophobicContact CG1-CG2 3.9Å; V291-A417 HydrophobicContact CG1-CB 3.9Å; V291-C420 HydrophobicContact CG1-CB 4.41Å; V291-C420 HydrophobicContact CG2-CB 4.31Å; V291-L424 HydrophobicContact CG2-CD1 3.87Å
292	Y	98.9	Very high	97	Very high	1 Å²	1	32 Å²	32	0%	0.004	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	120.2	175.4	-61.6	-106.5	0	0	0	106.8	T189 L191 H284 L286 I289 S329 I330 F331 V332	T189-Y292 HydrophobicContact CG2-CD1 3.44Å; T189-Y292 VanDerWaalsContact CG2-CD1 3.44Å; T189-Y292 HydrophobicContact CG2-CE1 3.91Å; T189-Y292 HydrophobicContact CG2-CG 4.02Å; L191-Y292 HydrophobicContact CD1-CD1 4.21Å; L191-Y292 HydrophobicContact CD2-CD1 4.23Å; L191-Y292 HydrophobicContact CG-CD1 4.49Å; H284-Y292 WeakPolarHBondContact O-CE1 3.44Å; H284-Y292 PolarHBondContact O-OH 3.37Å; L286-Y292 WeakPolarHBondContact CA-OH 3.36Å; L286-Y292 PolarHBondContact N-OH 3.11Å; I289-Y292 HydrophobicContact CB-CE1 4.34Å; I289-Y292 HydrophobicContact CB-CE2 3.98Å; I289-Y292 HydrophobicContact CD1-CE1 4.12Å; I289-Y292 HydrophobicContact CG2-CD1 4.37Å; I289-Y292 HydrophobicContact CG2-CD2 4.04Å; I289-Y292 HydrophobicContact CG2-CE1 4.05Å; I289-Y292 HydrophobicContact CG2-CE2 3.66Å; I289-Y292 HydrophobicContact CG2-CG 4.36Å; Y292-S329 WeakPolarHBondContact CE2-OG 3.26Å; Y292-I330 PolarHBondContact N-O 2.81Å; Y292-F331 HydrophobicContact CD1-CE1 4.25Å; Y292-F331 HydrophobicContact CD2-CD1 4.2Å; Y292-F331 AromaticContact CD2-CE1 3.93Å; Y292-F331 HydrophobicContact CD2-CE1 3.93Å; Y292-F331 HydrophobicContact CE2-CE1 4.48Å; Y292-F331 AromaticContact CG-CD1 3.97Å; Y292-F331 HydrophobicContact CG-CD1 3.97Å; Y292-F331 AromaticContact CG-CE1 3.83Å; Y292-F331 HydrophobicContact CG-CE1 3.83Å; Y292-V332 PolarHBondContact O-N 3.07Å
293	S	98.9	Very high	97	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.007	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	130.5	173.9	-162.6	0	0	0	0	109.2	T189 L191	T189-S293 PolarHBondContact O-N 3.2Å; L191-S293 PolarHBondContact N-O 2.87Å
294	A	98.1	Very high	97	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.008	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	146.2	177	0	0	0	0	0	110.7	L191 W296 V332 W333 A334	L191-A294 HydrophobicContact CB-CB 4.36Å; A294-W296 HydrophobicContact CB-CZ2 4.48Å; A294-V332 PolarHBondContact N-O 2.95Å; A294-W333 HydrophobicContact CB-CD2 3.87Å; A294-W333 HydrophobicContact CB-CE3 3.68Å; A294-W333 HydrophobicContact CB-CH2 3.5Å; A294-W333 VanDerWaalsContact CB-CH2 3.5Å; A294-W333 HydrophobicContact CB-CZ2 3.68Å; A294-W333 HydrophobicContact CB-CZ3 3.49Å; A294-W333 VanDerWaalsContact CB-CZ3 3.49Å; A294-W333 WeakPolarHBondContact O-CA 3.46Å; A294-A334 PolarHBondContact O-N 2.86Å; A294-A334 VanDerWaalsContact O-N 3.15Å
295	S	94.4	Very high	96.9	Very high	20 Å²	20	36.4 Å²	36.4	14%	0.14	19%	0.191	C	C	.	.			trans	-136.4	31.8	-174.2	-62.8	0	0	0	0	111.7	S410	S295-S410 WeakPolarHBondContact OG-CA 3.38Å; S295-S410 PolarHBondContact OG-O 2.65Å; S295-S410 VanDerWaalsContact OG-O 3.11Å
296	W	95.6	Very high	96.8	Very high	29 Å²	29	36.4 Å²	36.4	11%	0.11	19%	0.194	C	C	.	.			trans	-131.4	161	-176.8	50.9	-96	0	0	0	111.1	L191 M268 L269 E278 A294 W333 Y350	L191-W296 HydrophobicContact CB-CZ2 4.47Å; L191-W296 PolarHBondContact O-NE1 3.37Å; M268-W296 HydrophobicContact CE-CD2 4.41Å; M268-W296 HydrophobicContact CE-CH2 3.91Å; M268-W296 HydrophobicContact CE-CZ2 3.6Å; M268-W296 HydrophobicContact CE-CZ3 4.41Å; M268-W296 HydrophobicContact SD-CD2 4.5Å; M268-W296 HydrophobicContact SD-CZ2 4.09Å; L269-W296 HydrophobicContact CD1-CB 4.12Å; L269-W296 HydrophobicContact CD1-CG 4.26Å; L269-W296 HydrophobicContact CD2-CB 4.03Å; L269-W296 HydrophobicContact CD2-CD2 4.41Å; L269-W296 HydrophobicContact CD2-CG 3.92Å; E278-W296 HydrophobicContact CB-CH2 4.21Å; E278-W296 HydrophobicContact CG-CH2 3.91Å; E278-W296 HydrophobicContact CG-CZ3 3.97Å; A294-W296 HydrophobicContact CB-CZ2 4.48Å; W296-W333 AromaticContact CD2-CZ2 3.99Å; W296-W333 HydrophobicContact CD2-CZ2 3.99Å; W296-W333 AromaticContact CE2-CZ2 3.99Å; W296-W333 AromaticContact CE3-CZ2 3.92Å; W296-W333 HydrophobicContact CE3-CZ2 3.92Å; W296-W333 AromaticContact CH2-CH2 3.74Å; W296-W333 HydrophobicContact CH2-CH2 3.74Å; W296-W333 AromaticContact CH2-CZ2 3.9Å; W296-W333 HydrophobicContact CH2-CZ2 3.9Å; W296-W333 AromaticContact CZ2-CH2 3.68Å; W296-W333 HydrophobicContact CZ2-CH2 3.68Å; W296-W333 AromaticContact CZ2-CZ2 3.96Å; W296-W333 HydrophobicContact CZ2-CZ2 3.96Å; W296-W333 HydrophobicContact CZ3-CH2 4.2Å; W296-W333 AromaticContact CZ3-CZ2 3.89Å; W296-W333 HydrophobicContact CZ3-CZ2 3.89Å; W296-W333 PolarHBondContact O-NE1 3.03Å; W296-Y350 HydrophobicContact CH2-CE1 4.13Å; W296-Y350 HydrophobicContact CZ3-CD1 4.04Å; W296-Y350 AromaticContact CZ3-CE1 3.57Å; W296-Y350 HydrophobicContact CZ3-CE1 3.57Å; W296-Y350 AromaticContact CZ3-CZ 3.93Å
297	G	95.1	Very high	96.7	Very high	37 Å²	37	35.6 Å²	35.6	38%	0.381	19%	0.191	S	C	.	.			trans	-179.1	-152	-176.9	0	0	0	0	0	109.9
298	P	95	Very high	96.5	Very high	30 Å²	30	31.2 Å²	31.2	20%	0.195	17%	0.171	C	C	.	.	S	Bend	trans	-63.2	177.7	169.2	-18.9	33.3	0	0	0	112.9	D300 T304 D306 D348	P298-D300 PolarHBondContact O-N 2.97Å; P298-T304 HydrophobicContact CB-CG2 3.7Å; P298-D306 HydrophobicContact CB-CB 4.27Å; P298-D306 HydrophobicContact CG-CB 4.03Å; P298-D306 WeakPolarHBondContact CG-O 3.46Å; P298-D348 WeakPolarHBondContact CD-OD1 3.37Å; P298-D348 HydrophobicContact CG-CB 4.34Å
299	E	93.9	Very high	96.2	Very high	123 Å²	123	29.8 Å²	29.8	58%	0.575	17%	0.171	S	C	*	.			trans	-73.6	122.7	176.3	-170.7	-161.9	163.2	0	0	110.3	D301 K303	E299-D301 HydrophobicContact CB-CB 4.38Å; E299-D301 VanDerWaalsContact CB-OD2 3.24Å; E299-D301 WeakPolarHBondContact CB-OD2 3.44Å; E299-D301 VanDerWaalsContact CD-OD2 3.25Å; E299-D301 HydrophobicContact CG-CB 3.86Å; E299-D301 WeakPolarHBondContact CG-OD2 3.45Å; E299-D301 PolarHBondContact O-N 3.24Å; E299-K303 IonicContact OE1-NZ 2.74Å; E299-K303 IonicContact OE2-NZ 2.79Å; E299-K303 PolarHBondContact OE2-NZ 2.98Å
300	D	97	Very high	95.9	Very high	60 Å²	60	36 Å²	36	32%	0.321	20%	0.198	S	C	.	.	S	Bend	trans	-67.3	46.6	-177.6	-70.5	-9.1	0	0	0	114.1	P298 N337 G338 S341	P298-D300 PolarHBondContact O-N 2.97Å; D300-N337 VanDerWaalsContact CG-N 3.33Å; D300-N337 WeakPolarHBondContact OD2-CA 3.36Å; D300-N337 VanDerWaalsContact OD2-CB 3.22Å; D300-N337 WeakPolarHBondContact OD2-CB 3.31Å; D300-N337 PolarHBondContact OD2-N 2.99Å; D300-N337 PolarHBondContact OD2-ND2 2.86Å; D300-G338 WeakPolarHBondContact O-CA 3.22Å; D300-S341 PolarHBondContact O-OG 3Å
301	D	97.1	Very high	95.6	Very high	12 Å²	12	38.5 Å²	38.5	6%	0.064	21%	0.211	C	C	.	.	S	Bend	trans	-106.8	-12.1	-154.4	56.4	37.3	0	0	0	115.6	E299 K303 T304 S341 D343 K574	E299-D301 HydrophobicContact CB-CB 4.38Å; E299-D301 VanDerWaalsContact CB-OD2 3.24Å; E299-D301 WeakPolarHBondContact CB-OD2 3.44Å; E299-D301 VanDerWaalsContact CD-OD2 3.25Å; E299-D301 HydrophobicContact CG-CB 3.86Å; E299-D301 WeakPolarHBondContact CG-OD2 3.45Å; E299-D301 PolarHBondContact O-N 3.24Å; D301-K303 HydrophobicContact CB-CD 4.49Å; D301-K303 HydrophobicContact CB-CG 4.04Å; D301-K303 WeakPolarHBondContact OD1-CA 3.3Å; D301-K303 WeakPolarHBondContact OD1-CG 3.38Å; D301-K303 PolarHBondContact OD1-N 3.23Å; D301-K303 WeakPolarHBondContact OD2-CE 3.46Å; D301-K303 IonicContact OD2-NZ 3.81Å; D301-K303 PolarHBondContact OD2-NZ 2.84Å; D301-T304 WeakPolarHBondContact OD1-CB 3.42Å; D301-T304 PolarHBondContact OD1-N 3.26Å; D301-T304 PolarHBondContact OD1-OG1 3.08Å; D301-T304 WeakPolarHBondContact OD2-CB 3.41Å; D301-T304 PolarHBondContact OD2-OG1 3.44Å; D301-S341 WeakPolarHBondContact O-CB 3.49Å; D301-S341 PolarHBondContact O-OG 3.24Å; D301-D343 PolarHBondContact N-OD2 2.78Å; D301-K574 WeakPolarHBondContact O-CD 3.37Å; D301-K574 PolarHBondContact O-NZ 3.5Å
302	G	97.1	Very high	95.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.211	C	C	.	.	S	Bend	trans	79.8	11	-176.5	0	0	0	0	0	115.3	D343 K574 D575	G302-D343 WeakPolarHBondContact CA-OD2 3.3Å; G302-D343 PolarHBondContact N-OD2 3.23Å; G302-K574 WeakPolarHBondContact O-CB 3.3Å; G302-D575 WeakPolarHBondContact O-CB 3.35Å; G302-D575 PolarHBondContact O-N 3.45Å; G302-D575 VanDerWaalsContact O-N 3.15Å
303	K	96.6	Very high	95.1	Very high	89 Å²	89	40.8 Å²	40.8	39%	0.387	22%	0.222	S	C	.	.	S	Bend	trans	-128.8	-31.8	179.9	57.3	166.3	-171.1	-179.1	0	113	E299 D301 R551 R572	E299-K303 IonicContact OE1-NZ 2.74Å; E299-K303 IonicContact OE2-NZ 2.79Å; E299-K303 PolarHBondContact OE2-NZ 2.98Å; D301-K303 HydrophobicContact CB-CD 4.49Å; D301-K303 HydrophobicContact CB-CG 4.04Å; D301-K303 WeakPolarHBondContact OD1-CA 3.3Å; D301-K303 WeakPolarHBondContact OD1-CG 3.38Å; D301-K303 PolarHBondContact OD1-N 3.23Å; D301-K303 WeakPolarHBondContact OD2-CE 3.46Å; D301-K303 IonicContact OD2-NZ 3.81Å; D301-K303 PolarHBondContact OD2-NZ 2.84Å; K303-R551 PolarHBondContact O-NH2 3.02Å; K303-R572 PolarHBondContact O-NH2 2.98Å
304	T	95.7	Very high	94.9	Very high	37 Å²	37	45 Å²	45	23%	0.227	24%	0.242	C	C	.	.			trans	-78.1	151.6	-169	-68.6	0	0	0	0	112.4	P298 D301 D306 R572	P298-T304 HydrophobicContact CB-CG2 3.7Å; D301-T304 WeakPolarHBondContact OD1-CB 3.42Å; D301-T304 PolarHBondContact OD1-N 3.26Å; D301-T304 PolarHBondContact OD1-OG1 3.08Å; D301-T304 WeakPolarHBondContact OD2-CB 3.41Å; D301-T304 PolarHBondContact OD2-OG1 3.44Å; T304-D306 HydrophobicContact CG2-CB 4.31Å; T304-R572 VanDerWaalsContact O-CZ 3.29Å; T304-R572 PolarHBondContact O-NH1 2.8Å; T304-R572 PolarHBondContact O-NH2 2.82Å
305	V	96.7	Very high	94.8	Very high	33 Å²	33	45 Å²	45	20%	0.2	24%	0.242	C	C	.	.			trans	-143.2	106.4	170.9	-177.4	0	0	0	0	106.5	C347 F581 W584	V305-C347 HydrophobicContact CG2-CB 4.2Å; V305-F581 HydrophobicContact CG1-CD1 4.23Å; V305-F581 HydrophobicContact CG1-CE1 3.9Å; V305-F581 HydrophobicContact CG2-CE1 3.8Å; V305-F581 HydrophobicContact CG2-CZ 4.34Å; V305-W584 HydrophobicContact CG1-CD2 4Å; V305-W584 HydrophobicContact CG1-CE3 3.88Å; V305-W584 HydrophobicContact CG1-CH2 3.72Å; V305-W584 HydrophobicContact CG1-CZ2 3.85Å; V305-W584 HydrophobicContact CG1-CZ3 3.72Å
306	D	94.5	Very high	94.9	Very high	95 Å²	95	44.1 Å²	44.1	51%	0.508	24%	0.235	S	C	.	.	B	Isolated β-bridge	trans	-155.5	168.8	-177.3	-156.9	3.7	0	0	0	111	P298 T304 C347 G349	P298-D306 HydrophobicContact CB-CB 4.27Å; P298-D306 HydrophobicContact CG-CB 4.03Å; P298-D306 WeakPolarHBondContact CG-O 3.46Å; T304-D306 HydrophobicContact CG2-CB 4.31Å; D306-C347 PolarHBondContact N-O 2.93Å; D306-G349 PolarHBondContact O-N 3.48Å
307	G	94.3	Very high	94.9	Very high	5 Å²	5	47.5 Å²	47.5	5%	0.052	25%	0.248	C	C	.	.			trans	-165.2	-173.6	-174.5	0	0	0	0	0	113.6	G309 Y350	G307-G309 PolarHBondContact O-N 3.16Å; G307-Y350 VanDerWaalsContact C-CE2 3.43Å
308	P	93.7	Very high	95	Very high	7 Å²	7	48.3 Å²	48.3	5%	0.045	24%	0.244	C	C	.	.			trans	-57.6	130.9	-178.5	21.9	-32.7	0	0	0	111.4	A312 Q313 F316 G349 Y350	P308-A312 HydrophobicContact CB-CB 3.6Å; P308-Q313 HydrophobicContact CB-CG 3.99Å; P308-Q313 HydrophobicContact CG-CG 3.89Å; P308-Q313 WeakPolarHBondContact O-CG 3.2Å; P308-Q313 PolarHBondContact O-NE2 2.99Å; P308-F316 HydrophobicContact CB-CD2 4.3Å; P308-F316 HydrophobicContact CB-CE2 4.04Å; P308-F316 HydrophobicContact CG-CD2 4.44Å; P308-F316 HydrophobicContact CG-CE2 4.21Å; P308-G349 VanDerWaalsContact CD-O 3.32Å; P308-G349 WeakPolarHBondContact CD-O 3.42Å; P308-Y350 VanDerWaalsContact CA-CZ 3.49Å; P308-Y350 WeakPolarHBondContact CA-OH 3.31Å; P308-Y350 HydrophobicContact CB-CD1 4.08Å; P308-Y350 HydrophobicContact CB-CE1 3.67Å; P308-Y350 HydrophobicContact CG-CD1 4.36Å; P308-Y350 HydrophobicContact CG-CE1 4.38Å
309	G	90.9	Very high	95.1	Very high	24 Å²	24	46.9 Å²	46.9	25%	0.247	24%	0.235	C	C	.	.			trans	-64.4	-176.1	172.8	0	0	0	0	0	112.9	D275 G307 L311 A312 Q313	D275-G309 WeakPolarHBondContact OD1-CA 3.27Å; G307-G309 PolarHBondContact O-N 3.16Å; G309-L311 VanDerWaalsContact C-N 3.3Å; G309-L311 PolarHBondContact O-N 2.78Å; G309-A312 PolarHBondContact O-N 3.42Å; G309-Q313 WeakPolarHBondContact O-CB 3.31Å; G309-Q313 VanDerWaalsContact O-CG 3.31Å; G309-Q313 WeakPolarHBondContact O-CG 3.32Å; G309-Q313 PolarHBondContact O-N 3.18Å
310	K	92.9	Very high	95.3	Very high	132 Å²	132	41.7 Å²	41.7	57%	0.574	21%	0.211	S	C	*	.	H	α-helix	trans	-63.4	-39.7	-174.8	-176.3	-178.8	175.7	-174.4	0	111.1	D275 M314	D275-K310 PolarHBondContact OD1-N 2.67Å; D275-K310 PolarHBondContact OD2-N 2.99Å; D275-K310 VanDerWaalsContact OD2-N 3.09Å; K310-M314 HydrophobicContact CG-SD 4.31Å; K310-M314 VanDerWaalsContact O-CG 3.28Å; K310-M314 WeakPolarHBondContact O-CG 3.35Å; K310-M314 PolarHBondContact O-N 2.86Å; K310-M314 VanDerWaalsContact O-N 3.14Å
311	L	93.1	Very high	95.3	Very high	72 Å²	72	44.5 Å²	44.5	38%	0.377	22%	0.222	S	C	.	.	H	α-helix	trans	-75.1	-41.9	-178.7	-55.5	175.2	0	0	0	110.4	D275 A276 S279 G309 Q313 M314 A315	D275-L311 WeakPolarHBondContact OD1-CA 3.44Å; D275-L311 WeakPolarHBondContact OD1-CB 3.21Å; D275-L311 PolarHBondContact OD1-N 2.98Å; D275-L311 PolarHBondContact OD2-N 2.85Å; D275-L311 VanDerWaalsContact OD2-N 3.09Å; A276-L311 HydrophobicContact CB-CD1 4Å; S279-L311 VanDerWaalsContact CB-C 3.46Å; S279-L311 VanDerWaalsContact CB-CB 3.44Å; S279-L311 PolarHBondContact OG-O 3.03Å; G309-L311 VanDerWaalsContact C-N 3.3Å; G309-L311 PolarHBondContact O-N 2.78Å; L311-Q313 PolarHBondContact O-N 2.67Å; L311-M314 CarbonylContact O-C 3.55Å; L311-M314 WeakPolarHBondContact O-CB 3.36Å; L311-M314 PolarHBondContact O-N 3.47Å; L311-M314 VanDerWaalsContact O-N 3.12Å; L311-A315 WeakPolarHBondContact O-CB 3.48Å; L311-A315 PolarHBondContact O-N 3.43Å
312	A	92.3	Very high	95.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.1	-41	174.2	0	0	0	0	0	112.5	D275 E278 L282 P308 G309 M314 A315 F316	D275-A312 PolarHBondContact OD1-N 3.37Å; E278-A312 HydrophobicContact CB-CB 4.09Å; L282-A312 HydrophobicContact CD1-CB 4.08Å; P308-A312 HydrophobicContact CB-CB 3.6Å; G309-A312 PolarHBondContact O-N 3.42Å; A312-M314 VanDerWaalsContact C-N 3.34Å; A312-M314 PolarHBondContact O-N 2.91Å; A312-A315 WeakPolarHBondContact O-CB 3.32Å; A312-A315 PolarHBondContact O-N 2.66Å; A312-F316 VanDerWaalsContact O-CD2 3.28Å; A312-F316 WeakPolarHBondContact O-CD2 3.25Å; A312-F316 PolarHBondContact O-N 2.94Å
313	Q	93.4	Very high	95.3	Very high	50 Å²	50	48.6 Å²	48.6	23%	0.234	24%	0.242	C	C	.	.	H	α-helix	trans	-61.9	-39.7	171.7	-74.8	177.8	55.3	0	0	112.5	P308 G309 L311 R317	P308-Q313 HydrophobicContact CB-CG 3.99Å; P308-Q313 HydrophobicContact CG-CG 3.89Å; P308-Q313 WeakPolarHBondContact O-CG 3.2Å; P308-Q313 PolarHBondContact O-NE2 2.99Å; G309-Q313 WeakPolarHBondContact O-CB 3.31Å; G309-Q313 VanDerWaalsContact O-CG 3.31Å; G309-Q313 WeakPolarHBondContact O-CG 3.32Å; G309-Q313 PolarHBondContact O-N 3.18Å; L311-Q313 PolarHBondContact O-N 2.67Å; Q313-R317 WeakPolarHBondContact O-CG 3.38Å; Q313-R317 PolarHBondContact O-N 2.9Å; Q313-R317 VanDerWaalsContact O-N 3.15Å
314	M	94.6	Very high	95.4	Very high	90 Å²	90	44.4 Å²	44.4	44%	0.443	22%	0.223	S	C	.	.	H	α-helix	trans	-67.1	-36.2	173.6	-72.9	173.7	60.9	0	0	111.8	K310 L311 A312 R317 N318	K310-M314 HydrophobicContact CG-SD 4.31Å; K310-M314 VanDerWaalsContact O-CG 3.28Å; K310-M314 WeakPolarHBondContact O-CG 3.35Å; K310-M314 PolarHBondContact O-N 2.86Å; K310-M314 VanDerWaalsContact O-N 3.14Å; L311-M314 CarbonylContact O-C 3.55Å; L311-M314 WeakPolarHBondContact O-CB 3.36Å; L311-M314 PolarHBondContact O-N 3.47Å; L311-M314 VanDerWaalsContact O-N 3.12Å; A312-M314 VanDerWaalsContact C-N 3.34Å; A312-M314 PolarHBondContact O-N 2.91Å; M314-R317 PolarHBondContact O-N 3.08Å; M314-N318 WeakPolarHBondContact O-CB 3.43Å; M314-N318 VanDerWaalsContact O-CG 3.22Å; M314-N318 PolarHBondContact O-N 3.43Å; M314-N318 PolarHBondContact O-ND2 3.36Å
315	A	96.6	Very high	95.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-65.2	-45.6	176	0	0	0	0	0	112.2	S279 L282 S283 L311 A312 R317 N318 G319	S279-A315 WeakPolarHBondContact O-CB 3.41Å; L282-A315 HydrophobicContact CB-CB 3.65Å; L282-A315 HydrophobicContact CD1-CB 4.31Å; S283-A315 VanDerWaalsContact OG-CB 3.28Å; S283-A315 WeakPolarHBondContact OG-CB 3.39Å; L311-A315 WeakPolarHBondContact O-CB 3.48Å; L311-A315 PolarHBondContact O-N 3.43Å; A312-A315 WeakPolarHBondContact O-CB 3.32Å; A312-A315 PolarHBondContact O-N 2.66Å; A315-R317 PolarHBondContact O-N 3.11Å; A315-N318 PolarHBondContact O-N 3.26Å; A315-G319 PolarHBondContact O-N 2.83Å
316	F	97.6	Very high	95.5	Very high	1 Å²	1	51.5 Å²	51.5	0%	0.004	26%	0.257	C	S	.	.	H	α-helix	trans	-58.7	-45.4	172.7	-78.1	-62.3	0	0	0	112.1	L282 P308 A312 G319 I320 F331 W333 Y350 Y355 T356	L282-F316 HydrophobicContact CD1-CD2 4.1Å; L282-F316 HydrophobicContact CD1-CE1 4.33Å; L282-F316 HydrophobicContact CD1-CE2 3.77Å; L282-F316 HydrophobicContact CD1-CZ 3.9Å; L282-F316 HydrophobicContact CD2-CD1 4.34Å; L282-F316 HydrophobicContact CD2-CE1 3.72Å; L282-F316 HydrophobicContact CD2-CZ 3.85Å; P308-F316 HydrophobicContact CB-CD2 4.3Å; P308-F316 HydrophobicContact CB-CE2 4.04Å; P308-F316 HydrophobicContact CG-CD2 4.44Å; P308-F316 HydrophobicContact CG-CE2 4.21Å; A312-F316 VanDerWaalsContact O-CD2 3.28Å; A312-F316 WeakPolarHBondContact O-CD2 3.25Å; A312-F316 PolarHBondContact O-N 2.94Å; F316-G319 PolarHBondContact O-N 2.97Å; F316-I320 VanDerWaalsContact O-CG1 3.31Å; F316-I320 WeakPolarHBondContact O-CG1 3.19Å; F316-I320 PolarHBondContact O-N 3.35Å; F316-F331 HydrophobicContact CD1-CD1 4.16Å; F316-F331 AromaticContact CD1-CD2 3.81Å; F316-F331 HydrophobicContact CD1-CD2 3.81Å; F316-F331 HydrophobicContact CD1-CE1 4.35Å; F316-F331 AromaticContact CD1-CE2 4Å; F316-F331 HydrophobicContact CD1-CE2 4Å; F316-F331 AromaticContact CD1-CG 3.9Å; F316-F331 HydrophobicContact CD1-CG 3.9Å; F316-F331 HydrophobicContact CD1-CZ 4.27Å; F316-F331 HydrophobicContact CE1-CB 4.09Å; F316-F331 AromaticContact CE1-CD1 3.94Å; F316-F331 HydrophobicContact CE1-CD1 3.94Å; F316-F331 HydrophobicContact CE1-CD2 4.2Å; F316-F331 HydrophobicContact CE1-CE1 4.45Å; F316-F331 AromaticContact CE1-CG 3.81Å; F316-F331 HydrophobicContact CE1-CG 3.81Å; F316-W333 HydrophobicContact CE1-CE3 4.4Å; F316-W333 AromaticContact CE1-CZ3 3.87Å; F316-W333 HydrophobicContact CE1-CZ3 3.87Å; F316-W333 HydrophobicContact CZ-CE3 4.27Å; F316-W333 AromaticContact CZ-CH2 3.88Å; F316-W333 HydrophobicContact CZ-CH2 3.88Å; F316-W333 AromaticContact CZ-CZ3 3.64Å; F316-W333 HydrophobicContact CZ-CZ3 3.64Å; F316-Y350 HydrophobicContact CE2-CD1 4.01Å; F316-Y350 HydrophobicContact CZ-CD1 4.2Å; F316-Y355 HydrophobicContact CB-CD2 3.76Å; F316-Y355 HydrophobicContact CB-CG 4.3Å; F316-T356 HydrophobicContact CE1-CG2 3.69Å; F316-T356 HydrophobicContact CZ-CG2 3.95Å
317	R	95.5	Very high	95.7	Very high	100 Å²	100	48.6 Å²	48.6	38%	0.377	24%	0.241	S	C	.	.	H	α-helix	trans	-61.2	-46.3	176.6	-74.1	177.4	177	-162.9	-0.3	112.1	Q313 M314 A315 G319 Q321 Y355	Q313-R317 WeakPolarHBondContact O-CG 3.38Å; Q313-R317 PolarHBondContact O-N 2.9Å; Q313-R317 VanDerWaalsContact O-N 3.15Å; M314-R317 PolarHBondContact O-N 3.08Å; A315-R317 PolarHBondContact O-N 3.11Å; R317-G319 VanDerWaalsContact C-N 3.33Å; R317-G319 PolarHBondContact O-N 2.79Å; R317-Q321 VanDerWaalsContact O-CB 3.26Å; R317-Q321 WeakPolarHBondContact O-CB 3.39Å; R317-Q321 VanDerWaalsContact O-CG 3.23Å; R317-Q321 WeakPolarHBondContact O-CG 3.48Å; R317-Q321 PolarHBondContact O-N 3.11Å; R317-Y355 HydrophobicContact CG-CE2 4.02Å
318	N	96.6	Very high	95.9	Very high	54 Å²	54	48.4 Å²	48.4	29%	0.289	24%	0.239	S	C	.	.	H	α-helix	trans	-63.6	-39.2	175.6	-71.3	-15	0	0	0	111.6	L286 M314 A315 M322 G323	L286-N318 HydrophobicContact CD1-CB 4.2Å; M314-N318 WeakPolarHBondContact O-CB 3.43Å; M314-N318 VanDerWaalsContact O-CG 3.22Å; M314-N318 PolarHBondContact O-N 3.43Å; M314-N318 PolarHBondContact O-ND2 3.36Å; A315-N318 PolarHBondContact O-N 3.26Å; N318-M322 WeakPolarHBondContact O-CA 3.33Å; N318-M322 VanDerWaalsContact O-CB 3.25Å; N318-M322 WeakPolarHBondContact O-CB 3.49Å; N318-M322 PolarHBondContact O-N 3.01Å; N318-G323 PolarHBondContact O-N 3.44Å
319	G	98	Very high	96.1	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.4	-49.9	177.3	0	0	0	0	0	112.7	A315 F316 R317 G323 G328 S329	A315-G319 PolarHBondContact O-N 2.83Å; F316-G319 PolarHBondContact O-N 2.97Å; R317-G319 VanDerWaalsContact C-N 3.33Å; R317-G319 PolarHBondContact O-N 2.79Å; G319-G323 VanDerWaalsContact O-CA 3.23Å; G319-G323 WeakPolarHBondContact O-CA 3.28Å; G319-G323 PolarHBondContact O-N 3.22Å; G319-G328 WeakPolarHBondContact O-CA 3.47Å; G319-S329 PolarHBondContact O-N 2.79Å; G319-S329 PolarHBondContact O-OG 3.41Å
320	I	97.7	Very high	96.5	Very high	15 Å²	15	47.2 Å²	47.2	8%	0.077	23%	0.226	C	C	.	.	H	α-helix	trans	-76.8	-20.1	-179.4	65.8	97.4	0	0	0	114.3	F316 G328 F331 Y355 W432	F316-I320 VanDerWaalsContact O-CG1 3.31Å; F316-I320 WeakPolarHBondContact O-CG1 3.19Å; F316-I320 PolarHBondContact O-N 3.35Å; I320-G328 VanDerWaalsContact O-CA 3.31Å; I320-G328 WeakPolarHBondContact O-CA 3.48Å; I320-F331 HydrophobicContact CG2-CD2 4.26Å; I320-F331 HydrophobicContact CG2-CE2 4.13Å; I320-Y355 HydrophobicContact CB-CD1 4.36Å; I320-Y355 HydrophobicContact CD1-CD1 3.94Å; I320-Y355 HydrophobicContact CD1-CE1 3.76Å; I320-Y355 HydrophobicContact CG1-CD1 3.61Å; I320-Y355 HydrophobicContact CG1-CE1 3.87Å; I320-Y355 HydrophobicContact CG1-CG 4.26Å; I320-Y355 HydrophobicContact CG2-CD1 4.08Å; I320-Y355 HydrophobicContact CG2-CG 4.27Å; I320-W432 HydrophobicContact CB-CD2 4.13Å; I320-W432 HydrophobicContact CB-CG 4.14Å; I320-W432 HydrophobicContact CB-CZ2 4.44Å; I320-W432 HydrophobicContact CD1-CZ2 3.98Å; I320-W432 HydrophobicContact CG2-CD2 4.05Å; I320-W432 HydrophobicContact CG2-CE3 4.49Å; I320-W432 HydrophobicContact CG2-CG 4.14Å; I320-W432 PolarHBondContact O-NE1 3.12Å
321	Q	96.5	Very high	96.8	Very high	119 Å²	119	41 Å²	41	56%	0.556	20%	0.199	S	C	*	.	H	α-helix	trans	-93.2	-40.4	177.4	-70.6	179.6	-15.3	0	0	114	R317	R317-Q321 VanDerWaalsContact O-CB 3.26Å; R317-Q321 WeakPolarHBondContact O-CB 3.39Å; R317-Q321 VanDerWaalsContact O-CG 3.23Å; R317-Q321 WeakPolarHBondContact O-CG 3.48Å; R317-Q321 PolarHBondContact O-N 3.11Å
322	M	96.7	Very high	97	Very high	97 Å²	97	37.6 Å²	37.6	48%	0.478	18%	0.182	S	C	.	.	H	α-helix	trans	-109	-30	-171.6	-50.1	-177	-171.1	0	0	112.3	Q287 N318 G326	Q287-M322 PolarHBondContact NE2-O 3.42Å; N318-M322 WeakPolarHBondContact O-CA 3.33Å; N318-M322 VanDerWaalsContact O-CB 3.25Å; N318-M322 WeakPolarHBondContact O-CB 3.49Å; N318-M322 PolarHBondContact O-N 3.01Å; M322-G326 PolarHBondContact O-N 3.42Å; M322-G326 VanDerWaalsContact O-N 3.1Å
323	G	97.9	Very high	97.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-58.2	152.7	-175.4	0	0	0	0	0	113.5	L286 N318 G319 R325 G326 L327 G328	L286-G323 CarbonylContact O-C 3.52Å; L286-G323 WeakPolarHBondContact O-CA 3.29Å; N318-G323 PolarHBondContact O-N 3.44Å; G319-G323 VanDerWaalsContact O-CA 3.23Å; G319-G323 WeakPolarHBondContact O-CA 3.28Å; G319-G323 PolarHBondContact O-N 3.22Å; G323-R325 PolarHBondContact O-N 3.48Å; G323-G326 PolarHBondContact O-N 3.11Å; G323-L327 PolarHBondContact O-N 3.33Å; G323-G328 WeakPolarHBondContact O-CA 3.5Å; G323-G328 PolarHBondContact O-N 3.34Å
324	R	98.1	Very high	97.6	Very high	1 Å²	1	35.5 Å²	35.5	0%	0.004	17%	0.173	C	C	.	.	H	α-helix	trans	48.4	43.7	-177.2	-63.5	172.4	59.5	-120.8	-5.6	113	L286 D290 G326 L327 G328 P428 L430	L286-R324 PolarHBondContact O-N 3.14Å; D290-R324 HydrophobicContact CB-CG 4.33Å; D290-R324 WeakPolarHBondContact O-CD 3.44Å; D290-R324 WeakPolarHBondContact OD1-CD 3.39Å; D290-R324 WeakPolarHBondContact OD1-CG 3.23Å; D290-R324 IonicContact OD1-CZ 3.97Å; D290-R324 IonicContact OD1-NE 3.79Å; D290-R324 PolarHBondContact OD1-NE 2.74Å; R324-G326 PolarHBondContact O-N 2.94Å; R324-L327 HydrophobicContact CB-CB 4.08Å; R324-L327 WeakPolarHBondContact O-CB 3.39Å; R324-L327 WeakPolarHBondContact O-CG 3.44Å; R324-L327 PolarHBondContact O-N 3.19Å; R324-G328 WeakPolarHBondContact CD-O 3.12Å; R324-G328 PolarHBondContact NH1-O 3.25Å; R324-P428 PolarHBondContact NH2-O 2.89Å; R324-L430 PolarHBondContact NH1-O 3.16Å; R324-L430 PolarHBondContact NH2-O 2.99Å
325	R	97.1	Very high	97.8	Very high	173 Å²	173	31.3 Å²	31.3	65%	0.653	15%	0.152	S	C	*	.	H	α-helix	trans	58.2	40.4	-177.2	-57.1	166.4	-66.9	-77.9	-4.2	113.6	Q287 G323	Q287-R325 VanDerWaalsContact OE1-CA 3.31Å; G323-R325 PolarHBondContact O-N 3.48Å
326	G	97.2	Very high	97.8	Very high	46 Å²	46	31.8 Å²	31.8	47%	0.474	16%	0.157	S	C	.	.	H	α-helix	trans	85.8	5.8	179.2	0	0	0	0	0	115.5	M322 G323 R324 G328	M322-G326 PolarHBondContact O-N 3.42Å; M322-G326 VanDerWaalsContact O-N 3.1Å; G323-G326 PolarHBondContact O-N 3.11Å; R324-G326 PolarHBondContact O-N 2.94Å; G326-G328 VanDerWaalsContact C-N 3.3Å
327	L	98.4	Very high	97.8	Very high	35 Å²	35	33.8 Å²	33.8	18%	0.183	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-19.6	167.9	-61.5	177.7	0	0	0	112.2	G323 R324 P428 N429 T431 W432	G323-L327 PolarHBondContact O-N 3.33Å; R324-L327 HydrophobicContact CB-CB 4.08Å; R324-L327 WeakPolarHBondContact O-CB 3.39Å; R324-L327 WeakPolarHBondContact O-CG 3.44Å; R324-L327 PolarHBondContact O-N 3.19Å; L327-P428 VanDerWaalsContact CD1-O 3.26Å; L327-P428 WeakPolarHBondContact CD1-O 3.31Å; L327-N429 WeakPolarHBondContact CD2-O 3.45Å; L327-T431 HydrophobicContact CD2-CG2 4.11Å; L327-T431 CarbonylContact O-C 3.52Å; L327-T431 WeakPolarHBondContact O-CA 3.28Å; L327-T431 VanDerWaalsContact O-CB 3.28Å; L327-T431 WeakPolarHBondContact O-CB 3.26Å; L327-W432 PolarHBondContact O-N 3.46Å
328	G	98.5	Very high	97.9	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.15	C	C	.	.			trans	84.4	131.9	-174.6	0	0	0	0	0	112.5	G319 I320 G323 R324 G326	G319-G328 WeakPolarHBondContact O-CA 3.47Å; I320-G328 VanDerWaalsContact O-CA 3.31Å; I320-G328 WeakPolarHBondContact O-CA 3.48Å; G323-G328 WeakPolarHBondContact O-CA 3.5Å; G323-G328 PolarHBondContact O-N 3.34Å; R324-G328 WeakPolarHBondContact CD-O 3.12Å; R324-G328 PolarHBondContact NH1-O 3.25Å; G326-G328 VanDerWaalsContact C-N 3.3Å
329	S	98.6	Very high	97.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.144	C	C	.	.			trans	-58.5	145.2	170.1	-62.3	0	0	0	0	111.3	Y292 G319	Y292-S329 WeakPolarHBondContact CE2-OG 3.26Å; G319-S329 PolarHBondContact O-N 2.79Å; G319-S329 PolarHBondContact O-OG 3.41Å
330	I	98.8	Very high	97.8	Very high	6 Å²	6	31.5 Å²	31.5	3%	0.031	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	111.8	174	-47	-54.9	0	0	0	108.6	D290 V291 Y292 V332 L424 W432 L435	D290-I330 PolarHBondContact O-N 2.79Å; V291-I330 CarbonylContact C-O 3.58Å; V291-I330 WeakPolarHBondContact CA-O 3.42Å; V291-I330 HydrophobicContact CB-CB 4.37Å; V291-I330 HydrophobicContact CG1-CB 4.18Å; V291-I330 HydrophobicContact CG1-CG2 4.24Å; V291-I330 HydrophobicContact CG2-CB 4.12Å; V291-I330 HydrophobicContact CG2-CG1 4.27Å; Y292-I330 PolarHBondContact N-O 2.81Å; I330-V332 HydrophobicContact CG2-CG2 3.91Å; I330-L424 HydrophobicContact CG1-CD1 4.02Å; I330-W432 HydrophobicContact CD1-CB 4.05Å; I330-L435 HydrophobicContact CB-CD1 4.46Å; I330-L435 HydrophobicContact CD1-CB 4.24Å; I330-L435 HydrophobicContact CD1-CD1 3.68Å; I330-L435 HydrophobicContact CG1-CD1 3.72Å; I330-L435 HydrophobicContact CG2-CD1 3.93Å
331	F	98.8	Very high	97.8	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.009	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	120.4	170.2	-58.5	-81.4	0	0	0	109.1	L282 Y292 F316 I320 T356 L357	L282-F331 HydrophobicContact CB-CE1 4.39Å; L282-F331 HydrophobicContact CD2-CD1 3.84Å; L282-F331 HydrophobicContact CD2-CE1 3.75Å; Y292-F331 HydrophobicContact CD1-CE1 4.25Å; Y292-F331 HydrophobicContact CD2-CD1 4.2Å; Y292-F331 AromaticContact CD2-CE1 3.93Å; Y292-F331 HydrophobicContact CD2-CE1 3.93Å; Y292-F331 HydrophobicContact CE2-CE1 4.48Å; Y292-F331 AromaticContact CG-CD1 3.97Å; Y292-F331 HydrophobicContact CG-CD1 3.97Å; Y292-F331 AromaticContact CG-CE1 3.83Å; Y292-F331 HydrophobicContact CG-CE1 3.83Å; F316-F331 HydrophobicContact CD1-CD1 4.16Å; F316-F331 AromaticContact CD1-CD2 3.81Å; F316-F331 HydrophobicContact CD1-CD2 3.81Å; F316-F331 HydrophobicContact CD1-CE1 4.35Å; F316-F331 AromaticContact CD1-CE2 4Å; F316-F331 HydrophobicContact CD1-CE2 4Å; F316-F331 AromaticContact CD1-CG 3.9Å; F316-F331 HydrophobicContact CD1-CG 3.9Å; F316-F331 HydrophobicContact CD1-CZ 4.27Å; F316-F331 HydrophobicContact CE1-CB 4.09Å; F316-F331 AromaticContact CE1-CD1 3.94Å; F316-F331 HydrophobicContact CE1-CD1 3.94Å; F316-F331 HydrophobicContact CE1-CD2 4.2Å; F316-F331 HydrophobicContact CE1-CE1 4.45Å; F316-F331 AromaticContact CE1-CG 3.81Å; F316-F331 HydrophobicContact CE1-CG 3.81Å; I320-F331 HydrophobicContact CG2-CD2 4.26Å; I320-F331 HydrophobicContact CG2-CE2 4.13Å; F331-T356 HydrophobicContact CB-CG2 4.09Å; F331-T356 CarbonylContact O-C 3.32Å; F331-T356 WeakPolarHBondContact O-CA 3.46Å; F331-L357 WeakPolarHBondContact O-CB 3.41Å; F331-L357 PolarHBondContact O-N 3.05Å
332	V	98.9	Very high	97.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.1	177.3	-173.8	0	0	0	0	108.3	V291 Y292 A294 I330 V359 A413 A416 A417	V291-V332 HydrophobicContact CG1-CG2 3.9Å; Y292-V332 PolarHBondContact O-N 3.07Å; A294-V332 PolarHBondContact N-O 2.95Å; I330-V332 HydrophobicContact CG2-CG2 3.91Å; V332-V359 HydrophobicContact CG1-CG2 3.84Å; V332-A413 HydrophobicContact CG1-CB 4.26Å; V332-A413 WeakPolarHBondContact CG1-O 3.33Å; V332-A416 HydrophobicContact CG1-CB 3.87Å; V332-A417 HydrophobicContact CB-CB 4.32Å; V332-A417 HydrophobicContact CG2-CB 4.22Å
333	W	98.7	Very high	97.9	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.008	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	139.3	-168.5	-135.7	-88.1	0	0	0	111.8	L282 A294 W296 F316 Y350 T356 L357 V359	L282-W333 HydrophobicContact CD2-CH2 4.01Å; L282-W333 HydrophobicContact CD2-CZ3 3.89Å; A294-W333 HydrophobicContact CB-CD2 3.87Å; A294-W333 HydrophobicContact CB-CE3 3.68Å; A294-W333 HydrophobicContact CB-CH2 3.5Å; A294-W333 VanDerWaalsContact CB-CH2 3.5Å; A294-W333 HydrophobicContact CB-CZ2 3.68Å; A294-W333 HydrophobicContact CB-CZ3 3.49Å; A294-W333 VanDerWaalsContact CB-CZ3 3.49Å; A294-W333 WeakPolarHBondContact O-CA 3.46Å; W296-W333 AromaticContact CD2-CZ2 3.99Å; W296-W333 HydrophobicContact CD2-CZ2 3.99Å; W296-W333 AromaticContact CE2-CZ2 3.99Å; W296-W333 AromaticContact CE3-CZ2 3.92Å; W296-W333 HydrophobicContact CE3-CZ2 3.92Å; W296-W333 AromaticContact CH2-CH2 3.74Å; W296-W333 HydrophobicContact CH2-CH2 3.74Å; W296-W333 AromaticContact CH2-CZ2 3.9Å; W296-W333 HydrophobicContact CH2-CZ2 3.9Å; W296-W333 AromaticContact CZ2-CH2 3.68Å; W296-W333 HydrophobicContact CZ2-CH2 3.68Å; W296-W333 AromaticContact CZ2-CZ2 3.96Å; W296-W333 HydrophobicContact CZ2-CZ2 3.96Å; W296-W333 HydrophobicContact CZ3-CH2 4.2Å; W296-W333 AromaticContact CZ3-CZ2 3.89Å; W296-W333 HydrophobicContact CZ3-CZ2 3.89Å; W296-W333 PolarHBondContact O-NE1 3.03Å; F316-W333 HydrophobicContact CE1-CE3 4.4Å; F316-W333 AromaticContact CE1-CZ3 3.87Å; F316-W333 HydrophobicContact CE1-CZ3 3.87Å; F316-W333 HydrophobicContact CZ-CE3 4.27Å; F316-W333 AromaticContact CZ-CH2 3.88Å; F316-W333 HydrophobicContact CZ-CH2 3.88Å; F316-W333 AromaticContact CZ-CZ3 3.64Å; F316-W333 HydrophobicContact CZ-CZ3 3.64Å; W333-Y350 HydrophobicContact CH2-CD1 4.07Å; W333-Y350 AromaticContact CZ2-CD1 3.65Å; W333-Y350 HydrophobicContact CZ2-CD1 3.65Å; W333-Y350 AromaticContact CZ2-CG 3.99Å; W333-Y350 HydrophobicContact CZ2-CG 3.99Å; W333-T356 HydrophobicContact CB-CG2 4.21Å; W333-T356 HydrophobicContact CD2-CG2 4.01Å; W333-T356 HydrophobicContact CE3-CG2 3.58Å; W333-T356 HydrophobicContact CG-CG2 4.28Å; W333-T356 HydrophobicContact CZ3-CG2 4.32Å; W333-L357 PolarHBondContact N-O 3.06Å; W333-V359 PolarHBondContact O-N 3.48Å
334	A	98.6	Very high	97.9	Very high	5 Å²	5	27.6 Å²	27.6	4%	0.041	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	138.9	170.8	0	0	0	0	0	110.9	A294 G336 T409 A413	A294-A334 PolarHBondContact O-N 2.86Å; A294-A334 VanDerWaalsContact O-N 3.15Å; A334-G336 PolarHBondContact O-N 2.94Å; A334-G336 VanDerWaalsContact O-N 3.1Å; A334-T409 WeakPolarHBondContact CB-O 3.38Å; A334-A413 HydrophobicContact CB-CB 4.05Å
335	S	98.1	Very high	98	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.007	15%	0.152	C	C	.	.			trans	-82.6	30.6	-177.3	78.7	0	0	0	0	115	C345 V359 G360	S335-C345 WeakPolarHBondContact O-CB 3.44Å; S335-V359 PolarHBondContact N-O 2.89Å; S335-G360 VanDerWaalsContact OG-CA 3.25Å; S335-G360 WeakPolarHBondContact OG-CA 3.48Å
336	G	97.2	Very high	98	Very high	10 Å²	10	19.4 Å²	19.4	10%	0.103	12%	0.121	C	C	.	.			trans	72.6	166.7	-177.7	0	0	0	0	0	115.4	A334 E373 T409	A334-G336 PolarHBondContact O-N 2.94Å; A334-G336 VanDerWaalsContact O-N 3.1Å; G336-E373 WeakPolarHBondContact CA-OE1 3.45Å; G336-T409 VanDerWaalsContact C-OG1 3.28Å; G336-T409 WeakPolarHBondContact O-CB 3.06Å; G336-T409 WeakPolarHBondContact O-CG2 3.23Å; G336-T409 PolarHBondContact O-OG1 2.78Å
337	N	97.8	Very high	98.1	Very high	43 Å²	43	17.4 Å²	17.4	23%	0.23	10%	0.1	C	C	.	.	S	Bend	trans	-122.3	13.8	-178.6	-53.5	-92.2	0	0	0	113	D300 G339 Y371 E373 G408 T409	D300-N337 VanDerWaalsContact CG-N 3.33Å; D300-N337 WeakPolarHBondContact OD2-CA 3.36Å; D300-N337 VanDerWaalsContact OD2-CB 3.22Å; D300-N337 WeakPolarHBondContact OD2-CB 3.31Å; D300-N337 PolarHBondContact OD2-N 2.99Å; D300-N337 PolarHBondContact OD2-ND2 2.86Å; N337-G339 PolarHBondContact O-N 2.94Å; N337-G339 VanDerWaalsContact O-N 3.14Å; N337-Y371 CarbonylContact C-O 3.49Å; N337-Y371 WeakPolarHBondContact CA-O 3.32Å; N337-E373 PolarHBondContact N-OE1 3.12Å; N337-G408 VanDerWaalsContact OD1-CA 3.22Å; N337-G408 WeakPolarHBondContact OD1-CA 3.4Å; N337-T409 PolarHBondContact ND2-OG1 3.02Å; N337-T409 PolarHBondContact OD1-N 2.99Å; N337-T409 PolarHBondContact OD1-OG1 3.35Å
338	G	97.8	Very high	98.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-75.4	14.1	-176.3	0	0	0	0	0	116	D300 T340 S341 H342 D343 E373	D300-G338 WeakPolarHBondContact O-CA 3.22Å; G338-T340 PolarHBondContact O-N 3.15Å; G338-S341 CarbonylContact O-C 3.57Å; G338-S341 VanDerWaalsContact O-CA 3.27Å; G338-S341 WeakPolarHBondContact O-CA 3.08Å; G338-S341 WeakPolarHBondContact O-CB 3.48Å; G338-S341 PolarHBondContact O-N 3.23Å; G338-H342 PolarHBondContact O-N 2.9Å; G338-D343 PolarHBondContact O-N 3.27Å; G338-E373 VanDerWaalsContact CA-OE1 3.31Å; G338-E373 WeakPolarHBondContact CA-OE1 3.38Å; G338-E373 PolarHBondContact N-OE1 2.64Å
339	G	97	Very high	98	Very high	16 Å²	16	17 Å²	17	17%	0.165	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-53.4	-45.6	-178.5	0	0	0	0	0	114	N337 S341 H342 Y371 A372	N337-G339 PolarHBondContact O-N 2.94Å; N337-G339 VanDerWaalsContact O-N 3.14Å; G339-S341 PolarHBondContact O-N 2.91Å; G339-H342 PolarHBondContact O-N 3.11Å; G339-Y371 WeakPolarHBondContact CA-O 3.46Å; G339-Y371 PolarHBondContact N-O 3.03Å; G339-A372 WeakPolarHBondContact CA-O 3.41Å
340	T	96	Very high	98	Very high	90 Å²	90	17.6 Å²	17.6	55%	0.552	10%	0.102	S	C	*	.	G	3₁₀ helix	trans	-72.4	-12.5	172.7	35	0	0	0	0	114.8	G338 H342 W370	G338-T340 PolarHBondContact O-N 3.15Å; T340-H342 VanDerWaalsContact C-N 3.31Å; T340-W370 HydrophobicContact CG2-CE3 3.69Å; T340-W370 HydrophobicContact CG2-CZ3 4.28Å; T340-W370 PolarHBondContact N-O 3.34Å
341	S	97.2	Very high	97.8	Very high	13 Å²	13	17.3 Å²	17.3	9%	0.091	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-82.9	-10.4	168.2	-66	0	0	0	0	113	D300 D301 G338 G339 D343 K574	D300-S341 PolarHBondContact O-OG 3Å; D301-S341 WeakPolarHBondContact O-CB 3.49Å; D301-S341 PolarHBondContact O-OG 3.24Å; G338-S341 CarbonylContact O-C 3.57Å; G338-S341 VanDerWaalsContact O-CA 3.27Å; G338-S341 WeakPolarHBondContact O-CA 3.08Å; G338-S341 WeakPolarHBondContact O-CB 3.48Å; G338-S341 PolarHBondContact O-N 3.23Å; G339-S341 PolarHBondContact O-N 2.91Å; S341-D343 VanDerWaalsContact C-N 3.28Å; S341-K574 VanDerWaalsContact CB-NZ 3.27Å; S341-K574 PolarHBondContact OG-NZ 2.87Å
342	H	97.2	Very high	97.7	Very high	121 Å²	121	17.4 Å²	17.4	56%	0.56	10%	0.101	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.7	41.4	-162	-53.1	-60.9	0	0	0	112.3	G338 G339 T340	G338-H342 PolarHBondContact O-N 2.9Å; G339-H342 PolarHBondContact O-N 3.11Å; T340-H342 VanDerWaalsContact C-N 3.31Å
343	D	98.4	Very high	97.6	Very high	14 Å²	14	18 Å²	18	8%	0.075	11%	0.106	C	C	.	.			trans	-78.2	170.2	174.9	-141.9	-24.9	0	0	0	112.6	D301 G302 G338 S341 E373 R572	D301-D343 PolarHBondContact N-OD2 2.78Å; G302-D343 WeakPolarHBondContact CA-OD2 3.3Å; G302-D343 PolarHBondContact N-OD2 3.23Å; G338-D343 PolarHBondContact O-N 3.27Å; S341-D343 VanDerWaalsContact C-N 3.28Å; D343-E373 HydrophobicContact CB-CG 4.23Å; D343-R572 VanDerWaalsContact OD1-CD 3.25Å; D343-R572 WeakPolarHBondContact OD1-CD 3.12Å; D343-R572 IonicContact OD1-CZ 3.69Å; D343-R572 IonicContact OD1-NE 2.73Å; D343-R572 IonicContact OD1-NH1 2.96Å; D343-R572 PolarHBondContact OD1-NH1 3.37Å; D343-R572 IonicContact OD2-NH1 3.48Å
344	N	98.4	Very high	97.6	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.011	11%	0.107	C	C	.	.			trans	-139.9	111.8	-179.4	-171	-63.6	0	0	0	109.5	N346 C347 L374 C375 L569 S570	N344-N346 PolarHBondContact O-N 3.32Å; N344-N346 WeakPolarHBondContact OD1-CB 2.97Å; N344-N346 PolarHBondContact OD1-N 2.91Å; N344-C347 WeakPolarHBondContact O-CB 3.19Å; N344-C347 PolarHBondContact O-N 3.33Å; N344-L374 PolarHBondContact ND2-O 2.87Å; N344-C375 WeakPolarHBondContact OD1-CB 3.31Å; N344-L569 HydrophobicContact CB-CD1 4.32Å; N344-S570 PolarHBondContact ND2-N 3.33Å; N344-S570 VanDerWaalsContact ND2-N 3.18Å; N344-S570 PolarHBondContact ND2-OG 3.01Å
345	C	98.4	Very high	97.6	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.007	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	5.3	-177.5	43.7	0	0	0	0	116.5	S335 C347 T351 E373 C375	S335-C345 WeakPolarHBondContact O-CB 3.44Å; C345-C347 VanDerWaalsContact C-N 3.32Å; C345-T351 HydrophobicContact CB-CG2 3.71Å; C345-T351 WeakPolarHBondContact O-CG2 3.49Å; C345-E373 WeakPolarHBondContact CA-OE2 3.06Å; C345-E373 HydrophobicContact CB-CB 4.03Å; C345-E373 PolarHBondContact N-OE2 3.19Å; C345-C375 VanDerWaalsContact C-SG 3.58Å; C345-C375 HydrophobicContact CB-CB 3.93Å; C345-C375 WeakPolarHBondContact CB-SG 3.37Å; C345-C375 WeakPolarHBondContact SG-CB 3.31Å; C345-C375 CovalentContact SG-SG 2.03Å; C345-C375 PolarHBondContact SG-SG 3.14Å
346	N	98.4	Very high	97.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-8.8	160.3	-66.7	-20.8	0	0	0	113.4	N344 C375 S376 S377 L568 W584 F586 M587	N344-N346 PolarHBondContact O-N 3.32Å; N344-N346 WeakPolarHBondContact OD1-CB 2.97Å; N344-N346 PolarHBondContact OD1-N 2.91Å; N346-C375 HydrophobicContact CB-CB 4.41Å; N346-C375 WeakPolarHBondContact OD1-CB 3.49Å; N346-S376 PolarHBondContact ND2-OG 2.97Å; N346-S377 WeakPolarHBondContact OD1-CB 3.49Å; N346-S377 PolarHBondContact OD1-N 3.21Å; N346-S377 PolarHBondContact OD1-OG 2.62Å; N346-S377 VanDerWaalsContact OD1-OG 3.12Å; N346-L568 PolarHBondContact ND2-O 3.03Å; N346-W584 PolarHBondContact O-NE1 3.09Å; N346-F586 HydrophobicContact CB-CD1 3.86Å; N346-F586 HydrophobicContact CB-CE1 4.43Å; N346-M587 PolarHBondContact OD1-O 2.62Å
347	C	98.3	Very high	97.7	Very high	4 Å²	4	19.8 Å²	19.8	3%	0.027	11%	0.109	C	C	.	.	S	Bend	trans	-87.4	-13.2	170.6	-66.9	0	0	0	0	112.8	V305 D306 N344 C345 W584	V305-C347 HydrophobicContact CG2-CB 4.2Å; D306-C347 PolarHBondContact N-O 2.93Å; N344-C347 WeakPolarHBondContact O-CB 3.19Å; N344-C347 PolarHBondContact O-N 3.33Å; C345-C347 VanDerWaalsContact C-N 3.32Å; C347-W584 WeakPolarHBondContact O-CZ2 3.41Å
348	D	98.1	Very high	97.7	Very high	18 Å²	18	17.8 Å²	17.8	10%	0.096	10%	0.099	C	C	.	.	B	Isolated β-bridge	trans	-85.4	108.8	162.6	167.3	29.2	0	0	0	109.9	P298 Y350 T351 N352	P298-D348 WeakPolarHBondContact CD-OD1 3.37Å; P298-D348 HydrophobicContact CG-CB 4.34Å; D348-Y350 PolarHBondContact O-N 3.44Å; D348-Y350 WeakPolarHBondContact OD1-CB 3.34Å; D348-Y350 VanDerWaalsContact OD1-CD2 3.25Å; D348-Y350 WeakPolarHBondContact OD1-CD2 3.06Å; D348-Y350 PolarHBondContact OD1-N 2.82Å; D348-T351 HydrophobicContact CB-CG2 4Å; D348-T351 VanDerWaalsContact OD2-CB 3.26Å; D348-T351 WeakPolarHBondContact OD2-CB 3.49Å; D348-T351 WeakPolarHBondContact OD2-CG2 3.41Å; D348-T351 PolarHBondContact OD2-N 3.14Å; D348-N352 WeakPolarHBondContact O-CB 3.24Å; D348-N352 PolarHBondContact O-N 3.43Å
349	G	97.4	Very high	97.8	Very high	8 Å²	8	17.8 Å²	17.8	8%	0.082	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-13.1	177.5	0	0	0	0	0	115.1	D306 P308	D306-G349 PolarHBondContact O-N 3.48Å; P308-G349 VanDerWaalsContact CD-O 3.32Å; P308-G349 WeakPolarHBondContact CD-O 3.42Å
350	Y	97.9	Very high	97.8	Very high	13 Å²	13	17.1 Å²	17.1	5%	0.051	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-61.2	174	-61.9	-94.8	0	0	0	110.3	E278 W296 G307 P308 F316 W333 D348 N352 S353 T356	E278-Y350 PolarHBondContact OE1-OH 3.39Å; E278-Y350 PolarHBondContact OE2-OH 3.28Å; W296-Y350 HydrophobicContact CH2-CE1 4.13Å; W296-Y350 HydrophobicContact CZ3-CD1 4.04Å; W296-Y350 AromaticContact CZ3-CE1 3.57Å; W296-Y350 HydrophobicContact CZ3-CE1 3.57Å; W296-Y350 AromaticContact CZ3-CZ 3.93Å; G307-Y350 VanDerWaalsContact C-CE2 3.43Å; P308-Y350 VanDerWaalsContact CA-CZ 3.49Å; P308-Y350 WeakPolarHBondContact CA-OH 3.31Å; P308-Y350 HydrophobicContact CB-CD1 4.08Å; P308-Y350 HydrophobicContact CB-CE1 3.67Å; P308-Y350 HydrophobicContact CG-CD1 4.36Å; P308-Y350 HydrophobicContact CG-CE1 4.38Å; F316-Y350 HydrophobicContact CE2-CD1 4.01Å; F316-Y350 HydrophobicContact CZ-CD1 4.2Å; W333-Y350 HydrophobicContact CH2-CD1 4.07Å; W333-Y350 AromaticContact CZ2-CD1 3.65Å; W333-Y350 HydrophobicContact CZ2-CD1 3.65Å; W333-Y350 AromaticContact CZ2-CG 3.99Å; W333-Y350 HydrophobicContact CZ2-CG 3.99Å; D348-Y350 PolarHBondContact O-N 3.44Å; D348-Y350 WeakPolarHBondContact OD1-CB 3.34Å; D348-Y350 VanDerWaalsContact OD1-CD2 3.25Å; D348-Y350 WeakPolarHBondContact OD1-CD2 3.06Å; D348-Y350 PolarHBondContact OD1-N 2.82Å; Y350-N352 VanDerWaalsContact C-N 3.3Å; Y350-N352 PolarHBondContact O-N 3.03Å; Y350-S353 WeakPolarHBondContact O-CB 3.04Å; Y350-S353 PolarHBondContact O-N 3.14Å; Y350-T356 PolarHBondContact O-OG1 3.06Å
351	T	95.7	Very high	97.9	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-20.1	177.9	-162.3	0	0	0	0	114.1	C345 D348 S353 G358	C345-T351 HydrophobicContact CB-CG2 3.71Å; C345-T351 WeakPolarHBondContact O-CG2 3.49Å; D348-T351 HydrophobicContact CB-CG2 4Å; D348-T351 VanDerWaalsContact OD2-CB 3.26Å; D348-T351 WeakPolarHBondContact OD2-CB 3.49Å; D348-T351 WeakPolarHBondContact OD2-CG2 3.41Å; D348-T351 PolarHBondContact OD2-N 3.14Å; T351-S353 PolarHBondContact O-N 2.72Å; T351-G358 WeakPolarHBondContact OG1-CA 3.04Å
352	N	95.8	Very high	97.9	Very high	4 Å²	4	12.2 Å²	12.2	2%	0.021	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-6.8	169.3	-176.9	75	0	0	0	113.1	D348 Y350 P585 M587	D348-N352 WeakPolarHBondContact O-CB 3.24Å; D348-N352 PolarHBondContact O-N 3.43Å; Y350-N352 VanDerWaalsContact C-N 3.3Å; Y350-N352 PolarHBondContact O-N 3.03Å; N352-P585 PolarHBondContact ND2-O 2.92Å; N352-M587 VanDerWaalsContact O-CB 3.24Å; N352-M587 WeakPolarHBondContact O-CB 3.5Å; N352-M587 WeakPolarHBondContact OD1-CB 3.22Å; N352-M587 PolarHBondContact OD1-N 2.69Å
353	S	98	Very high	97.8	Very high	14 Å²	14	6.5 Å²	6.5	10%	0.098	4%	0.035	C	C	.	.			trans	-69.6	139.3	177.5	-175.4	0	0	0	0	111.8	Y350 T351 Y355 T356	Y350-S353 WeakPolarHBondContact O-CB 3.04Å; Y350-S353 PolarHBondContact O-N 3.14Å; T351-S353 PolarHBondContact O-N 2.72Å; S353-Y355 PolarHBondContact O-N 2.88Å; S353-Y355 WeakPolarHBondContact OG-CD2 3.31Å; S353-Y355 PolarHBondContact OG-N 2.97Å; S353-T356 WeakPolarHBondContact CB-OG1 3.39Å; S353-T356 PolarHBondContact O-N 3.15Å; S353-T356 PolarHBondContact O-OG1 2.82Å
354	I	98.3	Very high	97.6	Very high	4 Å²	4	6.8 Å²	6.8	2%	0.021	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-24.7	172	69.3	177.4	0	0	0	112	T356 W432 Q436 H539 M587 Y621	I354-T356 VanDerWaalsContact C-N 3.31Å; I354-W432 WeakPolarHBondContact O-CZ3 3.24Å; I354-Q436 PolarHBondContact O-NE2 3.4Å; I354-Q436 VanDerWaalsContact O-NE2 3.12Å; I354-H539 HydrophobicContact CB-CB 4.23Å; I354-H539 HydrophobicContact CG2-CB 3.54Å; I354-H539 PolarHBondContact O-NE2 3.47Å; I354-M587 HydrophobicContact CG2-CG 3.94Å; I354-Y621 HydrophobicContact CD1-CD1 3.61Å; I354-Y621 HydrophobicContact CD1-CD2 4.29Å; I354-Y621 HydrophobicContact CD1-CE1 3.38Å; I354-Y621 HydrophobicContact CD1-CE2 4.08Å; I354-Y621 HydrophobicContact CD1-CG 4.07Å; I354-Y621 HydrophobicContact CG2-CD2 4.4Å; I354-Y621 HydrophobicContact CG2-CE2 4.36Å
355	Y	98.4	Very high	97.3	Very high	42 Å²	42	12.3 Å²	12.3	17%	0.165	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-15.7	-176.3	-51.2	-49.9	0	0	0	113	F316 R317 I320 S353 W432	F316-Y355 HydrophobicContact CB-CD2 3.76Å; F316-Y355 HydrophobicContact CB-CG 4.3Å; R317-Y355 HydrophobicContact CG-CE2 4.02Å; I320-Y355 HydrophobicContact CB-CD1 4.36Å; I320-Y355 HydrophobicContact CD1-CD1 3.94Å; I320-Y355 HydrophobicContact CD1-CE1 3.76Å; I320-Y355 HydrophobicContact CG1-CD1 3.61Å; I320-Y355 HydrophobicContact CG1-CE1 3.87Å; I320-Y355 HydrophobicContact CG1-CG 4.26Å; I320-Y355 HydrophobicContact CG2-CD1 4.08Å; I320-Y355 HydrophobicContact CG2-CG 4.27Å; S353-Y355 PolarHBondContact O-N 2.88Å; S353-Y355 WeakPolarHBondContact OG-CD2 3.31Å; S353-Y355 PolarHBondContact OG-N 2.97Å; Y355-W432 HydrophobicContact CD1-CH2 4.1Å; Y355-W432 HydrophobicContact CD1-CZ2 4.42Å
356	T	98.5	Very high	97.1	Very high	5 Å²	5	12.2 Å²	12.2	3%	0.031	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	146.8	175.5	48.4	0	0	0	0	111.7	F316 F331 W333 Y350 S353 I354 Q436	F316-T356 HydrophobicContact CE1-CG2 3.69Å; F316-T356 HydrophobicContact CZ-CG2 3.95Å; F331-T356 HydrophobicContact CB-CG2 4.09Å; F331-T356 CarbonylContact O-C 3.32Å; F331-T356 WeakPolarHBondContact O-CA 3.46Å; W333-T356 HydrophobicContact CB-CG2 4.21Å; W333-T356 HydrophobicContact CD2-CG2 4.01Å; W333-T356 HydrophobicContact CE3-CG2 3.58Å; W333-T356 HydrophobicContact CG-CG2 4.28Å; W333-T356 HydrophobicContact CZ3-CG2 4.32Å; Y350-T356 PolarHBondContact O-OG1 3.06Å; S353-T356 WeakPolarHBondContact CB-OG1 3.39Å; S353-T356 PolarHBondContact O-N 3.15Å; S353-T356 PolarHBondContact O-OG1 2.82Å; I354-T356 VanDerWaalsContact C-N 3.31Å; T356-Q436 PolarHBondContact O-NE2 2.96Å
357	L	98.6	Very high	96.9	Very high	3 Å²	3	14.3 Å²	14.3	2%	0.016	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	93.9	165.4	-161.5	172.1	0	0	0	106.9	F331 W333 V359 L379 L435 V439	F331-L357 WeakPolarHBondContact O-CB 3.41Å; F331-L357 PolarHBondContact O-N 3.05Å; W333-L357 PolarHBondContact N-O 3.06Å; L357-V359 HydrophobicContact CD2-CG2 3.52Å; L357-L379 HydrophobicContact CD2-CB 4.42Å; L357-L379 HydrophobicContact CD2-CD2 4.14Å; L357-L379 HydrophobicContact CG-CD2 3.89Å; L357-L435 HydrophobicContact CD1-CD2 4.11Å; L357-V439 HydrophobicContact CD1-CG2 4.25Å
358	G	98.2	Very high	96.8	Very high	2 Å²	2	16.3 Å²	16.3	2%	0.021	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	127	178.9	0	0	0	0	0	112.1	T351 L379	T351-G358 WeakPolarHBondContact OG1-CA 3.04Å; G358-L379 PolarHBondContact O-N 2.8Å
359	V	98.8	Very high	96.8	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	116.8	-172.5	-177.1	0	0	0	0	110.7	V332 W333 S335 L357 A380 T382 A416	V332-V359 HydrophobicContact CG1-CG2 3.84Å; W333-V359 PolarHBondContact O-N 3.48Å; S335-V359 PolarHBondContact N-O 2.89Å; L357-V359 HydrophobicContact CD2-CG2 3.52Å; V359-A380 WeakPolarHBondContact CA-O 3.19Å; V359-T382 HydrophobicContact CG1-CG2 4.34Å; V359-A416 HydrophobicContact CB-CB 4.37Å; V359-A416 HydrophobicContact CG1-CB 3.94Å; V359-A416 HydrophobicContact CG2-CB 3.66Å
360	G	98.5	Very high	96.8	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.01	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-178.4	169.1	0	0	0	0	0	113.1	S335 A380 V381 T382 S412	S335-G360 VanDerWaalsContact OG-CA 3.25Å; S335-G360 WeakPolarHBondContact OG-CA 3.48Å; G360-A380 PolarHBondContact N-O 3.38Å; G360-V381 VanDerWaalsContact C-CG1 3.42Å; G360-V381 VanDerWaalsContact O-CA 3.27Å; G360-V381 WeakPolarHBondContact O-CA 3.41Å; G360-V381 VanDerWaalsContact O-CB 3.26Å; G360-V381 WeakPolarHBondContact O-CB 3.49Å; G360-V381 WeakPolarHBondContact O-CG1 3.5Å; G360-T382 PolarHBondContact O-N 3.41Å; G360-S412 WeakPolarHBondContact O-CB 3.49Å
361	S	98.2	Very high	96.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	149.3	179.5	-65.7	0	0	0	0	113.5	P369 Y371 T382 S384 G408 T409 S412	S361-P369 WeakPolarHBondContact O-CD 3.46Å; S361-Y371 WeakPolarHBondContact CB-OH 3.38Å; S361-T382 WeakPolarHBondContact CA-O 3.34Å; S361-S384 WeakPolarHBondContact OG-CB 3.2Å; S361-G408 PolarHBondContact OG-O 3.4Å; S361-T409 VanDerWaalsContact OG-CA 3.27Å; S361-T409 WeakPolarHBondContact OG-CA 3.48Å; S361-S412 WeakPolarHBondContact CA-OG 3.5Å; S361-S412 WeakPolarHBondContact CB-OG 3.28Å; S361-S412 WeakPolarHBondContact OG-CB 3.5Å; S361-S412 PolarHBondContact OG-OG 2.97Å
362	V	96.6	Very high	96.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	142.5	159.4	58.4	0	0	0	0	111.3	G366 V381 T382 Y383 S384 L448 F466 L470	V362-G366 VanDerWaalsContact CG2-CA 3.43Å; V362-V381 HydrophobicContact CB-CG2 4.19Å; V362-V381 HydrophobicContact CG1-CG2 3.95Å; V362-T382 WeakPolarHBondContact CG1-O 3.42Å; V362-T382 PolarHBondContact N-O 3.42Å; V362-Y383 HydrophobicContact CG1-CD1 3.69Å; V362-Y383 HydrophobicContact CG1-CE1 3.85Å; V362-Y383 HydrophobicContact CG1-CG 4.38Å; V362-Y383 WeakPolarHBondContact O-CA 3.34Å; V362-S384 PolarHBondContact O-N 2.88Å; V362-L448 HydrophobicContact CB-CD2 4.48Å; V362-L448 HydrophobicContact CG1-CD2 4.28Å; V362-L448 HydrophobicContact CG2-CD2 3.95Å; V362-F466 HydrophobicContact CB-CD1 4.28Å; V362-F466 HydrophobicContact CB-CE1 3.69Å; V362-F466 HydrophobicContact CB-CZ 4.42Å; V362-F466 HydrophobicContact CG2-CE1 3.77Å; V362-F466 HydrophobicContact CG2-CZ 3.99Å; V362-L470 HydrophobicContact CG1-CD1 4.16Å
363	S	95.8	Very high	96.9	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.007	11%	0.11	C	C	.	.			trans	-72.5	171.8	-178.7	88.8	0	0	0	0	113.3	H365 G366 S367 E390	S363-H365 PolarHBondContact O-N 3.32Å; S363-H365 PolarHBondContact OG-N 2.99Å; S363-G366 PolarHBondContact O-N 3.29Å; S363-S367 WeakPolarHBondContact CB-O 3.21Å; S363-S367 PolarHBondContact N-O 3.28Å; S363-S367 PolarHBondContact OG-N 3.35Å; S363-S367 PolarHBondContact OG-O 3.48Å; S363-S367 PolarHBondContact OG-OG 2.72Å; S363-E390 WeakPolarHBondContact CB-OE1 3.3Å; S363-E390 PolarHBondContact OG-OE1 2.99Å; S363-E390 PolarHBondContact OG-OE2 2.84Å
364	E	93	Very high	96.9	Very high	21 Å²	21	25.6 Å²	25.6	10%	0.098	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-39.6	177.7	-175	174.5	172.2	0	0	113.1	W159 R163 E390 R391	W159-E364 HydrophobicContact CD2-CG 4.05Å; W159-E364 HydrophobicContact CE3-CB 4.36Å; W159-E364 HydrophobicContact CE3-CG 3.87Å; W159-E364 VanDerWaalsContact CH2-CA 3.46Å; W159-E364 HydrophobicContact CH2-CB 3.78Å; W159-E364 HydrophobicContact CH2-CG 4.22Å; W159-E364 HydrophobicContact CZ2-CB 4.04Å; W159-E364 HydrophobicContact CZ2-CG 4.41Å; W159-E364 HydrophobicContact CZ3-CB 3.97Å; W159-E364 HydrophobicContact CZ3-CG 3.96Å; R163-E364 PolarHBondContact NH1-O 3.27Å; R163-E364 IonicContact NH1-OE1 3.48Å; R163-E364 PolarHBondContact NH2-O 3.16Å; E364-E390 HydrophobicContact CB-CB 3.98Å; E364-E390 HydrophobicContact CB-CG 4.06Å; E364-E390 PolarHBondContact N-OE1 3.31Å; E364-R391 IonicContact OE1-CZ 3.72Å; E364-R391 IonicContact OE1-NE 3.08Å; E364-R391 PolarHBondContact OE1-NE 3.43Å; E364-R391 IonicContact OE1-NH2 3.41Å; E364-R391 PolarHBondContact OE1-NH2 3.11Å; E364-R391 WeakPolarHBondContact OE2-CB 3.25Å; E364-R391 WeakPolarHBondContact OE2-CG 3.35Å; E364-R391 IonicContact OE2-CZ 3.42Å; E364-R391 PolarHBondContact OE2-N 3.09Å; E364-R391 VanDerWaalsContact OE2-N 3.1Å; E364-R391 IonicContact OE2-NE 3.97Å; E364-R391 PolarHBondContact OE2-NE 3.05Å; E364-R391 IonicContact OE2-NH2 3.63Å
365	H	92.1	Very high	96.9	Very high	117 Å²	117	25.4 Å²	25.4	54%	0.542	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	0.3	-179.7	-60	128.3	0	0	0	115	S363 E390 Y449	S363-H365 PolarHBondContact O-N 3.32Å; S363-H365 PolarHBondContact OG-N 2.99Å; H365-E390 WeakPolarHBondContact CB-OE1 3.24Å; H365-E390 VanDerWaalsContact CE1-CG 3.47Å; H365-E390 WeakPolarHBondContact CE1-CG 3.4Å; H365-E390 IonicContact CE1-OE1 3.53Å; H365-E390 IonicContact CG-OE1 3.22Å; H365-E390 PolarHBondContact N-OE1 2.82Å; H365-E390 VanDerWaalsContact ND1-CD 3.3Å; H365-E390 VanDerWaalsContact ND1-CG 3.33Å; H365-E390 WeakPolarHBondContact ND1-CG 3.45Å; H365-E390 IonicContact ND1-OE1 3.3Å; H365-E390 PolarHBondContact ND1-OE1 2.78Å; H365-E390 VanDerWaalsContact ND1-OE1 3.08Å; H365-Y449 WeakPolarHBondContact O-CE2 3.43Å
366	G	93.6	Very high	96.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	89.2	8.4	-178.7	0	0	0	0	0	114.9	V362 S363 L448 Y449	V362-G366 VanDerWaalsContact CG2-CA 3.43Å; S363-G366 PolarHBondContact O-N 3.29Å; G366-L448 CarbonylContact O-C 3.6Å; G366-L448 WeakPolarHBondContact O-CA 3.38Å; G366-Y449 PolarHBondContact O-N 2.64Å
367	S	95.3	Very high	96.9	Very high	43 Å²	43	23.2 Å²	23.2	30%	0.301	11%	0.114	S	C	.	.	B	Isolated β-bridge	trans	-91.4	157.8	178.8	33	0	0	0	0	112.9	S363 P369	S363-S367 WeakPolarHBondContact CB-O 3.21Å; S363-S367 PolarHBondContact N-O 3.28Å; S363-S367 PolarHBondContact OG-N 3.35Å; S363-S367 PolarHBondContact OG-O 3.48Å; S363-S367 PolarHBondContact OG-OG 2.72Å; S367-P369 WeakPolarHBondContact O-CD 3.3Å
368	V	97.1	Very high	96.9	Very high	46 Å²	46	23.1 Å²	23.1	28%	0.279	11%	0.113	S	C	.	.	P	Polyproline II helix	trans	-63.7	121.8	171.7	-174.9	0	0	0	0	109.3	A372 L374 A450 A465 F466	V368-A372 HydrophobicContact CG1-CB 4.04Å; V368-L374 HydrophobicContact CG1-CD1 4.33Å; V368-A450 HydrophobicContact CG2-CB 3.9Å; V368-A465 HydrophobicContact CG1-CB 4.17Å; V368-A465 HydrophobicContact CG2-CB 3.71Å; V368-F466 HydrophobicContact CB-CZ 4.38Å; V368-F466 HydrophobicContact CG2-CE1 3.96Å; V368-F466 HydrophobicContact CG2-CE2 3.93Å; V368-F466 HydrophobicContact CG2-CZ 3.53Å
369	P	97.1	Very high	97	Very high	6 Å²	6	23.2 Å²	23.2	4%	0.039	11%	0.113	C	C	.	.	P	Polyproline II helix	trans	-67.6	152.9	176.6	-21.3	34.4	0	0	0	112.6	S361 S367 Y371 A372	S361-P369 WeakPolarHBondContact O-CD 3.46Å; S367-P369 WeakPolarHBondContact O-CD 3.3Å; P369-Y371 HydrophobicContact CB-CD1 3.89Å; P369-Y371 HydrophobicContact CB-CD2 4.34Å; P369-Y371 HydrophobicContact CB-CE1 3.36Å; P369-Y371 HydrophobicContact CB-CE2 3.87Å; P369-Y371 HydrophobicContact CB-CG 4.34Å; P369-Y371 HydrophobicContact CG-CE1 4.3Å; P369-Y371 HydrophobicContact CG-CE2 4.3Å; P369-Y371 PolarHBondContact O-N 2.84Å; P369-Y371 VanDerWaalsContact O-N 3.14Å; P369-A372 HydrophobicContact CB-CB 4.49Å; P369-A372 WeakPolarHBondContact O-CB 3.31Å; P369-A372 PolarHBondContact O-N 3.25Å
370	W	96.6	Very high	97	Very high	155 Å²	155	23.2 Å²	23.2	59%	0.587	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-22.7	-176	61.7	-93	0	0	0	114.7	T340 G386	T340-W370 HydrophobicContact CG2-CE3 3.69Å; T340-W370 HydrophobicContact CG2-CZ3 4.28Å; T340-W370 PolarHBondContact N-O 3.34Å; W370-G386 PolarHBondContact NE1-O 3.07Å
371	Y	97	Very high	97	Very high	5 Å²	5	23.2 Å²	23.2	2%	0.02	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-14.5	178.1	56	-97.5	0	0	0	113	N337 G339 S361 P369 E373 S384 S385 G408 T409	N337-Y371 CarbonylContact C-O 3.49Å; N337-Y371 WeakPolarHBondContact CA-O 3.32Å; G339-Y371 WeakPolarHBondContact CA-O 3.46Å; G339-Y371 PolarHBondContact N-O 3.03Å; S361-Y371 WeakPolarHBondContact CB-OH 3.38Å; P369-Y371 HydrophobicContact CB-CD1 3.89Å; P369-Y371 HydrophobicContact CB-CD2 4.34Å; P369-Y371 HydrophobicContact CB-CE1 3.36Å; P369-Y371 HydrophobicContact CB-CE2 3.87Å; P369-Y371 HydrophobicContact CB-CG 4.34Å; P369-Y371 HydrophobicContact CG-CE1 4.3Å; P369-Y371 HydrophobicContact CG-CE2 4.3Å; P369-Y371 PolarHBondContact O-N 2.84Å; P369-Y371 VanDerWaalsContact O-N 3.14Å; Y371-E373 PolarHBondContact O-N 3.28Å; Y371-S384 WeakPolarHBondContact OH-CB 3.26Å; Y371-S384 PolarHBondContact OH-OG 3.47Å; Y371-S385 WeakPolarHBondContact CE1-OG 3.26Å; Y371-S385 PolarHBondContact OH-O 3.12Å; Y371-S385 PolarHBondContact OH-OG 3.34Å; Y371-G408 VanDerWaalsContact CE2-C 3.42Å; Y371-G408 VanDerWaalsContact CE2-CA 3.41Å; Y371-T409 HydrophobicContact CD2-CG2 4.26Å; Y371-T409 HydrophobicContact CE2-CG2 4.09Å
372	A	97.7	Very high	97	Very high	4 Å²	4	23.2 Å²	23.2	3%	0.033	11%	0.113	C	C	.	.			trans	-67.9	131.9	-173.2	0	0	0	0	0	111.3	G339 V368 P369 L374	G339-A372 WeakPolarHBondContact CA-O 3.41Å; V368-A372 HydrophobicContact CG1-CB 4.04Å; P369-A372 HydrophobicContact CB-CB 4.49Å; P369-A372 WeakPolarHBondContact O-CB 3.31Å; P369-A372 PolarHBondContact O-N 3.25Å; A372-L374 WeakPolarHBondContact O-CD1 3.29Å
373	E	98.4	Very high	97	Very high	8 Å²	8	23.2 Å²	23.2	4%	0.037	11%	0.113	C	C	.	.			trans	-84.5	152.5	170.3	-64.9	179.2	-140.4	0	0	111.2	G336 N337 G338 D343 C345 Y371	G336-E373 WeakPolarHBondContact CA-OE1 3.45Å; N337-E373 PolarHBondContact N-OE1 3.12Å; G338-E373 VanDerWaalsContact CA-OE1 3.31Å; G338-E373 WeakPolarHBondContact CA-OE1 3.38Å; G338-E373 PolarHBondContact N-OE1 2.64Å; D343-E373 HydrophobicContact CB-CG 4.23Å; C345-E373 WeakPolarHBondContact CA-OE2 3.06Å; C345-E373 HydrophobicContact CB-CB 4.03Å; C345-E373 PolarHBondContact N-OE2 3.19Å; Y371-E373 PolarHBondContact O-N 3.28Å
374	L	97.9	Very high	97.1	Very high	74 Å²	74	23.1 Å²	23.1	39%	0.387	11%	0.113	S	C	.	.			trans	-117.6	111.8	-176.2	-77.2	72.6	0	0	0	109.3	N344 V368 A372 H464 A465	N344-L374 PolarHBondContact ND2-O 2.87Å; V368-L374 HydrophobicContact CG1-CD1 4.33Å; A372-L374 WeakPolarHBondContact O-CD1 3.29Å; L374-H464 WeakPolarHBondContact CA-O 3.35Å; L374-H464 HydrophobicContact CB-CB 4.31Å; L374-A465 HydrophobicContact CD1-CB 4.38Å; L374-A465 HydrophobicContact CD2-CB 3.99Å; L374-A465 HydrophobicContact CG-CB 3.79Å
375	C	98.3	Very high	97.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.113	C	C	.	.			trans	-150.9	160.1	-177.9	65.5	0	0	0	0	111.9	N344 C345 N346 S377 H464	N344-C375 WeakPolarHBondContact OD1-CB 3.31Å; C345-C375 VanDerWaalsContact C-SG 3.58Å; C345-C375 HydrophobicContact CB-CB 3.93Å; C345-C375 WeakPolarHBondContact CB-SG 3.37Å; C345-C375 WeakPolarHBondContact SG-CB 3.31Å; C345-C375 CovalentContact SG-SG 2.03Å; C345-C375 PolarHBondContact SG-SG 3.14Å; N346-C375 HydrophobicContact CB-CB 4.41Å; N346-C375 WeakPolarHBondContact OD1-CB 3.49Å; C375-S377 VanDerWaalsContact C-N 3.33Å; C375-S377 PolarHBondContact O-N 2.93Å; C375-S377 PolarHBondContact SG-OG 3.01Å; C375-H464 PolarHBondContact N-O 2.67Å
376	S	98.6	Very high	97.3	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-8.8	-175.2	53.8	0	0	0	0	115.3	N346 S566 L568 M587 S588 V589	N346-S376 PolarHBondContact ND2-OG 2.97Å; S376-S566 WeakPolarHBondContact CB-OG 3.49Å; S376-L568 WeakPolarHBondContact OG-CD2 3.5Å; S376-M587 CarbonylContact C-O 3.51Å; S376-M587 PolarHBondContact OG-O 2.89Å; S376-S588 WeakPolarHBondContact O-CA 3.42Å; S376-V589 PolarHBondContact O-N 3.09Å
377	S	98.5	Very high	97	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.014	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-23.7	176	58.6	0	0	0	0	113.9	N346 C375 L379	N346-S377 WeakPolarHBondContact OD1-CB 3.49Å; N346-S377 PolarHBondContact OD1-N 3.21Å; N346-S377 PolarHBondContact OD1-OG 2.62Å; N346-S377 VanDerWaalsContact OD1-OG 3.12Å; C375-S377 VanDerWaalsContact C-N 3.33Å; C375-S377 PolarHBondContact O-N 2.93Å; C375-S377 PolarHBondContact SG-OG 3.01Å; S377-L379 PolarHBondContact O-N 3.19Å
378	T	98.7	Very high	96.6	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.006	14%	0.139	C	C	.	.			trans	-62.9	119.7	-178.4	-68.6	0	0	0	0	111.5	V381 G467	T378-V381 HydrophobicContact CG2-CG1 4.49Å; T378-G467 VanDerWaalsContact O-CA 3.22Å; T378-G467 WeakPolarHBondContact O-CA 3.4Å
379	L	98.6	Very high	96.2	Very high	4 Å²	4	31 Å²	31	2%	0.021	17%	0.165	C	C	.	.			trans	-84.8	-40.2	-173.9	-164.6	72.2	0	0	0	112.5	L357 G358 S377 Q436 V439 V440 Y468 V589 W592	L357-L379 HydrophobicContact CD2-CB 4.42Å; L357-L379 HydrophobicContact CD2-CD2 4.14Å; L357-L379 HydrophobicContact CG-CD2 3.89Å; G358-L379 PolarHBondContact O-N 2.8Å; S377-L379 PolarHBondContact O-N 3.19Å; L379-Q436 HydrophobicContact CD2-CB 3.91Å; L379-Q436 HydrophobicContact CD2-CG 3.97Å; L379-V439 HydrophobicContact CD2-CB 3.99Å; L379-V439 HydrophobicContact CD2-CG1 3.89Å; L379-V439 HydrophobicContact CG-CG1 4.05Å; L379-V440 HydrophobicContact CD1-CG2 3.55Å; L379-V440 HydrophobicContact CG-CG2 4.14Å; L379-Y468 PolarHBondContact O-N 3.03Å; L379-V589 HydrophobicContact CD1-CB 3.94Å; L379-V589 HydrophobicContact CD1-CG1 3.96Å; L379-V589 HydrophobicContact CD1-CG2 3.94Å; L379-W592 HydrophobicContact CD1-CE3 4.35Å; L379-W592 HydrophobicContact CD1-CZ3 4.22Å
380	A	98.6	Very high	96	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	179.6	-177.3	0	0	0	0	0	110.5	V359 G360 V439 A443 G469 M471	V359-A380 WeakPolarHBondContact CA-O 3.19Å; G360-A380 PolarHBondContact N-O 3.38Å; A380-V439 HydrophobicContact CB-CG1 3.39Å; A380-A443 HydrophobicContact CB-CB 4.47Å; A380-G469 WeakPolarHBondContact CA-O 3.32Å; A380-G469 WeakPolarHBondContact CB-O 3.23Å; A380-M471 HydrophobicContact CB-CG 3.89Å
381	V	98.5	Very high	95.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	159	174.9	-62.8	0	0	0	0	113	G360 V362 T378 L448 F466 G469 L470 M471	G360-V381 VanDerWaalsContact C-CG1 3.42Å; G360-V381 VanDerWaalsContact O-CA 3.27Å; G360-V381 WeakPolarHBondContact O-CA 3.41Å; G360-V381 VanDerWaalsContact O-CB 3.26Å; G360-V381 WeakPolarHBondContact O-CB 3.49Å; G360-V381 WeakPolarHBondContact O-CG1 3.5Å; V362-V381 HydrophobicContact CB-CG2 4.19Å; V362-V381 HydrophobicContact CG1-CG2 3.95Å; T378-V381 HydrophobicContact CG2-CG1 4.49Å; V381-L448 HydrophobicContact CG2-CD1 4.4Å; V381-F466 HydrophobicContact CG1-CB 4.42Å; V381-F466 HydrophobicContact CG1-CD1 4.07Å; V381-F466 HydrophobicContact CG2-CB 4.24Å; V381-F466 HydrophobicContact CG2-CD1 3.87Å; V381-F466 HydrophobicContact CG2-CG 4.41Å; V381-G469 PolarHBondContact N-O 3.21Å; V381-L470 WeakPolarHBondContact O-CA 2.94Å; V381-M471 PolarHBondContact O-N 3.04Å
382	T	98.2	Very high	95.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	173.1	165.9	58.6	0	0	0	0	109.2	M171 V359 G360 S361 V362 S412 L415 A416 I419 M471	M171-T382 HydrophobicContact SD-CG2 3.8Å; V359-T382 HydrophobicContact CG1-CG2 4.34Å; G360-T382 PolarHBondContact O-N 3.41Å; S361-T382 WeakPolarHBondContact CA-O 3.34Å; V362-T382 WeakPolarHBondContact CG1-O 3.42Å; V362-T382 PolarHBondContact N-O 3.42Å; T382-S412 PolarHBondContact O-OG 3.44Å; T382-S412 VanDerWaalsContact OG1-C 3.22Å; T382-S412 WeakPolarHBondContact OG1-CA 3.41Å; T382-S412 WeakPolarHBondContact OG1-CB 3.44Å; T382-S412 PolarHBondContact OG1-O 3.03Å; T382-S412 PolarHBondContact OG1-OG 3.14Å; T382-L415 HydrophobicContact CG2-CB 4.42Å; T382-A416 HydrophobicContact CG2-CB 3.86Å; T382-I419 HydrophobicContact CG2-CD1 4.39Å; T382-M471 HydrophobicContact CG2-CB 4.28Å; T382-M471 HydrophobicContact CG2-CG 4.22Å; T382-M471 HydrophobicContact CG2-SD 3.67Å
383	Y	97.3	Very high	95.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	151.2	176.8	-72.8	-65.4	0	0	0	112.2	W159 L169 M171 V362 S412 L415 L470	W159-Y383 HydrophobicContact CE3-CG 4.47Å; W159-Y383 AromaticContact CH2-CD1 3.78Å; W159-Y383 HydrophobicContact CH2-CD1 3.78Å; W159-Y383 AromaticContact CH2-CG 3.91Å; W159-Y383 HydrophobicContact CH2-CG 3.91Å; W159-Y383 AromaticContact CZ3-CD1 3.37Å; W159-Y383 HydrophobicContact CZ3-CD1 3.37Å; W159-Y383 HydrophobicContact CZ3-CD2 4.21Å; W159-Y383 AromaticContact CZ3-CE1 3.99Å; W159-Y383 HydrophobicContact CZ3-CE1 3.99Å; W159-Y383 AromaticContact CZ3-CG 3.5Å; W159-Y383 HydrophobicContact CZ3-CG 3.5Å; W159-Y383 VanDerWaalsContact CZ3-CG 3.5Å; L169-Y383 WeakPolarHBondContact CB-OH 2.99Å; L169-Y383 PolarHBondContact O-OH 3.21Å; M171-Y383 HydrophobicContact CG-CD2 3.88Å; M171-Y383 HydrophobicContact CG-CE2 4.18Å; M171-Y383 HydrophobicContact SD-CD2 4.27Å; V362-Y383 HydrophobicContact CG1-CD1 3.69Å; V362-Y383 HydrophobicContact CG1-CE1 3.85Å; V362-Y383 HydrophobicContact CG1-CG 4.38Å; V362-Y383 WeakPolarHBondContact O-CA 3.34Å; Y383-S412 PolarHBondContact O-OG 3.49Å; Y383-L415 VanDerWaalsContact O-CD1 3.24Å; Y383-L415 WeakPolarHBondContact O-CD1 3.49Å; Y383-L470 HydrophobicContact CD2-CD1 4.06Å; Y383-L470 HydrophobicContact CE2-CD1 3.86Å; Y383-L470 HydrophobicContact CE2-CD2 3.6Å; Y383-L470 HydrophobicContact CE2-CG 4.38Å; Y383-L470 VanDerWaalsContact OH-CD2 3.26Å; Y383-L470 WeakPolarHBondContact OH-CD2 3.23Å
384	S	97.8	Very high	95.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.162	C	C	.	.			trans	-152.7	-163.6	165.8	-175.7	0	0	0	0	109.4	W159 S361 V362 Y371 G408 S412	W159-S384 WeakPolarHBondContact CH2-O 3.44Å; W159-S384 WeakPolarHBondContact CZ2-O 3.34Å; S361-S384 WeakPolarHBondContact OG-CB 3.2Å; V362-S384 PolarHBondContact O-N 2.88Å; Y371-S384 WeakPolarHBondContact OH-CB 3.26Å; Y371-S384 PolarHBondContact OH-OG 3.47Å; S384-G408 WeakPolarHBondContact CB-O 3.47Å; S384-G408 PolarHBondContact OG-N 2.9Å; S384-G408 PolarHBondContact OG-O 3.29Å; S384-S412 WeakPolarHBondContact CB-OG 3.34Å
385	S	96.4	Very high	95.9	Very high	16 Å²	16	26.4 Å²	26.4	11%	0.112	15%	0.145	C	C	.	.			trans	-60.1	160.5	171.2	64.1	0	0	0	0	112.7	Y371 S407 G408	Y371-S385 WeakPolarHBondContact CE1-OG 3.26Å; Y371-S385 PolarHBondContact OH-O 3.12Å; Y371-S385 PolarHBondContact OH-OG 3.34Å; S385-S407 VanDerWaalsContact OG-CA 3.31Å; S385-S407 WeakPolarHBondContact OG-CA 3.35Å; S385-S407 WeakPolarHBondContact OG-CB 3.48Å; S385-G408 PolarHBondContact OG-N 3.28Å
386	G	93.2	Very high	95.9	Very high	8 Å²	8	26.5 Å²	26.5	8%	0.082	15%	0.146	C	C	.	.			trans	-125.2	-147	-178	0	0	0	0	0	115	W370 E390	W370-G386 PolarHBondContact NE1-O 3.07Å; G386-E390 WeakPolarHBondContact CA-OE2 3.34Å
387	G	86.9	Confident	95.8	Very high	33 Å²	33	27.4 Å²	27.4	34%	0.34	15%	0.151	S	C	.	.	S	Bend	trans	-75.3	-174.4	167.7	0	0	0	0	0	113	G389 E390	G387-G389 PolarHBondContact O-N 2.81Å; G387-G389 VanDerWaalsContact O-N 3.13Å; G387-E390 PolarHBondContact N-OE2 2.82Å; G387-E390 PolarHBondContact O-N 2.83Å
388	R	86.5	Confident	95.7	Very high	256 Å²	256	27.5 Å²	27.5	97%	0.966	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	116	-176.3	-67.5	-175.1	176.2	-155.5	-3	111.5
389	G	89.5	Confident	95.5	Very high	80 Å²	80	31.4 Å²	31.4	83%	0.825	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	98.3	-5.4	177.3	0	0	0	0	0	115	G387	G387-G389 PolarHBondContact O-N 2.81Å; G387-G389 VanDerWaalsContact O-N 3.13Å
390	E	93.2	Very high	95.3	Very high	31 Å²	31	35.7 Å²	35.7	15%	0.145	19%	0.192	C	C	.	.			trans	-78.5	150.2	165.1	-68.8	-179.9	101.5	0	0	110.4	S363 E364 H365 G386 G387	S363-E390 WeakPolarHBondContact CB-OE1 3.3Å; S363-E390 PolarHBondContact OG-OE1 2.99Å; S363-E390 PolarHBondContact OG-OE2 2.84Å; E364-E390 HydrophobicContact CB-CB 3.98Å; E364-E390 HydrophobicContact CB-CG 4.06Å; E364-E390 PolarHBondContact N-OE1 3.31Å; H365-E390 WeakPolarHBondContact CB-OE1 3.24Å; H365-E390 VanDerWaalsContact CE1-CG 3.47Å; H365-E390 WeakPolarHBondContact CE1-CG 3.4Å; H365-E390 IonicContact CE1-OE1 3.53Å; H365-E390 IonicContact CG-OE1 3.22Å; H365-E390 PolarHBondContact N-OE1 2.82Å; H365-E390 VanDerWaalsContact ND1-CD 3.3Å; H365-E390 VanDerWaalsContact ND1-CG 3.33Å; H365-E390 WeakPolarHBondContact ND1-CG 3.45Å; H365-E390 IonicContact ND1-OE1 3.3Å; H365-E390 PolarHBondContact ND1-OE1 2.78Å; H365-E390 VanDerWaalsContact ND1-OE1 3.08Å; G386-E390 WeakPolarHBondContact CA-OE2 3.34Å; G387-E390 PolarHBondContact N-OE2 2.82Å; G387-E390 PolarHBondContact O-N 2.83Å
391	R	94.2	Very high	95.2	Very high	102 Å²	102	38.7 Å²	38.7	39%	0.385	21%	0.21	S	C	.	.			trans	-78.1	150.6	-178.4	-68.5	178	-76.3	175.9	-11.9	112.3	Q157 E364	Q157-R391 PolarHBondContact O-NH1 2.65Å; E364-R391 IonicContact OE1-CZ 3.72Å; E364-R391 IonicContact OE1-NE 3.08Å; E364-R391 PolarHBondContact OE1-NE 3.43Å; E364-R391 IonicContact OE1-NH2 3.41Å; E364-R391 PolarHBondContact OE1-NH2 3.11Å; E364-R391 WeakPolarHBondContact OE2-CB 3.25Å; E364-R391 WeakPolarHBondContact OE2-CG 3.35Å; E364-R391 IonicContact OE2-CZ 3.42Å; E364-R391 PolarHBondContact OE2-N 3.09Å; E364-R391 VanDerWaalsContact OE2-N 3.1Å; E364-R391 IonicContact OE2-NE 3.97Å; E364-R391 PolarHBondContact OE2-NE 3.05Å; E364-R391 IonicContact OE2-NH2 3.63Å
392	G	95.6	Very high	95.2	Very high	8 Å²	8	40.6 Å²	40.6	8%	0.082	22%	0.223	C	C	.	.			trans	-76.4	-176.4	165.3	0	0	0	0	0	112.6	W159 H406	W159-G392 PolarHBondContact NE1-O 2.8Å; G392-H406 WeakPolarHBondContact CA-O 3.18Å
393	V	97.8	Very high	95.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	145.5	170.3	-161.9	0	0	0	0	109.8	Y160 E243 D404 H406 A411 L415	Y160-V393 HydrophobicContact CD1-CG1 4.32Å; Y160-V393 HydrophobicContact CD2-CG1 4.31Å; Y160-V393 HydrophobicContact CE1-CB 4.48Å; Y160-V393 HydrophobicContact CE1-CG1 3.74Å; Y160-V393 HydrophobicContact CE2-CG1 3.67Å; Y160-V393 WeakPolarHBondContact OH-CG1 3.2Å; E243-V393 HydrophobicContact CG-CG1 4.3Å; E243-V393 WeakPolarHBondContact OE2-CB 3.13Å; E243-V393 WeakPolarHBondContact OE2-CG1 3.07Å; V393-D404 CarbonylContact O-C 3.49Å; V393-H406 HydrophobicContact CB-CB 4.34Å; V393-H406 PolarHBondContact N-O 2.8Å; V393-H406 PolarHBondContact O-N 3.36Å; V393-H406 VanDerWaalsContact O-N 3.15Å; V393-A411 HydrophobicContact CB-CB 4.49Å; V393-A411 HydrophobicContact CG2-CB 3.96Å; V393-L415 HydrophobicContact CG1-CD1 4.16Å; V393-L415 HydrophobicContact CG2-CD1 4.45Å
394	I	98.1	Very high	95	Very high	9 Å²	9	44.5 Å²	44.5	5%	0.046	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	125.3	-178.9	-62.7	167.7	0	0	0	109	K154 Q157 M158 Y160 T403 D404	K154-I394 HydrophobicContact CB-CD1 4.47Å; K154-I394 HydrophobicContact CB-CG2 3.69Å; K154-I394 HydrophobicContact CD-CG2 4.29Å; K154-I394 HydrophobicContact CG-CG2 4Å; Q157-I394 HydrophobicContact CB-CD1 3.38Å; M158-I394 HydrophobicContact CG-CB 4.14Å; M158-I394 HydrophobicContact CG-CD1 4.17Å; M158-I394 HydrophobicContact CG-CG2 4.27Å; Y160-I394 WeakPolarHBondContact OH-CA 3.1Å; Y160-I394 WeakPolarHBondContact OH-CB 3.49Å; Y160-I394 PolarHBondContact OH-N 3.45Å; Y160-I394 PolarHBondContact OH-O 3.43Å; I394-T403 VanDerWaalsContact CA-O 3.3Å; I394-T403 WeakPolarHBondContact CA-O 3.43Å; I394-D404 HydrophobicContact CD1-CB 4.46Å; I394-D404 HydrophobicContact CG1-CB 3.79Å
395	T	98.6	Very high	94.8	Very high	5 Å²	5	49.6 Å²	49.6	3%	0.031	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	175.4	-176.8	-171.5	0	0	0	0	111.2	R239 G242 E243 C253 T403 H406	R239-T395 HydrophobicContact CB-CG2 3.71Å; R239-T395 HydrophobicContact CG-CG2 4.02Å; R239-T395 WeakPolarHBondContact O-CG2 3.26Å; R239-T395 PolarHBondContact O-OG1 2.99Å; G242-T395 VanDerWaalsContact CA-OG1 3.31Å; G242-T395 WeakPolarHBondContact CA-OG1 3.3Å; E243-T395 HydrophobicContact CG-CG2 4.14Å; E243-T395 PolarHBondContact N-OG1 2.95Å; C253-T395 PolarHBondContact SG-O 3.32Å; C253-T395 VanDerWaalsContact SG-O 3.36Å; T395-T403 HydrophobicContact CG2-CG2 3.76Å; T395-T403 PolarHBondContact N-O 2.77Å; T395-T403 PolarHBondContact O-N 2.57Å; T395-H406 HydrophobicContact CG2-CB 4.07Å
396	T	98.4	Very high	94.9	Very high	1 Å²	1	49 Å²	49	1%	0.006	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	150.3	171.6	47.4	0	0	0	0	111.7	H199 D201 L202 T238 R239 G242 A246	H199-T396 WeakPolarHBondContact CE1-CG2 3.36Å; D201-T396 HydrophobicContact CB-CG2 3.68Å; L202-T396 HydrophobicContact CD1-CG2 4.44Å; L202-T396 HydrophobicContact CD2-CG2 3.96Å; L202-T396 HydrophobicContact CG-CG2 4.07Å; T238-T396 PolarHBondContact O-OG1 2.92Å; R239-T396 WeakPolarHBondContact CA-O 3.17Å; R239-T396 WeakPolarHBondContact CG-O 3.3Å; G242-T396 VanDerWaalsContact CA-OG1 3.26Å; G242-T396 WeakPolarHBondContact CA-OG1 3.35Å; G242-T396 PolarHBondContact N-OG1 3.28Å; A246-T396 HydrophobicContact CB-CG2 4.21Å
397	D	97.6	Very high	95	Very high	19 Å²	19	51.4 Å²	51.4	10%	0.102	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	155	-179.3	-161.9	15.8	0	0	0	109.7	H199 R239 T401 T403	H199-D397 PolarHBondContact NE2-N 3.35Å; H199-D397 PolarHBondContact NE2-O 3.09Å; R239-D397 HydrophobicContact CG-CB 4.49Å; R239-D397 IonicContact CZ-OD1 3.44Å; R239-D397 IonicContact CZ-OD2 3.14Å; R239-D397 VanDerWaalsContact NE-CG 3.31Å; R239-D397 IonicContact NE-OD1 2.85Å; R239-D397 PolarHBondContact NE-OD1 2.88Å; R239-D397 IonicContact NE-OD2 3.98Å; R239-D397 VanDerWaalsContact NH2-CG 3.34Å; R239-D397 IonicContact NH2-OD1 3.02Å; R239-D397 PolarHBondContact NH2-OD1 3.3Å; R239-D397 IonicContact NH2-OD2 2.64Å; R239-D397 PolarHBondContact NH2-OD2 2.56Å; D397-T401 PolarHBondContact N-O 2.84Å; D397-T401 VanDerWaalsContact N-O 3.08Å; D397-T401 CarbonylContact O-C 3.59Å; D397-T401 WeakPolarHBondContact O-CA 3.48Å; D397-T401 PolarHBondContact O-N 3.48Å; D397-T401 PolarHBondContact O-OG1 2.81Å; D397-T403 HydrophobicContact CB-CG2 4.31Å
398	L	95.3	Very high	95.4	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.021	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	157.6	-168.3	-69.5	-170	0	0	0	114.5	E196 P223 Y225 N232 N234 R235 T238 T401	E196-L398 HydrophobicContact CB-CD2 4.17Å; E196-L398 VanDerWaalsContact OE1-CA 3.28Å; E196-L398 WeakPolarHBondContact OE1-CA 3.42Å; P223-L398 HydrophobicContact CB-CD2 4.24Å; P223-L398 HydrophobicContact CG-CD2 3.52Å; Y225-L398 HydrophobicContact CD1-CD1 4.4Å; Y225-L398 HydrophobicContact CE1-CB 4.21Å; Y225-L398 HydrophobicContact CE1-CD1 4.09Å; Y225-L398 HydrophobicContact CE1-CD2 4.18Å; Y225-L398 HydrophobicContact CE1-CG 4.39Å; N232-L398 HydrophobicContact CB-CD1 4.16Å; N234-L398 WeakPolarHBondContact O-CD1 3.42Å; R235-L398 HydrophobicContact CB-CB 4.48Å; R235-L398 HydrophobicContact CB-CD1 3.86Å; R235-L398 HydrophobicContact CB-CG 3.61Å; T238-L398 HydrophobicContact CG2-CD2 4.09Å; L398-T401 WeakPolarHBondContact O-CG2 3.42Å; L398-T401 PolarHBondContact O-OG1 3.21Å
399	N	94.2	Very high	95.9	Very high	83 Å²	83	38 Å²	38	44%	0.444	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	66	41	-175.3	-45.5	-104.2	0	0	0	111.2	E196 N232 T401	E196-N399 PolarHBondContact OE1-N 3.41Å; N232-N399 PolarHBondContact ND2-ND2 2.72Å; N232-N399 VanDerWaalsContact ND2-ND2 3.14Å; N399-T401 VanDerWaalsContact C-N 3.27Å; N399-T401 HydrophobicContact CB-CG2 4.43Å; N399-T401 WeakPolarHBondContact O-CG2 3.45Å; N399-T401 PolarHBondContact O-N 2.99Å
400	H	95.9	Very high	96.1	Very high	94 Å²	94	34.7 Å²	34.7	44%	0.435	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	31	177.9	-43.2	96.1	0	0	0	113.3	E196 D198 H199 P200	E196-H400 PolarHBondContact OE1-N 3.41Å; E196-H400 WeakPolarHBondContact OE2-CA 3.42Å; E196-H400 IonicContact OE2-CD2 2.7Å; E196-H400 PolarHBondContact OE2-CD2 3.01Å; E196-H400 IonicContact OE2-CG 3.51Å; E196-H400 PolarHBondContact OE2-N 3.21Å; E196-H400 IonicContact OE2-NE2 3.27Å; D198-H400 VanDerWaalsContact CG-NE2 3.3Å; D198-H400 IonicContact OD1-CD2 3.48Å; D198-H400 IonicContact OD1-CE1 3.11Å; D198-H400 IonicContact OD1-NE2 2.65Å; D198-H400 PolarHBondContact OD1-NE2 2.96Å; D198-H400 IonicContact OD2-NE2 2.83Å; D198-H400 PolarHBondContact OD2-NE2 3.39Å; H199-H400 VanDerWaalsContact NE2-C 3.29Å; P200-H400 HydrophobicContact CG-CB 4.21Å
401	T	96.7	Very high	96.4	Very high	63 Å²	63	33.2 Å²	33.2	39%	0.387	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	-172.4	-172.6	72.9	0	0	0	0	113.6	H199 D397 L398 N399	H199-T401 WeakPolarHBondContact NE2-CA 3.4Å; H199-T401 PolarHBondContact NE2-N 2.88Å; H199-T401 PolarHBondContact NE2-O 2.83Å; D397-T401 PolarHBondContact N-O 2.84Å; D397-T401 VanDerWaalsContact N-O 3.08Å; D397-T401 CarbonylContact O-C 3.59Å; D397-T401 WeakPolarHBondContact O-CA 3.48Å; D397-T401 PolarHBondContact O-N 3.48Å; D397-T401 PolarHBondContact O-OG1 2.81Å; L398-T401 WeakPolarHBondContact O-CG2 3.42Å; L398-T401 PolarHBondContact O-OG1 3.21Å; N399-T401 VanDerWaalsContact C-N 3.27Å; N399-T401 HydrophobicContact CB-CG2 4.43Å; N399-T401 WeakPolarHBondContact O-CG2 3.45Å; N399-T401 PolarHBondContact O-N 2.99Å
402	C	97.6	Very high	96.6	Very high	41 Å²	41	28.3 Å²	28.3	28%	0.277	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	117.2	-169.5	177.8	0	0	0	0	110	K154 C253	K154-C402 VanDerWaalsContact CE-SG 3.56Å; C253-C402 WeakPolarHBondContact CA-SG 3.13Å; C253-C402 HydrophobicContact CB-CB 3.55Å; C253-C402 WeakPolarHBondContact CB-SG 3.37Å; C253-C402 WeakPolarHBondContact SG-CB 3.48Å; C253-C402 CovalentContact SG-SG 2.03Å; C253-C402 PolarHBondContact SG-SG 3.46Å
403	T	96.9	Very high	96.7	Very high	11 Å²	11	28 Å²	28	7%	0.067	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	154.9	-178	-160.7	0	0	0	0	112	R239 I394 T395 D397 N405 H406	R239-T403 HydrophobicContact CG-CG2 4.31Å; R239-T403 PolarHBondContact NH2-OG1 3.41Å; I394-T403 VanDerWaalsContact CA-O 3.3Å; I394-T403 WeakPolarHBondContact CA-O 3.43Å; T395-T403 HydrophobicContact CG2-CG2 3.76Å; T395-T403 PolarHBondContact N-O 2.77Å; T395-T403 PolarHBondContact O-N 2.57Å; D397-T403 HydrophobicContact CB-CG2 4.31Å; T403-N405 PolarHBondContact OG1-N 2.69Å; T403-H406 HydrophobicContact CG2-CB 4.18Å
404	D	95.1	Very high	96.8	Very high	70 Å²	70	28 Å²	28	37%	0.374	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	12.7	164.9	40.4	41.8	0	0	0	112.7	K154 V393 I394	K154-D404 IonicContact NZ-OD2 3.92Å; K154-D404 PolarHBondContact NZ-OD2 2.97Å; V393-D404 CarbonylContact O-C 3.49Å; I394-D404 HydrophobicContact CD1-CB 4.46Å; I394-D404 HydrophobicContact CG1-CB 3.79Å
405	N	93.9	Very high	96.8	Very high	107 Å²	107	27.6 Å²	27.6	57%	0.572	16%	0.157	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-132.4	47.7	-177.4	-52.5	-79.7	0	0	0	111.3	R239 T403	R239-N405 PolarHBondContact NH1-O 2.7Å; T403-N405 PolarHBondContact OG1-N 2.69Å
406	H	96.7	Very high	96.8	Very high	4 Å²	4	27.3 Å²	27.3	2%	0.019	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	153.4	156.9	-164	29.4	0	0	0	110	H236 E243 G392 V393 T395 T403	H236-H406 AromaticContact CD2-CE1 3.95Å; H236-H406 AromaticContact NE2-CE1 3.69Å; E243-H406 IonicContact OE1-CD2 2.63Å; E243-H406 PolarHBondContact OE1-CD2 2.83Å; E243-H406 IonicContact OE1-NE2 3.79Å; E243-H406 IonicContact OE2-CD2 3.29Å; E243-H406 PolarHBondContact OE2-CD2 2.84Å; G392-H406 WeakPolarHBondContact CA-O 3.18Å; V393-H406 HydrophobicContact CB-CB 4.34Å; V393-H406 PolarHBondContact N-O 2.8Å; V393-H406 PolarHBondContact O-N 3.36Å; V393-H406 VanDerWaalsContact O-N 3.15Å; T395-H406 HydrophobicContact CG2-CB 4.07Å; T403-H406 HydrophobicContact CG2-CB 4.18Å
407	S	96.2	Very high	96.8	Very high	59 Å²	59	27.3 Å²	27.3	41%	0.413	16%	0.155	S	C	.	.			trans	-170.2	157.9	-152.4	56.2	0	0	0	0	112	S385	S385-S407 VanDerWaalsContact OG-CA 3.31Å; S385-S407 WeakPolarHBondContact OG-CA 3.35Å; S385-S407 WeakPolarHBondContact OG-CB 3.48Å
408	G	95.4	Very high	96.9	Very high	6 Å²	6	26.4 Å²	26.4	6%	0.062	15%	0.15	C	C	.	.	S	Bend	trans	92.2	172	-179.5	0	0	0	0	0	112.2	N337 S361 Y371 S384 S385 S410 A411	N337-G408 VanDerWaalsContact OD1-CA 3.22Å; N337-G408 WeakPolarHBondContact OD1-CA 3.4Å; S361-G408 PolarHBondContact OG-O 3.4Å; Y371-G408 VanDerWaalsContact CE2-C 3.42Å; Y371-G408 VanDerWaalsContact CE2-CA 3.41Å; S384-G408 WeakPolarHBondContact CB-O 3.47Å; S384-G408 PolarHBondContact OG-N 2.9Å; S384-G408 PolarHBondContact OG-O 3.29Å; S385-G408 PolarHBondContact OG-N 3.28Å; G408-S410 PolarHBondContact O-N 3.45Å; G408-A411 PolarHBondContact O-N 2.97Å
409	T	96.1	Very high	97.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.6	-22.7	170.6	51.5	0	0	0	0	111.6	A334 G336 N337 S361 Y371 A411 S412 A413	A334-T409 WeakPolarHBondContact CB-O 3.38Å; G336-T409 VanDerWaalsContact C-OG1 3.28Å; G336-T409 WeakPolarHBondContact O-CB 3.06Å; G336-T409 WeakPolarHBondContact O-CG2 3.23Å; G336-T409 PolarHBondContact O-OG1 2.78Å; N337-T409 PolarHBondContact ND2-OG1 3.02Å; N337-T409 PolarHBondContact OD1-N 2.99Å; N337-T409 PolarHBondContact OD1-OG1 3.35Å; S361-T409 VanDerWaalsContact OG-CA 3.27Å; S361-T409 WeakPolarHBondContact OG-CA 3.48Å; Y371-T409 HydrophobicContact CD2-CG2 4.26Å; Y371-T409 HydrophobicContact CE2-CG2 4.09Å; T409-A411 PolarHBondContact O-N 3.24Å; T409-S412 WeakPolarHBondContact O-CA 3.28Å; T409-S412 WeakPolarHBondContact O-CB 3.45Å; T409-S412 PolarHBondContact O-N 2.86Å; T409-A413 PolarHBondContact O-N 3.09Å; T409-A413 VanDerWaalsContact O-N 3.14Å
410	S	95.7	Very high	97.3	Very high	11 Å²	11	22.2 Å²	22.2	8%	0.077	13%	0.128	C	C	.	.	H	α-helix	trans	-59.3	-26.1	173.8	-45.3	0	0	0	0	115.2	H236 S295 G408 P414	H236-S410 WeakPolarHBondContact NE2-CB 3.22Å; S295-S410 WeakPolarHBondContact OG-CA 3.38Å; S295-S410 PolarHBondContact OG-O 2.65Å; S295-S410 VanDerWaalsContact OG-O 3.11Å; G408-S410 PolarHBondContact O-N 3.45Å; S410-P414 WeakPolarHBondContact O-CD 3.22Å; S410-P414 VanDerWaalsContact O-CG 3.31Å; S410-P414 WeakPolarHBondContact O-CG 3.27Å
411	A	97.8	Very high	97.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-88.7	-19	171.1	0	0	0	0	0	112.4	E243 V393 G408 T409 L415	E243-A411 WeakPolarHBondContact OE2-CB 3.41Å; V393-A411 HydrophobicContact CB-CB 4.49Å; V393-A411 HydrophobicContact CG2-CB 3.96Å; G408-A411 PolarHBondContact O-N 2.97Å; T409-A411 PolarHBondContact O-N 3.24Å; A411-L415 WeakPolarHBondContact O-CD1 3.31Å; A411-L415 VanDerWaalsContact O-CG 3.31Å; A411-L415 WeakPolarHBondContact O-CG 3.42Å
412	S	98.6	Very high	97.5	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-77	-39.4	177.6	-76	0	0	0	0	113	G360 S361 T382 Y383 S384 T409 L415 A416	G360-S412 WeakPolarHBondContact O-CB 3.49Å; S361-S412 WeakPolarHBondContact CA-OG 3.5Å; S361-S412 WeakPolarHBondContact CB-OG 3.28Å; S361-S412 WeakPolarHBondContact OG-CB 3.5Å; S361-S412 PolarHBondContact OG-OG 2.97Å; T382-S412 PolarHBondContact O-OG 3.44Å; T382-S412 VanDerWaalsContact OG1-C 3.22Å; T382-S412 WeakPolarHBondContact OG1-CA 3.41Å; T382-S412 WeakPolarHBondContact OG1-CB 3.44Å; T382-S412 PolarHBondContact OG1-O 3.03Å; T382-S412 PolarHBondContact OG1-OG 3.14Å; Y383-S412 PolarHBondContact O-OG 3.49Å; S384-S412 WeakPolarHBondContact CB-OG 3.34Å; T409-S412 WeakPolarHBondContact O-CA 3.28Å; T409-S412 WeakPolarHBondContact O-CB 3.45Å; T409-S412 PolarHBondContact O-N 2.86Å; S412-L415 PolarHBondContact O-N 3.29Å; S412-A416 PolarHBondContact O-N 3.24Å
413	A	98.7	Very high	97.6	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-63.1	-43.6	178.8	0	0	0	0	0	114	V332 A334 T409 L415 A416 A417	V332-A413 HydrophobicContact CG1-CB 4.26Å; V332-A413 WeakPolarHBondContact CG1-O 3.33Å; A334-A413 HydrophobicContact CB-CB 4.05Å; T409-A413 PolarHBondContact O-N 3.09Å; T409-A413 VanDerWaalsContact O-N 3.14Å; A413-L415 PolarHBondContact O-N 3.02Å; A413-A416 CarbonylContact O-C 3.54Å; A413-A416 WeakPolarHBondContact O-CB 3.47Å; A413-A416 PolarHBondContact O-N 2.77Å; A413-A416 VanDerWaalsContact O-N 3.16Å; A413-A417 PolarHBondContact O-N 3.25Å
414	P	98.8	Very high	97.7	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-63.6	-40.2	174.8	-23.4	34.1	0	0	0	113.2	C240 E243 V244 S410 A416 A417 G418	C240-P414 HydrophobicContact CB-CB 4.09Å; C240-P414 HydrophobicContact CB-CG 3.53Å; C240-P414 WeakPolarHBondContact O-CB 3.26Å; E243-P414 HydrophobicContact CB-CB 3.97Å; E243-P414 WeakPolarHBondContact OE1-CB 3.31Å; E243-P414 WeakPolarHBondContact OE1-CG 3.27Å; V244-P414 HydrophobicContact CG2-CB 4.04Å; V244-P414 WeakPolarHBondContact CG2-O 3.37Å; S410-P414 WeakPolarHBondContact O-CD 3.22Å; S410-P414 VanDerWaalsContact O-CG 3.31Å; S410-P414 WeakPolarHBondContact O-CG 3.27Å; P414-A416 VanDerWaalsContact C-N 3.28Å; P414-A416 PolarHBondContact O-N 3.36Å; P414-A417 PolarHBondContact O-N 2.8Å; P414-G418 PolarHBondContact O-N 2.9Å
415	L	98.7	Very high	97.8	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.005	6%	0.063	C	C	.	.	H	α-helix	trans	-60.8	-39.3	173.3	-66.1	169.8	0	0	0	111.3	Y160 M171 E243 I257 T382 Y383 V393 A411 S412 A413 G418 I419	Y160-L415 HydrophobicContact CD2-CD1 4.25Å; Y160-L415 HydrophobicContact CD2-CD2 4Å; Y160-L415 HydrophobicContact CE2-CD2 3.94Å; M171-L415 HydrophobicContact CE-CB 4.22Å; M171-L415 HydrophobicContact CE-CD1 4.24Å; M171-L415 HydrophobicContact CE-CD2 4.29Å; M171-L415 HydrophobicContact CE-CG 4.5Å; E243-L415 HydrophobicContact CB-CD2 3.85Å; E243-L415 HydrophobicContact CB-CG 4.23Å; E243-L415 HydrophobicContact CG-CD2 4.23Å; I257-L415 HydrophobicContact CD1-CB 3.94Å; I257-L415 HydrophobicContact CD1-CD2 3.6Å; I257-L415 HydrophobicContact CD1-CG 4.37Å; I257-L415 WeakPolarHBondContact CD1-O 3.34Å; I257-L415 HydrophobicContact CG1-CD2 4.17Å; T382-L415 HydrophobicContact CG2-CB 4.42Å; Y383-L415 VanDerWaalsContact O-CD1 3.24Å; Y383-L415 WeakPolarHBondContact O-CD1 3.49Å; V393-L415 HydrophobicContact CG1-CD1 4.16Å; V393-L415 HydrophobicContact CG2-CD1 4.45Å; A411-L415 WeakPolarHBondContact O-CD1 3.31Å; A411-L415 VanDerWaalsContact O-CG 3.31Å; A411-L415 WeakPolarHBondContact O-CG 3.42Å; S412-L415 PolarHBondContact O-N 3.29Å; A413-L415 PolarHBondContact O-N 3.02Å; L415-G418 PolarHBondContact O-N 2.99Å; L415-I419 WeakPolarHBondContact O-CG1 3.41Å; L415-I419 PolarHBondContact O-N 3.48Å; L415-I419 VanDerWaalsContact O-N 3.15Å
416	A	98.8	Very high	98	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-66.6	-41.9	173.3	0	0	0	0	0	112.4	V332 V359 T382 S412 A413 P414 G418 I419 C420 M471	V332-A416 HydrophobicContact CG1-CB 3.87Å; V359-A416 HydrophobicContact CB-CB 4.37Å; V359-A416 HydrophobicContact CG1-CB 3.94Å; V359-A416 HydrophobicContact CG2-CB 3.66Å; T382-A416 HydrophobicContact CG2-CB 3.86Å; S412-A416 PolarHBondContact O-N 3.24Å; A413-A416 CarbonylContact O-C 3.54Å; A413-A416 WeakPolarHBondContact O-CB 3.47Å; A413-A416 PolarHBondContact O-N 2.77Å; A413-A416 VanDerWaalsContact O-N 3.16Å; P414-A416 VanDerWaalsContact C-N 3.28Å; P414-A416 PolarHBondContact O-N 3.36Å; A416-G418 VanDerWaalsContact C-N 3.3Å; A416-G418 PolarHBondContact O-N 3.46Å; A416-I419 CarbonylContact O-C 3.58Å; A416-I419 PolarHBondContact O-N 3.43Å; A416-C420 PolarHBondContact O-N 3.08Å; A416-C420 PolarHBondContact O-SG 3.3Å; A416-M471 HydrophobicContact CB-CE 4.1Å; A416-M471 HydrophobicContact CB-SD 3.5Å; A416-M471 WeakPolarHBondContact CB-SD 3.38Å
417	A	98.9	Very high	98	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-60.4	-37.6	174.8	0	0	0	0	0	112.2	V188 V244 V291 V332 A413 P414 C420 A421	V188-A417 HydrophobicContact CG1-CB 4.39Å; V244-A417 HydrophobicContact CG2-CB 4.26Å; V291-A417 HydrophobicContact CG1-CB 3.9Å; V332-A417 HydrophobicContact CB-CB 4.32Å; V332-A417 HydrophobicContact CG2-CB 4.22Å; A413-A417 PolarHBondContact O-N 3.25Å; P414-A417 PolarHBondContact O-N 2.8Å; A417-C420 WeakPolarHBondContact O-CB 3.47Å; A417-C420 PolarHBondContact O-N 2.86Å; A417-A421 PolarHBondContact O-N 2.78Å
418	G	98.8	Very high	98.1	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-60.8	-42.6	169.7	0	0	0	0	0	113	I257 P414 L415 A416 A421 L422	I257-G418 VanDerWaalsContact CG2-C 3.43Å; P414-G418 PolarHBondContact O-N 2.9Å; L415-G418 PolarHBondContact O-N 2.99Å; A416-G418 VanDerWaalsContact C-N 3.3Å; A416-G418 PolarHBondContact O-N 3.46Å; G418-A421 PolarHBondContact O-N 3.09Å; G418-L422 WeakPolarHBondContact O-CG 3.47Å; G418-L422 PolarHBondContact O-N 2.79Å
419	I	98.8	Very high	98.2	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-68.1	-37.5	175.6	-61.9	172.6	0	0	0	111.2	M171 I257 T382 L415 A416 A421 L422 T423 M471 A473 M476	M171-I419 HydrophobicContact CB-CD1 4.08Å; M171-I419 HydrophobicContact CG-CD1 4.39Å; M171-I419 HydrophobicContact SD-CD1 3.94Å; I257-I419 HydrophobicContact CD1-CG1 4.13Å; I257-I419 HydrophobicContact CG2-CG1 3.97Å; T382-I419 HydrophobicContact CG2-CD1 4.39Å; L415-I419 WeakPolarHBondContact O-CG1 3.41Å; L415-I419 PolarHBondContact O-N 3.48Å; L415-I419 VanDerWaalsContact O-N 3.15Å; A416-I419 CarbonylContact O-C 3.58Å; A416-I419 PolarHBondContact O-N 3.43Å; I419-A421 VanDerWaalsContact C-N 3.33Å; I419-A421 PolarHBondContact O-N 3.29Å; I419-L422 PolarHBondContact O-N 3.36Å; I419-T423 WeakPolarHBondContact O-CB 3.45Å; I419-T423 PolarHBondContact O-N 2.68Å; I419-T423 PolarHBondContact O-OG1 3.5Å; I419-M471 HydrophobicContact CB-CE 3.95Å; I419-M471 HydrophobicContact CD1-CB 3.79Å; I419-M471 HydrophobicContact CD1-CE 4.47Å; I419-M471 HydrophobicContact CG2-CE 3.87Å; I419-A473 HydrophobicContact CG1-CB 4.15Å; I419-A473 HydrophobicContact CG2-CB 3.81Å; I419-M476 HydrophobicContact CG2-CE 4.17Å; I419-M476 HydrophobicContact CG2-SD 3.48Å; I419-M476 WeakPolarHBondContact CG2-SD 3.28Å
420	C	98.8	Very high	98.3	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-57.7	-46.1	170.4	-66.7	0	0	0	0	110.8	V291 A416 A417 T423 L424 L435	V291-C420 HydrophobicContact CG1-CB 4.41Å; V291-C420 HydrophobicContact CG2-CB 4.31Å; A416-C420 PolarHBondContact O-N 3.08Å; A416-C420 PolarHBondContact O-SG 3.3Å; A417-C420 WeakPolarHBondContact O-CB 3.47Å; A417-C420 PolarHBondContact O-N 2.86Å; C420-T423 WeakPolarHBondContact O-CB 3.48Å; C420-T423 PolarHBondContact O-N 2.82Å; C420-T423 VanDerWaalsContact O-N 3.09Å; C420-L424 WeakPolarHBondContact O-CG 3.45Å; C420-L424 PolarHBondContact O-N 2.92Å; C420-L435 HydrophobicContact CB-CD1 3.88Å; C420-L435 HydrophobicContact CB-CD2 4.39Å
421	A	98.9	Very high	98.5	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-66.1	-37.8	177.9	0	0	0	0	0	113.4	V186 V188 A258 A261 A417 G418 I419 T423 S425	V186-A421 HydrophobicContact CB-CB 4.31Å; V186-A421 HydrophobicContact CG1-CB 3.89Å; V188-A421 HydrophobicContact CG2-CB 3.86Å; A258-A421 HydrophobicContact CB-CB 3.79Å; A261-A421 HydrophobicContact CB-CB 4.44Å; A417-A421 PolarHBondContact O-N 2.78Å; G418-A421 PolarHBondContact O-N 3.09Å; I419-A421 VanDerWaalsContact C-N 3.33Å; I419-A421 PolarHBondContact O-N 3.29Å; A421-T423 VanDerWaalsContact C-N 3.26Å; A421-T423 PolarHBondContact O-N 2.81Å; A421-S425 VanDerWaalsContact O-CB 3.23Å; A421-S425 WeakPolarHBondContact O-CB 3.24Å; A421-S425 PolarHBondContact O-N 2.9Å
422	L	98.7	Very high	98.5	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-58.7	-39.1	169.1	-72.4	-175.9	0	0	0	112.3	V173 V176 A182 I257 A258 G418 I419 A426 A473	V173-L422 HydrophobicContact CB-CD1 4.38Å; V173-L422 HydrophobicContact CG1-CD1 4.19Å; V176-L422 HydrophobicContact CB-CD1 4.34Å; V176-L422 HydrophobicContact CG1-CB 4.17Å; V176-L422 HydrophobicContact CG1-CD1 4.01Å; V176-L422 HydrophobicContact CG1-CD2 4.15Å; V176-L422 HydrophobicContact CG1-CG 4.35Å; A182-L422 VanDerWaalsContact CA-CD2 3.45Å; I257-L422 HydrophobicContact CG2-CD1 3.5Å; I257-L422 HydrophobicContact CG2-CG 3.96Å; I257-L422 WeakPolarHBondContact O-CD2 3.37Å; A258-L422 HydrophobicContact CB-CD2 4.44Å; G418-L422 WeakPolarHBondContact O-CG 3.47Å; G418-L422 PolarHBondContact O-N 2.79Å; I419-L422 PolarHBondContact O-N 3.36Å; L422-A426 PolarHBondContact O-N 3.23Å; L422-A473 HydrophobicContact CD1-CB 4.15Å
423	T	98.7	Very high	98.5	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-74.2	-43	-177.1	-53.1	0	0	0	0	111.8	I419 C420 A421 S425 A426 N427 L430 L438 M476 A480	I419-T423 WeakPolarHBondContact O-CB 3.45Å; I419-T423 PolarHBondContact O-N 2.68Å; I419-T423 PolarHBondContact O-OG1 3.5Å; C420-T423 WeakPolarHBondContact O-CB 3.48Å; C420-T423 PolarHBondContact O-N 2.82Å; C420-T423 VanDerWaalsContact O-N 3.09Å; A421-T423 VanDerWaalsContact C-N 3.26Å; A421-T423 PolarHBondContact O-N 2.81Å; T423-S425 VanDerWaalsContact C-N 3.34Å; T423-A426 WeakPolarHBondContact O-CB 3.04Å; T423-A426 PolarHBondContact O-N 3.19Å; T423-A426 VanDerWaalsContact O-N 3.15Å; T423-N427 PolarHBondContact O-N 3.48Å; T423-L430 HydrophobicContact CG2-CD1 3.85Å; T423-L438 HydrophobicContact CG2-CD1 3.62Å; T423-M476 HydrophobicContact CG2-CB 4.29Å; T423-M476 HydrophobicContact CG2-CE 4.38Å; T423-A480 HydrophobicContact CG2-CB 3.81Å
424	L	98.7	Very high	98.5	Very high	2 Å²	2	14.4 Å²	14.4	1%	0.01	8%	0.084	C	C	.	.	H	α-helix	trans	-66.4	-33.8	173.2	-67.8	-174.6	0	0	0	112.6	V186 D290 V291 I330 C420 A426 N427 P428 L430 L435	V186-L424 HydrophobicContact CG1-CB 4.29Å; V186-L424 HydrophobicContact CG1-CD1 4.24Å; V186-L424 HydrophobicContact CG2-CB 3.83Å; D290-L424 HydrophobicContact CB-CD1 3.81Å; V291-L424 HydrophobicContact CG2-CD1 3.87Å; I330-L424 HydrophobicContact CG1-CD1 4.02Å; C420-L424 WeakPolarHBondContact O-CG 3.45Å; C420-L424 PolarHBondContact O-N 2.92Å; L424-A426 PolarHBondContact O-N 3.18Å; L424-N427 CarbonylContact O-C 3.59Å; L424-N427 PolarHBondContact O-N 2.88Å; L424-P428 VanDerWaalsContact O-CA 3.3Å; L424-P428 WeakPolarHBondContact O-CA 3.34Å; L424-L430 HydrophobicContact CD2-CB 4Å; L424-L430 HydrophobicContact CD2-CD1 4.27Å; L424-L435 HydrophobicContact CD2-CD1 4.17Å; L424-L435 HydrophobicContact CG-CD1 4.22Å
425	S	98	Very high	98.5	Very high	24 Å²	24	14.5 Å²	14.5	17%	0.168	8%	0.084	C	C	.	.	H	α-helix	trans	-66	-24	173.5	-167.2	0	0	0	0	112.4	Q184 A421 T423	Q184-S425 PolarHBondContact N-OG 3.46Å; Q184-S425 VanDerWaalsContact N-OG 3.09Å; Q184-S425 PolarHBondContact O-OG 3.02Å; A421-S425 VanDerWaalsContact O-CB 3.23Å; A421-S425 WeakPolarHBondContact O-CB 3.24Å; A421-S425 PolarHBondContact O-N 2.9Å; T423-S425 VanDerWaalsContact C-N 3.34Å
426	A	97.7	Very high	98.5	Very high	14 Å²	14	14.8 Å²	14.8	12%	0.116	9%	0.085	C	C	.	.	H	α-helix	trans	-85.8	-37	173.2	0	0	0	0	0	113.6	Y181 L422 T423 L424 V477 L481	Y181-A426 HydrophobicContact CD1-CB 3.88Å; Y181-A426 HydrophobicContact CE1-CB 3.91Å; Y181-A426 HydrophobicContact CG-CB 4.2Å; L422-A426 PolarHBondContact O-N 3.23Å; T423-A426 WeakPolarHBondContact O-CB 3.04Å; T423-A426 PolarHBondContact O-N 3.19Å; T423-A426 VanDerWaalsContact O-N 3.15Å; L424-A426 PolarHBondContact O-N 3.18Å; A426-V477 HydrophobicContact CB-CB 4.41Å; A426-V477 HydrophobicContact CB-CG1 3.73Å; A426-V477 HydrophobicContact CB-CG2 4.11Å; A426-L481 HydrophobicContact CB-CD2 4.11Å; A426-L481 HydrophobicContact CB-CG 4.3Å
427	N	97.8	Very high	98.4	Very high	22 Å²	22	14.8 Å²	14.8	12%	0.118	9%	0.085	C	C	.	.			trans	-141.6	99	172.5	-176	-7.2	0	0	0	110.8	T423 L424 N429 L430 A480	T423-N427 PolarHBondContact O-N 3.48Å; L424-N427 CarbonylContact O-C 3.59Å; L424-N427 PolarHBondContact O-N 2.88Å; N427-N429 PolarHBondContact O-N 3.38Å; N427-N429 WeakPolarHBondContact OD1-CB 3.25Å; N427-N429 PolarHBondContact OD1-N 2.84Å; N427-N429 VanDerWaalsContact OD1-N 3.09Å; N427-L430 HydrophobicContact CB-CD1 4.06Å; N427-L430 HydrophobicContact CB-CD2 4.5Å; N427-L430 HydrophobicContact CB-CG 3.96Å; N427-L430 WeakPolarHBondContact O-CD1 3.28Å; N427-L430 WeakPolarHBondContact O-CG 3.39Å; N427-A480 HydrophobicContact CB-CB 4.23Å; N427-A480 WeakPolarHBondContact CB-O 3.44Å; N427-A480 PolarHBondContact ND2-O 2.95Å
428	P	97.8	Very high	98.4	Very high	76 Å²	76	14.8 Å²	14.8	49%	0.494	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-8	-176.7	30.3	-36.3	0	0	0	113.5	R324 L327 L424	R324-P428 PolarHBondContact NH2-O 2.89Å; L327-P428 VanDerWaalsContact CD1-O 3.26Å; L327-P428 WeakPolarHBondContact CD1-O 3.31Å; L424-P428 VanDerWaalsContact O-CA 3.3Å; L424-P428 WeakPolarHBondContact O-CA 3.34Å
429	N	97.9	Very high	98.4	Very high	102 Å²	102	14.8 Å²	14.8	55%	0.545	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-4.1	-178.7	-58.3	-40.1	0	0	0	113.3	L327 N427 T431 N485	L327-N429 WeakPolarHBondContact CD2-O 3.45Å; N427-N429 PolarHBondContact O-N 3.38Å; N427-N429 WeakPolarHBondContact OD1-CB 3.25Å; N427-N429 PolarHBondContact OD1-N 2.84Å; N427-N429 VanDerWaalsContact OD1-N 3.09Å; N429-T431 PolarHBondContact O-N 3.18Å; N429-N485 PolarHBondContact O-ND2 2.9Å
430	L	98.5	Very high	98.3	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.087	C	C	.	.			trans	-61.4	131.7	177.7	-63.8	169.1	0	0	0	110.8	R324 T423 L424 N427 D434 L438 A480 W483	R324-L430 PolarHBondContact NH1-O 3.16Å; R324-L430 PolarHBondContact NH2-O 2.99Å; T423-L430 HydrophobicContact CG2-CD1 3.85Å; L424-L430 HydrophobicContact CD2-CB 4Å; L424-L430 HydrophobicContact CD2-CD1 4.27Å; N427-L430 HydrophobicContact CB-CD1 4.06Å; N427-L430 HydrophobicContact CB-CD2 4.5Å; N427-L430 HydrophobicContact CB-CG 3.96Å; N427-L430 WeakPolarHBondContact O-CD1 3.28Å; N427-L430 WeakPolarHBondContact O-CG 3.39Å; L430-D434 HydrophobicContact CB-CB 4.11Å; L430-D434 HydrophobicContact CD2-CB 3.83Å; L430-L438 HydrophobicContact CD1-CD1 3.57Å; L430-L438 HydrophobicContact CD2-CD1 3.94Å; L430-L438 HydrophobicContact CG-CD1 4.41Å; L430-A480 HydrophobicContact CD1-CB 4.07Å; L430-W483 HydrophobicContact CD2-CB 4.16Å; L430-W483 HydrophobicContact CD2-CG 4.04Å
431	T	98.7	Very high	98.2	Very high	27 Å²	27	16.4 Å²	16.4	17%	0.166	9%	0.092	C	C	.	.			trans	-76.1	168.8	168	67.5	0	0	0	0	111.9	L327 N429 R433 D434 L435	L327-T431 HydrophobicContact CD2-CG2 4.11Å; L327-T431 CarbonylContact O-C 3.52Å; L327-T431 WeakPolarHBondContact O-CA 3.28Å; L327-T431 VanDerWaalsContact O-CB 3.28Å; L327-T431 WeakPolarHBondContact O-CB 3.26Å; N429-T431 PolarHBondContact O-N 3.18Å; T431-R433 VanDerWaalsContact C-N 3.27Å; T431-R433 PolarHBondContact O-N 3.14Å; T431-D434 VanDerWaalsContact CB-OD2 3.28Å; T431-D434 WeakPolarHBondContact CB-OD2 3.43Å; T431-D434 WeakPolarHBondContact CG2-OD2 3.22Å; T431-D434 PolarHBondContact N-OD2 2.95Å; T431-D434 PolarHBondContact O-N 2.8Å; T431-D434 PolarHBondContact OG1-N 3.05Å; T431-D434 VanDerWaalsContact OG1-N 3.13Å; T431-D434 PolarHBondContact OG1-OD2 3.39Å; T431-L435 PolarHBondContact O-N 2.84Å; T431-L435 VanDerWaalsContact O-N 3.12Å
432	W	98.7	Very high	98	Very high	21 Å²	21	17.1 Å²	17.1	8%	0.08	10%	0.097	C	C	.	.	H	α-helix	trans	-55.6	-40.3	172.5	71.4	-86.5	0	0	0	113	I320 L327 I330 I354 Y355 Q436	I320-W432 HydrophobicContact CB-CD2 4.13Å; I320-W432 HydrophobicContact CB-CG 4.14Å; I320-W432 HydrophobicContact CB-CZ2 4.44Å; I320-W432 HydrophobicContact CD1-CZ2 3.98Å; I320-W432 HydrophobicContact CG2-CD2 4.05Å; I320-W432 HydrophobicContact CG2-CE3 4.49Å; I320-W432 HydrophobicContact CG2-CG 4.14Å; I320-W432 PolarHBondContact O-NE1 3.12Å; L327-W432 PolarHBondContact O-N 3.46Å; I330-W432 HydrophobicContact CD1-CB 4.05Å; I354-W432 WeakPolarHBondContact O-CZ3 3.24Å; Y355-W432 HydrophobicContact CD1-CH2 4.1Å; Y355-W432 HydrophobicContact CD1-CZ2 4.42Å; W432-Q436 PolarHBondContact O-N 2.83Å
433	R	98.4	Very high	97.9	Very high	14 Å²	14	17.9 Å²	17.9	5%	0.053	10%	0.103	C	C	.	.	H	α-helix	trans	-67.4	-43.5	173.7	-82.2	162.1	64.7	-119.9	4.3	112.3	T431 L435 Q436 Y437 V486 P487 E538	T431-R433 VanDerWaalsContact C-N 3.27Å; T431-R433 PolarHBondContact O-N 3.14Å; R433-L435 PolarHBondContact O-N 3.46Å; R433-Q436 PolarHBondContact O-N 3.46Å; R433-Q436 VanDerWaalsContact O-N 3.12Å; R433-Y437 WeakPolarHBondContact O-CD2 3.22Å; R433-Y437 PolarHBondContact O-N 3.27Å; R433-V486 HydrophobicContact CB-CG2 4.09Å; R433-P487 VanDerWaalsContact CZ-O 3.32Å; R433-P487 PolarHBondContact NH1-O 3.4Å; R433-P487 PolarHBondContact NH2-O 3.18Å; R433-E538 IonicContact CZ-OE1 2.68Å; R433-E538 VanDerWaalsContact CZ-OE1 3.27Å; R433-E538 IonicContact CZ-OE2 3.37Å; R433-E538 VanDerWaalsContact NE-CD 3.34Å; R433-E538 IonicContact NE-OE1 3.7Å; R433-E538 PolarHBondContact NE-OE1 2.89Å; R433-E538 VanDerWaalsContact NE-OE1 3.11Å; R433-E538 IonicContact NE-OE2 3.52Å; R433-E538 PolarHBondContact NE-OE2 2.81Å; R433-E538 IonicContact NH2-OE1 3.56Å; R433-E538 PolarHBondContact NH2-OE1 2.99Å; R433-E538 IonicContact NH2-OE2 2.77Å
434	D	98.5	Very high	97.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-56.1	-41.2	177.7	-66.9	-56.4	0	0	0	111.4	L430 T431 Y437 L438 W483 N485 V486	L430-D434 HydrophobicContact CB-CB 4.11Å; L430-D434 HydrophobicContact CD2-CB 3.83Å; T431-D434 VanDerWaalsContact CB-OD2 3.28Å; T431-D434 WeakPolarHBondContact CB-OD2 3.43Å; T431-D434 WeakPolarHBondContact CG2-OD2 3.22Å; T431-D434 PolarHBondContact N-OD2 2.95Å; T431-D434 PolarHBondContact O-N 2.8Å; T431-D434 PolarHBondContact OG1-N 3.05Å; T431-D434 VanDerWaalsContact OG1-N 3.13Å; T431-D434 PolarHBondContact OG1-OD2 3.39Å; D434-Y437 WeakPolarHBondContact O-CB 3.47Å; D434-Y437 PolarHBondContact O-N 2.96Å; D434-L438 VanDerWaalsContact O-CG 3.31Å; D434-L438 WeakPolarHBondContact O-CG 3.38Å; D434-L438 PolarHBondContact O-N 3.04Å; D434-W483 PolarHBondContact OD1-NE1 3.37Å; D434-N485 VanDerWaalsContact OD1-CA 3.27Å; D434-N485 WeakPolarHBondContact OD1-CA 3.27Å; D434-N485 WeakPolarHBondContact OD2-CB 3.49Å; D434-N485 VanDerWaalsContact OD2-CG 3.3Å; D434-N485 PolarHBondContact OD2-ND2 3.44Å; D434-V486 WeakPolarHBondContact OD1-CG2 3.5Å; D434-V486 PolarHBondContact OD1-N 3.15Å
435	L	98.3	Very high	97.5	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-64.2	-43.7	177.7	-145	170.2	0	0	0	111.6	I330 L357 C420 L424 T431 R433 Y437 L438 V439 M476	I330-L435 HydrophobicContact CB-CD1 4.46Å; I330-L435 HydrophobicContact CD1-CB 4.24Å; I330-L435 HydrophobicContact CD1-CD1 3.68Å; I330-L435 HydrophobicContact CG1-CD1 3.72Å; I330-L435 HydrophobicContact CG2-CD1 3.93Å; L357-L435 HydrophobicContact CD1-CD2 4.11Å; C420-L435 HydrophobicContact CB-CD1 3.88Å; C420-L435 HydrophobicContact CB-CD2 4.39Å; L424-L435 HydrophobicContact CD2-CD1 4.17Å; L424-L435 HydrophobicContact CG-CD1 4.22Å; T431-L435 PolarHBondContact O-N 2.84Å; T431-L435 VanDerWaalsContact O-N 3.12Å; R433-L435 PolarHBondContact O-N 3.46Å; L435-Y437 PolarHBondContact O-N 3.27Å; L435-L438 WeakPolarHBondContact O-CB 3.44Å; L435-L438 PolarHBondContact O-N 2.92Å; L435-V439 HydrophobicContact CD2-CG2 4.19Å; L435-V439 PolarHBondContact O-N 3.22Å; L435-M476 HydrophobicContact CD2-CE 3.67Å
436	Q	98.6	Very high	97.2	Very high	7 Å²	7	24 Å²	24	3%	0.033	13%	0.131	C	C	.	.	H	α-helix	trans	-60.8	-43.1	173.6	-66.8	-177.6	-3.4	0	0	111.8	I354 T356 L379 W432 R433 L438 V439 V440 H539 W592	I354-Q436 PolarHBondContact O-NE2 3.4Å; I354-Q436 VanDerWaalsContact O-NE2 3.12Å; T356-Q436 PolarHBondContact O-NE2 2.96Å; L379-Q436 HydrophobicContact CD2-CB 3.91Å; L379-Q436 HydrophobicContact CD2-CG 3.97Å; W432-Q436 PolarHBondContact O-N 2.83Å; R433-Q436 PolarHBondContact O-N 3.46Å; R433-Q436 VanDerWaalsContact O-N 3.12Å; Q436-L438 PolarHBondContact O-N 3.14Å; Q436-V439 PolarHBondContact O-N 3.36Å; Q436-V440 WeakPolarHBondContact O-CG2 3.48Å; Q436-V440 PolarHBondContact O-N 2.75Å; Q436-H539 PolarHBondContact OE1-CE1 3.15Å; Q436-H539 VanDerWaalsContact OE1-CE1 3.28Å; Q436-H539 PolarHBondContact OE1-NE2 3.23Å; Q436-W592 HydrophobicContact CB-CH2 3.74Å; Q436-W592 HydrophobicContact CB-CZ2 4.2Å
437	Y	98.1	Very high	96.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-58	-44.5	172.5	-91.2	-84.9	0	0	0	112.6	R433 D434 L435 V439 V440 Y441 W483 V486 E538 W592 P627	R433-Y437 WeakPolarHBondContact O-CD2 3.22Å; R433-Y437 PolarHBondContact O-N 3.27Å; D434-Y437 WeakPolarHBondContact O-CB 3.47Å; D434-Y437 PolarHBondContact O-N 2.96Å; L435-Y437 PolarHBondContact O-N 3.27Å; Y437-V439 VanDerWaalsContact C-N 3.31Å; Y437-V439 PolarHBondContact O-N 3.49Å; Y437-V440 PolarHBondContact O-N 3.31Å; Y437-Y441 HydrophobicContact CD1-CE1 4.01Å; Y437-Y441 HydrophobicContact CD1-CE2 4.09Å; Y437-Y441 AromaticContact CD1-CZ 3.68Å; Y437-Y441 VanDerWaalsContact O-CB 3.27Å; Y437-Y441 WeakPolarHBondContact O-CB 3.14Å; Y437-Y441 VanDerWaalsContact O-CG 3.24Å; Y437-Y441 PolarHBondContact O-N 3.07Å; Y437-W483 HydrophobicContact CD1-CH2 4.49Å; Y437-W483 HydrophobicContact CG-CZ2 4.22Å; Y437-V486 HydrophobicContact CD1-CG1 4.48Å; Y437-V486 HydrophobicContact CD2-CB 4.49Å; Y437-V486 HydrophobicContact CD2-CG1 3.65Å; Y437-V486 HydrophobicContact CD2-CG2 4.31Å; Y437-V486 HydrophobicContact CE1-CG1 4.5Å; Y437-V486 HydrophobicContact CE2-CB 4.22Å; Y437-V486 HydrophobicContact CE2-CG1 3.68Å; Y437-V486 HydrophobicContact CE2-CG2 4.16Å; Y437-V486 HydrophobicContact CG-CG1 4.07Å; Y437-E538 HydrophobicContact CE2-CG 3.71Å; Y437-E538 WeakPolarHBondContact CE2-OE1 3.47Å; Y437-E538 WeakPolarHBondContact OH-CG 3.34Å; Y437-E538 PolarHBondContact OH-OE1 3.05Å; Y437-W592 HydrophobicContact CD1-CZ2 4.39Å; Y437-W592 AromaticContact CD1-NE1 3.23Å; Y437-W592 AromaticContact CD2-CZ2 3.69Å; Y437-W592 HydrophobicContact CD2-CZ2 3.69Å; Y437-W592 AromaticContact CE1-CD1 3.96Å; Y437-W592 HydrophobicContact CE1-CZ2 4.49Å; Y437-W592 AromaticContact CE1-NE1 3.12Å; Y437-W592 AromaticContact CE2-CZ2 3.82Å; Y437-W592 HydrophobicContact CE2-CZ2 3.82Å; Y437-W592 AromaticContact CE2-NE1 3.98Å; Y437-W592 HydrophobicContact CG-CZ2 4Å; Y437-W592 AromaticContact CG-NE1 3.73Å; Y437-W592 AromaticContact CZ-NE1 3.54Å; Y437-P627 HydrophobicContact CD1-CB 4.41Å; Y437-P627 HydrophobicContact CE1-CB 3.62Å; Y437-P627 HydrophobicContact CE1-CG 3.85Å
438	L	98	Very high	96.6	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.4	-42.2	176.7	-69.7	177.5	0	0	0	111.3	T423 L430 D434 L435 Q436 Y441 T442 L479 A480 W483	T423-L438 HydrophobicContact CG2-CD1 3.62Å; L430-L438 HydrophobicContact CD1-CD1 3.57Å; L430-L438 HydrophobicContact CD2-CD1 3.94Å; L430-L438 HydrophobicContact CG-CD1 4.41Å; D434-L438 VanDerWaalsContact O-CG 3.31Å; D434-L438 WeakPolarHBondContact O-CG 3.38Å; D434-L438 PolarHBondContact O-N 3.04Å; L435-L438 WeakPolarHBondContact O-CB 3.44Å; L435-L438 PolarHBondContact O-N 2.92Å; Q436-L438 PolarHBondContact O-N 3.14Å; L438-Y441 PolarHBondContact O-N 3.14Å; L438-T442 WeakPolarHBondContact O-CB 3.47Å; L438-T442 VanDerWaalsContact O-CG2 3.31Å; L438-T442 WeakPolarHBondContact O-CG2 3.28Å; L438-T442 PolarHBondContact O-N 3.12Å; L438-T442 VanDerWaalsContact O-N 3.15Å; L438-T442 PolarHBondContact O-OG1 3.13Å; L438-L479 HydrophobicContact CD2-CB 3.85Å; L438-L479 HydrophobicContact CD2-CD2 3.59Å; L438-L479 HydrophobicContact CD2-CG 3.46Å; L438-L479 VanDerWaalsContact CD2-CG 3.46Å; L438-A480 HydrophobicContact CD1-CB 3.83Å; L438-W483 HydrophobicContact CD2-CD2 3.91Å; L438-W483 HydrophobicContact CD2-CE3 3.85Å; L438-W483 HydrophobicContact CD2-CG 4.22Å; L438-W483 HydrophobicContact CD2-CZ3 4.4Å
439	V	98.3	Very high	96.4	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.006	14%	0.141	C	C	.	.	H	α-helix	trans	-61	-54.6	175.4	173	0	0	0	0	111.1	L357 L379 A380 L435 Q436 Y437 Y441 T442 A443 M471 M476	L357-V439 HydrophobicContact CD1-CG2 4.25Å; L379-V439 HydrophobicContact CD2-CB 3.99Å; L379-V439 HydrophobicContact CD2-CG1 3.89Å; L379-V439 HydrophobicContact CG-CG1 4.05Å; A380-V439 HydrophobicContact CB-CG1 3.39Å; L435-V439 HydrophobicContact CD2-CG2 4.19Å; L435-V439 PolarHBondContact O-N 3.22Å; Q436-V439 PolarHBondContact O-N 3.36Å; Y437-V439 VanDerWaalsContact C-N 3.31Å; Y437-V439 PolarHBondContact O-N 3.49Å; V439-Y441 PolarHBondContact O-N 3.01Å; V439-Y441 VanDerWaalsContact O-N 3.11Å; V439-T442 PolarHBondContact O-N 3.18Å; V439-T442 VanDerWaalsContact O-N 3.1Å; V439-A443 VanDerWaalsContact O-CB 3.3Å; V439-A443 WeakPolarHBondContact O-CB 3.16Å; V439-A443 PolarHBondContact O-N 3.36Å; V439-M471 HydrophobicContact CG2-CE 4.04Å; V439-M476 HydrophobicContact CG2-CE 3.52Å; V439-M476 HydrophobicContact CG2-SD 4.05Å
440	V	97.8	Very high	96.3	Very high	6 Å²	6	23.9 Å²	23.9	4%	0.036	12%	0.123	C	C	.	.	H	α-helix	trans	-57	-30.4	179.5	176.9	0	0	0	0	112.4	L379 Q436 Y437 Y468 W592	L379-V440 HydrophobicContact CD1-CG2 3.55Å; L379-V440 HydrophobicContact CG-CG2 4.14Å; Q436-V440 WeakPolarHBondContact O-CG2 3.48Å; Q436-V440 PolarHBondContact O-N 2.75Å; Y437-V440 PolarHBondContact O-N 3.31Å; V440-Y468 HydrophobicContact CB-CD2 4.13Å; V440-Y468 HydrophobicContact CB-CE2 4.31Å; V440-Y468 HydrophobicContact CG1-CD1 4.25Å; V440-Y468 HydrophobicContact CG1-CD2 3.85Å; V440-Y468 HydrophobicContact CG1-CE1 4.13Å; V440-Y468 HydrophobicContact CG1-CE2 3.68Å; V440-Y468 HydrophobicContact CG1-CG 4.12Å; V440-Y468 HydrophobicContact CG2-CD2 3.74Å; V440-Y468 HydrophobicContact CG2-CE2 3.82Å; V440-W592 HydrophobicContact CB-CG 4.44Å; V440-W592 HydrophobicContact CG1-CB 4Å; V440-W592 HydrophobicContact CG1-CG 3.88Å; V440-W592 HydrophobicContact CG2-CD2 3.9Å; V440-W592 HydrophobicContact CG2-CE3 4.19Å; V440-W592 HydrophobicContact CG2-CG 4.1Å
441	Y	95.9	Very high	96.2	Very high	27 Å²	27	32.7 Å²	32.7	11%	0.106	17%	0.17	C	C	.	.	H	α-helix	trans	-91.3	-8	-176.4	-71.4	7	0	0	0	114.2	Y437 L438 V439 R460 L479 W483 V630	Y437-Y441 HydrophobicContact CD1-CE1 4.01Å; Y437-Y441 HydrophobicContact CD1-CE2 4.09Å; Y437-Y441 AromaticContact CD1-CZ 3.68Å; Y437-Y441 VanDerWaalsContact O-CB 3.27Å; Y437-Y441 WeakPolarHBondContact O-CB 3.14Å; Y437-Y441 VanDerWaalsContact O-CG 3.24Å; Y437-Y441 PolarHBondContact O-N 3.07Å; L438-Y441 PolarHBondContact O-N 3.14Å; V439-Y441 PolarHBondContact O-N 3.01Å; V439-Y441 VanDerWaalsContact O-N 3.11Å; Y441-R460 VanDerWaalsContact CE1-CZ 3.43Å; Y441-L479 HydrophobicContact CD2-CD2 4.38Å; Y441-W483 AromaticContact CD2-CH2 3.71Å; Y441-W483 HydrophobicContact CD2-CH2 3.71Å; Y441-W483 AromaticContact CD2-CZ3 3.83Å; Y441-W483 HydrophobicContact CD2-CZ3 3.83Å; Y441-W483 AromaticContact CE2-CH2 3.63Å; Y441-W483 HydrophobicContact CE2-CH2 3.63Å; Y441-W483 HydrophobicContact CE2-CZ3 4.06Å; Y441-V630 HydrophobicContact CD2-CG2 3.12Å; Y441-V630 HydrophobicContact CE2-CG2 3.37Å; Y441-V630 HydrophobicContact CG-CG2 3.86Å
442	T	95.9	Very high	96.1	Very high	16 Å²	16	33.6 Å²	33.6	10%	0.098	17%	0.174	C	C	.	.	H	α-helix	trans	-135.3	-14.1	-172.5	65.2	0	0	0	0	115.6	L438 V439 A475 M476 L479	L438-T442 WeakPolarHBondContact O-CB 3.47Å; L438-T442 VanDerWaalsContact O-CG2 3.31Å; L438-T442 WeakPolarHBondContact O-CG2 3.28Å; L438-T442 PolarHBondContact O-N 3.12Å; L438-T442 VanDerWaalsContact O-N 3.15Å; L438-T442 PolarHBondContact O-OG1 3.13Å; V439-T442 PolarHBondContact O-N 3.18Å; V439-T442 VanDerWaalsContact O-N 3.1Å; T442-A475 HydrophobicContact CG2-CB 4.03Å; T442-A475 WeakPolarHBondContact CG2-O 3.21Å; T442-M476 WeakPolarHBondContact OG1-CG 3.36Å; T442-L479 HydrophobicContact CG2-CB 4.21Å; T442-L479 HydrophobicContact CG2-CD2 3.75Å
443	A	96.2	Very high	96	Very high	16 Å²	16	34.9 Å²	34.9	13%	0.132	18%	0.179	C	C	.	.			trans	-56.3	144.1	171.6	0	0	0	0	0	111.5	A380 V439 L470	A380-A443 HydrophobicContact CB-CB 4.47Å; V439-A443 VanDerWaalsContact O-CB 3.3Å; V439-A443 WeakPolarHBondContact O-CB 3.16Å; V439-A443 PolarHBondContact O-N 3.36Å; A443-L470 WeakPolarHBondContact CA-O 3.23Å
444	R	94.3	Very high	96	Very high	54 Å²	54	36.3 Å²	36.3	20%	0.204	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-111.8	116.6	-172.1	-60.1	-177.5	-52.9	-171.4	11.5	110.8	D170 D446 L448 L470 D472	D170-R444 PolarHBondContact O-NH2 3.33Å; R444-D446 VanDerWaalsContact C-N 3.26Å; R444-D446 PolarHBondContact O-N 3.34Å; R444-L448 VanDerWaalsContact O-CD1 3.3Å; R444-L448 WeakPolarHBondContact O-CD1 3.03Å; R444-L470 PolarHBondContact N-O 3.41Å; R444-L470 PolarHBondContact O-N 2.97Å; R444-D472 VanDerWaalsContact CD-OD2 3.3Å; R444-D472 WeakPolarHBondContact CD-OD2 3.46Å; R444-D472 HydrophobicContact CG-CB 4.06Å; R444-D472 IonicContact CZ-OD2 3.92Å; R444-D472 VanDerWaalsContact CZ-OD2 3.27Å; R444-D472 IonicContact NE-OD2 2.67Å; R444-D472 PolarHBondContact NE-OD2 3.49Å; R444-D472 IonicContact NH1-OD2 2.63Å; R444-D472 PolarHBondContact NH1-OD2 3.4Å
445	P	94.7	Very high	96	Very high	23 Å²	23	40.7 Å²	40.7	15%	0.149	21%	0.212	C	C	.	.			trans	-87.6	7.2	176.5	38.9	-39.5	0	0	0	112.7	W453 R461	P445-W453 HydrophobicContact CB-CE3 4.3Å; P445-W453 HydrophobicContact CB-CH2 3.42Å; P445-W453 VanDerWaalsContact CB-CH2 3.42Å; P445-W453 HydrophobicContact CB-CZ2 3.84Å; P445-W453 HydrophobicContact CB-CZ3 3.66Å; P445-R461 HydrophobicContact CB-CB 4.02Å; P445-R461 HydrophobicContact CG-CB 4Å; P445-R461 VanDerWaalsContact O-CZ 3.25Å; P445-R461 PolarHBondContact O-NH1 2.94Å; P445-R461 PolarHBondContact O-NH2 3.27Å
446	D	90.7	Very high	96	Very high	78 Å²	78	41 Å²	41	42%	0.417	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	132.4	-176.1	-63.7	-38.7	0	0	0	111.1	R444 L448 R461	R444-D446 VanDerWaalsContact C-N 3.26Å; R444-D446 PolarHBondContact O-N 3.34Å; D446-L448 VanDerWaalsContact C-N 3.32Å; D446-R461 IonicContact OD1-NH1 2.76Å; D446-R461 PolarHBondContact OD1-NH1 3.25Å
447	G	88.6	Confident	95.9	Very high	27 Å²	27	42.5 Å²	42.5	28%	0.278	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	7	-172.4	0	0	0	0	0	114.7
448	L	94.5	Very high	95.7	Very high	8 Å²	8	45.6 Å²	45.6	4%	0.042	25%	0.25	C	S	.	.			trans	-108.5	126.5	179.1	-50.5	-174.3	0	0	0	111.1	V362 G366 V381 R444 D446 W453 F466 L470	V362-L448 HydrophobicContact CB-CD2 4.48Å; V362-L448 HydrophobicContact CG1-CD2 4.28Å; V362-L448 HydrophobicContact CG2-CD2 3.95Å; G366-L448 CarbonylContact O-C 3.6Å; G366-L448 WeakPolarHBondContact O-CA 3.38Å; V381-L448 HydrophobicContact CG2-CD1 4.4Å; R444-L448 VanDerWaalsContact O-CD1 3.3Å; R444-L448 WeakPolarHBondContact O-CD1 3.03Å; D446-L448 VanDerWaalsContact C-N 3.32Å; L448-W453 HydrophobicContact CB-CZ2 3.92Å; L448-W453 HydrophobicContact CD1-CH2 4.45Å; L448-W453 HydrophobicContact CD1-CZ2 4Å; L448-W453 PolarHBondContact O-NE1 2.82Å; L448-W453 VanDerWaalsContact O-NE1 3.15Å; L448-F466 HydrophobicContact CB-CD2 3.87Å; L448-F466 HydrophobicContact CB-CE2 3.75Å; L448-F466 HydrophobicContact CB-CZ 4.35Å; L448-F466 HydrophobicContact CD1-CB 4.36Å; L448-F466 HydrophobicContact CD1-CD2 4.37Å; L448-F466 HydrophobicContact CD1-CG 4.28Å; L448-L470 HydrophobicContact CD1-CB 4.02Å; L448-L470 HydrophobicContact CD2-CB 4.15Å
449	Y	94.9	Very high	95.7	Very high	156 Å²	156	48.3 Å²	48.3	61%	0.612	28%	0.278	S	S	*	.	B	Isolated β-bridge	trans	-110.2	104.2	-172.3	-54.2	-77.4	0	0	0	111.4	H365 G366	H365-Y449 WeakPolarHBondContact O-CE2 3.43Å; G366-Y449 PolarHBondContact O-N 2.64Å
450	A	95.4	Very high	95.6	Very high	20 Å²	20	50.1 Å²	50.1	17%	0.165	29%	0.285	C	S	.	.			trans	-144.7	147.7	172.3	0	0	0	0	0	108.9	V368 D452 W453 A465 F466	V368-A450 HydrophobicContact CG2-CB 3.9Å; A450-D452 VanDerWaalsContact C-N 3.35Å; A450-W453 VanDerWaalsContact O-CD1 3.23Å; A450-A465 HydrophobicContact CB-CB 4.46Å; A450-F466 HydrophobicContact CB-CD2 3.72Å; A450-F466 HydrophobicContact CB-CE2 3.52Å; A450-F466 HydrophobicContact CB-CZ 4.49Å
451	D	95.6	Very high	95.6	Very high	184 Å²	184	53.6 Å²	53.6	98%	0.984	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-10.2	-174.4	-65.6	-40	0	0	0	113.8
452	D	96.6	Very high	95.7	Very high	46 Å²	46	52.3 Å²	52.3	25%	0.246	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	4.8	-172.1	83.7	-48.6	0	0	0	114.7	A450 H454 S463 H464	A450-D452 VanDerWaalsContact C-N 3.35Å; D452-H454 PolarHBondContact O-N 3.18Å; D452-H454 PolarHBondContact O-ND1 3.34Å; D452-S463 VanDerWaalsContact OD1-CB 3.32Å; D452-S463 WeakPolarHBondContact OD1-CB 3.02Å; D452-S463 PolarHBondContact OD1-OG 3.14Å; D452-S463 WeakPolarHBondContact OD2-CA 3.37Å; D452-S463 PolarHBondContact OD2-OG 3.23Å; D452-H464 IonicContact OD2-CE1 3.46Å; D452-H464 IonicContact OD2-CG 3.69Å; D452-H464 PolarHBondContact OD2-N 3.04Å; D452-H464 IonicContact OD2-ND1 3.57Å; D452-H464 PolarHBondContact OD2-ND1 3.37Å
453	W	97.9	Very high	95.8	Very high	49 Å²	49	51.5 Å²	51.5	19%	0.186	29%	0.288	C	S	.	.			trans	-54.8	110.6	177.6	-82.7	120.9	0	0	0	111.6	P445 L448 A450 R461 V462 F466	P445-W453 HydrophobicContact CB-CE3 4.3Å; P445-W453 HydrophobicContact CB-CH2 3.42Å; P445-W453 VanDerWaalsContact CB-CH2 3.42Å; P445-W453 HydrophobicContact CB-CZ2 3.84Å; P445-W453 HydrophobicContact CB-CZ3 3.66Å; L448-W453 HydrophobicContact CB-CZ2 3.92Å; L448-W453 HydrophobicContact CD1-CH2 4.45Å; L448-W453 HydrophobicContact CD1-CZ2 4Å; L448-W453 PolarHBondContact O-NE1 2.82Å; L448-W453 VanDerWaalsContact O-NE1 3.15Å; A450-W453 VanDerWaalsContact O-CD1 3.23Å; W453-R461 VanDerWaalsContact CD1-NH2 3.32Å; W453-R461 VanDerWaalsContact CD2-NH2 3.29Å; W453-R461 VanDerWaalsContact CE2-NH2 3.26Å; W453-R461 HydrophobicContact CE3-CB 3.92Å; W453-R461 HydrophobicContact CZ3-CB 4.09Å; W453-V462 VanDerWaalsContact CE3-C 3.47Å; W453-F466 AromaticContact CE2-CD2 3.94Å; W453-F466 HydrophobicContact CH2-CB 3.82Å; W453-F466 HydrophobicContact CH2-CD2 4.45Å; W453-F466 HydrophobicContact CZ2-CB 3.77Å; W453-F466 AromaticContact CZ2-CD2 3.56Å; W453-F466 HydrophobicContact CZ2-CD2 3.56Å; W453-F466 HydrophobicContact CZ2-CG 4.12Å
454	H	97.4	Very high	95.9	Very high	43 Å²	43	51.8 Å²	51.8	20%	0.199	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	169.7	174	54.7	-76.5	0	0	0	110.8	D452 R461 V462 H464 I565 H590	D452-H454 PolarHBondContact O-N 3.18Å; D452-H454 PolarHBondContact O-ND1 3.34Å; H454-R461 CarbonylContact O-C 3.59Å; H454-R461 VanDerWaalsContact O-CA 3.28Å; H454-R461 WeakPolarHBondContact O-CA 3.33Å; H454-V462 PolarHBondContact N-O 3.44Å; H454-V462 PolarHBondContact ND1-O 2.86Å; H454-V462 WeakPolarHBondContact NE2-CG1 3.31Å; H454-V462 PolarHBondContact O-N 3.44Å; H454-H464 AromaticContact CE1-CE1 3.61Å; H454-I565 PolarHBondContact NE2-O 2.91Å; H454-H590 AromaticContact CE1-CE1 3.64Å; H454-H590 AromaticContact CE1-ND1 3.36Å; H454-H590 PolarHBondContact CE1-ND1 3.42Å; H454-H590 AromaticContact NE2-CE1 3.89Å; H454-H590 AromaticContact NE2-ND1 3.14Å; H454-H590 PolarHBondContact NE2-ND1 2.77Å; H454-H590 VanDerWaalsContact NE2-ND1 3.14Å
455	V	98.2	Very high	96.1	Very high	92 Å²	92	49.4 Å²	49.4	56%	0.558	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.8	127.5	177.6	178.8	0	0	0	0	108.5	R460 R461	V455-R460 CarbonylContact C-O 3.59Å; V455-R460 VanDerWaalsContact CA-O 3.31Å; V455-R460 WeakPolarHBondContact CA-O 3.27Å; V455-R461 HydrophobicContact CG2-CG 4.1Å
456	N	97.8	Very high	96.3	Very high	7 Å²	7	48.3 Å²	48.3	4%	0.037	27%	0.271	C	S	.	.			trans	-81.9	174.9	-179.6	86.5	-15.3	0	0	0	112.5	V458 G459 R460 V462 Y468 T564 H590 E594	N456-V458 PolarHBondContact O-N 2.59Å; N456-V458 VanDerWaalsContact OD1-CG2 3.25Å; N456-V458 WeakPolarHBondContact OD1-CG2 3.26Å; N456-V458 PolarHBondContact OD1-N 3.39Å; N456-G459 PolarHBondContact O-N 2.83Å; N456-G459 PolarHBondContact OD1-N 2.89Å; N456-R460 PolarHBondContact N-O 3.09Å; N456-R460 PolarHBondContact OD1-N 3.5Å; N456-V462 HydrophobicContact CB-CG1 4.44Å; N456-Y468 PolarHBondContact ND2-OH 2.89Å; N456-T564 WeakPolarHBondContact CA-OG1 3.35Å; N456-T564 HydrophobicContact CB-CG2 3.92Å; N456-H590 WeakPolarHBondContact CB-O 3.26Å; N456-H590 PolarHBondContact ND2-O 2.79Å; N456-E594 WeakPolarHBondContact CB-OE1 3.34Å
457	G	96.8	Very high	96.7	Very high	40 Å²	40	44.6 Å²	44.6	41%	0.412	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-11.2	-173.6	0	0	0	0	0	115.4	T564 E594	G457-T564 PolarHBondContact N-OG1 2.69Å; G457-E594 PolarHBondContact N-OE1 3.03Å
458	V	95.5	Very high	97.1	Very high	64 Å²	64	43.5 Å²	43.5	39%	0.388	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	15	173.8	-66.4	0	0	0	0	113.4	N456 R460 W592 G593 E594	N456-V458 PolarHBondContact O-N 2.59Å; N456-V458 VanDerWaalsContact OD1-CG2 3.25Å; N456-V458 WeakPolarHBondContact OD1-CG2 3.26Å; N456-V458 PolarHBondContact OD1-N 3.39Å; V458-R460 VanDerWaalsContact CG2-NH1 3.33Å; V458-W592 WeakPolarHBondContact CG2-O 3.31Å; V458-G593 WeakPolarHBondContact CG1-O 3.42Å; V458-E594 HydrophobicContact CG1-CG 4.16Å; V458-E594 HydrophobicContact CG2-CG 4.49Å
459	G	96.1	Very high	97.3	Very high	57 Å²	57	43.1 Å²	43.1	59%	0.588	24%	0.236	S	C	*	.	S	Bend	trans	83.6	10.9	169.6	0	0	0	0	0	115.8	N456	N456-G459 PolarHBondContact O-N 2.83Å; N456-G459 PolarHBondContact OD1-N 2.89Å
460	R	96.3	Very high	97.4	Very high	39 Å²	39	35.8 Å²	35.8	15%	0.147	21%	0.208	C	C	.	.			trans	-86.3	141.8	174.4	-63.6	-171.8	-177.1	88.6	17.2	110.6	Y441 V455 N456 V458 Y468 W592	Y441-R460 VanDerWaalsContact CE1-CZ 3.43Å; V455-R460 CarbonylContact C-O 3.59Å; V455-R460 VanDerWaalsContact CA-O 3.31Å; V455-R460 WeakPolarHBondContact CA-O 3.27Å; N456-R460 PolarHBondContact N-O 3.09Å; N456-R460 PolarHBondContact OD1-N 3.5Å; V458-R460 VanDerWaalsContact CG2-NH1 3.33Å; R460-Y468 HydrophobicContact CB-CD1 4.04Å; R460-Y468 HydrophobicContact CB-CE1 3.73Å; R460-Y468 HydrophobicContact CG-CE1 4.44Å; R460-W592 PolarHBondContact NH1-O 3.1Å
461	R	97.9	Very high	97.5	Very high	79 Å²	79	34.9 Å²	34.9	30%	0.298	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	135.9	166.5	-76.7	175.7	62.6	-149.9	-7.9	109.3	P445 D446 W453 H454 V455 Y468	P445-R461 HydrophobicContact CB-CB 4.02Å; P445-R461 HydrophobicContact CG-CB 4Å; P445-R461 VanDerWaalsContact O-CZ 3.25Å; P445-R461 PolarHBondContact O-NH1 2.94Å; P445-R461 PolarHBondContact O-NH2 3.27Å; D446-R461 IonicContact OD1-NH1 2.76Å; D446-R461 PolarHBondContact OD1-NH1 3.25Å; W453-R461 VanDerWaalsContact CD1-NH2 3.32Å; W453-R461 VanDerWaalsContact CD2-NH2 3.29Å; W453-R461 VanDerWaalsContact CE2-NH2 3.26Å; W453-R461 HydrophobicContact CE3-CB 3.92Å; W453-R461 HydrophobicContact CZ3-CB 4.09Å; H454-R461 CarbonylContact O-C 3.59Å; H454-R461 VanDerWaalsContact O-CA 3.28Å; H454-R461 WeakPolarHBondContact O-CA 3.33Å; V455-R461 HydrophobicContact CG2-CG 4.1Å; R461-Y468 WeakPolarHBondContact O-CD1 3.4Å
462	V	98.4	Very high	97.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	152.3	176.3	69.5	0	0	0	0	110.5	W453 H454 N456 G467 Y468 H590	W453-V462 VanDerWaalsContact CE3-C 3.47Å; H454-V462 PolarHBondContact N-O 3.44Å; H454-V462 PolarHBondContact ND1-O 2.86Å; H454-V462 WeakPolarHBondContact NE2-CG1 3.31Å; H454-V462 PolarHBondContact O-N 3.44Å; N456-V462 HydrophobicContact CB-CG1 4.44Å; V462-G467 WeakPolarHBondContact CA-O 3.39Å; V462-G467 WeakPolarHBondContact CG2-O 3.39Å; V462-Y468 HydrophobicContact CB-CD1 4.18Å; V462-Y468 HydrophobicContact CB-CE1 3.93Å; V462-Y468 HydrophobicContact CG2-CD1 4.24Å; V462-Y468 HydrophobicContact CG2-CD2 4.49Å; V462-Y468 HydrophobicContact CG2-CE1 4.05Å; V462-Y468 HydrophobicContact CG2-CE2 4.33Å; V462-Y468 HydrophobicContact CG2-CG 4.46Å; V462-H590 HydrophobicContact CG1-CB 4.14Å; V462-H590 HydrophobicContact CG2-CB 4.37Å
463	S	98.6	Very high	97.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-146.5	144.3	-177.6	160.1	0	0	0	0	109	D452 A465 F466 G467	D452-S463 VanDerWaalsContact OD1-CB 3.32Å; D452-S463 WeakPolarHBondContact OD1-CB 3.02Å; D452-S463 PolarHBondContact OD1-OG 3.14Å; D452-S463 WeakPolarHBondContact OD2-CA 3.37Å; D452-S463 PolarHBondContact OD2-OG 3.23Å; S463-A465 PolarHBondContact O-N 2.77Å; S463-A465 PolarHBondContact OG-N 2.88Å; S463-A465 VanDerWaalsContact OG-N 3.09Å; S463-F466 PolarHBondContact O-N 2.83Å; S463-F466 PolarHBondContact OG-N 3.32Å; S463-G467 PolarHBondContact N-O 2.83Å; S463-G467 WeakPolarHBondContact O-CA 3.47Å; S463-G467 PolarHBondContact O-N 2.89Å
464	H	98.5	Very high	97.3	Very high	22 Å²	22	22.3 Å²	22.3	10%	0.102	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-16.5	175.6	-48.3	82.9	0	0	0	112.1	L374 C375 D452 H454 Q567 H590	L374-H464 WeakPolarHBondContact CA-O 3.35Å; L374-H464 HydrophobicContact CB-CB 4.31Å; C375-H464 PolarHBondContact N-O 2.67Å; D452-H464 IonicContact OD2-CE1 3.46Å; D452-H464 IonicContact OD2-CG 3.69Å; D452-H464 PolarHBondContact OD2-N 3.04Å; D452-H464 IonicContact OD2-ND1 3.57Å; D452-H464 PolarHBondContact OD2-ND1 3.37Å; H454-H464 AromaticContact CE1-CE1 3.61Å; H464-Q567 PolarHBondContact NE2-N 2.83Å; H464-H590 AromaticContact CD2-CE1 3.31Å; H464-H590 PolarHBondContact CD2-CE1 3.29Å; H464-H590 AromaticContact CD2-NE2 3.69Å; H464-H590 AromaticContact CE1-CE1 3.66Å; H464-H590 AromaticContact CG-CE1 3.66Å; H464-H590 AromaticContact ND1-CE1 3.86Å; H464-H590 AromaticContact NE2-CE1 3.3Å; H464-H590 PolarHBondContact NE2-CE1 2.96Å; H464-H590 VanDerWaalsContact NE2-CE1 3.3Å; H464-H590 AromaticContact NE2-ND1 3.82Å
465	A	98.1	Very high	97.1	Very high	3 Å²	3	21.7 Å²	21.7	3%	0.025	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-27.4	175.5	0	0	0	0	0	113.2	V368 L374 A450 S463	V368-A465 HydrophobicContact CG1-CB 4.17Å; V368-A465 HydrophobicContact CG2-CB 3.71Å; L374-A465 HydrophobicContact CD1-CB 4.38Å; L374-A465 HydrophobicContact CD2-CB 3.99Å; L374-A465 HydrophobicContact CG-CB 3.79Å; A450-A465 HydrophobicContact CB-CB 4.46Å; S463-A465 PolarHBondContact O-N 2.77Å; S463-A465 PolarHBondContact OG-N 2.88Å; S463-A465 VanDerWaalsContact OG-N 3.09Å
466	F	98.3	Very high	97.1	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125	-1	-171.9	-65	-42.3	0	0	0	115.3	V362 V368 V381 L448 A450 W453 S463 Y468 G469	V362-F466 HydrophobicContact CB-CD1 4.28Å; V362-F466 HydrophobicContact CB-CE1 3.69Å; V362-F466 HydrophobicContact CB-CZ 4.42Å; V362-F466 HydrophobicContact CG2-CE1 3.77Å; V362-F466 HydrophobicContact CG2-CZ 3.99Å; V368-F466 HydrophobicContact CB-CZ 4.38Å; V368-F466 HydrophobicContact CG2-CE1 3.96Å; V368-F466 HydrophobicContact CG2-CE2 3.93Å; V368-F466 HydrophobicContact CG2-CZ 3.53Å; V381-F466 HydrophobicContact CG1-CB 4.42Å; V381-F466 HydrophobicContact CG1-CD1 4.07Å; V381-F466 HydrophobicContact CG2-CB 4.24Å; V381-F466 HydrophobicContact CG2-CD1 3.87Å; V381-F466 HydrophobicContact CG2-CG 4.41Å; L448-F466 HydrophobicContact CB-CD2 3.87Å; L448-F466 HydrophobicContact CB-CE2 3.75Å; L448-F466 HydrophobicContact CB-CZ 4.35Å; L448-F466 HydrophobicContact CD1-CB 4.36Å; L448-F466 HydrophobicContact CD1-CD2 4.37Å; L448-F466 HydrophobicContact CD1-CG 4.28Å; A450-F466 HydrophobicContact CB-CD2 3.72Å; A450-F466 HydrophobicContact CB-CE2 3.52Å; A450-F466 HydrophobicContact CB-CZ 4.49Å; W453-F466 AromaticContact CE2-CD2 3.94Å; W453-F466 HydrophobicContact CH2-CB 3.82Å; W453-F466 HydrophobicContact CH2-CD2 4.45Å; W453-F466 HydrophobicContact CZ2-CB 3.77Å; W453-F466 AromaticContact CZ2-CD2 3.56Å; W453-F466 HydrophobicContact CZ2-CD2 3.56Å; W453-F466 HydrophobicContact CZ2-CG 4.12Å; S463-F466 PolarHBondContact O-N 2.83Å; S463-F466 PolarHBondContact OG-N 3.32Å; F466-Y468 PolarHBondContact O-N 3.14Å; F466-G469 VanDerWaalsContact O-CA 3.29Å; F466-G469 WeakPolarHBondContact O-CA 3.34Å; F466-G469 PolarHBondContact O-N 2.68Å
467	G	98.5	Very high	97	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	55.3	-131.9	-169.3	0	0	0	0	0	111	T378 V462 S463 G469	T378-G467 VanDerWaalsContact O-CA 3.22Å; T378-G467 WeakPolarHBondContact O-CA 3.4Å; V462-G467 WeakPolarHBondContact CA-O 3.39Å; V462-G467 WeakPolarHBondContact CG2-O 3.39Å; S463-G467 PolarHBondContact N-O 2.83Å; S463-G467 WeakPolarHBondContact O-CA 3.47Å; S463-G467 PolarHBondContact O-N 2.89Å; G467-G469 PolarHBondContact O-N 3.16Å
468	Y	98.4	Very high	97	Very high	5 Å²	5	18.4 Å²	18.4	2%	0.02	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-2	171.2	-72.7	-75.7	0	0	0	114.2	L379 V440 N456 R460 R461 V462 F466 V589 H590 W592	L379-Y468 PolarHBondContact O-N 3.03Å; V440-Y468 HydrophobicContact CB-CD2 4.13Å; V440-Y468 HydrophobicContact CB-CE2 4.31Å; V440-Y468 HydrophobicContact CG1-CD1 4.25Å; V440-Y468 HydrophobicContact CG1-CD2 3.85Å; V440-Y468 HydrophobicContact CG1-CE1 4.13Å; V440-Y468 HydrophobicContact CG1-CE2 3.68Å; V440-Y468 HydrophobicContact CG1-CG 4.12Å; V440-Y468 HydrophobicContact CG2-CD2 3.74Å; V440-Y468 HydrophobicContact CG2-CE2 3.82Å; N456-Y468 PolarHBondContact ND2-OH 2.89Å; R460-Y468 HydrophobicContact CB-CD1 4.04Å; R460-Y468 HydrophobicContact CB-CE1 3.73Å; R460-Y468 HydrophobicContact CG-CE1 4.44Å; R461-Y468 WeakPolarHBondContact O-CD1 3.4Å; V462-Y468 HydrophobicContact CB-CD1 4.18Å; V462-Y468 HydrophobicContact CB-CE1 3.93Å; V462-Y468 HydrophobicContact CG2-CD1 4.24Å; V462-Y468 HydrophobicContact CG2-CD2 4.49Å; V462-Y468 HydrophobicContact CG2-CE1 4.05Å; V462-Y468 HydrophobicContact CG2-CE2 4.33Å; V462-Y468 HydrophobicContact CG2-CG 4.46Å; F466-Y468 PolarHBondContact O-N 3.14Å; Y468-V589 HydrophobicContact CE2-CG2 4.29Å; Y468-V589 PolarHBondContact OH-O 3.47Å; Y468-H590 PolarHBondContact OH-O 2.89Å; Y468-H590 VanDerWaalsContact OH-O 3.06Å; Y468-W592 HydrophobicContact CE2-CB 4.28Å; Y468-W592 WeakPolarHBondContact OH-CB 3.44Å; Y468-W592 PolarHBondContact OH-N 2.9Å
469	G	97.9	Very high	97	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.097	C	C	.	.			trans	115.2	-160.5	174.7	0	0	0	0	0	114.3	A380 V381 F466 G467	A380-G469 WeakPolarHBondContact CA-O 3.32Å; A380-G469 WeakPolarHBondContact CB-O 3.23Å; V381-G469 PolarHBondContact N-O 3.21Å; F466-G469 VanDerWaalsContact O-CA 3.29Å; F466-G469 WeakPolarHBondContact O-CA 3.34Å; F466-G469 PolarHBondContact O-N 2.68Å; G467-G469 PolarHBondContact O-N 3.16Å
470	L	97.1	Very high	97	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.005	7%	0.069	C	C	.	.	B	Isolated β-bridge	trans	-76.4	127.2	-173.8	174.3	66.9	0	0	0	111	M171 V362 V381 Y383 A443 R444 L448 D472	M171-L470 HydrophobicContact CG-CD1 3.92Å; M171-L470 HydrophobicContact SD-CD1 4.46Å; V362-L470 HydrophobicContact CG1-CD1 4.16Å; V381-L470 WeakPolarHBondContact O-CA 2.94Å; Y383-L470 HydrophobicContact CD2-CD1 4.06Å; Y383-L470 HydrophobicContact CE2-CD1 3.86Å; Y383-L470 HydrophobicContact CE2-CD2 3.6Å; Y383-L470 HydrophobicContact CE2-CG 4.38Å; Y383-L470 VanDerWaalsContact OH-CD2 3.26Å; Y383-L470 WeakPolarHBondContact OH-CD2 3.23Å; A443-L470 WeakPolarHBondContact CA-O 3.23Å; R444-L470 PolarHBondContact N-O 3.41Å; R444-L470 PolarHBondContact O-N 2.97Å; L448-L470 HydrophobicContact CD1-CB 4.02Å; L448-L470 HydrophobicContact CD2-CB 4.15Å; L470-D472 PolarHBondContact O-N 3.43Å
471	M	97.5	Very high	97	Very high	1 Å²	1	15 Å²	15	1%	0.005	8%	0.078	C	C	.	.			trans	-58.9	128.3	175.7	-64.6	177	73.4	0	0	111.6	A380 V381 T382 A416 I419 V439 M476	A380-M471 HydrophobicContact CB-CG 3.89Å; V381-M471 PolarHBondContact O-N 3.04Å; T382-M471 HydrophobicContact CG2-CB 4.28Å; T382-M471 HydrophobicContact CG2-CG 4.22Å; T382-M471 HydrophobicContact CG2-SD 3.67Å; A416-M471 HydrophobicContact CB-CE 4.1Å; A416-M471 HydrophobicContact CB-SD 3.5Å; A416-M471 WeakPolarHBondContact CB-SD 3.38Å; I419-M471 HydrophobicContact CB-CE 3.95Å; I419-M471 HydrophobicContact CD1-CB 3.79Å; I419-M471 HydrophobicContact CD1-CE 4.47Å; I419-M471 HydrophobicContact CG2-CE 3.87Å; V439-M471 HydrophobicContact CG2-CE 4.04Å; M471-M476 HydrophobicContact CE-CE 4.05Å; M471-M476 HydrophobicContact CE-SD 3.76Å
472	D	95.7	Very high	96.8	Very high	10 Å²	10	18 Å²	18	5%	0.053	10%	0.1	C	C	.	.			trans	-111.8	103.7	173.7	-176.2	-44.9	0	0	0	109	N172 R444 L470 A474 A475 M476	N172-D472 VanDerWaalsContact CB-OD1 3.3Å; N172-D472 WeakPolarHBondContact CB-OD1 3.43Å; N172-D472 VanDerWaalsContact ND2-CG 3.34Å; N172-D472 PolarHBondContact ND2-OD1 3.17Å; N172-D472 PolarHBondContact ND2-OD2 2.03Å; R444-D472 VanDerWaalsContact CD-OD2 3.3Å; R444-D472 WeakPolarHBondContact CD-OD2 3.46Å; R444-D472 HydrophobicContact CG-CB 4.06Å; R444-D472 IonicContact CZ-OD2 3.92Å; R444-D472 VanDerWaalsContact CZ-OD2 3.27Å; R444-D472 IonicContact NE-OD2 2.67Å; R444-D472 PolarHBondContact NE-OD2 3.49Å; R444-D472 IonicContact NH1-OD2 2.63Å; R444-D472 PolarHBondContact NH1-OD2 3.4Å; L470-D472 PolarHBondContact O-N 3.43Å; D472-A474 PolarHBondContact O-N 3.24Å; D472-A474 WeakPolarHBondContact OD1-CA 3.34Å; D472-A474 VanDerWaalsContact OD1-CB 3.29Å; D472-A474 WeakPolarHBondContact OD1-CB 3.13Å; D472-A474 PolarHBondContact OD1-N 2.92Å; D472-A475 HydrophobicContact CB-CB 3.98Å; D472-A475 PolarHBondContact O-N 3.08Å; D472-A475 PolarHBondContact OD1-N 3.36Å; D472-M476 WeakPolarHBondContact O-CG 3.29Å; D472-M476 PolarHBondContact O-N 3.47Å
473	A	96.2	Very high	96.7	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.8	-29.8	-176.4	0	0	0	0	0	112.8	M171 V173 V176 I419 L422 V477	M171-A473 WeakPolarHBondContact O-CB 3.5Å; M171-A473 PolarHBondContact O-N 1.88Å; M171-A473 VanDerWaalsContact O-N 3.07Å; V173-A473 HydrophobicContact CG1-CB 3.87Å; V176-A473 VanDerWaalsContact CG2-C 3.41Å; V176-A473 HydrophobicContact CG2-CB 3.96Å; V176-A473 VanDerWaalsContact CG2-O 3.25Å; V176-A473 WeakPolarHBondContact CG2-O 3.49Å; I419-A473 HydrophobicContact CG1-CB 4.15Å; I419-A473 HydrophobicContact CG2-CB 3.81Å; L422-A473 HydrophobicContact CD1-CB 4.15Å; A473-V477 WeakPolarHBondContact O-CB 3.28Å; A473-V477 WeakPolarHBondContact O-CG2 3.17Å; A473-V477 PolarHBondContact O-N 2.93Å; A473-V477 VanDerWaalsContact O-N 3.07Å
474	A	93.8	Very high	96.6	Very high	6 Å²	6	23.9 Å²	23.9	5%	0.05	13%	0.134	C	C	.	.	H	α-helix	trans	-74	-41.1	179.8	0	0	0	0	0	111.9	N172 S175 V176 R179 D472 D478	N172-A474 HydrophobicContact CB-CB 4.04Å; N172-A474 VanDerWaalsContact CG-CB 3.47Å; N172-A474 WeakPolarHBondContact ND2-CB 3.34Å; S175-A474 WeakPolarHBondContact OG-CB 3.46Å; V176-A474 HydrophobicContact CG2-CB 4.15Å; R179-A474 PolarHBondContact NH2-O 3.05Å; D472-A474 PolarHBondContact O-N 3.24Å; D472-A474 WeakPolarHBondContact OD1-CA 3.34Å; D472-A474 VanDerWaalsContact OD1-CB 3.29Å; D472-A474 WeakPolarHBondContact OD1-CB 3.13Å; D472-A474 PolarHBondContact OD1-N 2.92Å; A474-D478 VanDerWaalsContact O-CB 3.26Å; A474-D478 WeakPolarHBondContact O-CB 3.32Å; A474-D478 VanDerWaalsContact O-CG 3.24Å; A474-D478 PolarHBondContact O-N 2.85Å
475	A	94.4	Very high	96.5	Very high	30 Å²	30	25.7 Å²	25.7	25%	0.248	15%	0.145	C	C	.	.	H	α-helix	trans	-69.2	-40.6	176.3	0	0	0	0	0	111.5	T442 D472 D478 L479	T442-A475 HydrophobicContact CG2-CB 4.03Å; T442-A475 WeakPolarHBondContact CG2-O 3.21Å; D472-A475 HydrophobicContact CB-CB 3.98Å; D472-A475 PolarHBondContact O-N 3.08Å; D472-A475 PolarHBondContact OD1-N 3.36Å; A475-D478 PolarHBondContact O-N 3.25Å; A475-L479 WeakPolarHBondContact O-CB 3.49Å; A475-L479 PolarHBondContact O-N 3.1Å
476	M	97.2	Very high	96.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-57.5	-49	172.1	-72.1	-179	68.9	0	0	111.3	I419 T423 L435 V439 T442 M471 D472 L479 A480	I419-M476 HydrophobicContact CG2-CE 4.17Å; I419-M476 HydrophobicContact CG2-SD 3.48Å; I419-M476 WeakPolarHBondContact CG2-SD 3.28Å; T423-M476 HydrophobicContact CG2-CB 4.29Å; T423-M476 HydrophobicContact CG2-CE 4.38Å; L435-M476 HydrophobicContact CD2-CE 3.67Å; V439-M476 HydrophobicContact CG2-CE 3.52Å; V439-M476 HydrophobicContact CG2-SD 4.05Å; T442-M476 WeakPolarHBondContact OG1-CG 3.36Å; M471-M476 HydrophobicContact CE-CE 4.05Å; M471-M476 HydrophobicContact CE-SD 3.76Å; D472-M476 WeakPolarHBondContact O-CG 3.29Å; D472-M476 PolarHBondContact O-N 3.47Å; M476-L479 PolarHBondContact O-N 3.46Å; M476-A480 WeakPolarHBondContact O-CB 3.31Å; M476-A480 PolarHBondContact O-N 3.13Å
477	V	96.7	Very high	96.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-69.5	-39.4	178.4	168.5	0	0	0	0	112.8	V176 Y181 A426 A473 L479 A480 L481	V176-V477 HydrophobicContact CG1-CB 4.42Å; V176-V477 HydrophobicContact CG1-CG1 4.42Å; V176-V477 HydrophobicContact CG1-CG2 3.84Å; V176-V477 HydrophobicContact CG2-CB 4.28Å; V176-V477 HydrophobicContact CG2-CG2 4.19Å; Y181-V477 HydrophobicContact CD2-CG1 3.99Å; Y181-V477 HydrophobicContact CE2-CG1 4.27Å; A426-V477 HydrophobicContact CB-CB 4.41Å; A426-V477 HydrophobicContact CB-CG1 3.73Å; A426-V477 HydrophobicContact CB-CG2 4.11Å; A473-V477 WeakPolarHBondContact O-CB 3.28Å; A473-V477 WeakPolarHBondContact O-CG2 3.17Å; A473-V477 PolarHBondContact O-N 2.93Å; A473-V477 VanDerWaalsContact O-N 3.07Å; V477-L479 VanDerWaalsContact C-N 3.25Å; V477-L479 PolarHBondContact O-N 3.27Å; V477-A480 PolarHBondContact O-N 2.8Å; V477-L481 HydrophobicContact CG1-CD1 3.98Å; V477-L481 HydrophobicContact CG1-CG 4.4Å; V477-L481 WeakPolarHBondContact O-CD1 3.19Å; V477-L481 VanDerWaalsContact O-CG 3.24Å; V477-L481 WeakPolarHBondContact O-CG 3.43Å; V477-L481 PolarHBondContact O-N 3.02Å
478	D	95.1	Very high	96	Very high	70 Å²	70	31.6 Å²	31.6	37%	0.374	18%	0.182	S	C	.	.	H	α-helix	trans	-57	-40	174.7	-85.8	16.7	0	0	0	111.7	R179 A474 A475	R179-D478 IonicContact CZ-OD1 2.77Å; R179-D478 IonicContact NH1-OD1 3.62Å; R179-D478 PolarHBondContact NH1-OD1 3.23Å; R179-D478 IonicContact NH2-OD1 3.82Å; R179-D478 PolarHBondContact NH2-OD1 2.88Å; A474-D478 VanDerWaalsContact O-CB 3.26Å; A474-D478 WeakPolarHBondContact O-CB 3.32Å; A474-D478 VanDerWaalsContact O-CG 3.24Å; A474-D478 PolarHBondContact O-N 2.85Å; A475-D478 PolarHBondContact O-N 3.25Å
479	L	95.8	Very high	95.9	Very high	22 Å²	22	33.5 Å²	33.5	12%	0.115	19%	0.191	C	C	.	.	H	α-helix	trans	-79.8	-44.6	179.6	-174	57.1	0	0	0	111.8	L438 Y441 T442 A475 M476 V477 L481 N482 W483 V630	L438-L479 HydrophobicContact CD2-CB 3.85Å; L438-L479 HydrophobicContact CD2-CD2 3.59Å; L438-L479 HydrophobicContact CD2-CG 3.46Å; L438-L479 VanDerWaalsContact CD2-CG 3.46Å; Y441-L479 HydrophobicContact CD2-CD2 4.38Å; T442-L479 HydrophobicContact CG2-CB 4.21Å; T442-L479 HydrophobicContact CG2-CD2 3.75Å; A475-L479 WeakPolarHBondContact O-CB 3.49Å; A475-L479 PolarHBondContact O-N 3.1Å; M476-L479 PolarHBondContact O-N 3.46Å; V477-L479 VanDerWaalsContact C-N 3.25Å; V477-L479 PolarHBondContact O-N 3.27Å; L479-L481 VanDerWaalsContact C-N 3.26Å; L479-L481 PolarHBondContact O-N 3.22Å; L479-N482 CarbonylContact O-C 3.12Å; L479-N482 PolarHBondContact O-N 3.47Å; L479-N482 VanDerWaalsContact O-N 3.09Å; L479-W483 HydrophobicContact CD1-CE3 3.94Å; L479-W483 HydrophobicContact CD1-CZ3 4.22Å; L479-W483 HydrophobicContact CD2-CE3 4.19Å; L479-W483 HydrophobicContact CD2-CZ3 4.05Å; L479-W483 HydrophobicContact CG-CE3 3.83Å; L479-W483 HydrophobicContact CG-CZ3 4.17Å; L479-W483 PolarHBondContact O-N 2.88Å; L479-W483 VanDerWaalsContact O-N 3.1Å; L479-V630 HydrophobicContact CD1-CG1 3.91Å; L479-V630 HydrophobicContact CD2-CG1 4.25Å
480	A	97.1	Very high	95.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-53.3	-40	178.3	0	0	0	0	0	113.5	T423 N427 L430 L438 M476 V477 N482 W483	T423-A480 HydrophobicContact CG2-CB 3.81Å; N427-A480 HydrophobicContact CB-CB 4.23Å; N427-A480 WeakPolarHBondContact CB-O 3.44Å; N427-A480 PolarHBondContact ND2-O 2.95Å; L430-A480 HydrophobicContact CD1-CB 4.07Å; L438-A480 HydrophobicContact CD1-CB 3.83Å; M476-A480 WeakPolarHBondContact O-CB 3.31Å; M476-A480 PolarHBondContact O-N 3.13Å; V477-A480 PolarHBondContact O-N 2.8Å; A480-N482 PolarHBondContact O-N 3.38Å; A480-N482 VanDerWaalsContact O-N 3.17Å; A480-W483 PolarHBondContact O-N 2.68Å
481	L	95.9	Very high	95.7	Very high	67 Å²	67	37.1 Å²	37.1	35%	0.351	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-17	-178.8	-74.3	167.7	0	0	0	114.4	Y181 A426 V477 L479	Y181-L481 HydrophobicContact CE2-CD1 4.24Å; Y181-L481 WeakPolarHBondContact OH-CD2 3.5Å; A426-L481 HydrophobicContact CB-CD2 4.11Å; A426-L481 HydrophobicContact CB-CG 4.3Å; V477-L481 HydrophobicContact CG1-CD1 3.98Å; V477-L481 HydrophobicContact CG1-CG 4.4Å; V477-L481 WeakPolarHBondContact O-CD1 3.19Å; V477-L481 VanDerWaalsContact O-CG 3.24Å; V477-L481 WeakPolarHBondContact O-CG 3.43Å; V477-L481 PolarHBondContact O-N 3.02Å; L479-L481 VanDerWaalsContact C-N 3.26Å; L479-L481 PolarHBondContact O-N 3.22Å
482	N	93.6	Very high	95.7	Very high	142 Å²	142	37.1 Å²	37.1	76%	0.759	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-129.5	20.9	176.8	-57.6	-89.6	0	0	0	111.5	L479 A480	L479-N482 CarbonylContact O-C 3.12Å; L479-N482 PolarHBondContact O-N 3.47Å; L479-N482 VanDerWaalsContact O-N 3.09Å; A480-N482 PolarHBondContact O-N 3.38Å; A480-N482 VanDerWaalsContact O-N 3.17Å
483	W	96.1	Very high	95.7	Very high	19 Å²	19	39.5 Å²	39.5	7%	0.072	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-80.8	133.2	-178.6	-170.2	-102.2	0	0	0	111.1	L430 D434 Y437 L438 Y441 L479 A480 V486 P628	L430-W483 HydrophobicContact CD2-CB 4.16Å; L430-W483 HydrophobicContact CD2-CG 4.04Å; D434-W483 PolarHBondContact OD1-NE1 3.37Å; Y437-W483 HydrophobicContact CD1-CH2 4.49Å; Y437-W483 HydrophobicContact CG-CZ2 4.22Å; L438-W483 HydrophobicContact CD2-CD2 3.91Å; L438-W483 HydrophobicContact CD2-CE3 3.85Å; L438-W483 HydrophobicContact CD2-CG 4.22Å; L438-W483 HydrophobicContact CD2-CZ3 4.4Å; Y441-W483 AromaticContact CD2-CH2 3.71Å; Y441-W483 HydrophobicContact CD2-CH2 3.71Å; Y441-W483 AromaticContact CD2-CZ3 3.83Å; Y441-W483 HydrophobicContact CD2-CZ3 3.83Å; Y441-W483 AromaticContact CE2-CH2 3.63Å; Y441-W483 HydrophobicContact CE2-CH2 3.63Å; Y441-W483 HydrophobicContact CE2-CZ3 4.06Å; L479-W483 HydrophobicContact CD1-CE3 3.94Å; L479-W483 HydrophobicContact CD1-CZ3 4.22Å; L479-W483 HydrophobicContact CD2-CE3 4.19Å; L479-W483 HydrophobicContact CD2-CZ3 4.05Å; L479-W483 HydrophobicContact CG-CE3 3.83Å; L479-W483 HydrophobicContact CG-CZ3 4.17Å; L479-W483 PolarHBondContact O-N 2.88Å; L479-W483 VanDerWaalsContact O-N 3.1Å; A480-W483 PolarHBondContact O-N 2.68Å; W483-V486 HydrophobicContact CZ2-CG1 3.84Å; W483-P628 HydrophobicContact CH2-CB 4.19Å; W483-P628 HydrophobicContact CH2-CG 4.13Å; W483-P628 HydrophobicContact CZ2-CB 4.46Å; W483-P628 HydrophobicContact CZ2-CG 3.93Å; W483-P628 HydrophobicContact CZ3-CB 4.2Å
484	T	95.5	Very high	95.7	Very high	103 Å²	103	40 Å²	40	63%	0.632	22%	0.223	S	C	*	.	P	Polyproline II helix	trans	-96.5	130.2	166.8	-58.7	0	0	0	0	107.4	P628	T484-P628 WeakPolarHBondContact O-CG 3.5Å
485	N	96.5	Very high	95.7	Very high	61 Å²	61	44.3 Å²	44.3	33%	0.326	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-59	144.3	-178.2	-65.8	26.8	0	0	0	112.3	N429 D434	N429-N485 PolarHBondContact O-ND2 2.9Å; D434-N485 VanDerWaalsContact OD1-CA 3.27Å; D434-N485 WeakPolarHBondContact OD1-CA 3.27Å; D434-N485 WeakPolarHBondContact OD2-CB 3.49Å; D434-N485 VanDerWaalsContact OD2-CG 3.3Å; D434-N485 PolarHBondContact OD2-ND2 3.44Å
486	V	96.6	Very high	95.7	Very high	14 Å²	14	43.2 Å²	43.2	9%	0.085	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-67	154.1	-179.1	-65.7	0	0	0	0	112.7	R433 D434 Y437 W483 P627 P628	R433-V486 HydrophobicContact CB-CG2 4.09Å; D434-V486 WeakPolarHBondContact OD1-CG2 3.5Å; D434-V486 PolarHBondContact OD1-N 3.15Å; Y437-V486 HydrophobicContact CD1-CG1 4.48Å; Y437-V486 HydrophobicContact CD2-CB 4.49Å; Y437-V486 HydrophobicContact CD2-CG1 3.65Å; Y437-V486 HydrophobicContact CD2-CG2 4.31Å; Y437-V486 HydrophobicContact CE1-CG1 4.5Å; Y437-V486 HydrophobicContact CE2-CB 4.22Å; Y437-V486 HydrophobicContact CE2-CG1 3.68Å; Y437-V486 HydrophobicContact CE2-CG2 4.16Å; Y437-V486 HydrophobicContact CG-CG1 4.07Å; W483-V486 HydrophobicContact CZ2-CG1 3.84Å; V486-P627 HydrophobicContact CG1-CB 4.32Å; V486-P628 HydrophobicContact CG1-CG 4.42Å
487	P	94.5	Very high	95.2	Very high	26 Å²	26	48 Å²	48	17%	0.169	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-52	157.5	172.3	-25.7	32.2	0	0	0	113.3	R433 Q489 T623 T625	R433-P487 VanDerWaalsContact CZ-O 3.32Å; R433-P487 PolarHBondContact NH1-O 3.4Å; R433-P487 PolarHBondContact NH2-O 3.18Å; P487-Q489 PolarHBondContact O-N 3.3Å; P487-T623 HydrophobicContact CB-CG2 3.87Å; P487-T623 HydrophobicContact CG-CG2 4.11Å; P487-T625 VanDerWaalsContact CG-OG1 3.23Å; P487-T625 WeakPolarHBondContact CG-OG1 3.39Å
488	P	94.2	Very high	94.6	Very high	87 Å²	87	50.1 Å²	50.1	57%	0.565	27%	0.274	S	S	*	.	P	Polyproline II helix	trans	-52.3	140.7	173	-26	34.8	0	0	0	112
489	Q	95.9	Very high	93.4	Very high	45 Å²	45	53.6 Å²	53.6	21%	0.21	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-64.6	143	-179	-156.8	175.5	43.3	0	0	110.7	P487 E538	P487-Q489 PolarHBondContact O-N 3.3Å; Q489-E538 PolarHBondContact NE2-OE2 3.03Å
490	R	95.9	Very high	92.6	Very high	56 Å²	56	56 Å²	56	21%	0.211	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	145	177.3	-55.9	-65.4	170.4	-152.6	10	108.3	S531 R533 V534 G622 N624	R490-S531 WeakPolarHBondContact CD-O 3.08Å; R490-R533 WeakPolarHBondContact CB-O 3.38Å; R490-R533 WeakPolarHBondContact CG-O 3.29Å; R490-V534 HydrophobicContact CB-CG2 3.85Å; R490-G622 PolarHBondContact N-O 2.68Å; R490-G622 PolarHBondContact O-N 3.38Å; R490-G622 VanDerWaalsContact O-N 3.08Å; R490-N624 HydrophobicContact CG-CB 4.29Å
491	V	95.8	Very high	92.1	Very high	20 Å²	20	61.2 Å²	61.2	12%	0.121	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	124.2	-178.7	-169.5	0	0	0	0	109.1	H532 I619 L620 Y621	V491-H532 PolarHBondContact O-ND1 3.01Å; V491-I619 HydrophobicContact CG1-CG2 3.76Å; V491-L620 WeakPolarHBondContact CA-O 3.29Å; V491-Y621 HydrophobicContact CB-CE1 4.42Å; V491-Y621 HydrophobicContact CG1-CD1 4.19Å; V491-Y621 HydrophobicContact CG1-CE1 3.8Å; V491-Y621 HydrophobicContact CG2-CD1 3.71Å; V491-Y621 HydrophobicContact CG2-CE1 3.71Å
492	C	96.7	Very high	91.9	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.007	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	125.1	174.7	169.1	0	0	0	0	109	C520 V534 I619 L620	C492-C520 WeakPolarHBondContact CA-SG 3.44Å; C492-C520 HydrophobicContact CB-CB 3.65Å; C492-C520 WeakPolarHBondContact CB-SG 3.5Å; C492-C520 WeakPolarHBondContact SG-CB 3.44Å; C492-C520 PolarHBondContact SG-N 2.93Å; C492-C520 CovalentContact SG-SG 2.04Å; C492-C520 PolarHBondContact SG-SG 2.81Å; C492-V534 HydrophobicContact CB-CB 4.23Å; C492-V534 HydrophobicContact CB-CG2 3.73Å; C492-I619 WeakPolarHBondContact O-CA 3.47Å; C492-L620 HydrophobicContact CB-CB 4.31Å; C492-L620 PolarHBondContact N-O 3.07Å; C492-L620 PolarHBondContact O-N 2.91Å
493	E	96	Very high	92	Very high	60 Å²	60	56.7 Å²	56.7	28%	0.28	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	123.5	170.1	177.4	159.3	-144	0	0	109.8	K543 S617 L618 I619 N735	E493-K543 IonicContact OE1-NZ 2.89Å; E493-K543 PolarHBondContact OE1-NZ 3.49Å; E493-K543 IonicContact OE2-NZ 2.7Å; E493-S617 WeakPolarHBondContact OE1-CB 3.48Å; E493-S617 PolarHBondContact OE1-OG 3.32Å; E493-L618 WeakPolarHBondContact CA-O 3.45Å; E493-I619 HydrophobicContact CB-CG1 4.48Å; E493-I619 HydrophobicContact CG-CG1 4.22Å; E493-N735 PolarHBondContact OE2-ND2 2.7Å
494	A	95.6	Very high	91.9	Very high	12 Å²	12	59.8 Å²	59.8	10%	0.099	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	119.1	175.5	0	0	0	0	0	109.8	L515 S617 L618	A494-L515 HydrophobicContact CB-CD1 4.41Å; A494-L515 HydrophobicContact CB-CD2 4.15Å; A494-L515 WeakPolarHBondContact O-CD2 3.23Å; A494-S617 WeakPolarHBondContact O-CA 3.31Å; A494-S617 WeakPolarHBondContact O-CB 3.47Å; A494-L618 PolarHBondContact N-O 2.86Å; A494-L618 PolarHBondContact O-N 3.36Å
495	Q	95.2	Very high	91.9	Very high	96 Å²	96	55.1 Å²	55.1	45%	0.449	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	138.2	177.9	-165.2	66.7	37.4	0	0	110.8	L515 D615 W616	Q495-L515 WeakPolarHBondContact O-CD1 3.23Å; Q495-D615 PolarHBondContact NE2-OD1 2.95Å; Q495-D615 PolarHBondContact NE2-OD2 2.89Å; Q495-W616 PolarHBondContact NE2-O 3.35Å
496	A	93.9	Very high	91.9	Very high	7 Å²	7	61.8 Å²	61.8	6%	0.058	36%	0.355	C	S	.	.			trans	-72.2	146	171.5	0	0	0	0	0	111.6	M498 W616	A496-M498 HydrophobicContact CB-CG 4.21Å; A496-M498 PolarHBondContact O-N 3.09Å; A496-W616 HydrophobicContact CB-CD2 3.93Å; A496-W616 HydrophobicContact CB-CG 3.93Å; A496-W616 HydrophobicContact CB-CZ2 4.22Å; A496-W616 VanDerWaalsContact CB-NE1 3.31Å; A496-W616 WeakPolarHBondContact CB-O 3.37Å; A496-W616 PolarHBondContact N-O 1.99Å
497	P	87.2	Confident	91.9	Very high	101 Å²	101	66.7 Å²	66.7	66%	0.656	38%	0.378	S	S	*	.			trans	-77.4	64.3	178.8	32.6	-36.3	0	0	0	111.9	T499	P497-T499 PolarHBondContact O-N 2.93Å
498	M	83.6	Confident	92	Very high	44 Å²	44	72.3 Å²	72.3	22%	0.217	40%	0.403	C	S	.	.			trans	-92.1	70.8	179.3	-71	-161.9	62.6	0	0	112.1	A496 G500 I503 L513 I613 H614	A496-M498 HydrophobicContact CB-CG 4.21Å; A496-M498 PolarHBondContact O-N 3.09Å; M498-G500 PolarHBondContact O-N 3.26Å; M498-I503 HydrophobicContact CE-CD1 4.01Å; M498-I503 HydrophobicContact CE-CG1 4.14Å; M498-L513 HydrophobicContact SD-CD1 4.13Å; M498-I613 HydrophobicContact CE-CG1 4.26Å; M498-I613 HydrophobicContact CE-CG2 4.11Å; M498-I613 WeakPolarHBondContact CE-O 3.26Å; M498-I613 HydrophobicContact SD-CG1 4.3Å; M498-H614 WeakPolarHBondContact CE-O 3.27Å
499	T	70	Confident	92.1	Very high	143 Å²	143	70.2 Å²	70.2	88%	0.877	39%	0.391	S	S	*	.			trans	-92.1	95.9	177.9	48	0	0	0	0	112.1	P497	P497-T499 PolarHBondContact O-N 2.93Å
500	G	78.7	Confident	92.2	Very high	72 Å²	72	74.4 Å²	74.4	74%	0.742	41%	0.408	S	S	*	.	S	Bend	trans	150.5	-151.1	171.8	0	0	0	0	0	114.2	M498	M498-G500 PolarHBondContact O-N 3.26Å
501	S	87.1	Confident	92.2	Very high	110 Å²	110	75.4 Å²	75.4	77%	0.769	42%	0.415	S	S	*	.	S	Bend	trans	-76.9	154.2	173.2	-54.2	0	0	0	0	111.8	I503	S501-I503 PolarHBondContact O-N 3.35Å
502	P	92.1	Very high	92.3	Very high	50 Å²	50	77.9 Å²	77.9	33%	0.325	43%	0.428	S	S	.	.			trans	-55.7	131.6	-179.7	-27.8	36.4	0	0	0	113.8	T504 I613 H614	P502-T504 PolarHBondContact O-N 3.06Å; P502-T504 PolarHBondContact O-OG1 2.84Å; P502-I613 CarbonylContact C-O 3.53Å; P502-I613 VanDerWaalsContact CA-O 3.26Å; P502-I613 WeakPolarHBondContact CA-O 3.42Å; P502-I613 WeakPolarHBondContact CB-O 3.39Å; P502-H614 HydrophobicContact CG-CB 4.43Å; P502-H614 WeakPolarHBondContact CG-ND1 3.28Å
503	I	94.4	Very high	92.3	Very high	63 Å²	63	78.8 Å²	78.8	32%	0.323	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	114.5	-179.4	-58.5	173.5	0	0	0	108	M498 S501 E511 L513 S612 I613	M498-I503 HydrophobicContact CE-CD1 4.01Å; M498-I503 HydrophobicContact CE-CG1 4.14Å; S501-I503 PolarHBondContact O-N 3.35Å; I503-E511 HydrophobicContact CG2-CG 4.15Å; I503-L513 HydrophobicContact CD1-CD2 3.69Å; I503-S612 WeakPolarHBondContact O-CA 3.35Å; I503-I613 HydrophobicContact CB-CG2 3.86Å; I503-I613 PolarHBondContact N-O 2.82Å; I503-I613 PolarHBondContact O-N 3.05Å
504	T	95.2	Very high	92.3	Very high	84 Å²	84	78.9 Å²	78.9	52%	0.515	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	110.1	-171.7	-62.7	0	0	0	0	111.5	P502 V610 S612	P502-T504 PolarHBondContact O-N 3.06Å; P502-T504 PolarHBondContact O-OG1 2.84Å; T504-V610 HydrophobicContact CG2-CG1 3.59Å; T504-S612 WeakPolarHBondContact CG2-OG 3.32Å; T504-S612 PolarHBondContact OG1-OG 2.95Å
505	I	95.8	Very high	92.3	Very high	5 Å²	5	78.8 Å²	78.8	3%	0.026	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	125.5	-176.1	-49.8	176	0	0	0	108.5	S509 E511 V604 V610 V611	I505-S509 VanDerWaalsContact CG2-OG 3.28Å; I505-S509 WeakPolarHBondContact CG2-OG 3.38Å; I505-E511 HydrophobicContact CD1-CB 3.67Å; I505-E511 HydrophobicContact CG1-CB 3.87Å; I505-V604 HydrophobicContact CD1-CB 3.55Å; I505-V604 HydrophobicContact CD1-CG1 3.44Å; I505-V604 VanDerWaalsContact CD1-CG1 3.44Å; I505-V610 WeakPolarHBondContact O-CG1 3.48Å; I505-V611 WeakPolarHBondContact CA-O 3.49Å; I505-V611 HydrophobicContact CB-CB 4.47Å; I505-V611 WeakPolarHBondContact CB-O 3.23Å; I505-V611 PolarHBondContact N-O 2.82Å; I505-V611 PolarHBondContact O-N 3.42Å; I505-V611 VanDerWaalsContact O-N 3.15Å
506	R	96.4	Very high	92.4	Very high	201 Å²	201	78.9 Å²	78.9	76%	0.758	45%	0.448	S	S	*	.			trans	-74.1	154.5	-178.5	-60	-178.2	-176.4	-175.4	0.7	111.2	M508 S509 S606	R506-M508 PolarHBondContact O-N 2.89Å; R506-S509 PolarHBondContact N-OG 2.99Å; R506-S509 VanDerWaalsContact O-CB 3.29Å; R506-S509 WeakPolarHBondContact O-CB 3.38Å; R506-S509 PolarHBondContact O-N 2.95Å; R506-S509 VanDerWaalsContact O-N 3.11Å; R506-S509 PolarHBondContact O-OG 3.42Å; R506-S606 WeakPolarHBondContact O-CB 3.35Å; R506-S606 PolarHBondContact O-OG 2.77Å
507	Q	95.7	Very high	92.6	Very high	118 Å²	118	79.2 Å²	79.2	55%	0.551	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.8	137.5	170.3	-68.4	167.9	-50.1	0	0	111	S509 S606 G607 N608 V610	Q507-S509 PolarHBondContact O-N 3.43Å; Q507-S606 WeakPolarHBondContact CA-OG 3.45Å; Q507-G607 CarbonylContact C-O 3.59Å; Q507-G607 VanDerWaalsContact CA-O 3.31Å; Q507-G607 WeakPolarHBondContact CA-O 3.39Å; Q507-N608 PolarHBondContact NE2-O 3Å; Q507-V610 HydrophobicContact CG-CG2 3.97Å
508	M	96.3	Very high	93	Very high	143 Å²	143	77 Å²	77	70%	0.704	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	25.3	179.8	-55.7	-59.2	-75.3	0	0	114.9	R506 S606 G607	R506-M508 PolarHBondContact O-N 2.89Å; M508-S606 CarbonylContact C-O 3.53Å; M508-S606 WeakPolarHBondContact CA-O 3.47Å; M508-S606 PolarHBondContact N-O 3.12Å; M508-S606 VanDerWaalsContact N-O 3.08Å; M508-G607 PolarHBondContact N-O 2.93Å
509	S	97.6	Very high	93.6	Very high	43 Å²	43	74.9 Å²	74.9	30%	0.301	42%	0.422	S	S	.	.			trans	-121	174.4	176.1	83	0	0	0	0	112.5	I505 R506 Q507 S606	I505-S509 VanDerWaalsContact CG2-OG 3.28Å; I505-S509 WeakPolarHBondContact CG2-OG 3.38Å; R506-S509 PolarHBondContact N-OG 2.99Å; R506-S509 VanDerWaalsContact O-CB 3.29Å; R506-S509 WeakPolarHBondContact O-CB 3.38Å; R506-S509 PolarHBondContact O-N 2.95Å; R506-S509 VanDerWaalsContact O-N 3.11Å; R506-S509 PolarHBondContact O-OG 3.42Å; Q507-S509 PolarHBondContact O-N 3.43Å; S509-S606 PolarHBondContact N-O 3.29Å; S509-S606 PolarHBondContact O-N 3.15Å
510	K	96.9	Very high	94.8	Very high	133 Å²	133	68.9 Å²	68.9	58%	0.578	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.5	151.2	176.2	66.2	175.7	-177	173.6	0	111.6	T603 V604 K605	K510-T603 HydrophobicContact CD-CG2 4.33Å; K510-V604 CarbonylContact C-O 3.6Å; K510-V604 WeakPolarHBondContact CA-O 3.36Å; K510-V604 WeakPolarHBondContact CB-O 3.35Å; K510-K605 HydrophobicContact CB-CB 4.03Å; K510-K605 HydrophobicContact CB-CG 4.32Å
511	E	97	Very high	95.6	Very high	78 Å²	78	69.1 Å²	69.1	36%	0.364	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	152.2	176.3	-167.1	49	-98.2	0	0	110.8	I503 I505 L513 T603 V604	I503-E511 HydrophobicContact CG2-CG 4.15Å; I505-E511 HydrophobicContact CD1-CB 3.67Å; I505-E511 HydrophobicContact CG1-CB 3.87Å; E511-L513 HydrophobicContact CG-CD2 4Å; E511-T603 WeakPolarHBondContact O-CA 2.98Å; E511-V604 PolarHBondContact N-O 3.4Å; E511-V604 PolarHBondContact O-N 2.86Å
512	N	96.6	Very high	95.8	Very high	72 Å²	72	67.8 Å²	67.8	39%	0.385	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	102.5	-177.9	-58.2	-101.3	0	0	0	109.9	K601	N512-K601 HydrophobicContact CB-CD 4.19Å; N512-K601 HydrophobicContact CB-CG 4.28Å
513	L	96.6	Very high	95.8	Very high	20 Å²	20	68.2 Å²	68.2	11%	0.105	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	126.8	178.6	-54.3	-175.9	0	0	0	110.2	M498 I503 E511 K601 L602 I613 W616	M498-L513 HydrophobicContact SD-CD1 4.13Å; I503-L513 HydrophobicContact CD1-CD2 3.69Å; E511-L513 HydrophobicContact CG-CD2 4Å; L513-K601 CarbonylContact O-C 3.59Å; L513-K601 VanDerWaalsContact O-CA 3.32Å; L513-K601 WeakPolarHBondContact O-CA 3.41Å; L513-L602 PolarHBondContact N-O 3.24Å; L513-L602 PolarHBondContact O-N 2.85Å; L513-I613 HydrophobicContact CD1-CD1 3.83Å; L513-I613 HydrophobicContact CD1-CG2 3.99Å; L513-W616 HydrophobicContact CB-CZ2 3.99Å
514	A	96.5	Very high	95.5	Very high	61 Å²	61	65.2 Å²	65.2	50%	0.504	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	139.4	178.7	0	0	0	0	0	111.4	T599 W600	A514-T599 HydrophobicContact CB-CG2 3.94Å; A514-W600 WeakPolarHBondContact CA-O 3.31Å
515	L	96.8	Very high	95.3	Very high	11 Å²	11	64.7 Å²	64.7	6%	0.058	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	115.3	173.4	170.4	52.9	0	0	0	108.7	A494 Q495 W600 W616 L618	A494-L515 HydrophobicContact CB-CD1 4.41Å; A494-L515 HydrophobicContact CB-CD2 4.15Å; A494-L515 WeakPolarHBondContact O-CD2 3.23Å; Q495-L515 WeakPolarHBondContact O-CD1 3.23Å; L515-W600 PolarHBondContact N-O 2.84Å; L515-W600 PolarHBondContact O-N 2.85Å; L515-W616 HydrophobicContact CB-CH2 3.54Å; L515-W616 HydrophobicContact CB-CZ2 3.79Å; L515-W616 HydrophobicContact CB-CZ3 4.35Å; L515-W616 HydrophobicContact CD2-CH2 4.01Å; L515-W616 HydrophobicContact CD2-CZ3 3.99Å; L515-W616 HydrophobicContact CG-CH2 4.43Å; L515-L618 HydrophobicContact CD2-CB 3.7Å; L515-L618 HydrophobicContact CD2-CD2 4.42Å
516	T	97.2	Very high	95.1	Very high	98 Å²	98	72 Å²	72	60%	0.601	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	128.4	172.7	-58.3	0	0	0	0	109.8	G598 T599	T516-G598 WeakPolarHBondContact CA-O 3.29Å; T516-T599 PolarHBondContact OG1-OG1 3.41Å
517	T	96.9	Very high	94.8	Very high	13 Å²	13	66 Å²	66	8%	0.08	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	151.8	175.1	179.1	0	0	0	0	110.2	G519 N597 G598 L620	T517-G519 PolarHBondContact OG1-N 2.88Å; T517-N597 CarbonylContact O-C 3.54Å; T517-N597 WeakPolarHBondContact O-CA 3.45Å; T517-G598 PolarHBondContact N-O 3.09Å; T517-G598 PolarHBondContact O-N 2.85Å; T517-L620 HydrophobicContact CG2-CD1 4.02Å
518	D	95.8	Very high	94.5	Very high	54 Å²	54	63.7 Å²	63.7	29%	0.289	39%	0.394	S	S	.	.			trans	-99.1	7.7	173.5	65.6	-2.5	0	0	0	112.5	C520 E521 S522	D518-C520 VanDerWaalsContact OD1-CA 3.22Å; D518-C520 WeakPolarHBondContact OD1-CA 3.44Å; D518-C520 PolarHBondContact OD1-N 3.08Å; D518-E521 HydrophobicContact CB-CB 4.3Å; D518-E521 PolarHBondContact OD1-N 3.33Å; D518-S522 WeakPolarHBondContact OD2-CB 3.26Å; D518-S522 PolarHBondContact OD2-N 3.2Å; D518-S522 PolarHBondContact OD2-OG 3.33Å
519	G	96	Very high	93.9	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	38%	0.38	C	S	.	.	S	Bend	trans	77.5	26	-171.2	0	0	0	0	0	113.1	T517 E521 R533 V534	T517-G519 PolarHBondContact OG1-N 2.88Å; G519-E521 PolarHBondContact O-N 2.77Å; G519-R533 CarbonylContact O-C 3.58Å; G519-R533 WeakPolarHBondContact O-CA 3.25Å; G519-V534 WeakPolarHBondContact CA-O 3.16Å; G519-V534 PolarHBondContact O-N 2.71Å
520	C	96	Very high	93.2	Very high	18 Å²	18	63 Å²	63	12%	0.122	39%	0.389	C	S	.	.	S	Bend	trans	62.9	27	-174.1	-62.3	0	0	0	0	113.3	C492 D518 A523 A524	C492-C520 WeakPolarHBondContact CA-SG 3.44Å; C492-C520 HydrophobicContact CB-CB 3.65Å; C492-C520 WeakPolarHBondContact CB-SG 3.5Å; C492-C520 WeakPolarHBondContact SG-CB 3.44Å; C492-C520 PolarHBondContact SG-N 2.93Å; C492-C520 CovalentContact SG-SG 2.04Å; C492-C520 PolarHBondContact SG-SG 2.81Å; D518-C520 VanDerWaalsContact OD1-CA 3.22Å; D518-C520 WeakPolarHBondContact OD1-CA 3.44Å; D518-C520 PolarHBondContact OD1-N 3.08Å; C520-A523 HydrophobicContact CB-CB 4.35Å; C520-A523 PolarHBondContact O-N 2.9Å; C520-A524 WeakPolarHBondContact O-CB 3.47Å; C520-A524 PolarHBondContact O-N 3.35Å
521	E	94.2	Very high	92.5	Very high	77 Å²	77	57.7 Å²	57.7	36%	0.36	37%	0.369	S	S	.	.	H	α-helix	trans	-65.6	-45.8	179.3	178.1	158.7	-171.4	0	0	112.1	D518 G519 A523 A524 A525 R533	D518-E521 HydrophobicContact CB-CB 4.3Å; D518-E521 PolarHBondContact OD1-N 3.33Å; G519-E521 PolarHBondContact O-N 2.77Å; E521-A523 VanDerWaalsContact C-N 3.35Å; E521-A523 PolarHBondContact O-N 3.33Å; E521-A524 PolarHBondContact O-N 3.5Å; E521-A525 VanDerWaalsContact O-CB 3.27Å; E521-A525 WeakPolarHBondContact O-CB 3.33Å; E521-A525 PolarHBondContact O-N 2.83Å; E521-R533 HydrophobicContact CB-CG 4.33Å; E521-R533 IonicContact OE1-CZ 3.14Å; E521-R533 IonicContact OE1-NE 3.55Å; E521-R533 IonicContact OE1-NH1 3.56Å; E521-R533 IonicContact OE1-NH2 3.58Å; E521-R533 PolarHBondContact OE1-NH2 3.26Å; E521-R533 IonicContact OE2-CZ 2.94Å; E521-R533 IonicContact OE2-NE 2.64Å; E521-R533 PolarHBondContact OE2-NE 3.23Å; E521-R533 IonicContact OE2-NH2 2.87Å; E521-R533 PolarHBondContact OE2-NH2 2.86Å
522	S	92.8	Very high	92	Very high	82 Å²	82	56.3 Å²	56.3	57%	0.573	36%	0.363	S	S	*	.	H	α-helix	trans	-66.4	-36.8	176.9	-55.6	0	0	0	0	112.2	D518 L526	D518-S522 WeakPolarHBondContact OD2-CB 3.26Å; D518-S522 PolarHBondContact OD2-N 3.2Å; D518-S522 PolarHBondContact OD2-OG 3.33Å; S522-L526 VanDerWaalsContact O-CB 3.31Å; S522-L526 WeakPolarHBondContact O-CB 3.11Å; S522-L526 PolarHBondContact O-N 3.37Å
523	A	90.6	Very high	91.9	Very high	58 Å²	58	55.9 Å²	55.9	48%	0.479	36%	0.356	S	S	.	.	H	α-helix	trans	-68.7	-45.3	177.3	0	0	0	0	0	111.5	C520 E521 L526 A527	C520-A523 HydrophobicContact CB-CB 4.35Å; C520-A523 PolarHBondContact O-N 2.9Å; E521-A523 VanDerWaalsContact C-N 3.35Å; E521-A523 PolarHBondContact O-N 3.33Å; A523-L526 PolarHBondContact O-N 2.8Å; A523-A527 WeakPolarHBondContact O-CB 3.49Å; A523-A527 PolarHBondContact O-N 3.05Å
524	A	89.8	Confident	91.9	Very high	1 Å²	1	55 Å²	55	1%	0.008	35%	0.351	C	S	.	.	H	α-helix	trans	-61.1	-43	174	0	0	0	0	0	112.2	C520 E521 A527 G528 D529 L530 R533	C520-A524 WeakPolarHBondContact O-CB 3.47Å; C520-A524 PolarHBondContact O-N 3.35Å; E521-A524 PolarHBondContact O-N 3.5Å; A524-A527 PolarHBondContact O-N 2.8Å; A524-G528 PolarHBondContact O-N 3.47Å; A524-D529 VanDerWaalsContact CA-O 3.25Å; A524-D529 WeakPolarHBondContact CA-O 3.5Å; A524-D529 WeakPolarHBondContact CB-O 3.37Å; A524-D529 PolarHBondContact O-N 3.35Å; A524-D529 VanDerWaalsContact O-N 3.11Å; A524-L530 HydrophobicContact CB-CD2 4.31Å; A524-R533 HydrophobicContact CB-CB 3.97Å
525	A	90.5	Very high	91.9	Very high	73 Å²	73	53.7 Å²	53.7	60%	0.603	34%	0.336	S	S	*	.	H	α-helix	trans	-64.9	-39.4	176.9	0	0	0	0	0	112.6	E521 G528	E521-A525 VanDerWaalsContact O-CB 3.27Å; E521-A525 WeakPolarHBondContact O-CB 3.33Å; E521-A525 PolarHBondContact O-N 2.83Å; A525-G528 PolarHBondContact O-N 2.87Å
526	L	90.8	Very high	91.9	Very high	159 Å²	159	54.8 Å²	54.8	83%	0.832	34%	0.341	S	S	*	.	H	α-helix	trans	-69.6	-36.7	176.6	-177.9	62.8	0	0	0	112.6	S522 A523 G528	S522-L526 VanDerWaalsContact O-CB 3.31Å; S522-L526 WeakPolarHBondContact O-CB 3.11Å; S522-L526 PolarHBondContact O-N 3.37Å; A523-L526 PolarHBondContact O-N 2.8Å; L526-G528 VanDerWaalsContact C-N 3.31Å
527	A	90	Very high	92	Very high	73 Å²	73	50.1 Å²	50.1	60%	0.603	31%	0.312	S	S	*	.	H	α-helix	trans	-76.5	-16.5	176.2	0	0	0	0	0	113.6	A523 A524 D529	A523-A527 WeakPolarHBondContact O-CB 3.49Å; A523-A527 PolarHBondContact O-N 3.05Å; A524-A527 PolarHBondContact O-N 2.8Å; A527-D529 PolarHBondContact O-N 3.47Å
528	G	89	Confident	92.1	Very high	70 Å²	70	49.5 Å²	49.5	72%	0.722	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	6.7	-170.6	0	0	0	0	0	114.3	A524 A525 L526	A524-G528 PolarHBondContact O-N 3.47Å; A525-G528 PolarHBondContact O-N 2.87Å; L526-G528 VanDerWaalsContact C-N 3.31Å
529	D	85.4	Confident	92.2	Very high	79 Å²	79	47 Å²	47	42%	0.422	30%	0.295	S	S	.	.			trans	-122.6	119.6	-177	-177.7	12.5	0	0	0	112	A524 A527 S531	A524-D529 VanDerWaalsContact CA-O 3.25Å; A524-D529 WeakPolarHBondContact CA-O 3.5Å; A524-D529 WeakPolarHBondContact CB-O 3.37Å; A524-D529 PolarHBondContact O-N 3.35Å; A524-D529 VanDerWaalsContact O-N 3.11Å; A527-D529 PolarHBondContact O-N 3.47Å; D529-S531 PolarHBondContact O-N 3.15Å; D529-S531 VanDerWaalsContact OD1-CB 3.26Å; D529-S531 WeakPolarHBondContact OD1-CB 3.44Å; D529-S531 PolarHBondContact OD1-N 3.18Å; D529-S531 PolarHBondContact OD1-OG 3.43Å; D529-S531 WeakPolarHBondContact OD2-CB 3.4Å; D529-S531 PolarHBondContact OD2-OG 2.94Å
530	L	82.6	Confident	92.3	Very high	92 Å²	92	47 Å²	47	48%	0.482	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	9	177.9	-59.4	178.9	0	0	0	113.7	A524 H532 N624	A524-L530 HydrophobicContact CB-CD2 4.31Å; L530-H532 VanDerWaalsContact C-N 3.32Å; L530-H532 PolarHBondContact O-N 2.96Å; L530-N624 PolarHBondContact O-ND2 3.24Å; L530-N624 VanDerWaalsContact O-ND2 3.09Å
531	S	82	Confident	92.5	Very high	22 Å²	22	47 Å²	47	15%	0.154	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-24.1	179.6	74.1	0	0	0	0	114.9	R490 D529	R490-S531 WeakPolarHBondContact CD-O 3.08Å; D529-S531 PolarHBondContact O-N 3.15Å; D529-S531 VanDerWaalsContact OD1-CB 3.26Å; D529-S531 WeakPolarHBondContact OD1-CB 3.44Å; D529-S531 PolarHBondContact OD1-N 3.18Å; D529-S531 PolarHBondContact OD1-OG 3.43Å; D529-S531 WeakPolarHBondContact OD2-CB 3.4Å; D529-S531 PolarHBondContact OD2-OG 2.94Å
532	H	85.4	Confident	92.7	Very high	50 Å²	50	43.4 Å²	43.4	23%	0.231	28%	0.277	C	S	.	.	S	Bend	trans	-95.9	-13.2	178.2	-69.1	-68.4	0	0	0	114.1	V491 L530 V534 Y738	V491-H532 PolarHBondContact O-ND1 3.01Å; L530-H532 VanDerWaalsContact C-N 3.32Å; L530-H532 PolarHBondContact O-N 2.96Å; H532-V534 PolarHBondContact O-N 3.39Å; H532-Y738 AromaticContact CE1-CD1 3.58Å; H532-Y738 AromaticContact CE1-CG 3.86Å
533	R	95.3	Very high	92.9	Very high	63 Å²	63	41.3 Å²	41.3	24%	0.238	26%	0.257	C	S	.	.			trans	-72	127.3	-178.5	-172.8	179.9	177.6	-169.9	0.9	110.7	R490 G519 E521 A524 V535 N624	R490-R533 WeakPolarHBondContact CB-O 3.38Å; R490-R533 WeakPolarHBondContact CG-O 3.29Å; G519-R533 CarbonylContact O-C 3.58Å; G519-R533 WeakPolarHBondContact O-CA 3.25Å; E521-R533 HydrophobicContact CB-CG 4.33Å; E521-R533 IonicContact OE1-CZ 3.14Å; E521-R533 IonicContact OE1-NE 3.55Å; E521-R533 IonicContact OE1-NH1 3.56Å; E521-R533 IonicContact OE1-NH2 3.58Å; E521-R533 PolarHBondContact OE1-NH2 3.26Å; E521-R533 IonicContact OE2-CZ 2.94Å; E521-R533 IonicContact OE2-NE 2.64Å; E521-R533 PolarHBondContact OE2-NE 3.23Å; E521-R533 IonicContact OE2-NH2 2.87Å; E521-R533 PolarHBondContact OE2-NH2 2.86Å; A524-R533 HydrophobicContact CB-CB 3.97Å; R533-V535 HydrophobicContact CG-CG2 4.17Å; R533-N624 HydrophobicContact CB-CB 4.41Å; R533-N624 WeakPolarHBondContact O-CB 3.35Å
534	V	97.1	Very high	93.2	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.012	23%	0.234	C	C	.	.			trans	-115.5	126.3	171.6	-177.4	0	0	0	0	108.3	R490 C492 G519 H532 L537 A596 L620	R490-V534 HydrophobicContact CB-CG2 3.85Å; C492-V534 HydrophobicContact CB-CB 4.23Å; C492-V534 HydrophobicContact CB-CG2 3.73Å; G519-V534 WeakPolarHBondContact CA-O 3.16Å; G519-V534 PolarHBondContact O-N 2.71Å; H532-V534 PolarHBondContact O-N 3.39Å; V534-L537 HydrophobicContact CG1-CD2 4.07Å; V534-A596 HydrophobicContact CB-CB 4.48Å; V534-A596 HydrophobicContact CG1-CB 4.19Å; V534-A596 VanDerWaalsContact O-CB 3.31Å; V534-A596 WeakPolarHBondContact O-CB 3.25Å; V534-L620 HydrophobicContact CB-CB 4.49Å; V534-L620 HydrophobicContact CG1-CB 4.35Å
535	V	96.7	Very high	93.6	Very high	32 Å²	32	39.7 Å²	39.7	19%	0.194	24%	0.242	C	C	.	.			trans	-113.6	-48.4	178.3	178.4	0	0	0	0	110.4	R533 L595 A596 T623	R533-V535 HydrophobicContact CG-CG2 4.17Å; V535-L595 HydrophobicContact CG1-CD2 4.1Å; V535-L595 WeakPolarHBondContact O-CA 3.15Å; V535-A596 PolarHBondContact O-N 3.09Å; V535-T623 PolarHBondContact N-O 3.4Å
536	H	96.6	Very high	93.8	Very high	34 Å²	34	36.3 Å²	36.3	16%	0.157	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	129.4	177.7	-58.2	-79	0	0	0	110.1	G622 T623	H536-G622 CarbonylContact O-C 3.55Å; H536-G622 WeakPolarHBondContact O-CA 3.3Å; H536-T623 PolarHBondContact N-O 2.96Å; H536-T623 PolarHBondContact O-N 2.8Å
537	L	98.2	Very high	94	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	146.1	-173.2	-61.4	172.5	0	0	0	113.7	V534 V540 G593 E594 A596 W600 L620	V534-L537 HydrophobicContact CG1-CD2 4.07Å; L537-V540 HydrophobicContact CD1-CG2 4.09Å; L537-V540 HydrophobicContact CD2-CG2 4.15Å; L537-G593 PolarHBondContact O-N 3.05Å; L537-E594 HydrophobicContact CD1-CB 4.16Å; L537-E594 WeakPolarHBondContact CG-O 3.17Å; L537-E594 PolarHBondContact N-O 2.86Å; L537-A596 HydrophobicContact CD2-CB 3.75Å; L537-A596 HydrophobicContact CG-CB 4.3Å; L537-W600 HydrophobicContact CD1-CH2 3.75Å; L537-W600 HydrophobicContact CD1-CZ2 3.63Å; L537-L620 HydrophobicContact CD2-CB 4.09Å; L537-L620 HydrophobicContact CD2-CD2 3.92Å; L537-L620 HydrophobicContact CD2-CG 4.41Å
538	E	98.5	Very high	94.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	-98	161.7	-70.8	161.8	-159.2	0	0	107.4	R433 Y437 Q489 W592 Y621	R433-E538 IonicContact CZ-OE1 2.68Å; R433-E538 VanDerWaalsContact CZ-OE1 3.27Å; R433-E538 IonicContact CZ-OE2 3.37Å; R433-E538 VanDerWaalsContact NE-CD 3.34Å; R433-E538 IonicContact NE-OE1 3.7Å; R433-E538 PolarHBondContact NE-OE1 2.89Å; R433-E538 VanDerWaalsContact NE-OE1 3.11Å; R433-E538 IonicContact NE-OE2 3.52Å; R433-E538 PolarHBondContact NE-OE2 2.81Å; R433-E538 IonicContact NH2-OE1 3.56Å; R433-E538 PolarHBondContact NH2-OE1 2.99Å; R433-E538 IonicContact NH2-OE2 2.77Å; Y437-E538 HydrophobicContact CE2-CG 3.71Å; Y437-E538 WeakPolarHBondContact CE2-OE1 3.47Å; Y437-E538 WeakPolarHBondContact OH-CG 3.34Å; Y437-E538 PolarHBondContact OH-OE1 3.05Å; Q489-E538 PolarHBondContact NE2-OE2 3.03Å; E538-W592 HydrophobicContact CB-CD2 4.4Å; E538-W592 HydrophobicContact CB-CE3 4.34Å; E538-W592 HydrophobicContact CB-CH2 3.94Å; E538-W592 HydrophobicContact CB-CZ2 4Å; E538-W592 HydrophobicContact CB-CZ3 4.12Å; E538-W592 HydrophobicContact CG-CH2 4.22Å; E538-W592 HydrophobicContact CG-CZ2 3.82Å; E538-Y621 PolarHBondContact N-O 3.06Å
539	H	98.7	Very high	94.4	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	149.8	173.2	-35.4	81.8	0	0	0	111.6	I354 Q436 M587 W592 Y621	I354-H539 HydrophobicContact CB-CB 4.23Å; I354-H539 HydrophobicContact CG2-CB 3.54Å; I354-H539 PolarHBondContact O-NE2 3.47Å; Q436-H539 PolarHBondContact OE1-CE1 3.15Å; Q436-H539 VanDerWaalsContact OE1-CE1 3.28Å; Q436-H539 PolarHBondContact OE1-NE2 3.23Å; H539-M587 HydrophobicContact CB-CG 4.43Å; H539-M587 HydrophobicContact CB-SD 4.21Å; H539-W592 AromaticContact CD2-CZ3 3.87Å; H539-W592 AromaticContact CE1-CH2 3.88Å; H539-W592 AromaticContact CE1-CZ3 3.98Å; H539-W592 AromaticContact NE2-CH2 3.84Å; H539-W592 AromaticContact NE2-CZ3 3.63Å; H539-Y621 HydrophobicContact CB-CD2 4.13Å; H539-Y621 HydrophobicContact CB-CG 4.43Å; H539-Y621 WeakPolarHBondContact O-CB 3.36Å; H539-Y621 PolarHBondContact O-N 3.34Å
540	V	98.7	Very high	94.9	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.006	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	131.7	168.7	174.9	0	0	0	0	108.8	L537 L558 M587 S588 Y591 W600 L618 L620	L537-V540 HydrophobicContact CD1-CG2 4.09Å; L537-V540 HydrophobicContact CD2-CG2 4.15Å; V540-L558 HydrophobicContact CG1-CD2 3.84Å; V540-M587 CarbonylContact O-C 3.43Å; V540-M587 WeakPolarHBondContact O-CA 3.49Å; V540-S588 PolarHBondContact N-O 3.04Å; V540-S588 PolarHBondContact O-N 3.22Å; V540-Y591 HydrophobicContact CB-CD2 3.72Å; V540-Y591 HydrophobicContact CB-CE2 4.04Å; V540-Y591 HydrophobicContact CG1-CD2 4.28Å; V540-Y591 HydrophobicContact CG1-CE2 4.22Å; V540-Y591 HydrophobicContact CG2-CD2 3.66Å; V540-Y591 HydrophobicContact CG2-CE2 4.41Å; V540-Y591 HydrophobicContact CG2-CG 4.4Å; V540-W600 HydrophobicContact CG1-CH2 4.25Å; V540-W600 HydrophobicContact CG1-CZ3 4.17Å; V540-W600 HydrophobicContact CG2-CH2 3.96Å; V540-L618 HydrophobicContact CG1-CD1 3.52Å; V540-L618 HydrophobicContact CG1-CG 4.4Å; V540-L620 HydrophobicContact CB-CD2 4.45Å; V540-L620 HydrophobicContact CG1-CD2 3.93Å; V540-L620 HydrophobicContact CG2-CD2 3.86Å
541	Q	98.7	Very high	95.6	Very high	19 Å²	19	22.7 Å²	22.7	9%	0.089	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.9	173.2	-71.4	179.2	-30	0	0	110.9	P585 F586 M587 L618 I619 Y621	Q541-P585 HydrophobicContact CB-CB 4.31Å; Q541-P585 HydrophobicContact CG-CB 4.4Å; Q541-F586 CarbonylContact C-O 3.56Å; Q541-F586 VanDerWaalsContact CA-O 3.28Å; Q541-F586 WeakPolarHBondContact CA-O 3.41Å; Q541-M587 HydrophobicContact CG-CB 3.87Å; Q541-M587 HydrophobicContact CG-CG 3.74Å; Q541-L618 WeakPolarHBondContact O-CA 3.12Å; Q541-I619 HydrophobicContact CB-CB 4.32Å; Q541-I619 PolarHBondContact N-O 2.79Å; Q541-I619 PolarHBondContact O-N 2.92Å; Q541-Y621 HydrophobicContact CG-CE2 4.44Å
542	A	98.4	Very high	96.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	106.5	163.9	0	0	0	0	0	108.6	V544 L558 L568 W584 F586	A542-V544 HydrophobicContact CB-CG1 4.27Å; A542-V544 PolarHBondContact O-N 2.95Å; A542-L558 HydrophobicContact CB-CD2 4.46Å; A542-L568 HydrophobicContact CB-CD1 3.56Å; A542-W584 VanDerWaalsContact O-O 3.11Å; A542-F586 PolarHBondContact N-O 2.86Å; A542-F586 PolarHBondContact O-N 3.17Å
543	K	98	Very high	96.9	Very high	38 Å²	38	19.6 Å²	19.6	17%	0.165	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	103.4	179.6	-169.8	-173.8	73	-161.5	0	108.7	E493 A583 W584 W616 S617 I619	E493-K543 IonicContact OE1-NZ 2.89Å; E493-K543 PolarHBondContact OE1-NZ 3.49Å; E493-K543 IonicContact OE2-NZ 2.7Å; K543-A583 HydrophobicContact CD-CB 4.39Å; K543-A583 HydrophobicContact CG-CB 4.22Å; K543-A583 VanDerWaalsContact CG-O 3.25Å; K543-A583 WeakPolarHBondContact CG-O 3.41Å; K543-W584 WeakPolarHBondContact CA-O 3.31Å; K543-W616 CarbonylContact O-C 3.57Å; K543-W616 WeakPolarHBondContact O-CA 3.28Å; K543-S617 WeakPolarHBondContact CE-OG 3.39Å; K543-S617 PolarHBondContact N-O 2.63Å; K543-S617 PolarHBondContact NZ-OG 3.14Å; K543-S617 PolarHBondContact O-N 3.24Å; K543-I619 HydrophobicContact CD-CD1 4.37Å
544	V	97.3	Very high	97	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	147.8	-168.9	-55.3	0	0	0	0	113.2	A542 L546 L556 A583 W584 F586 L602 W616	A542-V544 HydrophobicContact CB-CG1 4.27Å; A542-V544 PolarHBondContact O-N 2.95Å; V544-L546 HydrophobicContact CB-CD1 4.07Å; V544-L546 HydrophobicContact CB-CG 4.48Å; V544-L546 HydrophobicContact CG2-CD1 3.58Å; V544-L546 HydrophobicContact CG2-CG 4.35Å; V544-L556 HydrophobicContact CG2-CD1 4.29Å; V544-A583 CarbonylContact O-C 3.54Å; V544-A583 VanDerWaalsContact O-CA 3.31Å; V544-A583 WeakPolarHBondContact O-CA 3.17Å; V544-A583 PolarHBondContact O-N 3.04Å; V544-W584 PolarHBondContact N-O 3.45Å; V544-W584 PolarHBondContact O-N 2.85Å; V544-F586 HydrophobicContact CG2-CD2 3.58Å; V544-F586 HydrophobicContact CG2-CE2 3.42Å; V544-F586 VanDerWaalsContact CG2-CE2 3.42Å; V544-L602 HydrophobicContact CG1-CD2 3.99Å; V544-W616 HydrophobicContact CB-CB 4.35Å; V544-W616 HydrophobicContact CG1-CB 3.9Å
545	T	97.1	Very high	97	Very high	26 Å²	26	17.6 Å²	17.6	16%	0.16	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	114	169.2	-58.7	0	0	0	0	110.2	F581 A583 H614 D615	T545-F581 CarbonylContact C-O 3.39Å; T545-F581 WeakPolarHBondContact CA-O 3.33Å; T545-A583 PolarHBondContact OG1-N 3.4Å; T545-A583 VanDerWaalsContact OG1-N 3.07Å; T545-H614 HydrophobicContact CG2-CB 3.96Å; T545-H614 PolarHBondContact O-N 2.91Å; T545-D615 PolarHBondContact N-O 2.9Å
546	L	95.8	Very high	97.1	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.01	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	136	-169.1	-74.9	156.2	0	0	0	110.1	V544 I554 L556 G580 F581 V604 V611 S612 I613	V544-L546 HydrophobicContact CB-CD1 4.07Å; V544-L546 HydrophobicContact CB-CG 4.48Å; V544-L546 HydrophobicContact CG2-CD1 3.58Å; V544-L546 HydrophobicContact CG2-CG 4.35Å; L546-I554 HydrophobicContact CB-CD1 4.32Å; L546-I554 HydrophobicContact CD1-CG2 4.27Å; L546-L556 HydrophobicContact CD1-CD1 3.99Å; L546-L556 HydrophobicContact CD1-CD2 3.92Å; L546-G580 CarbonylContact O-C 3.52Å; L546-G580 WeakPolarHBondContact O-CA 3.47Å; L546-F581 HydrophobicContact CB-CB 4.44Å; L546-F581 HydrophobicContact CD1-CD2 4.38Å; L546-F581 PolarHBondContact N-O 3.15Å; L546-F581 PolarHBondContact O-N 3.09Å; L546-F581 VanDerWaalsContact O-O 3.09Å; L546-V604 HydrophobicContact CD2-CG1 4.07Å; L546-V611 HydrophobicContact CD2-CG1 3.72Å; L546-S612 WeakPolarHBondContact CA-O 3.45Å; L546-I613 HydrophobicContact CD2-CB 3.58Å; L546-I613 HydrophobicContact CD2-CD1 4.09Å; L546-I613 HydrophobicContact CD2-CG1 3.9Å; L546-I613 HydrophobicContact CG-CB 4.49Å; L546-I613 HydrophobicContact CG-CG1 4.34Å
547	S	95.1	Very high	97.2	Very high	43 Å²	43	17.1 Å²	17.1	30%	0.301	10%	0.097	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	141.9	167.4	61.1	0	0	0	0	110.7	V611 S612 H614	S547-V611 WeakPolarHBondContact O-CA 3.08Å; S547-S612 PolarHBondContact N-O 3.4Å; S547-S612 PolarHBondContact O-N 2.99Å; S547-H614 WeakPolarHBondContact CB-NE2 3.44Å; S547-H614 PolarHBondContact OG-NE2 3.3Å
548	S	94.8	Very high	97.3	Very high	8 Å²	8	17.2 Å²	17.2	6%	0.056	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	154.3	174.2	178.5	0	0	0	0	109.9	Q550 A609 V610	S548-Q550 WeakPolarHBondContact CB-O 3.26Å; S548-Q550 PolarHBondContact O-N 3.25Å; S548-Q550 PolarHBondContact OG-N 3.44Å; S548-Q550 PolarHBondContact OG-O 2.85Å; S548-A609 WeakPolarHBondContact OG-CB 3.36Å; S548-V610 WeakPolarHBondContact CA-O 3.42Å; S548-V610 PolarHBondContact OG-O 2.83Å
549	A	92.3	Very high	97.3	Very high	73 Å²	73	17.9 Å²	17.9	60%	0.603	10%	0.101	S	C	*	.	S	Bend	trans	-70.6	-9.2	167.3	0	0	0	0	0	113.1	A609	A549-A609 HydrophobicContact CB-CB 4.33Å
550	Q	95.5	Very high	97.3	Very high	45 Å²	45	18 Å²	18	21%	0.21	10%	0.103	C	C	.	.			trans	-155.4	108.7	171.7	-162	-176.4	-17.5	0	0	109.1	S548 G552 E553 D577 A609	S548-Q550 WeakPolarHBondContact CB-O 3.26Å; S548-Q550 PolarHBondContact O-N 3.25Å; S548-Q550 PolarHBondContact OG-N 3.44Å; S548-Q550 PolarHBondContact OG-O 2.85Å; Q550-G552 VanDerWaalsContact C-N 3.3Å; Q550-G552 PolarHBondContact O-N 2.95Å; Q550-E553 HydrophobicContact CB-CB 4.37Å; Q550-E553 HydrophobicContact CB-CG 3.98Å; Q550-E553 HydrophobicContact CG-CG 4.03Å; Q550-E553 PolarHBondContact O-N 3.23Å; Q550-D577 CarbonylContact C-O 3.6Å; Q550-A609 HydrophobicContact CB-CB 3.58Å
551	R	96.8	Very high	97.3	Very high	17 Å²	17	20.4 Å²	20.4	6%	0.064	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-61.6	-36.7	-175.7	-177.5	172.3	64.1	-143.6	-10.3	112.6	K303 E553 I554 D575 D577 G580 F581	K303-R551 PolarHBondContact O-NH2 3.02Å; R551-E553 PolarHBondContact O-N 3.17Å; R551-E553 VanDerWaalsContact O-N 3.13Å; R551-I554 HydrophobicContact CG-CD1 4.35Å; R551-I554 WeakPolarHBondContact O-CB 3.37Å; R551-I554 VanDerWaalsContact O-CG1 3.32Å; R551-I554 WeakPolarHBondContact O-CG1 3.35Å; R551-I554 PolarHBondContact O-N 2.9Å; R551-D575 VanDerWaalsContact CG-OD2 3.32Å; R551-D575 WeakPolarHBondContact CG-OD2 3.27Å; R551-D575 IonicContact CZ-OD1 3.49Å; R551-D575 IonicContact CZ-OD2 2.66Å; R551-D575 IonicContact NE-OD1 2.77Å; R551-D575 PolarHBondContact NE-OD1 2.79Å; R551-D575 VanDerWaalsContact NE-OD1 3.14Å; R551-D575 IonicContact NE-OD2 3.91Å; R551-D575 PolarHBondContact NE-OD2 3Å; R551-D575 IonicContact NH2-OD1 3.09Å; R551-D575 PolarHBondContact NH2-OD1 3.06Å; R551-D575 IonicContact NH2-OD2 2.93Å; R551-D577 HydrophobicContact CB-CB 4.4Å; R551-D577 WeakPolarHBondContact CB-O 3.21Å; R551-D577 VanDerWaalsContact CZ-CB 3.48Å; R551-D577 IonicContact CZ-OD2 3.39Å; R551-D577 PolarHBondContact N-O 2.83Å; R551-D577 IonicContact NH1-OD2 3.61Å; R551-D577 PolarHBondContact NH1-OD2 3.09Å; R551-D577 IonicContact NH2-OD2 3.14Å; R551-D577 PolarHBondContact NH2-OD2 3.36Å; R551-G580 WeakPolarHBondContact CD-O 3.37Å; R551-G580 PolarHBondContact NH1-O 2.78Å; R551-F581 HydrophobicContact CG-CD2 4.09Å; R551-F581 HydrophobicContact CG-CE2 3.43Å; R551-F581 VanDerWaalsContact CG-CE2 3.43Å; R551-F581 HydrophobicContact CG-CZ 3.68Å
552	G	97.5	Very high	97.2	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.01	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-65	-10.7	176.7	0	0	0	0	0	116.2	Q550 K571 R572 D575	Q550-G552 VanDerWaalsContact C-N 3.3Å; Q550-G552 PolarHBondContact O-N 2.95Å; G552-K571 WeakPolarHBondContact O-CG 3.43Å; G552-R572 VanDerWaalsContact CA-O 3.22Å; G552-R572 WeakPolarHBondContact CA-O 3.36Å; G552-R572 PolarHBondContact O-N 2.98Å; G552-R572 VanDerWaalsContact O-N 3.11Å; G552-D575 VanDerWaalsContact CA-O 3.31Å; G552-D575 WeakPolarHBondContact CA-O 3.37Å; G552-D575 PolarHBondContact N-O 3.37Å
553	E	97	Very high	97.2	Very high	7 Å²	7	24.8 Å²	24.8	3%	0.033	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-94.3	5.9	174.1	-65.2	-72.9	168.8	0	0	112.8	Q550 R551 K571 G607 N608 A609	Q550-E553 HydrophobicContact CB-CB 4.37Å; Q550-E553 HydrophobicContact CB-CG 3.98Å; Q550-E553 HydrophobicContact CG-CG 4.03Å; Q550-E553 PolarHBondContact O-N 3.23Å; R551-E553 PolarHBondContact O-N 3.17Å; R551-E553 VanDerWaalsContact O-N 3.13Å; E553-K571 WeakPolarHBondContact OE1-CE 3.35Å; E553-K571 IonicContact OE1-NZ 2.65Å; E553-K571 PolarHBondContact OE1-NZ 3.21Å; E553-K571 WeakPolarHBondContact OE2-CE 3.15Å; E553-K571 IonicContact OE2-NZ 2.69Å; E553-K571 PolarHBondContact OE2-NZ 2.94Å; E553-G607 PolarHBondContact O-N 3.1Å; E553-G607 VanDerWaalsContact OE2-CA 3.29Å; E553-G607 WeakPolarHBondContact OE2-CA 3.31Å; E553-N608 VanDerWaalsContact CD-N 3.34Å; E553-N608 HydrophobicContact CG-CB 4.18Å; E553-N608 PolarHBondContact OE1-ND2 2.9Å; E553-N608 PolarHBondContact OE2-N 2.83Å; E553-A609 HydrophobicContact CB-CB 3.98Å; E553-A609 HydrophobicContact CG-CB 4.21Å
554	I	97.8	Very high	97.2	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	131.6	170.6	-55.1	172.9	0	0	0	108.9	L546 R551 L556 L569 F581 V611	L546-I554 HydrophobicContact CB-CD1 4.32Å; L546-I554 HydrophobicContact CD1-CG2 4.27Å; R551-I554 HydrophobicContact CG-CD1 4.35Å; R551-I554 WeakPolarHBondContact O-CB 3.37Å; R551-I554 VanDerWaalsContact O-CG1 3.32Å; R551-I554 WeakPolarHBondContact O-CG1 3.35Å; R551-I554 PolarHBondContact O-N 2.9Å; I554-L556 HydrophobicContact CG2-CD2 3.97Å; I554-L556 HydrophobicContact CG2-CG 4.06Å; I554-L569 HydrophobicContact CB-CD2 4.14Å; I554-L569 HydrophobicContact CG2-CD2 4.06Å; I554-F581 HydrophobicContact CD1-CD2 4.04Å; I554-F581 HydrophobicContact CD1-CE2 4.06Å; I554-V611 HydrophobicContact CD1-CG1 4.27Å; I554-V611 HydrophobicContact CG1-CG1 4.04Å; I554-V611 HydrophobicContact CG1-CG2 3.79Å
555	E	98.2	Very high	97.3	Very high	22 Å²	22	27.5 Å²	27.5	10%	0.103	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	138.9	166.3	-67.3	163.7	-104.3	0	0	109.9	W557 L569 K571 K605	E555-W557 HydrophobicContact CB-CH2 3.42Å; E555-W557 VanDerWaalsContact CB-CH2 3.42Å; E555-W557 HydrophobicContact CB-CZ2 4.28Å; E555-W557 HydrophobicContact CB-CZ3 3.58Å; E555-W557 HydrophobicContact CG-CH2 4.2Å; E555-W557 VanDerWaalsContact OE2-CH2 3.29Å; E555-W557 WeakPolarHBondContact OE2-CH2 3.16Å; E555-L569 WeakPolarHBondContact CA-O 3.13Å; E555-K571 HydrophobicContact CG-CB 3.83Å; E555-K605 HydrophobicContact CB-CB 4.22Å; E555-K605 HydrophobicContact CB-CD 4.3Å; E555-K605 PolarHBondContact N-O 3.33Å; E555-K605 PolarHBondContact O-N 2.94Å; E555-K605 WeakPolarHBondContact OE1-CD 3.42Å; E555-K605 VanDerWaalsContact OE1-CE 3.3Å; E555-K605 WeakPolarHBondContact OE1-CE 3.47Å; E555-K605 IonicContact OE1-NZ 2.68Å; E555-K605 PolarHBondContact OE1-NZ 3.36Å; E555-K605 IonicContact OE2-NZ 2.83Å; E555-K605 PolarHBondContact OE2-NZ 3.47Å
556	L	98.7	Very high	97.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	133.4	-174.2	-58.7	176.1	0	0	0	111.5	V544 L546 I554 Q567 L568 L569 F586 V604	V544-L556 HydrophobicContact CG2-CD1 4.29Å; L546-L556 HydrophobicContact CD1-CD1 3.99Å; L546-L556 HydrophobicContact CD1-CD2 3.92Å; I554-L556 HydrophobicContact CG2-CD2 3.97Å; I554-L556 HydrophobicContact CG2-CG 4.06Å; L556-Q567 CarbonylContact O-C 3.51Å; L556-L568 HydrophobicContact CB-CB 3.97Å; L556-L568 PolarHBondContact O-N 3.09Å; L556-L569 HydrophobicContact CB-CB 3.88Å; L556-L569 HydrophobicContact CD1-CB 4.04Å; L556-L569 HydrophobicContact CD1-CD2 4.27Å; L556-L569 HydrophobicContact CG-CB 3.94Å; L556-L569 HydrophobicContact CG-CD2 4.36Å; L556-L569 PolarHBondContact N-O 3.02Å; L556-L569 PolarHBondContact O-N 2.8Å; L556-L569 VanDerWaalsContact O-N 3.15Å; L556-F586 HydrophobicContact CD1-CD2 3.84Å; L556-F586 HydrophobicContact CD1-CE1 4.4Å; L556-F586 HydrophobicContact CD1-CE2 3.52Å; L556-F586 HydrophobicContact CD1-CG 4.41Å; L556-F586 HydrophobicContact CD1-CZ 3.83Å; L556-V604 HydrophobicContact CD2-CB 4.16Å; L556-V604 HydrophobicContact CD2-CG1 3.86Å; L556-V604 HydrophobicContact CD2-CG2 3.8Å
557	W	98.7	Very high	97.5	Very high	56 Å²	56	28.4 Å²	28.4	21%	0.212	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	143	166.9	-58.4	-100	0	0	0	111	E555 I565 S566 Q567 T603 K605	E555-W557 HydrophobicContact CB-CH2 3.42Å; E555-W557 VanDerWaalsContact CB-CH2 3.42Å; E555-W557 HydrophobicContact CB-CZ2 4.28Å; E555-W557 HydrophobicContact CB-CZ3 3.58Å; E555-W557 HydrophobicContact CG-CH2 4.2Å; E555-W557 VanDerWaalsContact OE2-CH2 3.29Å; E555-W557 WeakPolarHBondContact OE2-CH2 3.16Å; W557-I565 HydrophobicContact CB-CG2 4.19Å; W557-I565 HydrophobicContact CG-CG2 4.42Å; W557-S566 CarbonylContact C-O 3.47Å; W557-S566 VanDerWaalsContact CA-O 3.23Å; W557-S566 WeakPolarHBondContact CA-O 3.36Å; W557-Q567 HydrophobicContact CG-CB 4.45Å; W557-Q567 VanDerWaalsContact NE1-CD 3.29Å; W557-T603 HydrophobicContact CE3-CG2 4.44Å; W557-T603 PolarHBondContact N-O 3.1Å; W557-T603 PolarHBondContact O-N 2.79Å; W557-K605 HydrophobicContact CH2-CB 4.25Å; W557-K605 HydrophobicContact CH2-CD 3.66Å; W557-K605 HydrophobicContact CZ3-CB 3.65Å; W557-K605 HydrophobicContact CZ3-CD 3.92Å; W557-K605 HydrophobicContact CZ3-CG 4.48Å
558	L	98.8	Very high	97.7	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	129.8	171.3	178.7	67.7	0	0	0	109.5	V540 A542 S566 L568 Y591 W600 W616 L618	V540-L558 HydrophobicContact CG1-CD2 3.84Å; A542-L558 HydrophobicContact CB-CD2 4.46Å; L558-S566 PolarHBondContact N-O 2.62Å; L558-S566 PolarHBondContact O-N 3.14Å; L558-L568 HydrophobicContact CB-CD1 3.69Å; L558-L568 HydrophobicContact CB-CG 4.05Å; L558-L568 HydrophobicContact CD2-CD1 4.4Å; L558-Y591 VanDerWaalsContact CB-OH 3.29Å; L558-Y591 WeakPolarHBondContact CB-OH 3.5Å; L558-Y591 HydrophobicContact CD2-CE2 4.02Å; L558-Y591 WeakPolarHBondContact CG-OH 3.26Å; L558-Y591 PolarHBondContact O-OH 2.91Å; L558-W600 HydrophobicContact CD1-CB 4.43Å; L558-W600 HydrophobicContact CD1-CE3 3.93Å; L558-W600 HydrophobicContact CD2-CE3 3.84Å; L558-W600 HydrophobicContact CD2-CZ3 3.89Å; L558-W600 HydrophobicContact CG-CE3 3.8Å; L558-W600 HydrophobicContact CG-CZ3 4.13Å; L558-W616 HydrophobicContact CD1-CZ3 4.43Å; L558-L618 HydrophobicContact CD1-CD1 4.46Å; L558-L618 HydrophobicContact CD2-CD1 3.8Å
559	T	98.7	Very high	97.8	Very high	15 Å²	15	26.1 Å²	26.1	9%	0.092	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	130	172.6	-44.7	0	0	0	0	110.3	T564 I565 W600 K601	T559-T564 CarbonylContact C-O 3.53Å; T559-T564 VanDerWaalsContact CA-O 3.26Å; T559-T564 WeakPolarHBondContact CA-O 3.4Å; T559-I565 HydrophobicContact CG2-CG1 3.96Å; T559-W600 WeakPolarHBondContact O-CA 3.45Å; T559-K601 PolarHBondContact N-O 3.49Å; T559-K601 PolarHBondContact O-N 3.04Å; T559-K601 VanDerWaalsContact OG1-CE 3.3Å; T559-K601 WeakPolarHBondContact OG1-CE 3.06Å; T559-K601 PolarHBondContact OG1-NZ 3.19Å
560	S	98.7	Very high	98.1	Very high	4 Å²	4	23.9 Å²	23.9	3%	0.028	14%	0.144	C	C	.	.			trans	-80.5	163.7	174.2	77.1	0	0	0	0	112.7	A562 G563 T564 E594	S560-A562 PolarHBondContact O-N 3.31Å; S560-A562 PolarHBondContact OG-N 3.24Å; S560-G563 PolarHBondContact O-N 2.89Å; S560-T564 PolarHBondContact N-O 3.23Å; S560-T564 WeakPolarHBondContact OG-CB 3.49Å; S560-T564 PolarHBondContact OG-N 2.7Å; S560-E594 VanDerWaalsContact CB-OE2 3.26Å; S560-E594 WeakPolarHBondContact CB-OE2 3.45Å; S560-E594 PolarHBondContact OG-OE2 2.96Å
561	P	98.5	Very high	98.2	Very high	51 Å²	51	25 Å²	25	33%	0.331	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-26.4	173.5	-26	35.6	0	0	0	113.9	G563 N597 W600	P561-G563 VanDerWaalsContact C-N 3.3Å; P561-N597 WeakPolarHBondContact CB-O 3.25Å; P561-N597 WeakPolarHBondContact CG-O 3.16Å; P561-W600 VanDerWaalsContact CD-CE2 3.41Å; P561-W600 HydrophobicContact CG-CD2 4.44Å; P561-W600 HydrophobicContact CG-CG 4.32Å
562	A	98.1	Very high	98.2	Very high	61 Å²	61	24.2 Å²	24.2	50%	0.504	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-3.8	175.5	0	0	0	0	0	113.8	S560 E594	S560-A562 PolarHBondContact O-N 3.31Å; S560-A562 PolarHBondContact OG-N 3.24Å; A562-E594 HydrophobicContact CB-CG 4.44Å
563	G	98.1	Very high	98.2	Very high	49 Å²	49	27.2 Å²	27.2	51%	0.505	16%	0.164	S	C	.	.			trans	93.7	2.1	176.6	0	0	0	0	0	115.6	S560 P561 I565	S560-G563 PolarHBondContact O-N 2.89Å; P561-G563 VanDerWaalsContact C-N 3.3Å; G563-I565 PolarHBondContact O-N 2.64Å
564	T	98.7	Very high	98.2	Very high	5 Å²	5	31.9 Å²	31.9	3%	0.031	18%	0.184	C	C	.	.			trans	-65.5	130.8	174.2	-57.4	0	0	0	0	110	N456 G457 T559 S560 H590 Y591 E594	N456-T564 WeakPolarHBondContact CA-OG1 3.35Å; N456-T564 HydrophobicContact CB-CG2 3.92Å; G457-T564 PolarHBondContact N-OG1 2.69Å; T559-T564 CarbonylContact C-O 3.53Å; T559-T564 VanDerWaalsContact CA-O 3.26Å; T559-T564 WeakPolarHBondContact CA-O 3.4Å; S560-T564 PolarHBondContact N-O 3.23Å; S560-T564 WeakPolarHBondContact OG-CB 3.49Å; S560-T564 PolarHBondContact OG-N 2.7Å; T564-H590 HydrophobicContact CG2-CB 4.32Å; T564-Y591 HydrophobicContact CG2-CD1 3.75Å; T564-Y591 HydrophobicContact CG2-CE1 3.83Å; T564-E594 WeakPolarHBondContact CB-OE1 3.43Å; T564-E594 PolarHBondContact OG1-OE1 3.43Å; T564-E594 PolarHBondContact OG1-OE2 3.26Å
565	I	98.3	Very high	98.2	Very high	90 Å²	90	31.9 Å²	31.9	46%	0.462	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	121.6	178.5	-55.9	173.7	0	0	0	108.2	H454 W557 T559 G563	H454-I565 PolarHBondContact NE2-O 2.91Å; W557-I565 HydrophobicContact CB-CG2 4.19Å; W557-I565 HydrophobicContact CG-CG2 4.42Å; T559-I565 HydrophobicContact CG2-CG1 3.96Å; G563-I565 PolarHBondContact O-N 2.64Å
566	S	98.6	Very high	98.1	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	133.7	175.1	-162.5	0	0	0	0	109.5	S376 W557 L558 L568 S588 H590 Y591	S376-S566 WeakPolarHBondContact CB-OG 3.49Å; W557-S566 CarbonylContact C-O 3.47Å; W557-S566 VanDerWaalsContact CA-O 3.23Å; W557-S566 WeakPolarHBondContact CA-O 3.36Å; L558-S566 PolarHBondContact N-O 2.62Å; L558-S566 PolarHBondContact O-N 3.14Å; S566-L568 PolarHBondContact O-N 2.93Å; S566-S588 WeakPolarHBondContact CB-OG 3.39Å; S566-S588 PolarHBondContact OG-OG 3.44Å; S566-H590 PolarHBondContact OG-ND1 2.83Å; S566-Y591 VanDerWaalsContact CB-OH 3.26Å; S566-Y591 WeakPolarHBondContact CB-OH 3.36Å
567	Q	98.6	Very high	97.8	Very high	47 Å²	47	39.9 Å²	39.9	22%	0.22	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	108.4	174.2	-174.9	154.8	12	0	0	109.1	H464 L556 W557 L569	H464-Q567 PolarHBondContact NE2-N 2.83Å; L556-Q567 CarbonylContact O-C 3.51Å; W557-Q567 HydrophobicContact CG-CB 4.45Å; W557-Q567 VanDerWaalsContact NE1-CD 3.29Å; Q567-L569 WeakPolarHBondContact CG-O 3.29Å; Q567-L569 PolarHBondContact NE2-O 3.46Å; Q567-L569 VanDerWaalsContact NE2-O 3.1Å
568	L	98.7	Very high	97.5	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-27.5	179.9	-62.8	-171.8	0	0	0	112.2	N346 S376 A542 L556 L558 S566 F586	N346-L568 PolarHBondContact ND2-O 3.03Å; S376-L568 WeakPolarHBondContact OG-CD2 3.5Å; A542-L568 HydrophobicContact CB-CD1 3.56Å; L556-L568 HydrophobicContact CB-CB 3.97Å; L556-L568 PolarHBondContact O-N 3.09Å; L558-L568 HydrophobicContact CB-CD1 3.69Å; L558-L568 HydrophobicContact CB-CG 4.05Å; L558-L568 HydrophobicContact CD2-CD1 4.4Å; S566-L568 PolarHBondContact O-N 2.93Å; L568-F586 HydrophobicContact CB-CB 3.99Å; L568-F586 HydrophobicContact CB-CD1 4.42Å; L568-F586 HydrophobicContact CB-CG 4.33Å; L568-F586 HydrophobicContact CD1-CB 4.06Å; L568-F586 HydrophobicContact CG-CB 4.42Å; L568-F586 WeakPolarHBondContact O-CD1 3.29Å
569	L	98.7	Very high	96.4	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	125.7	174.3	-178.5	60.8	0	0	0	110.4	N344 I554 E555 L556 Q567 F581 F586	N344-L569 HydrophobicContact CB-CD1 4.32Å; I554-L569 HydrophobicContact CB-CD2 4.14Å; I554-L569 HydrophobicContact CG2-CD2 4.06Å; E555-L569 WeakPolarHBondContact CA-O 3.13Å; L556-L569 HydrophobicContact CB-CB 3.88Å; L556-L569 HydrophobicContact CD1-CB 4.04Å; L556-L569 HydrophobicContact CD1-CD2 4.27Å; L556-L569 HydrophobicContact CG-CB 3.94Å; L556-L569 HydrophobicContact CG-CD2 4.36Å; L556-L569 PolarHBondContact N-O 3.02Å; L556-L569 PolarHBondContact O-N 2.8Å; L556-L569 VanDerWaalsContact O-N 3.15Å; Q567-L569 WeakPolarHBondContact CG-O 3.29Å; Q567-L569 PolarHBondContact NE2-O 3.46Å; Q567-L569 VanDerWaalsContact NE2-O 3.1Å; L569-F581 HydrophobicContact CD2-CE2 3.5Å; L569-F581 VanDerWaalsContact CD2-CE2 3.5Å; L569-F581 HydrophobicContact CD2-CZ 3.67Å; L569-F586 HydrophobicContact CB-CE1 4Å; L569-F586 HydrophobicContact CB-CZ 4.43Å; L569-F586 HydrophobicContact CD1-CE1 4.26Å; L569-F586 HydrophobicContact CD2-CE1 4.36Å; L569-F586 HydrophobicContact CD2-CZ 4.13Å; L569-F586 HydrophobicContact CG-CE1 4.44Å
570	S	97.7	Very high	96.1	Very high	27 Å²	27	43.3 Å²	43.3	19%	0.189	26%	0.258	C	S	.	.			trans	-86.8	157.9	165.6	52.5	0	0	0	0	111.5	N344 R572	N344-S570 PolarHBondContact ND2-N 3.33Å; N344-S570 VanDerWaalsContact ND2-N 3.18Å; N344-S570 PolarHBondContact ND2-OG 3.01Å; S570-R572 PolarHBondContact O-N 2.93Å
571	K	97.1	Very high	96	Very high	67 Å²	67	43.4 Å²	43.4	29%	0.291	26%	0.258	S	S	.	.			trans	-61.7	126.8	173.8	-175	-179	171.3	148.7	0	109	G552 E553 E555 P573	G552-K571 WeakPolarHBondContact O-CG 3.43Å; E553-K571 WeakPolarHBondContact OE1-CE 3.35Å; E553-K571 IonicContact OE1-NZ 2.65Å; E553-K571 PolarHBondContact OE1-NZ 3.21Å; E553-K571 WeakPolarHBondContact OE2-CE 3.15Å; E553-K571 IonicContact OE2-NZ 2.69Å; E553-K571 PolarHBondContact OE2-NZ 2.94Å; E555-K571 HydrophobicContact CG-CB 3.83Å; K571-P573 WeakPolarHBondContact O-CD 3.4Å
572	R	97.8	Very high	95.8	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.008	27%	0.271	C	S	.	.			trans	-113.2	92.8	178	-56	-159.8	-56	166.3	1.7	110.1	K303 T304 D343 G552 S570 K574 D575	K303-R572 PolarHBondContact O-NH2 2.98Å; T304-R572 VanDerWaalsContact O-CZ 3.29Å; T304-R572 PolarHBondContact O-NH1 2.8Å; T304-R572 PolarHBondContact O-NH2 2.82Å; D343-R572 VanDerWaalsContact OD1-CD 3.25Å; D343-R572 WeakPolarHBondContact OD1-CD 3.12Å; D343-R572 IonicContact OD1-CZ 3.69Å; D343-R572 IonicContact OD1-NE 2.73Å; D343-R572 IonicContact OD1-NH1 2.96Å; D343-R572 PolarHBondContact OD1-NH1 3.37Å; D343-R572 IonicContact OD2-NH1 3.48Å; G552-R572 VanDerWaalsContact CA-O 3.22Å; G552-R572 WeakPolarHBondContact CA-O 3.36Å; G552-R572 PolarHBondContact O-N 2.98Å; G552-R572 VanDerWaalsContact O-N 3.11Å; S570-R572 PolarHBondContact O-N 2.93Å; R572-K574 PolarHBondContact O-N 2.73Å; R572-D575 HydrophobicContact CB-CB 3.98Å; R572-D575 IonicContact CZ-OD2 3.17Å; R572-D575 IonicContact NE-OD2 3.63Å; R572-D575 IonicContact NH2-OD2 3.74Å; R572-D575 PolarHBondContact NH2-OD2 3.26Å; R572-D575 WeakPolarHBondContact O-CB 3.44Å; R572-D575 PolarHBondContact O-N 2.74Å
573	P	96.6	Very high	95.7	Very high	64 Å²	64	45 Å²	45	42%	0.416	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-16.1	-167.1	-23.9	36.3	0	0	0	115.7	K571	K571-P573 WeakPolarHBondContact O-CD 3.4Å
574	K	96.9	Very high	95.6	Very high	104 Å²	104	43.1 Å²	43.1	45%	0.452	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-18.3	176	-62.8	173.9	173.1	-174.2	0	113.4	D301 G302 S341 R572 I576	D301-K574 WeakPolarHBondContact O-CD 3.37Å; D301-K574 PolarHBondContact O-NZ 3.5Å; G302-K574 WeakPolarHBondContact O-CB 3.3Å; S341-K574 VanDerWaalsContact CB-NZ 3.27Å; S341-K574 PolarHBondContact OG-NZ 2.87Å; R572-K574 PolarHBondContact O-N 2.73Å; K574-I576 PolarHBondContact O-N 2.86Å
575	D	97.3	Very high	95.6	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	24%	0.236	C	C	.	.			trans	-77.7	87.4	-177.3	-172.8	3.8	0	0	0	111	G302 R551 G552 R572 D577	G302-D575 WeakPolarHBondContact O-CB 3.35Å; G302-D575 PolarHBondContact O-N 3.45Å; G302-D575 VanDerWaalsContact O-N 3.15Å; R551-D575 VanDerWaalsContact CG-OD2 3.32Å; R551-D575 WeakPolarHBondContact CG-OD2 3.27Å; R551-D575 IonicContact CZ-OD1 3.49Å; R551-D575 IonicContact CZ-OD2 2.66Å; R551-D575 IonicContact NE-OD1 2.77Å; R551-D575 PolarHBondContact NE-OD1 2.79Å; R551-D575 VanDerWaalsContact NE-OD1 3.14Å; R551-D575 IonicContact NE-OD2 3.91Å; R551-D575 PolarHBondContact NE-OD2 3Å; R551-D575 IonicContact NH2-OD1 3.09Å; R551-D575 PolarHBondContact NH2-OD1 3.06Å; R551-D575 IonicContact NH2-OD2 2.93Å; G552-D575 VanDerWaalsContact CA-O 3.31Å; G552-D575 WeakPolarHBondContact CA-O 3.37Å; G552-D575 PolarHBondContact N-O 3.37Å; R572-D575 HydrophobicContact CB-CB 3.98Å; R572-D575 IonicContact CZ-OD2 3.17Å; R572-D575 IonicContact NE-OD2 3.63Å; R572-D575 IonicContact NH2-OD2 3.74Å; R572-D575 PolarHBondContact NH2-OD2 3.26Å; R572-D575 WeakPolarHBondContact O-CB 3.44Å; R572-D575 PolarHBondContact O-N 2.74Å; D575-D577 VanDerWaalsContact C-N 3.35Å; D575-D577 WeakPolarHBondContact OD1-CB 3.45Å; D575-D577 PolarHBondContact OD1-N 3.42Å
576	I	96.2	Very high	95.6	Very high	130 Å²	130	39.6 Å²	39.6	67%	0.667	21%	0.214	S	C	*	.			trans	-93	14.1	179.6	63.5	168.2	0	0	0	113.9	K574	K574-I576 PolarHBondContact O-N 2.86Å
577	D	92.9	Very high	95.6	Very high	61 Å²	61	39.7 Å²	39.7	33%	0.326	22%	0.215	S	C	.	.			trans	-69.7	148.3	-179	-164.2	-12.4	0	0	0	111.9	Q550 R551 D575 A579	Q550-D577 CarbonylContact C-O 3.6Å; R551-D577 HydrophobicContact CB-CB 4.4Å; R551-D577 WeakPolarHBondContact CB-O 3.21Å; R551-D577 VanDerWaalsContact CZ-CB 3.48Å; R551-D577 IonicContact CZ-OD2 3.39Å; R551-D577 PolarHBondContact N-O 2.83Å; R551-D577 IonicContact NH1-OD2 3.61Å; R551-D577 PolarHBondContact NH1-OD2 3.09Å; R551-D577 IonicContact NH2-OD2 3.14Å; R551-D577 PolarHBondContact NH2-OD2 3.36Å; D575-D577 VanDerWaalsContact C-N 3.35Å; D575-D577 WeakPolarHBondContact OD1-CB 3.45Å; D575-D577 PolarHBondContact OD1-N 3.42Å; D577-A579 WeakPolarHBondContact OD1-CB 3.4Å; D577-A579 PolarHBondContact OD1-N 3.05Å
578	V	92	Very high	95.6	Very high	102 Å²	102	37.5 Å²	37.5	62%	0.618	20%	0.204	S	C	*	.	S	Bend	trans	-100.7	-10.1	177.2	-61.4	0	0	0	0	113	G580	V578-G580 PolarHBondContact O-N 3.49Å
579	A	77.4	Confident	95.6	Very high	36 Å²	36	37.5 Å²	37.5	30%	0.298	20%	0.204	S	C	.	.	S	Bend	trans	-66.6	-24.6	-178.2	0	0	0	0	0	113.5	D577	D577-A579 WeakPolarHBondContact OD1-CB 3.4Å; D577-A579 PolarHBondContact OD1-N 3.05Å
580	G	90.6	Very high	95.6	Very high	6 Å²	6	37.4 Å²	37.4	6%	0.062	20%	0.204	C	C	.	.			trans	63.3	-140.1	-175.1	0	0	0	0	0	112.3	L546 R551 V578	L546-G580 CarbonylContact O-C 3.52Å; L546-G580 WeakPolarHBondContact O-CA 3.47Å; R551-G580 WeakPolarHBondContact CD-O 3.37Å; R551-G580 PolarHBondContact NH1-O 2.78Å; V578-G580 PolarHBondContact O-N 3.49Å
581	F	96.8	Very high	95.7	Very high	6 Å²	6	36.1 Å²	36.1	3%	0.026	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	134.5	178.4	-63.4	-81.9	0	0	0	109.9	V305 T545 L546 R551 I554 L569 W584 F586	V305-F581 HydrophobicContact CG1-CD1 4.23Å; V305-F581 HydrophobicContact CG1-CE1 3.9Å; V305-F581 HydrophobicContact CG2-CE1 3.8Å; V305-F581 HydrophobicContact CG2-CZ 4.34Å; T545-F581 CarbonylContact C-O 3.39Å; T545-F581 WeakPolarHBondContact CA-O 3.33Å; L546-F581 HydrophobicContact CB-CB 4.44Å; L546-F581 HydrophobicContact CD1-CD2 4.38Å; L546-F581 PolarHBondContact N-O 3.15Å; L546-F581 PolarHBondContact O-N 3.09Å; L546-F581 VanDerWaalsContact O-O 3.09Å; R551-F581 HydrophobicContact CG-CD2 4.09Å; R551-F581 HydrophobicContact CG-CE2 3.43Å; R551-F581 VanDerWaalsContact CG-CE2 3.43Å; R551-F581 HydrophobicContact CG-CZ 3.68Å; I554-F581 HydrophobicContact CD1-CD2 4.04Å; I554-F581 HydrophobicContact CD1-CE2 4.06Å; L569-F581 HydrophobicContact CD2-CE2 3.5Å; L569-F581 VanDerWaalsContact CD2-CE2 3.5Å; L569-F581 HydrophobicContact CD2-CZ 3.67Å; F581-W584 HydrophobicContact CB-CB 4.04Å; F581-W584 HydrophobicContact CD1-CB 3.98Å; F581-W584 HydrophobicContact CD1-CG 4.01Å; F581-W584 HydrophobicContact CG-CB 4.42Å; F581-F586 HydrophobicContact CD1-CE2 4.13Å; F581-F586 AromaticContact CD1-CZ 3.74Å; F581-F586 HydrophobicContact CD1-CZ 3.74Å; F581-F586 HydrophobicContact CD2-CE2 4.44Å; F581-F586 HydrophobicContact CD2-CZ 4.17Å; F581-F586 HydrophobicContact CE1-CE1 4.35Å; F581-F586 HydrophobicContact CE1-CE2 4.42Å; F581-F586 AromaticContact CE1-CZ 3.58Å; F581-F586 HydrophobicContact CE1-CZ 3.58Å; F581-F586 HydrophobicContact CE2-CZ 4.03Å; F581-F586 HydrophobicContact CG-CE2 4.15Å; F581-F586 HydrophobicContact CG-CZ 4.04Å; F581-F586 HydrophobicContact CZ-CE1 4.49Å; F581-F586 AromaticContact CZ-CZ 3.74Å; F581-F586 HydrophobicContact CZ-CZ 3.74Å
582	H	94.8	Very high	95.7	Very high	129 Å²	129	33 Å²	33	60%	0.597	18%	0.181	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-120.5	110.8	177.7	-179	74.3	0	0	0	110	W584	H582-W584 PolarHBondContact O-N 2.97Å; H582-W584 VanDerWaalsContact O-N 3.11Å
583	A	95.3	Very high	95.6	Very high	16 Å²	16	33.5 Å²	33.5	13%	0.132	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	47.1	34.4	-174.7	0	0	0	0	0	114.5	K543 V544 T545	K543-A583 HydrophobicContact CD-CB 4.39Å; K543-A583 HydrophobicContact CG-CB 4.22Å; K543-A583 VanDerWaalsContact CG-O 3.25Å; K543-A583 WeakPolarHBondContact CG-O 3.41Å; V544-A583 CarbonylContact O-C 3.54Å; V544-A583 VanDerWaalsContact O-CA 3.31Å; V544-A583 WeakPolarHBondContact O-CA 3.17Å; V544-A583 PolarHBondContact O-N 3.04Å; T545-A583 PolarHBondContact OG1-N 3.4Å; T545-A583 VanDerWaalsContact OG1-N 3.07Å
584	W	97.7	Very high	95.7	Very high	10 Å²	10	30.6 Å²	30.6	4%	0.038	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	124.4	-175	-171.3	-95	0	0	0	111	V305 N346 C347 A542 K543 V544 F581 H582 F586 W731	V305-W584 HydrophobicContact CG1-CD2 4Å; V305-W584 HydrophobicContact CG1-CE3 3.88Å; V305-W584 HydrophobicContact CG1-CH2 3.72Å; V305-W584 HydrophobicContact CG1-CZ2 3.85Å; V305-W584 HydrophobicContact CG1-CZ3 3.72Å; N346-W584 PolarHBondContact O-NE1 3.09Å; C347-W584 WeakPolarHBondContact O-CZ2 3.41Å; A542-W584 VanDerWaalsContact O-O 3.11Å; K543-W584 WeakPolarHBondContact CA-O 3.31Å; V544-W584 PolarHBondContact N-O 3.45Å; V544-W584 PolarHBondContact O-N 2.85Å; F581-W584 HydrophobicContact CB-CB 4.04Å; F581-W584 HydrophobicContact CD1-CB 3.98Å; F581-W584 HydrophobicContact CD1-CG 4.01Å; F581-W584 HydrophobicContact CG-CB 4.42Å; H582-W584 PolarHBondContact O-N 2.97Å; H582-W584 VanDerWaalsContact O-N 3.11Å; W584-F586 HydrophobicContact CB-CE2 4.15Å; W584-F586 AromaticContact CD1-CD1 3.88Å; W584-F586 AromaticContact CD1-CD2 3.65Å; W584-F586 AromaticContact CD1-CE1 3.77Å; W584-F586 AromaticContact CD1-CE2 3.52Å; W584-F586 AromaticContact CD1-CG 3.82Å; W584-F586 AromaticContact CD1-CZ 3.59Å; W584-F586 HydrophobicContact CG-CD2 4.48Å; W584-F586 HydrophobicContact CG-CE2 4.18Å; W584-F586 HydrophobicContact CG-CZ 4.4Å; W584-F586 PolarHBondContact O-N 2.91Å; W584-W731 HydrophobicContact CE3-CZ2 4.23Å; W584-W731 AromaticContact CE3-NE1 3.73Å; W584-W731 HydrophobicContact CH2-CZ2 4.02Å; W584-W731 AromaticContact CZ3-CE2 3.67Å; W584-W731 AromaticContact CZ3-CZ2 3.52Å; W584-W731 HydrophobicContact CZ3-CZ2 3.52Å; W584-W731 AromaticContact CZ3-NE1 3.49Å
585	P	97.8	Very high	95.7	Very high	21 Å²	21	30 Å²	30	14%	0.136	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	75.1	-172.3	36.4	-35.5	0	0	0	112.1	N352 Q541 M587	N352-P585 PolarHBondContact ND2-O 2.92Å; Q541-P585 HydrophobicContact CB-CB 4.31Å; Q541-P585 HydrophobicContact CG-CB 4.4Å; P585-M587 PolarHBondContact O-N 3.14Å
586	F	98.6	Very high	95.7	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	117.4	177.8	-71.7	-83.7	0	0	0	111.3	N346 Q541 A542 V544 L556 L568 L569 F581 W584	N346-F586 HydrophobicContact CB-CD1 3.86Å; N346-F586 HydrophobicContact CB-CE1 4.43Å; Q541-F586 CarbonylContact C-O 3.56Å; Q541-F586 VanDerWaalsContact CA-O 3.28Å; Q541-F586 WeakPolarHBondContact CA-O 3.41Å; A542-F586 PolarHBondContact N-O 2.86Å; A542-F586 PolarHBondContact O-N 3.17Å; V544-F586 HydrophobicContact CG2-CD2 3.58Å; V544-F586 HydrophobicContact CG2-CE2 3.42Å; V544-F586 VanDerWaalsContact CG2-CE2 3.42Å; L556-F586 HydrophobicContact CD1-CD2 3.84Å; L556-F586 HydrophobicContact CD1-CE1 4.4Å; L556-F586 HydrophobicContact CD1-CE2 3.52Å; L556-F586 HydrophobicContact CD1-CG 4.41Å; L556-F586 HydrophobicContact CD1-CZ 3.83Å; L568-F586 HydrophobicContact CB-CB 3.99Å; L568-F586 HydrophobicContact CB-CD1 4.42Å; L568-F586 HydrophobicContact CB-CG 4.33Å; L568-F586 HydrophobicContact CD1-CB 4.06Å; L568-F586 HydrophobicContact CG-CB 4.42Å; L568-F586 WeakPolarHBondContact O-CD1 3.29Å; L569-F586 HydrophobicContact CB-CE1 4Å; L569-F586 HydrophobicContact CB-CZ 4.43Å; L569-F586 HydrophobicContact CD1-CE1 4.26Å; L569-F586 HydrophobicContact CD2-CE1 4.36Å; L569-F586 HydrophobicContact CD2-CZ 4.13Å; L569-F586 HydrophobicContact CG-CE1 4.44Å; F581-F586 HydrophobicContact CD1-CE2 4.13Å; F581-F586 AromaticContact CD1-CZ 3.74Å; F581-F586 HydrophobicContact CD1-CZ 3.74Å; F581-F586 HydrophobicContact CD2-CE2 4.44Å; F581-F586 HydrophobicContact CD2-CZ 4.17Å; F581-F586 HydrophobicContact CE1-CE1 4.35Å; F581-F586 HydrophobicContact CE1-CE2 4.42Å; F581-F586 AromaticContact CE1-CZ 3.58Å; F581-F586 HydrophobicContact CE1-CZ 3.58Å; F581-F586 HydrophobicContact CE2-CZ 4.03Å; F581-F586 HydrophobicContact CG-CE2 4.15Å; F581-F586 HydrophobicContact CG-CZ 4.04Å; F581-F586 HydrophobicContact CZ-CE1 4.49Å; F581-F586 AromaticContact CZ-CZ 3.74Å; F581-F586 HydrophobicContact CZ-CZ 3.74Å; W584-F586 HydrophobicContact CB-CE2 4.15Å; W584-F586 AromaticContact CD1-CD1 3.88Å; W584-F586 AromaticContact CD1-CD2 3.65Å; W584-F586 AromaticContact CD1-CE1 3.77Å; W584-F586 AromaticContact CD1-CE2 3.52Å; W584-F586 AromaticContact CD1-CG 3.82Å; W584-F586 AromaticContact CD1-CZ 3.59Å; W584-F586 HydrophobicContact CG-CD2 4.48Å; W584-F586 HydrophobicContact CG-CE2 4.18Å; W584-F586 HydrophobicContact CG-CZ 4.4Å; W584-F586 PolarHBondContact O-N 2.91Å
587	M	98.7	Very high	95.7	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	143.4	-171.3	-162.5	-89	-78.2	0	0	112.5	N346 N352 I354 S376 H539 V540 Q541 P585 V589	N346-M587 PolarHBondContact OD1-O 2.62Å; N352-M587 VanDerWaalsContact O-CB 3.24Å; N352-M587 WeakPolarHBondContact O-CB 3.5Å; N352-M587 WeakPolarHBondContact OD1-CB 3.22Å; N352-M587 PolarHBondContact OD1-N 2.69Å; I354-M587 HydrophobicContact CG2-CG 3.94Å; S376-M587 CarbonylContact C-O 3.51Å; S376-M587 PolarHBondContact OG-O 2.89Å; H539-M587 HydrophobicContact CB-CG 4.43Å; H539-M587 HydrophobicContact CB-SD 4.21Å; V540-M587 CarbonylContact O-C 3.43Å; V540-M587 WeakPolarHBondContact O-CA 3.49Å; Q541-M587 HydrophobicContact CG-CB 3.87Å; Q541-M587 HydrophobicContact CG-CG 3.74Å; P585-M587 PolarHBondContact O-N 3.14Å; M587-V589 HydrophobicContact CE-CG1 4.04Å; M587-V589 HydrophobicContact SD-CG1 3.6Å; M587-V589 VanDerWaalsContact SD-CG1 3.6Å
588	S	98.8	Very high	96	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	131.1	171.5	-179.8	0	0	0	0	111.6	S376 V540 S566 H590 Y591	S376-S588 WeakPolarHBondContact O-CA 3.42Å; V540-S588 PolarHBondContact N-O 3.04Å; V540-S588 PolarHBondContact O-N 3.22Å; S566-S588 WeakPolarHBondContact CB-OG 3.39Å; S566-S588 PolarHBondContact OG-OG 3.44Å; S588-H590 PolarHBondContact OG-N 3.45Å; S588-Y591 WeakPolarHBondContact OG-CE2 3.3Å
589	V	98.7	Very high	96.3	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.012	15%	0.148	C	C	.	.			trans	-94.6	-4.9	171.1	-56.9	0	0	0	0	112.6	S376 L379 Y468 M587 Y591 W592	S376-V589 PolarHBondContact O-N 3.09Å; L379-V589 HydrophobicContact CD1-CB 3.94Å; L379-V589 HydrophobicContact CD1-CG1 3.96Å; L379-V589 HydrophobicContact CD1-CG2 3.94Å; Y468-V589 HydrophobicContact CE2-CG2 4.29Å; Y468-V589 PolarHBondContact OH-O 3.47Å; M587-V589 HydrophobicContact CE-CG1 4.04Å; M587-V589 HydrophobicContact SD-CG1 3.6Å; M587-V589 VanDerWaalsContact SD-CG1 3.6Å; V589-Y591 PolarHBondContact O-N 2.86Å; V589-W592 HydrophobicContact CB-CE3 4.21Å; V589-W592 HydrophobicContact CG1-CE3 4.47Å; V589-W592 HydrophobicContact CG1-CZ3 4.43Å; V589-W592 WeakPolarHBondContact O-CB 3.46Å; V589-W592 PolarHBondContact O-N 3.1Å; V589-W592 VanDerWaalsContact O-N 3.13Å
590	H	98.7	Very high	97.3	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-23	-170.8	-73.7	-142.2	0	0	0	113.5	H454 N456 V462 H464 Y468 T564 S566 S588 W592	H454-H590 AromaticContact CE1-CE1 3.64Å; H454-H590 AromaticContact CE1-ND1 3.36Å; H454-H590 PolarHBondContact CE1-ND1 3.42Å; H454-H590 AromaticContact NE2-CE1 3.89Å; H454-H590 AromaticContact NE2-ND1 3.14Å; H454-H590 PolarHBondContact NE2-ND1 2.77Å; H454-H590 VanDerWaalsContact NE2-ND1 3.14Å; N456-H590 WeakPolarHBondContact CB-O 3.26Å; N456-H590 PolarHBondContact ND2-O 2.79Å; V462-H590 HydrophobicContact CG1-CB 4.14Å; V462-H590 HydrophobicContact CG2-CB 4.37Å; H464-H590 AromaticContact CD2-CE1 3.31Å; H464-H590 PolarHBondContact CD2-CE1 3.29Å; H464-H590 AromaticContact CD2-NE2 3.69Å; H464-H590 AromaticContact CE1-CE1 3.66Å; H464-H590 AromaticContact CG-CE1 3.66Å; H464-H590 AromaticContact ND1-CE1 3.86Å; H464-H590 AromaticContact NE2-CE1 3.3Å; H464-H590 PolarHBondContact NE2-CE1 2.96Å; H464-H590 VanDerWaalsContact NE2-CE1 3.3Å; H464-H590 AromaticContact NE2-ND1 3.82Å; Y468-H590 PolarHBondContact OH-O 2.89Å; Y468-H590 VanDerWaalsContact OH-O 3.06Å; T564-H590 HydrophobicContact CG2-CB 4.32Å; S566-H590 PolarHBondContact OG-ND1 2.83Å; S588-H590 PolarHBondContact OG-N 3.45Å; H590-W592 VanDerWaalsContact C-N 3.33Å; H590-W592 PolarHBondContact O-N 3.45Å
591	Y	98.5	Very high	97.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	5.9	-177.6	-42.5	-66.5	0	0	0	113.9	V540 L558 T564 S566 S588 V589 G593 E594 W600	V540-Y591 HydrophobicContact CB-CD2 3.72Å; V540-Y591 HydrophobicContact CB-CE2 4.04Å; V540-Y591 HydrophobicContact CG1-CD2 4.28Å; V540-Y591 HydrophobicContact CG1-CE2 4.22Å; V540-Y591 HydrophobicContact CG2-CD2 3.66Å; V540-Y591 HydrophobicContact CG2-CE2 4.41Å; V540-Y591 HydrophobicContact CG2-CG 4.4Å; L558-Y591 VanDerWaalsContact CB-OH 3.29Å; L558-Y591 WeakPolarHBondContact CB-OH 3.5Å; L558-Y591 HydrophobicContact CD2-CE2 4.02Å; L558-Y591 WeakPolarHBondContact CG-OH 3.26Å; L558-Y591 PolarHBondContact O-OH 2.91Å; T564-Y591 HydrophobicContact CG2-CD1 3.75Å; T564-Y591 HydrophobicContact CG2-CE1 3.83Å; S566-Y591 VanDerWaalsContact CB-OH 3.26Å; S566-Y591 WeakPolarHBondContact CB-OH 3.36Å; S588-Y591 WeakPolarHBondContact OG-CE2 3.3Å; V589-Y591 PolarHBondContact O-N 2.86Å; Y591-G593 PolarHBondContact O-N 3.48Å; Y591-G593 VanDerWaalsContact O-N 3.13Å; Y591-E594 VanDerWaalsContact O-CB 3.24Å; Y591-E594 WeakPolarHBondContact O-CB 3.31Å; Y591-E594 WeakPolarHBondContact O-CG 3.45Å; Y591-E594 PolarHBondContact O-N 2.86Å; Y591-W600 HydrophobicContact CD1-CH2 4.21Å; Y591-W600 HydrophobicContact CD1-CZ3 4.13Å; Y591-W600 AromaticContact CD2-CH2 4Å; Y591-W600 HydrophobicContact CD2-CH2 4Å; Y591-W600 AromaticContact CD2-CZ3 3.99Å; Y591-W600 HydrophobicContact CD2-CZ3 3.99Å; Y591-W600 HydrophobicContact CE1-CZ3 4.01Å; Y591-W600 HydrophobicContact CE2-CH2 4.31Å; Y591-W600 AromaticContact CE2-CZ3 3.83Å; Y591-W600 HydrophobicContact CE2-CZ3 3.83Å; Y591-W600 AromaticContact CG-CH2 3.91Å; Y591-W600 HydrophobicContact CG-CH2 3.91Å; Y591-W600 HydrophobicContact CG-CZ3 4.11Å; Y591-W600 AromaticContact CZ-CZ3 3.84Å
592	W	98.1	Very high	97.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	118.1	-168.2	-158.1	-68.1	0	0	0	113.5	L379 Q436 Y437 V440 V458 R460 Y468 E538 H539 V589 H590	L379-W592 HydrophobicContact CD1-CE3 4.35Å; L379-W592 HydrophobicContact CD1-CZ3 4.22Å; Q436-W592 HydrophobicContact CB-CH2 3.74Å; Q436-W592 HydrophobicContact CB-CZ2 4.2Å; Y437-W592 HydrophobicContact CD1-CZ2 4.39Å; Y437-W592 AromaticContact CD1-NE1 3.23Å; Y437-W592 AromaticContact CD2-CZ2 3.69Å; Y437-W592 HydrophobicContact CD2-CZ2 3.69Å; Y437-W592 AromaticContact CE1-CD1 3.96Å; Y437-W592 HydrophobicContact CE1-CZ2 4.49Å; Y437-W592 AromaticContact CE1-NE1 3.12Å; Y437-W592 AromaticContact CE2-CZ2 3.82Å; Y437-W592 HydrophobicContact CE2-CZ2 3.82Å; Y437-W592 AromaticContact CE2-NE1 3.98Å; Y437-W592 HydrophobicContact CG-CZ2 4Å; Y437-W592 AromaticContact CG-NE1 3.73Å; Y437-W592 AromaticContact CZ-NE1 3.54Å; V440-W592 HydrophobicContact CB-CG 4.44Å; V440-W592 HydrophobicContact CG1-CB 4Å; V440-W592 HydrophobicContact CG1-CG 3.88Å; V440-W592 HydrophobicContact CG2-CD2 3.9Å; V440-W592 HydrophobicContact CG2-CE3 4.19Å; V440-W592 HydrophobicContact CG2-CG 4.1Å; V458-W592 WeakPolarHBondContact CG2-O 3.31Å; R460-W592 PolarHBondContact NH1-O 3.1Å; Y468-W592 HydrophobicContact CE2-CB 4.28Å; Y468-W592 WeakPolarHBondContact OH-CB 3.44Å; Y468-W592 PolarHBondContact OH-N 2.9Å; E538-W592 HydrophobicContact CB-CD2 4.4Å; E538-W592 HydrophobicContact CB-CE3 4.34Å; E538-W592 HydrophobicContact CB-CH2 3.94Å; E538-W592 HydrophobicContact CB-CZ2 4Å; E538-W592 HydrophobicContact CB-CZ3 4.12Å; E538-W592 HydrophobicContact CG-CH2 4.22Å; E538-W592 HydrophobicContact CG-CZ2 3.82Å; H539-W592 AromaticContact CD2-CZ3 3.87Å; H539-W592 AromaticContact CE1-CH2 3.88Å; H539-W592 AromaticContact CE1-CZ3 3.98Å; H539-W592 AromaticContact NE2-CH2 3.84Å; H539-W592 AromaticContact NE2-CZ3 3.63Å; V589-W592 HydrophobicContact CB-CE3 4.21Å; V589-W592 HydrophobicContact CG1-CE3 4.47Å; V589-W592 HydrophobicContact CG1-CZ3 4.43Å; V589-W592 WeakPolarHBondContact O-CB 3.46Å; V589-W592 PolarHBondContact O-N 3.1Å; V589-W592 VanDerWaalsContact O-N 3.13Å; H590-W592 VanDerWaalsContact C-N 3.33Å; H590-W592 PolarHBondContact O-N 3.45Å
593	G	96.3	Very high	97.9	Very high	14 Å²	14	20.1 Å²	20.1	14%	0.144	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.5	-6.6	-176.9	0	0	0	0	0	115.9	V458 L537 Y591	V458-G593 WeakPolarHBondContact CG1-O 3.42Å; L537-G593 PolarHBondContact O-N 3.05Å; Y591-G593 PolarHBondContact O-N 3.48Å; Y591-G593 VanDerWaalsContact O-N 3.13Å
594	E	97.8	Very high	98	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.009	11%	0.113	C	C	.	.			trans	-64.7	164.3	171.9	-68.3	175.7	-153.4	0	0	111.6	N456 G457 V458 L537 S560 A562 T564 Y591	N456-E594 WeakPolarHBondContact CB-OE1 3.34Å; G457-E594 PolarHBondContact N-OE1 3.03Å; V458-E594 HydrophobicContact CG1-CG 4.16Å; V458-E594 HydrophobicContact CG2-CG 4.49Å; L537-E594 HydrophobicContact CD1-CB 4.16Å; L537-E594 WeakPolarHBondContact CG-O 3.17Å; L537-E594 PolarHBondContact N-O 2.86Å; S560-E594 VanDerWaalsContact CB-OE2 3.26Å; S560-E594 WeakPolarHBondContact CB-OE2 3.45Å; S560-E594 PolarHBondContact OG-OE2 2.96Å; A562-E594 HydrophobicContact CB-CG 4.44Å; T564-E594 WeakPolarHBondContact CB-OE1 3.43Å; T564-E594 PolarHBondContact OG1-OE1 3.43Å; T564-E594 PolarHBondContact OG1-OE2 3.26Å; Y591-E594 VanDerWaalsContact O-CB 3.24Å; Y591-E594 WeakPolarHBondContact O-CB 3.31Å; Y591-E594 WeakPolarHBondContact O-CG 3.45Å; Y591-E594 PolarHBondContact O-N 2.86Å
595	L	97.5	Very high	98	Very high	91 Å²	91	22.3 Å²	22.3	48%	0.476	13%	0.126	S	C	.	.	B	Isolated β-bridge	trans	-79.6	136.4	173.6	-63.6	178.5	0	0	0	110.5	V535 N597	V535-L595 HydrophobicContact CG1-CD2 4.1Å; V535-L595 WeakPolarHBondContact O-CA 3.15Å; L595-N597 VanDerWaalsContact C-N 3.32Å; L595-N597 PolarHBondContact O-N 3.09Å
596	A	97.1	Very high	98	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.008	12%	0.12	C	C	.	.			trans	-68.1	-27.5	-177.8	0	0	0	0	0	114.4	V534 V535 L537 W600 L620	V534-A596 HydrophobicContact CB-CB 4.48Å; V534-A596 HydrophobicContact CG1-CB 4.19Å; V534-A596 VanDerWaalsContact O-CB 3.31Å; V534-A596 WeakPolarHBondContact O-CB 3.25Å; V535-A596 PolarHBondContact O-N 3.09Å; L537-A596 HydrophobicContact CD2-CB 3.75Å; L537-A596 HydrophobicContact CG-CB 4.3Å; A596-W600 PolarHBondContact O-NE1 3.01Å; A596-L620 HydrophobicContact CB-CD1 4.08Å
597	N	96.6	Very high	97.8	Very high	83 Å²	83	21.5 Å²	21.5	44%	0.444	12%	0.122	S	C	.	.			trans	-88.2	147.7	-165.4	65.4	-22.4	0	0	0	114.2	T517 P561 L595	T517-N597 CarbonylContact O-C 3.54Å; T517-N597 WeakPolarHBondContact O-CA 3.45Å; P561-N597 WeakPolarHBondContact CB-O 3.25Å; P561-N597 WeakPolarHBondContact CG-O 3.16Å; L595-N597 VanDerWaalsContact C-N 3.32Å; L595-N597 PolarHBondContact O-N 3.09Å
598	G	97.7	Very high	97.6	Very high	26 Å²	26	25.9 Å²	25.9	27%	0.268	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	117.4	-163.7	-178.8	0	0	0	0	0	112.5	T516 T517	T516-G598 WeakPolarHBondContact CA-O 3.29Å; T517-G598 PolarHBondContact N-O 3.09Å; T517-G598 PolarHBondContact O-N 2.85Å
599	T	98.2	Very high	97.4	Very high	73 Å²	73	26.1 Å²	26.1	45%	0.448	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	111.5	-175.5	-53	0	0	0	0	111.6	A514 T516	A514-T599 HydrophobicContact CB-CG2 3.94Å; T516-T599 PolarHBondContact OG1-OG1 3.41Å
600	W	98.5	Very high	97.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	151.8	166.5	-67.6	79	0	0	0	110.4	A514 L515 L537 V540 L558 T559 P561 Y591 A596 L618 L620	A514-W600 WeakPolarHBondContact CA-O 3.31Å; L515-W600 PolarHBondContact N-O 2.84Å; L515-W600 PolarHBondContact O-N 2.85Å; L537-W600 HydrophobicContact CD1-CH2 3.75Å; L537-W600 HydrophobicContact CD1-CZ2 3.63Å; V540-W600 HydrophobicContact CG1-CH2 4.25Å; V540-W600 HydrophobicContact CG1-CZ3 4.17Å; V540-W600 HydrophobicContact CG2-CH2 3.96Å; L558-W600 HydrophobicContact CD1-CB 4.43Å; L558-W600 HydrophobicContact CD1-CE3 3.93Å; L558-W600 HydrophobicContact CD2-CE3 3.84Å; L558-W600 HydrophobicContact CD2-CZ3 3.89Å; L558-W600 HydrophobicContact CG-CE3 3.8Å; L558-W600 HydrophobicContact CG-CZ3 4.13Å; T559-W600 WeakPolarHBondContact O-CA 3.45Å; P561-W600 VanDerWaalsContact CD-CE2 3.41Å; P561-W600 HydrophobicContact CG-CD2 4.44Å; P561-W600 HydrophobicContact CG-CG 4.32Å; Y591-W600 HydrophobicContact CD1-CH2 4.21Å; Y591-W600 HydrophobicContact CD1-CZ3 4.13Å; Y591-W600 AromaticContact CD2-CH2 4Å; Y591-W600 HydrophobicContact CD2-CH2 4Å; Y591-W600 AromaticContact CD2-CZ3 3.99Å; Y591-W600 HydrophobicContact CD2-CZ3 3.99Å; Y591-W600 HydrophobicContact CE1-CZ3 4.01Å; Y591-W600 HydrophobicContact CE2-CH2 4.31Å; Y591-W600 AromaticContact CE2-CZ3 3.83Å; Y591-W600 HydrophobicContact CE2-CZ3 3.83Å; Y591-W600 AromaticContact CG-CH2 3.91Å; Y591-W600 HydrophobicContact CG-CH2 3.91Å; Y591-W600 HydrophobicContact CG-CZ3 4.11Å; Y591-W600 AromaticContact CZ-CZ3 3.84Å; A596-W600 PolarHBondContact O-NE1 3.01Å; W600-L618 HydrophobicContact CB-CD2 3.94Å; W600-L618 HydrophobicContact CD2-CD2 3.6Å; W600-L618 HydrophobicContact CE3-CD1 4.49Å; W600-L618 HydrophobicContact CE3-CD2 4.27Å; W600-L618 HydrophobicContact CG-CD2 3.42Å; W600-L618 VanDerWaalsContact CG-CD2 3.42Å; W600-L620 HydrophobicContact CZ2-CD2 4Å
601	K	98.3	Very high	97.1	Very high	68 Å²	68	28.9 Å²	28.9	30%	0.296	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	109	179.7	-174.1	-161.4	73.3	-133.8	0	111.7	N512 L513 T559 T603	N512-K601 HydrophobicContact CB-CD 4.19Å; N512-K601 HydrophobicContact CB-CG 4.28Å; L513-K601 CarbonylContact O-C 3.59Å; L513-K601 VanDerWaalsContact O-CA 3.32Å; L513-K601 WeakPolarHBondContact O-CA 3.41Å; T559-K601 PolarHBondContact N-O 3.49Å; T559-K601 PolarHBondContact O-N 3.04Å; T559-K601 VanDerWaalsContact OG1-CE 3.3Å; T559-K601 WeakPolarHBondContact OG1-CE 3.06Å; T559-K601 PolarHBondContact OG1-NZ 3.19Å; K601-T603 VanDerWaalsContact CE-OG1 3.26Å; K601-T603 WeakPolarHBondContact CE-OG1 3.29Å
602	L	98.5	Very high	97	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	122.1	168.6	180	64.7	0	0	0	108.9	L513 V544 V604 I613 W616	L513-L602 PolarHBondContact N-O 3.24Å; L513-L602 PolarHBondContact O-N 2.85Å; V544-L602 HydrophobicContact CG1-CD2 3.99Å; L602-V604 HydrophobicContact CD2-CG2 4.15Å; L602-V604 HydrophobicContact CG-CG2 4.02Å; L602-I613 HydrophobicContact CD2-CD1 3.97Å; L602-W616 HydrophobicContact CB-CD2 4.2Å; L602-W616 HydrophobicContact CB-CE3 4.21Å; L602-W616 HydrophobicContact CB-CH2 3.68Å; L602-W616 HydrophobicContact CB-CZ2 3.66Å; L602-W616 HydrophobicContact CB-CZ3 3.96Å; L602-W616 HydrophobicContact CD2-CB 4.2Å; L602-W616 HydrophobicContact CD2-CD2 3.57Å; L602-W616 HydrophobicContact CD2-CE3 3.95Å; L602-W616 HydrophobicContact CD2-CG 3.69Å; L602-W616 HydrophobicContact CD2-CZ2 4.49Å
603	T	98.5	Very high	96.9	Very high	13 Å²	13	29.9 Å²	29.9	8%	0.08	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	116.3	175.1	-47.7	0	0	0	0	108.1	K510 E511 W557 K601	K510-T603 HydrophobicContact CD-CG2 4.33Å; E511-T603 WeakPolarHBondContact O-CA 2.98Å; W557-T603 HydrophobicContact CE3-CG2 4.44Å; W557-T603 PolarHBondContact N-O 3.1Å; W557-T603 PolarHBondContact O-N 2.79Å; K601-T603 VanDerWaalsContact CE-OG1 3.26Å; K601-T603 WeakPolarHBondContact CE-OG1 3.29Å
604	V	98	Very high	96.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	124.7	177.4	-174.2	0	0	0	0	107.9	I505 K510 E511 L546 L556 L602 V611 I613	I505-V604 HydrophobicContact CD1-CB 3.55Å; I505-V604 HydrophobicContact CD1-CG1 3.44Å; I505-V604 VanDerWaalsContact CD1-CG1 3.44Å; K510-V604 CarbonylContact C-O 3.6Å; K510-V604 WeakPolarHBondContact CA-O 3.36Å; K510-V604 WeakPolarHBondContact CB-O 3.35Å; E511-V604 PolarHBondContact N-O 3.4Å; E511-V604 PolarHBondContact O-N 2.86Å; L546-V604 HydrophobicContact CD2-CG1 4.07Å; L556-V604 HydrophobicContact CD2-CB 4.16Å; L556-V604 HydrophobicContact CD2-CG1 3.86Å; L556-V604 HydrophobicContact CD2-CG2 3.8Å; L602-V604 HydrophobicContact CD2-CG2 4.15Å; L602-V604 HydrophobicContact CG-CG2 4.02Å; V604-V611 HydrophobicContact CG1-CG1 4.22Å; V604-I613 HydrophobicContact CG2-CD1 4.12Å
605	K	97.6	Very high	96.7	Very high	73 Å²	73	35.1 Å²	35.1	32%	0.317	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	140.8	176.4	178.6	-165.3	172.7	-152.5	0	109.5	K510 E555 W557	K510-K605 HydrophobicContact CB-CB 4.03Å; K510-K605 HydrophobicContact CB-CG 4.32Å; E555-K605 HydrophobicContact CB-CB 4.22Å; E555-K605 HydrophobicContact CB-CD 4.3Å; E555-K605 PolarHBondContact N-O 3.33Å; E555-K605 PolarHBondContact O-N 2.94Å; E555-K605 WeakPolarHBondContact OE1-CD 3.42Å; E555-K605 VanDerWaalsContact OE1-CE 3.3Å; E555-K605 WeakPolarHBondContact OE1-CE 3.47Å; E555-K605 IonicContact OE1-NZ 2.68Å; E555-K605 PolarHBondContact OE1-NZ 3.36Å; E555-K605 IonicContact OE2-NZ 2.83Å; E555-K605 PolarHBondContact OE2-NZ 3.47Å; W557-K605 HydrophobicContact CH2-CB 4.25Å; W557-K605 HydrophobicContact CH2-CD 3.66Å; W557-K605 HydrophobicContact CZ3-CB 3.65Å; W557-K605 HydrophobicContact CZ3-CD 3.92Å; W557-K605 HydrophobicContact CZ3-CG 4.48Å
606	S	96.5	Very high	96.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	127.7	174	161	0	0	0	0	108.5	R506 Q507 M508 S509 A609	R506-S606 WeakPolarHBondContact O-CB 3.35Å; R506-S606 PolarHBondContact O-OG 2.77Å; Q507-S606 WeakPolarHBondContact CA-OG 3.45Å; M508-S606 CarbonylContact C-O 3.53Å; M508-S606 WeakPolarHBondContact CA-O 3.47Å; M508-S606 PolarHBondContact N-O 3.12Å; M508-S606 VanDerWaalsContact N-O 3.08Å; S509-S606 PolarHBondContact N-O 3.29Å; S509-S606 PolarHBondContact O-N 3.15Å; S606-A609 PolarHBondContact OG-O 2.73Å
607	G	95.4	Very high	96.7	Very high	4 Å²	4	30.9 Å²	30.9	4%	0.041	17%	0.17	C	C	.	.	S	Bend	trans	-85.2	-124.6	166.8	0	0	0	0	0	111.5	Q507 M508 E553 A609	Q507-G607 CarbonylContact C-O 3.59Å; Q507-G607 VanDerWaalsContact CA-O 3.31Å; Q507-G607 WeakPolarHBondContact CA-O 3.39Å; M508-G607 PolarHBondContact N-O 2.93Å; E553-G607 PolarHBondContact O-N 3.1Å; E553-G607 VanDerWaalsContact OE2-CA 3.29Å; E553-G607 WeakPolarHBondContact OE2-CA 3.31Å; G607-A609 VanDerWaalsContact C-N 3.26Å; G607-A609 PolarHBondContact O-N 2.93Å
608	N	95.1	Very high	96.7	Very high	93 Å²	93	26.9 Å²	26.9	50%	0.497	15%	0.149	S	C	.	.	S	Bend	trans	-74.9	-6.6	-176.1	-61.6	-47.6	0	0	0	114.8	Q507 E553	Q507-N608 PolarHBondContact NE2-O 3Å; E553-N608 VanDerWaalsContact CD-N 3.34Å; E553-N608 HydrophobicContact CG-CB 4.18Å; E553-N608 PolarHBondContact OE1-ND2 2.9Å; E553-N608 PolarHBondContact OE2-N 2.83Å
609	A	94.5	Very high	96.8	Very high	6 Å²	6	26.1 Å²	26.1	5%	0.05	14%	0.139	C	C	.	.	S	Bend	trans	-121.2	140.7	177.4	0	0	0	0	0	111.7	S548 A549 Q550 E553 S606 G607	S548-A609 WeakPolarHBondContact OG-CB 3.36Å; A549-A609 HydrophobicContact CB-CB 4.33Å; Q550-A609 HydrophobicContact CB-CB 3.58Å; E553-A609 HydrophobicContact CB-CB 3.98Å; E553-A609 HydrophobicContact CG-CB 4.21Å; S606-A609 PolarHBondContact OG-O 2.73Å; G607-A609 VanDerWaalsContact C-N 3.26Å; G607-A609 PolarHBondContact O-N 2.93Å
610	V	94.9	Very high	96.8	Very high	60 Å²	60	22.7 Å²	22.7	36%	0.364	12%	0.118	S	C	.	.			trans	-60.5	136.3	173.2	174.6	0	0	0	0	109.6	T504 I505 Q507 S548	T504-V610 HydrophobicContact CG2-CG1 3.59Å; I505-V610 WeakPolarHBondContact O-CG1 3.48Å; Q507-V610 HydrophobicContact CG-CG2 3.97Å; S548-V610 WeakPolarHBondContact CA-O 3.42Å; S548-V610 PolarHBondContact OG-O 2.83Å
611	V	95.8	Very high	96.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	129.1	179.6	-176	0	0	0	0	109	I505 L546 S547 I554 V604	I505-V611 WeakPolarHBondContact CA-O 3.49Å; I505-V611 HydrophobicContact CB-CB 4.47Å; I505-V611 WeakPolarHBondContact CB-O 3.23Å; I505-V611 PolarHBondContact N-O 2.82Å; I505-V611 PolarHBondContact O-N 3.42Å; I505-V611 VanDerWaalsContact O-N 3.15Å; L546-V611 HydrophobicContact CD2-CG1 3.72Å; S547-V611 WeakPolarHBondContact O-CA 3.08Å; I554-V611 HydrophobicContact CD1-CG1 4.27Å; I554-V611 HydrophobicContact CG1-CG1 4.04Å; I554-V611 HydrophobicContact CG1-CG2 3.79Å; V604-V611 HydrophobicContact CG1-CG1 4.22Å
612	S	95.4	Very high	96.7	Very high	20 Å²	20	20.6 Å²	20.6	14%	0.14	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	123.3	171.9	-58.2	0	0	0	0	109.7	I503 T504 L546 S547 H614	I503-S612 WeakPolarHBondContact O-CA 3.35Å; T504-S612 WeakPolarHBondContact CG2-OG 3.32Å; T504-S612 PolarHBondContact OG1-OG 2.95Å; L546-S612 WeakPolarHBondContact CA-O 3.45Å; S547-S612 PolarHBondContact N-O 3.4Å; S547-S612 PolarHBondContact O-N 2.99Å; S612-H614 PolarHBondContact O-CD2 3Å
613	I	96	Very high	96.6	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	128.4	172.1	-174	162.9	0	0	0	109.6	M498 P502 I503 L513 L546 L602 V604 W616	M498-I613 HydrophobicContact CE-CG1 4.26Å; M498-I613 HydrophobicContact CE-CG2 4.11Å; M498-I613 WeakPolarHBondContact CE-O 3.26Å; M498-I613 HydrophobicContact SD-CG1 4.3Å; P502-I613 CarbonylContact C-O 3.53Å; P502-I613 VanDerWaalsContact CA-O 3.26Å; P502-I613 WeakPolarHBondContact CA-O 3.42Å; P502-I613 WeakPolarHBondContact CB-O 3.39Å; I503-I613 HydrophobicContact CB-CG2 3.86Å; I503-I613 PolarHBondContact N-O 2.82Å; I503-I613 PolarHBondContact O-N 3.05Å; L513-I613 HydrophobicContact CD1-CD1 3.83Å; L513-I613 HydrophobicContact CD1-CG2 3.99Å; L546-I613 HydrophobicContact CD2-CB 3.58Å; L546-I613 HydrophobicContact CD2-CD1 4.09Å; L546-I613 HydrophobicContact CD2-CG1 3.9Å; L546-I613 HydrophobicContact CG-CB 4.49Å; L546-I613 HydrophobicContact CG-CG1 4.34Å; L602-I613 HydrophobicContact CD2-CD1 3.97Å; V604-I613 HydrophobicContact CG2-CD1 4.12Å; I613-W616 HydrophobicContact CD1-CB 4.5Å; I613-W616 HydrophobicContact CD1-CG 4.47Å
614	H	94.8	Very high	96.3	Very high	76 Å²	76	21.7 Å²	21.7	35%	0.352	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-43.2	-175.3	-58.2	-100.6	0	0	0	111.1	M498 P502 T545 S547 S612	M498-H614 WeakPolarHBondContact CE-O 3.27Å; P502-H614 HydrophobicContact CG-CB 4.43Å; P502-H614 WeakPolarHBondContact CG-ND1 3.28Å; T545-H614 HydrophobicContact CG2-CB 3.96Å; T545-H614 PolarHBondContact O-N 2.91Å; S547-H614 WeakPolarHBondContact CB-NE2 3.44Å; S547-H614 PolarHBondContact OG-NE2 3.3Å; S612-H614 PolarHBondContact O-CD2 3Å
615	D	95.4	Very high	96	Very high	50 Å²	50	25 Å²	25	27%	0.267	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	157.2	-178.9	-176.6	43.4	0	0	0	111.2	Q495 T545	Q495-D615 PolarHBondContact NE2-OD1 2.95Å; Q495-D615 PolarHBondContact NE2-OD2 2.89Å; T545-D615 PolarHBondContact N-O 2.9Å
616	W	96.8	Very high	95.6	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.008	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	151.2	158.7	67.7	-69.9	0	0	0	113.3	Q495 A496 L513 L515 K543 V544 L558 L602 I613 L618	Q495-W616 PolarHBondContact NE2-O 3.35Å; A496-W616 HydrophobicContact CB-CD2 3.93Å; A496-W616 HydrophobicContact CB-CG 3.93Å; A496-W616 HydrophobicContact CB-CZ2 4.22Å; A496-W616 VanDerWaalsContact CB-NE1 3.31Å; A496-W616 WeakPolarHBondContact CB-O 3.37Å; A496-W616 PolarHBondContact N-O 1.99Å; L513-W616 HydrophobicContact CB-CZ2 3.99Å; L515-W616 HydrophobicContact CB-CH2 3.54Å; L515-W616 HydrophobicContact CB-CZ2 3.79Å; L515-W616 HydrophobicContact CB-CZ3 4.35Å; L515-W616 HydrophobicContact CD2-CH2 4.01Å; L515-W616 HydrophobicContact CD2-CZ3 3.99Å; L515-W616 HydrophobicContact CG-CH2 4.43Å; K543-W616 CarbonylContact O-C 3.57Å; K543-W616 WeakPolarHBondContact O-CA 3.28Å; V544-W616 HydrophobicContact CB-CB 4.35Å; V544-W616 HydrophobicContact CG1-CB 3.9Å; L558-W616 HydrophobicContact CD1-CZ3 4.43Å; L602-W616 HydrophobicContact CB-CD2 4.2Å; L602-W616 HydrophobicContact CB-CE3 4.21Å; L602-W616 HydrophobicContact CB-CH2 3.68Å; L602-W616 HydrophobicContact CB-CZ2 3.66Å; L602-W616 HydrophobicContact CB-CZ3 3.96Å; L602-W616 HydrophobicContact CD2-CB 4.2Å; L602-W616 HydrophobicContact CD2-CD2 3.57Å; L602-W616 HydrophobicContact CD2-CE3 3.95Å; L602-W616 HydrophobicContact CD2-CG 3.69Å; L602-W616 HydrophobicContact CD2-CZ2 4.49Å; I613-W616 HydrophobicContact CD1-CB 4.5Å; I613-W616 HydrophobicContact CD1-CG 4.47Å; W616-L618 HydrophobicContact CZ3-CB 4.31Å
617	S	97.5	Very high	95.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	162.1	165.3	77.6	0	0	0	0	111.4	E493 A494 K543	E493-S617 WeakPolarHBondContact OE1-CB 3.48Å; E493-S617 PolarHBondContact OE1-OG 3.32Å; A494-S617 WeakPolarHBondContact O-CA 3.31Å; A494-S617 WeakPolarHBondContact O-CB 3.47Å; K543-S617 WeakPolarHBondContact CE-OG 3.39Å; K543-S617 PolarHBondContact N-O 2.63Å; K543-S617 PolarHBondContact NZ-OG 3.14Å; K543-S617 PolarHBondContact O-N 3.24Å
618	L	98	Very high	94.5	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	116.1	176.7	-174.6	71.2	0	0	0	108.6	E493 A494 L515 V540 Q541 L558 W600 W616 L620	E493-L618 WeakPolarHBondContact CA-O 3.45Å; A494-L618 PolarHBondContact N-O 2.86Å; A494-L618 PolarHBondContact O-N 3.36Å; L515-L618 HydrophobicContact CD2-CB 3.7Å; L515-L618 HydrophobicContact CD2-CD2 4.42Å; V540-L618 HydrophobicContact CG1-CD1 3.52Å; V540-L618 HydrophobicContact CG1-CG 4.4Å; Q541-L618 WeakPolarHBondContact O-CA 3.12Å; L558-L618 HydrophobicContact CD1-CD1 4.46Å; L558-L618 HydrophobicContact CD2-CD1 3.8Å; W600-L618 HydrophobicContact CB-CD2 3.94Å; W600-L618 HydrophobicContact CD2-CD2 3.6Å; W600-L618 HydrophobicContact CE3-CD1 4.49Å; W600-L618 HydrophobicContact CE3-CD2 4.27Å; W600-L618 HydrophobicContact CG-CD2 3.42Å; W600-L618 VanDerWaalsContact CG-CD2 3.42Å; W616-L618 HydrophobicContact CZ3-CB 4.31Å; L618-L620 HydrophobicContact CD1-CD2 4.4Å; L618-L620 HydrophobicContact CD2-CD2 3.86Å; L618-L620 HydrophobicContact CD2-CG 4.36Å; L618-L620 HydrophobicContact CG-CD2 3.82Å; L618-L620 HydrophobicContact CG-CG 4.27Å
619	I	98.2	Very high	93.3	Very high	10 Å²	10	29.1 Å²	29.1	5%	0.051	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	118	175.9	-44.6	178.1	0	0	0	108.2	V491 C492 E493 Q541 K543 Y621	V491-I619 HydrophobicContact CG1-CG2 3.76Å; C492-I619 WeakPolarHBondContact O-CA 3.47Å; E493-I619 HydrophobicContact CB-CG1 4.48Å; E493-I619 HydrophobicContact CG-CG1 4.22Å; Q541-I619 HydrophobicContact CB-CB 4.32Å; Q541-I619 PolarHBondContact N-O 2.79Å; Q541-I619 PolarHBondContact O-N 2.92Å; K543-I619 HydrophobicContact CD-CD1 4.37Å; I619-Y621 HydrophobicContact CB-CE2 4.11Å; I619-Y621 HydrophobicContact CG2-CD2 4.28Å; I619-Y621 HydrophobicContact CG2-CE2 3.51Å
620	L	98.4	Very high	91.9	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	124	-179	-56.4	176.4	0	0	0	108.6	V491 C492 T517 V534 L537 V540 A596 W600 L618	V491-L620 WeakPolarHBondContact CA-O 3.29Å; C492-L620 HydrophobicContact CB-CB 4.31Å; C492-L620 PolarHBondContact N-O 3.07Å; C492-L620 PolarHBondContact O-N 2.91Å; T517-L620 HydrophobicContact CG2-CD1 4.02Å; V534-L620 HydrophobicContact CB-CB 4.49Å; V534-L620 HydrophobicContact CG1-CB 4.35Å; L537-L620 HydrophobicContact CD2-CB 4.09Å; L537-L620 HydrophobicContact CD2-CD2 3.92Å; L537-L620 HydrophobicContact CD2-CG 4.41Å; V540-L620 HydrophobicContact CB-CD2 4.45Å; V540-L620 HydrophobicContact CG1-CD2 3.93Å; V540-L620 HydrophobicContact CG2-CD2 3.86Å; A596-L620 HydrophobicContact CB-CD1 4.08Å; W600-L620 HydrophobicContact CZ2-CD2 4Å; L618-L620 HydrophobicContact CD1-CD2 4.4Å; L618-L620 HydrophobicContact CD2-CD2 3.86Å; L618-L620 HydrophobicContact CD2-CG 4.36Å; L618-L620 HydrophobicContact CG-CD2 3.82Å; L618-L620 HydrophobicContact CG-CG 4.27Å
621	Y	98.2	Very high	90	Very high	25 Å²	25	30.9 Å²	30.9	10%	0.098	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	146.1	171.5	-63.1	-91.8	0	0	0	109.3	I354 V491 E538 H539 Q541 I619	I354-Y621 HydrophobicContact CD1-CD1 3.61Å; I354-Y621 HydrophobicContact CD1-CD2 4.29Å; I354-Y621 HydrophobicContact CD1-CE1 3.38Å; I354-Y621 HydrophobicContact CD1-CE2 4.08Å; I354-Y621 HydrophobicContact CD1-CG 4.07Å; I354-Y621 HydrophobicContact CG2-CD2 4.4Å; I354-Y621 HydrophobicContact CG2-CE2 4.36Å; V491-Y621 HydrophobicContact CB-CE1 4.42Å; V491-Y621 HydrophobicContact CG1-CD1 4.19Å; V491-Y621 HydrophobicContact CG1-CE1 3.8Å; V491-Y621 HydrophobicContact CG2-CD1 3.71Å; V491-Y621 HydrophobicContact CG2-CE1 3.71Å; E538-Y621 PolarHBondContact N-O 3.06Å; H539-Y621 HydrophobicContact CB-CD2 4.13Å; H539-Y621 HydrophobicContact CB-CG 4.43Å; H539-Y621 WeakPolarHBondContact O-CB 3.36Å; H539-Y621 PolarHBondContact O-N 3.34Å; Q541-Y621 HydrophobicContact CG-CE2 4.44Å; I619-Y621 HydrophobicContact CB-CE2 4.11Å; I619-Y621 HydrophobicContact CG2-CD2 4.28Å; I619-Y621 HydrophobicContact CG2-CE2 3.51Å
622	G	97.3	Very high	87.6	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.8	-148	178.7	0	0	0	0	0	115.2	R490 H536	R490-G622 PolarHBondContact N-O 2.68Å; R490-G622 PolarHBondContact O-N 3.38Å; R490-G622 VanDerWaalsContact O-N 3.08Å; H536-G622 CarbonylContact O-C 3.55Å; H536-G622 WeakPolarHBondContact O-CA 3.3Å
623	T	96.1	Very high	84.9	Confident	0 Å²	0	38 Å²	38	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	151.8	-178.4	61.8	0	0	0	0	112.5	P487 V535 H536 T625	P487-T623 HydrophobicContact CB-CG2 3.87Å; P487-T623 HydrophobicContact CG-CG2 4.11Å; V535-T623 PolarHBondContact N-O 3.4Å; H536-T623 PolarHBondContact N-O 2.96Å; H536-T623 PolarHBondContact O-N 2.8Å; T623-T625 VanDerWaalsContact CB-O 3.32Å; T623-T625 WeakPolarHBondContact CB-O 3.29Å; T623-T625 PolarHBondContact OG1-O 3.33Å
624	N	93.3	Very high	82.3	Confident	36 Å²	36	40 Å²	40	19%	0.193	25%	0.25	C	S	.	.	S	Bend	trans	-87.6	-13.6	174	60.2	3.4	0	0	0	113.6	R490 L530 R533	R490-N624 HydrophobicContact CG-CB 4.29Å; L530-N624 PolarHBondContact O-ND2 3.24Å; L530-N624 VanDerWaalsContact O-ND2 3.09Å; R533-N624 HydrophobicContact CB-CB 4.41Å; R533-N624 WeakPolarHBondContact O-CB 3.35Å
625	T	91.4	Very high	79.7	Confident	69 Å²	69	41.3 Å²	41.3	42%	0.423	26%	0.257	S	S	.	.	S	Bend	trans	-121.3	157.2	172.1	53.5	0	0	0	0	110.5	P487 T623	P487-T625 VanDerWaalsContact CG-OG1 3.23Å; P487-T625 WeakPolarHBondContact CG-OG1 3.39Å; T623-T625 VanDerWaalsContact CB-O 3.32Å; T623-T625 WeakPolarHBondContact CB-O 3.29Å; T623-T625 PolarHBondContact OG1-O 3.33Å
626	P	88.9	Confident	77	Confident	92 Å²	92	49 Å²	49	60%	0.597	28%	0.282	S	S	*	.	P	Polyproline II helix	trans	-58.3	135.2	-179.4	-25	33.4	0	0	0	112.6
627	P	85.9	Confident	74.4	Confident	19 Å²	19	58.6 Å²	58.6	12%	0.123	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-64.6	164	167.5	29.2	-34.9	0	0	0	110.9	Y437 V486 S629	Y437-P627 HydrophobicContact CD1-CB 4.41Å; Y437-P627 HydrophobicContact CE1-CB 3.62Å; Y437-P627 HydrophobicContact CE1-CG 3.85Å; V486-P627 HydrophobicContact CG1-CB 4.32Å; P627-S629 PolarHBondContact O-N 2.78Å
628	P	83.1	Confident	71.5	Confident	29 Å²	29	60.4 Å²	60.4	19%	0.188	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-52	130.8	-177.3	-21.6	28.1	0	0	0	112.8	W483 T484 V486 V630	W483-P628 HydrophobicContact CH2-CB 4.19Å; W483-P628 HydrophobicContact CH2-CG 4.13Å; W483-P628 HydrophobicContact CZ2-CB 4.46Å; W483-P628 HydrophobicContact CZ2-CG 3.93Å; W483-P628 HydrophobicContact CZ3-CB 4.2Å; T484-P628 WeakPolarHBondContact O-CG 3.5Å; V486-P628 HydrophobicContact CG1-CG 4.42Å; P628-V630 PolarHBondContact O-N 3.27Å
629	S	68.9	Low	68.4	Low	117 Å²	117	64.9 Å²	64.9	82%	0.818	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-73.7	116.1	179	51.1	0	0	0	0	110.9	P627	P627-S629 PolarHBondContact O-N 2.78Å
630	V	65.2	Low	65.2	Low	24 Å²	24	75.8 Å²	75.8	15%	0.145	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-63.4	130.1	174.6	-158.2	0	0	0	0	109.2	Y441 L479 P628 S632 S634	Y441-V630 HydrophobicContact CD2-CG2 3.12Å; Y441-V630 HydrophobicContact CE2-CG2 3.37Å; Y441-V630 HydrophobicContact CG-CG2 3.86Å; L479-V630 HydrophobicContact CD1-CG1 3.91Å; L479-V630 HydrophobicContact CD2-CG1 4.25Å; P628-V630 PolarHBondContact O-N 3.27Å; V630-S632 PolarHBondContact O-N 3.29Å; V630-S634 WeakPolarHBondContact CG1-OG 3.43Å
631	P	56.4	Low	62	Low	79 Å²	79	83.8 Å²	83.8	51%	0.513	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-53.9	127.9	172.6	-27.9	35.8	0	0	0	110.8	S633 S634	P631-S633 PolarHBondContact O-N 3.37Å; P631-S634 VanDerWaalsContact O-CB 3.31Å; P631-S634 WeakPolarHBondContact O-CB 3.45Å; P631-S634 PolarHBondContact O-N 3.19Å; P631-S634 PolarHBondContact O-OG 3.07Å
632	S	44.3	Very low	58.7	Low	98 Å²	98	90 Å²	90	69%	0.685	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-8.5	-172.2	60.7	0	0	0	0	114.8	V630 S634	V630-S632 PolarHBondContact O-N 3.29Å; S632-S634 VanDerWaalsContact C-N 3.31Å
633	S	38.5	Very low	55.5	Low	72 Å²	72	95.3 Å²	95.3	50%	0.503	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-27.5	167.9	51.3	0	0	0	0	113.6	P631 R636	P631-S633 PolarHBondContact O-N 3.37Å; S633-R636 PolarHBondContact O-N 3.39Å
634	S	42.1	Very low	52.4	Low	42 Å²	42	106 Å²	106	29%	0.294	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-58	-57.7	175.9	56.1	0	0	0	0	111.7	V630 P631 S632 R636 R637	V630-S634 WeakPolarHBondContact CG1-OG 3.43Å; P631-S634 VanDerWaalsContact O-CB 3.31Å; P631-S634 WeakPolarHBondContact O-CB 3.45Å; P631-S634 PolarHBondContact O-N 3.19Å; P631-S634 PolarHBondContact O-OG 3.07Å; S632-S634 VanDerWaalsContact C-N 3.31Å; S634-R636 PolarHBondContact O-N 3.02Å; S634-R637 PolarHBondContact O-N 3.46Å
635	H	40.9	Very low	49.5	Very low	104 Å²	104	111.6 Å²	111.6	48%	0.481	58%	0.581	S	S	.	*	H	α-helix	trans	-60.4	-22.1	-176.9	-70.5	43	0	0	0	112.4	V639	H635-V639 VanDerWaalsContact O-CG2 3.26Å; H635-V639 WeakPolarHBondContact O-CG2 3.28Å
636	R	38.2	Very low	46.8	Very low	210 Å²	210	116.8 Å²	116.8	79%	0.792	60%	0.6	S	S	*	*	H	α-helix	trans	-88.8	-4.4	178.3	-65.6	-170.1	-179.6	-162.4	1.2	114.9	S633 S634	S633-R636 PolarHBondContact O-N 3.39Å; S634-R636 PolarHBondContact O-N 3.02Å
637	R	42.1	Very low	44	Very low	204 Å²	204	121.4 Å²	121.4	77%	0.77	61%	0.614	S	S	*	*	H	α-helix	trans	-91	-24.6	178	-75.5	-173.5	175.8	-179.4	1.2	114.3	S634	S634-R637 PolarHBondContact O-N 3.46Å
638	G	35.6	Very low	41.6	Very low	39 Å²	39	125.7 Å²	125.7	40%	0.402	64%	0.644	S	S	.	*	H	α-helix	trans	-80.4	-48.4	165.8	0	0	0	0	0	112.4	R640	G638-R640 VanDerWaalsContact C-N 3.29Å; G638-R640 PolarHBondContact O-N 3Å
639	V	33.9	Very low	39.1	Very low	94 Å²	94	131 Å²	131	57%	0.57	67%	0.671	S	S	*	*			trans	-72.2	74.6	-169.2	-173.6	0	0	0	0	113.4	H635 Q641	H635-V639 VanDerWaalsContact O-CG2 3.26Å; H635-V639 WeakPolarHBondContact O-CG2 3.28Å; V639-Q641 HydrophobicContact CG1-CG 3.9Å
640	R	31.1	Very low	37.3	Very low	238 Å²	238	132.2 Å²	132.2	90%	0.898	68%	0.676	S	S	*	*			trans	-88.5	90.3	146.1	-88.8	-168.8	167.6	-136.2	-4.2	108.2	G638 L642	G638-R640 VanDerWaalsContact C-N 3.29Å; G638-R640 PolarHBondContact O-N 3Å; R640-L642 PolarHBondContact O-N 3.42Å
641	Q	30.2	Very low	35.7	Very low	169 Å²	169	135.6 Å²	135.6	79%	0.79	70%	0.701	S	S	*	*			trans	-53.4	115.3	162.3	-70.4	179.4	-7.2	0	0	108.5	V639	V639-Q641 HydrophobicContact CG1-CG 3.9Å
642	L	28.7	Very low	34.7	Very low	156 Å²	156	138.3 Å²	138.3	82%	0.817	72%	0.716	S	S	*	*			trans	-57.4	139.3	156.5	-73	170.5	0	0	0	107.1	R640 R644	R640-L642 PolarHBondContact O-N 3.42Å; L642-R644 PolarHBondContact O-N 2.97Å; L642-R644 VanDerWaalsContact O-N 3.08Å
643	P	30.1	Very low	34.1	Very low	110 Å²	110	143.5 Å²	143.5	71%	0.714	73%	0.726	S	S	*	*			trans	-58	120.9	-171.6	22.8	-33.2	0	0	0	110	N645	P643-N645 PolarHBondContact O-N 2.91Å
644	R	31.4	Very low	33.9	Very low	225 Å²	225	145.5 Å²	145.5	85%	0.849	74%	0.74	S	S	*	*			trans	-59.4	103.5	177.8	-166.5	-175.3	-150	-179.2	6.3	108.2	L642 Q646	L642-R644 PolarHBondContact O-N 2.97Å; L642-R644 VanDerWaalsContact O-N 3.08Å; R644-Q646 PolarHBondContact O-N 3.5Å; R644-Q646 VanDerWaalsContact O-N 3.14Å
645	N	33.1	Very low	33.3	Very low	154 Å²	154	152.6 Å²	152.6	82%	0.824	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-54.1	122.5	172	-87.1	-17.3	0	0	0	107.8	P643 E647	P643-N645 PolarHBondContact O-N 2.91Å; N645-E647 PolarHBondContact O-N 3.4Å
646	Q	33.8	Very low	33.1	Very low	177 Å²	177	157.5 Å²	157.5	83%	0.827	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-67.6	130.8	-175.1	-70.2	-179.7	-54.6	0	0	110.1	R644 S648	R644-Q646 PolarHBondContact O-N 3.5Å; R644-Q646 VanDerWaalsContact O-N 3.14Å; Q646-S648 PolarHBondContact O-N 3.43Å; Q646-S648 PolarHBondContact O-OG 3.46Å
647	E	30.4	Very low	32.8	Very low	189 Å²	189	153.1 Å²	153.1	88%	0.883	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-55.9	119.9	175.8	-65.6	165.1	133.2	0	0	109.4	N645	N645-E647 PolarHBondContact O-N 3.4Å
648	S	34.7	Very low	32	Very low	110 Å²	110	155.5 Å²	155.5	77%	0.769	79%	0.794	S	S	*	*			trans	-131.1	95.1	-179.6	28.3	0	0	0	0	109.6	Q646	Q646-S648 PolarHBondContact O-N 3.43Å; Q646-S648 PolarHBondContact O-OG 3.46Å
649	N	31.7	Very low	31.8	Very low	140 Å²	140	160.3 Å²	160.3	75%	0.749	81%	0.81	S	S	*	*			trans	28.7	110.3	165.9	-70.3	-21.3	0	0	0	118.3	S651	N649-S651 PolarHBondContact O-N 3.49Å
650	P	30.6	Very low	31.8	Very low	143 Å²	143	161.7 Å²	161.7	93%	0.929	81%	0.813	S	S	*	*	S	Bend	trans	-70.9	87.2	172.6	30.9	-34.7	0	0	0	111.8
651	S	32.2	Very low	32	Very low	94 Å²	94	156.4 Å²	156.4	66%	0.657	81%	0.81	S	S	*	*			trans	-152.8	160.8	167.4	68.7	0	0	0	0	110.9	N649	N649-S651 PolarHBondContact O-N 3.49Å
652	V	34.9	Very low	32.4	Very low	136 Å²	136	154.9 Å²	154.9	82%	0.824	80%	0.803	S	S	*	*			trans	72	108.1	-172.6	-170.6	0	0	0	0	114.5
653	K	32.1	Very low	32.6	Very low	207 Å²	207	156 Å²	156	90%	0.9	80%	0.802	S	S	*	*			trans	-75.7	135.6	169.4	-60.4	173.3	179.1	178	0	110.1
654	S	33.7	Very low	32.9	Very low	114 Å²	114	157 Å²	157	80%	0.797	80%	0.801	S	S	*	*			trans	-153.5	141	150.8	63.4	0	0	0	0	110.8
655	Q	30	Very low	33.2	Very low	191 Å²	191	153.6 Å²	153.6	89%	0.893	79%	0.792	S	S	*	*			trans	-77.6	141.1	175.9	-67.4	154.4	-82.9	0	0	110.2
656	K	36.2	Very low	33.2	Very low	207 Å²	207	155.4 Å²	155.4	90%	0.9	79%	0.793	S	S	*	*			trans	-148.2	132.4	152.1	-112.4	163.8	-172.3	173.7	0	110.4
657	T	31.7	Very low	33.3	Very low	119 Å²	119	154.6 Å²	154.6	73%	0.73	79%	0.789	S	S	*	*			trans	-76	146.5	-178.1	46.2	0	0	0	0	111.4
658	W	25.1	Very low	33.5	Very low	253 Å²	253	151.3 Å²	151.3	96%	0.958	79%	0.787	S	S	*	*			trans	-60.8	145.6	160.7	-83.2	82	0	0	0	110.4
659	I	33.2	Very low	33.7	Very low	141 Å²	141	151.7 Å²	151.7	72%	0.723	79%	0.787	S	S	*	*			trans	-134.8	130.1	172.5	-63.4	-179.2	0	0	0	107.7
660	D	33.3	Very low	33.8	Very low	122 Å²	122	154.5 Å²	154.5	65%	0.652	79%	0.792	S	S	*	*			trans	-69.8	127.7	177.9	170.8	28.4	0	0	0	111.9	Q662	D660-Q662 PolarHBondContact O-N 3.04Å
661	P	34.2	Very low	34	Very low	128 Å²	128	154 Å²	154	83%	0.831	79%	0.787	S	S	*	*			trans	-86.3	64.3	177.4	36.5	-36.3	0	0	0	113.5
662	Q	39.1	Very low	34.2	Very low	136 Å²	136	154.6 Å²	154.6	64%	0.636	79%	0.791	S	S	*	*			trans	-117	132.6	160.2	-79	-146	19.6	0	0	113.6	D660	D660-Q662 PolarHBondContact O-N 3.04Å
663	K	33	Very low	34.3	Very low	181 Å²	181	156.9 Å²	156.9	79%	0.787	79%	0.793	S	S	*	*			trans	64.8	94.9	162	-61.5	166.6	-172.5	162.8	0	117.6
664	D	35.5	Very low	34.2	Very low	130 Å²	130	155.6 Å²	155.6	70%	0.695	79%	0.79	S	S	*	*			trans	-161.1	146.9	146.2	-111.8	-18.9	0	0	0	107.5
665	K	37.7	Very low	34.5	Very low	154 Å²	154	154.1 Å²	154.1	67%	0.67	78%	0.777	S	S	*	*			cis	-162.1	144.9	1.5	-149.3	153	-148.5	138.3	0	108.7
666	F	34.5	Very low	34.7	Very low	192 Å²	192	152.6 Å²	152.6	84%	0.842	77%	0.771	S	S	*	*			trans	-161.8	94.7	140.5	-116.1	-70	0	0	0	112.8
667	Q	35.8	Very low	34.7	Very low	159 Å²	159	149.1 Å²	149.1	74%	0.743	76%	0.757	S	S	*	*			trans	20.7	128	148.1	-59.2	170.3	-10.3	0	0	118.4
668	S	34.9	Very low	34.9	Very low	120 Å²	120	151.7 Å²	151.7	84%	0.839	76%	0.759	S	S	*	*				-166.3	164.8	70.4	36.4	0	0	0	0	113.4
669	P	38	Very low	35.1	Very low	118 Å²	118	144.4 Å²	144.4	77%	0.766	75%	0.746	S	S	*	*			trans	-124	170.8	-150.2	42.5	-31.5	0	0	0	117
670	K	34.8	Very low	35.1	Very low	199 Å²	199	145.9 Å²	145.9	87%	0.865	75%	0.754	S	S	*	*			trans	-162.7	136.1	151	-113.2	167.7	-173	178.8	0	114.1
671	T	34.7	Very low	35	Very low	133 Å²	133	148.5 Å²	148.5	82%	0.816	76%	0.762	S	S	*	*			trans	55.1	115.3	163.1	33.3	0	0	0	0	119.5
672	S	35.8	Very low	34.9	Very low	106 Å²	106	149.6 Å²	149.6	74%	0.741	77%	0.767	S	S	*	*				73.8	134	74	-121.7	0	0	0	0	113.8
673	Q	37.1	Very low	34.5	Very low	184 Å²	184	148.1 Å²	148.1	86%	0.86	77%	0.771	S	S	*	*			cis	-134.2	-159.2	16.8	-72.2	-178	-9.7	0	0	114.3
674	Q	30.8	Very low	34.4	Very low	181 Å²	181	149 Å²	149	85%	0.846	78%	0.775	S	S	*	*			trans	-151.5	-174.3	-160.2	-108.3	-161.7	-3.1	0	0	109.5
675	P	39.2	Very low	34.1	Very low	82 Å²	82	150.8 Å²	150.8	53%	0.532	78%	0.779	S	S	.	*			cis	-144.3	-165.1	-40.6	42.6	-24.7	0	0	0	114.1
676	Q	34.5	Very low	33.7	Very low	160 Å²	160	154.7 Å²	154.7	75%	0.748	79%	0.791	S	S	*	*			trans	70.2	156.6	153	-72.9	173.4	36.2	0	0	117.9
677	Q	36.9	Very low	33.5	Very low	134 Å²	134	150.1 Å²	150.1	63%	0.626	78%	0.783	S	S	*	*			cis	-148.9	-179.1	4.4	-129.7	174.9	83.3	0	0	107.5
678	K	34.6	Very low	33.2	Very low	173 Å²	173	149.3 Å²	149.3	75%	0.752	78%	0.783	S	S	*	*			cis	-147.9	-131.2	11	-156.5	-178.1	-169	91.8	0	111.2
679	S	29.7	Very low	33	Very low	100 Å²	100	149.8 Å²	149.8	70%	0.699	78%	0.776	S	S	*	*			trans	-165.6	149.3	-170.2	56.1	0	0	0	0	113.6
680	I	33.8	Very low	32.8	Very low	171 Å²	171	149.5 Å²	149.5	88%	0.877	78%	0.777	S	S	*	*			trans	-143.7	145.4	157.7	-63.3	-173.9	0	0	0	108.9
681	E	30.5	Very low	32.7	Very low	177 Å²	177	145.7 Å²	145.7	83%	0.827	77%	0.77	S	S	*	*			trans	-110.7	155.9	177.8	-56.5	174.4	111.4	0	0	112.3
682	T	32.3	Very low	32.7	Very low	152 Å²	152	146.4 Å²	146.4	93%	0.933	77%	0.768	S	S	*	*			trans	-170.1	170.3	136.1	9.6	0	0	0	0	111.6
683	S	29.5	Very low	32.5	Very low	104 Å²	104	148.3 Å²	148.3	73%	0.727	77%	0.77	S	S	*	*			trans	-136.9	151.5	-167.7	60.1	0	0	0	0	114
684	K	31.3	Very low	32.7	Very low	200 Å²	200	145 Å²	145	87%	0.87	76%	0.764	S	S	*	*			trans	-176.5	172	141.9	-103.4	157.5	-172.8	178	0	113.6
685	H	29.2	Very low	32.9	Very low	168 Å²	168	144.2 Å²	144.2	78%	0.778	76%	0.764	S	S	*	*			trans	-61.7	164.8	176.5	-63.6	-118.5	0	0	0	113.2
686	Y	30	Very low	32.7	Very low	236 Å²	236	147.5 Å²	147.5	93%	0.925	77%	0.772	S	S	*	*				-164.5	-172.3	112.9	-108.5	-69.9	0	0	0	112.2
687	S	29.2	Very low	32.7	Very low	95 Å²	95	147.5 Å²	147.5	66%	0.664	77%	0.772	S	S	*	*			trans	-150.9	152.3	-168.8	-178.3	0	0	0	0	110.9
688	L	29.6	Very low	32.7	Very low	142 Å²	142	148.6 Å²	148.6	74%	0.743	78%	0.777	S	S	*	*			trans	65.8	129.8	172.7	-96.2	73.8	0	0	0	119
689	D	31.2	Very low	32.7	Very low	131 Å²	131	147 Å²	147	70%	0.701	78%	0.777	S	S	*	*			trans	55.9	115	131	-54.8	-7.4	0	0	0	123.3
690	S	33.2	Very low	33	Very low	112 Å²	112	146.2 Å²	146.2	78%	0.783	78%	0.784	S	S	*	*				92.1	157.9	123.4	77.3	0	0	0	0	122.5
691	V	33.9	Very low	32.9	Very low	119 Å²	119	144.8 Å²	144.8	72%	0.721	78%	0.778	S	S	*	*			trans	78.2	90.2	163.1	-169.1	0	0	0	0	119.8
692	L	33.5	Very low	33.3	Very low	147 Å²	147	144.5 Å²	144.5	77%	0.77	78%	0.777	S	S	*	*				52.2	130.9	124.5	-66.1	168.2	0	0	0	124.3
693	N	33.5	Very low	33.3	Very low	147 Å²	147	141.1 Å²	141.1	79%	0.786	77%	0.773	S	S	*	*			trans	107.5	146.7	132.2	-77.2	-2.8	0	0	0	122.4
694	P	40	Very low	33.3	Very low	113 Å²	113	141.8 Å²	141.8	73%	0.734	78%	0.777	S	S	*	*			trans	-130.8	165.1	-159.5	41.7	-24	0	0	0	116.7
695	I	34.9	Very low	33.5	Very low	165 Å²	165	142.2 Å²	142.2	85%	0.846	78%	0.779	S	S	*	*			trans	-143.9	115.2	163.2	-58.2	-176.3	0	0	0	112.2
696	H	34.5	Very low	33.4	Very low	152 Å²	152	137.9 Å²	137.9	70%	0.704	78%	0.78	S	S	*	*			trans	22.4	154.1	139.9	-90.7	-125	0	0	0	126.8
697	E	35.7	Very low	33.4	Very low	160 Å²	160	131.7 Å²	131.7	75%	0.748	77%	0.771	S	S	*	*			trans	74.7	141.3	148	-74.9	151.9	-141.4	0	0	119.7
698	E	35.8	Very low	33.4	Very low	156 Å²	156	132.9 Å²	132.9	73%	0.729	78%	0.779	S	S	*	*			cis	-159.1	157.1	-6.2	-138.9	-167.5	-179.3	0	0	113.7
699	N	35.4	Very low	33.4	Very low	140 Å²	140	133.4 Å²	133.4	75%	0.749	78%	0.778	S	S	*	*			trans	50.6	126.5	151.5	-67.4	-30	0	0	0	124.5
700	G	35.1	Very low	33.3	Very low	83 Å²	83	135 Å²	135	86%	0.856	79%	0.786	S	S	*	*			trans	174.1	129.8	162.5	0	0	0	0	0	112.4
701	D	33.5	Very low	33	Very low	141 Å²	141	136.2 Å²	136.2	75%	0.754	78%	0.78	S	S	*	*			trans	-115	164.4	-158	-160.7	-7.4	0	0	0	115.3
702	H	38	Very low	32.7	Very low	171 Å²	171	137.8 Å²	137.8	79%	0.792	78%	0.784	S	S	*	*			trans	82.2	118.5	165.5	-54.1	-14.3	0	0	0	119.4
703	G	32.4	Very low	32.4	Very low	82 Å²	82	136.3 Å²	136.3	85%	0.845	79%	0.786	S	S	*	*			trans	159.3	64.9	164.2	0	0	0	0	0	117.2	F705	G703-F705 PolarHBondContact O-N 3.38Å
704	S	30.4	Very low	32.3	Very low	118 Å²	118	137.6 Å²	137.6	83%	0.825	78%	0.781	S	S	*	*			trans	-66.3	122.6	-175.8	-178.3	0	0	0	0	115
705	F	33.7	Very low	31.8	Very low	209 Å²	209	137.7 Å²	137.7	92%	0.917	78%	0.782	S	S	*	*			trans	-153.1	126.3	137.9	-118.1	-81.3	0	0	0	109	G703	G703-F705 PolarHBondContact O-N 3.38Å
706	G	27.8	Very low	31.6	Very low	77 Å²	77	140.3 Å²	140.3	79%	0.794	78%	0.783	S	S	*	*			trans	-78.6	132.1	-160	0	0	0	0	0	116.2
707	S	29.5	Very low	31.5	Very low	105 Å²	105	137.5 Å²	137.5	73%	0.734	78%	0.778	S	S	*	*			trans	-86.1	129.1	159.9	50.6	0	0	0	0	110.6	E709	S707-E709 PolarHBondContact O-N 3.41Å
708	S	29.1	Very low	31	Very low	120 Å²	120	135.6 Å²	135.6	84%	0.839	78%	0.78	S	S	*	*			trans	-74.3	105.3	170.1	58.6	0	0	0	0	110.3
709	E	29.7	Very low	30.7	Very low	154 Å²	154	137 Å²	137	72%	0.72	78%	0.784	S	S	*	*			trans	-74.8	163.6	174.4	-64	-174.9	114.5	0	0	112.7	S707 Q711	S707-E709 PolarHBondContact O-N 3.41Å; E709-Q711 PolarHBondContact O-N 2.75Å
710	N	29.4	Very low	30.3	Very low	163 Å²	163	138.5 Å²	138.5	87%	0.872	78%	0.78	S	S	*	*			trans	-66.9	111.3	165.6	-76.7	-9.6	0	0	0	109.6
711	Q	26.4	Very low	29.8	Very low	139 Å²	139	145.6 Å²	145.6	65%	0.65	78%	0.783	S	S	*	*			trans	-155.5	100.2	164.1	-119.4	169.3	82.5	0	0	110.9	E709	E709-Q711 PolarHBondContact O-N 2.75Å
712	N	29.2	Very low	29.5	Very low	152 Å²	152	145.2 Å²	145.2	81%	0.813	78%	0.78	S	S	*	*			trans	-155.5	58.1	158.7	-119.2	-5.1	0	0	0	110.7
713	S	26.8	Very low	28.8	Very low	115 Å²	115	144.8 Å²	144.8	80%	0.804	78%	0.783	S	S	*	*			trans	-109.9	95.2	166.8	-55.5	0	0	0	0	107.5
714	Y	30.2	Very low	28.5	Very low	175 Å²	175	146.4 Å²	146.4	69%	0.686	77%	0.773	S	S	*	*			trans	-130.4	138.7	176.6	-79.5	-70.6	0	0	0	111.3
715	P	31.1	Very low	28.4	Very low	115 Å²	115	149.2 Å²	149.2	75%	0.747	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-97.4	150.5	-158.5	36.9	-36.3	0	0	0	114.2
716	Y	30.7	Very low	28	Very low	220 Å²	220	145.3 Å²	145.3	86%	0.863	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-98.8	157.1	154	-83.2	-81.8	0	0	0	110.1
717	P	31	Very low	27.9	Very low	92 Å²	92	147.1 Å²	147.1	60%	0.597	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-74.5	157.1	-156	28.6	-36	0	0	0	114.2	F719	P717-F719 PolarHBondContact O-N 3.09Å; P717-F719 VanDerWaalsContact O-N 3.16Å
718	P	26.7	Very low	27.8	Very low	121 Å²	121	150.4 Å²	150.4	79%	0.786	76%	0.759	S	S	*	*			trans	-69.7	111.8	-177.1	28.6	-35.1	0	0	0	111.7
719	F	29.1	Very low	27.9	Very low	186 Å²	186	155.9 Å²	155.9	82%	0.816	76%	0.762	S	S	*	*			trans	-76.4	144.8	160.2	-81.8	-84.6	0	0	0	110.4	P717 Y721	P717-F719 PolarHBondContact O-N 3.09Å; P717-F719 VanDerWaalsContact O-N 3.16Å; F719-Y721 PolarHBondContact O-N 3.22Å
720	Y	26.5	Very low	27.7	Very low	171 Å²	171	158.2 Å²	158.2	67%	0.671	77%	0.765	S	S	*	*			trans	-72.1	125.7	-164.1	-78.3	-106.3	0	0	0	112.3	L722	Y720-L722 VanDerWaalsContact C-N 3.31Å; Y720-L722 PolarHBondContact O-N 3.22Å
721	Y	24.2	Very low	27.7	Very low	232 Å²	232	154.2 Å²	154.2	91%	0.91	74%	0.738	S	S	*	*			trans	-62.5	90.1	161.5	-86.2	-85.7	0	0	0	110.3	F719 N723	F719-Y721 PolarHBondContact O-N 3.22Å; Y721-N723 PolarHBondContact O-N 3.15Å
722	L	26.8	Very low	27.8	Very low	133 Å²	133	150 Å²	150	70%	0.696	72%	0.723	S	S	*	*			trans	-75.5	101.1	161.7	-102.4	169.1	0	0	0	108.4	Y720 N724	Y720-L722 VanDerWaalsContact C-N 3.31Å; Y720-L722 PolarHBondContact O-N 3.22Å; L722-N724 PolarHBondContact O-N 2.71Å
723	N	24.9	Very low	27.8	Very low	161 Å²	161	148 Å²	148	86%	0.861	72%	0.716	S	S	*	*			trans	-58.4	102	-178.1	-144	-0	0	0	0	110.3	Y721	Y721-N723 PolarHBondContact O-N 3.15Å
724	N	25.9	Very low	27.8	Very low	117 Å²	117	148.8 Å²	148.8	63%	0.626	70%	0.702	S	S	*	*			trans	-142.9	106	-176.8	-160.9	5.4	0	0	0	109.5	L722 N726	L722-N724 PolarHBondContact O-N 2.71Å; N724-N726 PolarHBondContact O-N 3.15Å
725	Q	27.1	Very low	28.1	Very low	177 Å²	177	143 Å²	143	83%	0.827	68%	0.683	S	S	*	*	S	Bend	trans	-76.6	42.5	-172.8	-59.2	178.2	-73.6	0	0	112.7
726	N	26.4	Very low	28	Very low	127 Å²	127	145.3 Å²	145.3	68%	0.679	69%	0.688	S	S	*	*			trans	-143.7	24.3	-166.3	-84.5	-51.3	0	0	0	113.9	N724 Y728	N724-N726 PolarHBondContact O-N 3.15Å; N726-Y728 PolarHBondContact O-N 3.36Å
727	S	25.9	Very low	27.9	Very low	114 Å²	114	140.3 Å²	140.3	80%	0.797	67%	0.673	S	S	*	*			trans	-78.1	15.4	169.7	53.8	0	0	0	0	113.8	R729	S727-R729 VanDerWaalsContact C-N 3.27Å; S727-R729 PolarHBondContact O-N 3.26Å
728	Y	27.2	Very low	27.8	Very low	174 Å²	174	142.7 Å²	142.7	68%	0.682	67%	0.671	S	S	*	*			trans	-76.3	72.8	169.2	-70.6	-77.3	0	0	0	111.1	N726 Y730	N726-Y728 PolarHBondContact O-N 3.36Å; Y728-Y730 PolarHBondContact O-N 3.21Å
729	R	30	Very low	27.9	Very low	236 Å²	236	145.7 Å²	145.7	89%	0.891	68%	0.675	S	S	*	*			trans	-86.3	88.2	169.7	-93.5	-170.7	171.9	-174.8	-1	111	S727	S727-R729 VanDerWaalsContact C-N 3.27Å; S727-R729 PolarHBondContact O-N 3.26Å
730	Y	27.3	Very low	27.8	Very low	202 Å²	202	141.5 Å²	141.5	79%	0.792	67%	0.668	S	S	*	*			trans	19.2	109	151.8	-78.4	-95.9	0	0	0	116.9	Y728 P732	Y728-Y730 PolarHBondContact O-N 3.21Å; Y730-P732 VanDerWaalsContact O-CD 3.24Å; Y730-P732 WeakPolarHBondContact O-CD 3.49Å
731	W	28.1	Very low	27.9	Very low	79 Å²	79	140.2 Å²	140.2	30%	0.299	67%	0.672	S	S	.	*			trans	-74.3	107.7	137.7	-76.9	93.5	0	0	0	107.3	W584	W584-W731 HydrophobicContact CE3-CZ2 4.23Å; W584-W731 AromaticContact CE3-NE1 3.73Å; W584-W731 HydrophobicContact CH2-CZ2 4.02Å; W584-W731 AromaticContact CZ3-CE2 3.67Å; W584-W731 AromaticContact CZ3-CZ2 3.52Å; W584-W731 HydrophobicContact CZ3-CZ2 3.52Å; W584-W731 AromaticContact CZ3-NE1 3.49Å
732	P	28.1	Very low	28	Very low	51 Å²	51	133.9 Å²	133.9	33%	0.331	66%	0.662	S	S	.	*			trans	-82.6	132.1	-179.1	35.8	-33.4	0	0	0	109.5	Y730 W734	Y730-P732 VanDerWaalsContact O-CD 3.24Å; Y730-P732 WeakPolarHBondContact O-CD 3.49Å; P732-W734 PolarHBondContact O-N 3.41Å
733	T	29	Very low	28.1	Very low	111 Å²	111	133.6 Å²	133.6	68%	0.681	67%	0.668	S	S	*	*			trans	-71.7	106.6	176.3	48.7	0	0	0	0	111
734	W	27.4	Very low	28.4	Very low	131 Å²	131	132 Å²	132	50%	0.496	66%	0.664	S	S	.	*			trans	-123.2	81.7	-179.9	-79.2	79	0	0	0	113.2	P732 E737	P732-W734 PolarHBondContact O-N 3.41Å; W734-E737 HydrophobicContact CZ3-CG 4.24Å; W734-E737 WeakPolarHBondContact CZ3-OE2 3.38Å
735	N	36.5	Very low	28.6	Very low	54 Å²	54	135 Å²	135	29%	0.289	67%	0.674	S	S	.	*			trans	-122.2	-5.9	158.8	-86.9	-20.5	0	0	0	113.2	E493 E737	E493-N735 PolarHBondContact OE2-ND2 2.7Å; N735-E737 VanDerWaalsContact C-N 3.3Å; N735-E737 PolarHBondContact O-N 3.35Å
736	N	28.8	Very low	28.9	Very low	162 Å²	162	130.7 Å²	130.7	87%	0.866	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	11.5	-172.2	-75.5	10	0	0	0	116
737	E	28.2	Very low	29.3	Very low	116 Å²	116	130.4 Å²	130.4	54%	0.542	67%	0.674	S	S	.	*	T	Hydrogen-bonded Turn	trans	-110.5	7.9	172.5	-78	-168.9	165.7	0	0	113.8	W734 N735 Q739	W734-E737 HydrophobicContact CZ3-CG 4.24Å; W734-E737 WeakPolarHBondContact CZ3-OE2 3.38Å; N735-E737 VanDerWaalsContact C-N 3.3Å; N735-E737 PolarHBondContact O-N 3.35Å; E737-Q739 PolarHBondContact O-N 3.1Å
738	Y	30.8	Very low	29.8	Very low	142 Å²	142	132.8 Å²	132.8	56%	0.557	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	9.3	177.1	-111.4	-79.9	0	0	0	115	H532	H532-Y738 AromaticContact CE1-CD1 3.58Å; H532-Y738 AromaticContact CE1-CG 3.86Å
739	Q	28.3	Very low	30.4	Very low	184 Å²	184	129.6 Å²	129.6	86%	0.86	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.9	20.9	-173	-67.8	-167.7	-18.7	0	0	115.3	E737	E737-Q739 PolarHBondContact O-N 3.1Å
740	S	27.5	Very low	31.4	Very low	97 Å²	97	123.8 Å²	123.8	68%	0.678	67%	0.67	S	S	*	*	S	Bend	trans	-152.3	12.8	176.8	61.1	0	0	0	0	118
741	L	26.7	Very low	32.5	Very low	144 Å²	144	119.7 Å²	119.7	75%	0.754	67%	0.668	S	S	*	*			trans	-115.4	100.4	178.6	-69.2	176.4	0	0	0	113
742	S	27.4	Very low	33.3	Very low	100 Å²	100	121.4 Å²	121.4	70%	0.699	69%	0.689	S	S	*	*			trans	-51.9	153	163.6	-59.3	0	0	0	0	111.5	V744	S742-V744 PolarHBondContact O-N 3.01Å
743	P	29.3	Very low	34.5	Very low	126 Å²	126	124.5 Å²	124.5	82%	0.818	71%	0.709	S	S	*	*			trans	-61	106.9	179.6	25.5	-34.7	0	0	0	110.9	Q745	P743-Q745 PolarHBondContact O-N 2.94Å; P743-Q745 VanDerWaalsContact O-N 3.12Å
744	V	30.9	Very low	35.7	Very low	127 Å²	127	124.6 Å²	124.6	77%	0.77	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-59.1	116.6	170.5	178.2	0	0	0	0	107.4	S742 A746	S742-V744 PolarHBondContact O-N 3.01Å; V744-A746 PolarHBondContact O-N 3.14Å; V744-A746 VanDerWaalsContact O-N 3.15Å
745	Q	30	Very low	36.8	Very low	182 Å²	182	123.6 Å²	123.6	85%	0.85	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-58.4	122.8	174.5	-72.5	178.3	-86	0	0	108.4	P743	P743-Q745 PolarHBondContact O-N 2.94Å; P743-Q745 VanDerWaalsContact O-N 3.12Å
746	A	33.5	Very low	37.4	Very low	86 Å²	86	126.9 Å²	126.9	71%	0.711	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-52.7	133.2	175.4	0	0	0	0	0	109.2	V744 L748	V744-A746 PolarHBondContact O-N 3.14Å; V744-A746 VanDerWaalsContact O-N 3.15Å; A746-L748 PolarHBondContact O-N 3.17Å
747	P	35	Very low	38.2	Very low	120 Å²	120	126.2 Å²	126.2	78%	0.779	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-53.1	132.3	177	-25.5	33.8	0	0	0	109.9
748	L	36.8	Very low	38.8	Very low	164 Å²	164	125.9 Å²	125.9	86%	0.859	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-54.4	131.7	173.3	-77.1	168.5	0	0	0	108.4	A746	A746-L748 PolarHBondContact O-N 3.17Å
749	P	39.2	Very low	39.1	Very low	107 Å²	107	125.4 Å²	125.4	70%	0.695	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-59.1	141.8	-178.8	25	-33.9	0	0	0	109.4
750	P	50.9	Low	39.5	Very low	115 Å²	115	122.8 Å²	122.8	75%	0.747	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-56.6	144	177.7	24.7	-33.9	0	0	0	109.7
751	P	49.5	Very low	39.8	Very low	116 Å²	116	123.5 Å²	123.5	75%	0.753	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-58	145	179.3	25.4	-34.2	0	0	0	110
752	P	45.8	Very low	40.2	Very low	114 Å²	114	122.9 Å²	122.9	74%	0.74	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-58.1	144.9	178.9	25.8	-34.5	0	0	0	110
753	P	53.3	Low	40.5	Very low	116 Å²	116	125.8 Å²	125.8	75%	0.753	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-56.7	144.7	177.4	24.9	-34.2	0	0	0	110
754	P	53.4	Low	40.9	Very low	113 Å²	113	125.4 Å²	125.4	73%	0.734	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-57.8	145.9	179.9	25	-34.1	0	0	0	110.2
755	P	51.3	Low	41.1	Very low	111 Å²	111	127.1 Å²	127.1	72%	0.721	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-57	144.4	176.4	26.2	-34.7	0	0	0	109.5	I757	P755-I757 PolarHBondContact O-N 3Å; P755-I757 VanDerWaalsContact O-N 3.09Å
756	P	48	Very low	41.8	Very low	123 Å²	123	123.7 Å²	123.7	80%	0.799	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-55.9	122.2	-176.9	22.9	-33.5	0	0	0	109.7
757	I	47	Very low	42.4	Very low	147 Å²	147	124.6 Å²	124.6	75%	0.754	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-55.5	126.8	177.3	-60.4	174.7	0	0	0	107	P755 T759	P755-I757 PolarHBondContact O-N 3Å; P755-I757 VanDerWaalsContact O-N 3.09Å; I757-T759 PolarHBondContact O-N 2.92Å
758	P	40.9	Very low	42.8	Very low	110 Å²	110	125.3 Å²	125.3	71%	0.714	77%	0.773	S	S	*	*			trans	-63	108.5	177.3	25.8	-33.1	0	0	0	108.1	V760	P758-V760 PolarHBondContact O-N 3.09Å
759	T	37.5	Very low	42.9	Very low	132 Å²	132	123 Å²	123	81%	0.81	77%	0.771	S	S	*	*			trans	-64.2	96.9	176.5	39	0	0	0	0	108.7	I757 S761	I757-T759 PolarHBondContact O-N 2.92Å; T759-S761 PolarHBondContact O-N 2.87Å; T759-S761 VanDerWaalsContact O-N 3.14Å
760	V	36.8	Very low	43	Very low	129 Å²	129	122.5 Å²	122.5	78%	0.782	78%	0.775	S	S	*	*			trans	-55.5	121.4	171	176.9	0	0	0	0	107.4	P758 V762	P758-V760 PolarHBondContact O-N 3.09Å; V760-V762 VanDerWaalsContact C-N 3.32Å; V760-V762 PolarHBondContact O-N 3.1Å
761	S	32	Very low	42.4	Very low	112 Å²	112	125.2 Å²	125.2	78%	0.783	78%	0.778	S	S	*	*			trans	-64.6	87.8	-175.4	-52.2	0	0	0	0	111.4	T759 L763	T759-S761 PolarHBondContact O-N 2.87Å; T759-S761 VanDerWaalsContact O-N 3.14Å; S761-L763 PolarHBondContact O-N 3.14Å; S761-L763 VanDerWaalsContact O-N 3.13Å
762	V	36.2	Very low	41.9	Very low	131 Å²	131	126.5 Å²	126.5	79%	0.794	78%	0.778	S	S	*	*			trans	-64.8	113.2	169	-179.6	0	0	0	0	107.2	V760 S764	V760-V762 VanDerWaalsContact C-N 3.32Å; V760-V762 PolarHBondContact O-N 3.1Å; V762-S764 PolarHBondContact O-N 2.78Å; V762-S764 VanDerWaalsContact O-N 3.1Å
763	L	34.2	Very low	41.6	Very low	161 Å²	161	126.1 Å²	126.1	84%	0.843	78%	0.778	S	S	*	*			trans	-56.6	112.9	-175.4	-77.6	157.3	0	0	0	111.1	S761 L765	S761-L763 PolarHBondContact O-N 3.14Å; S761-L763 VanDerWaalsContact O-N 3.13Å; L763-L765 PolarHBondContact O-N 3.11Å
764	S	36	Very low	40.9	Very low	118 Å²	118	125.3 Å²	125.3	83%	0.825	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-62.1	120	175.6	-48.6	0	0	0	0	110.5	V762	V762-S764 PolarHBondContact O-N 2.78Å; V762-S764 VanDerWaalsContact O-N 3.1Å
765	L	36.9	Very low	40.3	Very low	163 Å²	163	125.2 Å²	125.2	85%	0.853	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-62.2	128.7	171.6	-75	157.9	0	0	0	109.7	L763	L763-L765 PolarHBondContact O-N 3.11Å
766	P	44.5	Very low	39.9	Very low	110 Å²	110	124.6 Å²	124.6	71%	0.714	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-72.8	149.4	175.5	30.5	-34.4	0	0	0	111
767	P	46.5	Very low	39.6	Very low	104 Å²	104	123.9 Å²	123.9	68%	0.675	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-70.3	155.6	177.5	30.4	-35.6	0	0	0	112	S769	P767-S769 PolarHBondContact O-N 3.26Å; P767-S769 VanDerWaalsContact O-N 3.11Å
768	P	42.1	Very low	39.3	Very low	136 Å²	136	121.7 Å²	121.7	88%	0.883	77%	0.77	S	S	*	*			trans	-74.6	100.5	179.4	29.9	-34.4	0	0	0	111.8
769	S	39.2	Very low	39.3	Very low	116 Å²	116	121.5 Å²	121.5	81%	0.811	77%	0.772	S	S	*	*			trans	-80.5	120.2	174.5	-60.5	0	0	0	0	112.2	P767	P767-S769 PolarHBondContact O-N 3.26Å; P767-S769 VanDerWaalsContact O-N 3.11Å
770	A	41.9	Very low	39.4	Very low	95 Å²	95	120 Å²	120	79%	0.785	77%	0.767	S	S	*	*			trans	-84.6	126.5	171	0	0	0	0	0	111.6
771	Q	37.2	Very low	39.5	Very low	173 Å²	173	120 Å²	120	81%	0.808	77%	0.767	S	S	*	*			trans	18.7	129.2	146.2	-58.8	-178.2	-10.6	0	0	118
772	L	38.7	Very low	39.7	Very low	143 Å²	143	119.5 Å²	119.5	75%	0.749	76%	0.764	S	S	*	*				-171.3	150.5	59.6	-113.4	124.8	0	0	0	112.6
773	S	39.4	Very low	39.7	Very low	106 Å²	106	117 Å²	117	74%	0.741	75%	0.751	S	S	*	*			trans	54.2	143.5	153.2	53	0	0	0	0	121.1
774	S	40	Very low	39.9	Very low	99 Å²	99	117.3 Å²	117.3	69%	0.692	75%	0.749	S	S	*	*			cis	-172.5	150.4	-8.4	46.1	0	0	0	0	111.2
775	S	40.9	Very low	39.9	Very low	110 Å²	110	115.7 Å²	115.7	77%	0.769	74%	0.737	S	S	*	*			trans	58.9	144.1	155.8	52.5	0	0	0	0	120.2
776	S	41.8	Very low	39.8	Very low	99 Å²	99	115.7 Å²	115.7	69%	0.692	74%	0.737	S	S	*	*			cis	-172.9	155.4	-13	47.1	0	0	0	0	111.2
777	S	41.8	Very low	39.4	Very low	108 Å²	108	115.7 Å²	115.7	76%	0.755	74%	0.739	S	S	*	*			trans	60.4	143.9	154	52.1	0	0	0	0	120.5
778	S	41.6	Very low	38.8	Very low	100 Å²	100	115.9 Å²	115.9	70%	0.699	74%	0.744	S	S	*	*			cis	-175.3	148	-14.3	47.9	0	0	0	0	111.7
779	S	40.2	Very low	38.7	Very low	106 Å²	106	114.8 Å²	114.8	74%	0.741	74%	0.736	S	S	*	*			trans	55.5	144	144.1	58.5	0	0	0	0	122
780	S	39.7	Very low	38.5	Very low	102 Å²	102	113.8 Å²	113.8	71%	0.713	73%	0.729	S	S	*	*			cis	180	149.4	-9.4	50	0	0	0	0	112.5
781	V	39.6	Very low	38.1	Very low	127 Å²	127	114.7 Å²	114.7	77%	0.77	73%	0.73	S	S	*	*			trans	61.6	105.1	138.3	172.3	0	0	0	0	118.1
782	S	36	Very low	38	Very low	103 Å²	103	111.5 Å²	111.5	72%	0.72	73%	0.727	S	S	*	*				82	162.7	82.4	102.3	0	0	0	0	114.5
783	S	36.1	Very low	37.6	Very low	77 Å²	77	109.5 Å²	109.5	54%	0.538	73%	0.725	S	S	.	*			cis	-162.7	-177.5	-2.4	27.3	0	0	0	0	110.5
784	H	38.8	Very low	37.3	Very low	169 Å²	169	109.8 Å²	109.8	78%	0.782	73%	0.727	S	S	*	*			trans	87.2	153.5	163.9	-51.9	-71.6	0	0	0	118.7
785	S	35	Very low	36.9	Very low	83 Å²	83	109.7 Å²	109.7	58%	0.58	73%	0.726	S	S	*	*				166.6	158.9	-51.8	52.7	0	0	0	0	110.4
786	L	35.4	Very low	36.5	Very low	164 Å²	164	109.7 Å²	109.7	86%	0.859	73%	0.726	S	S	*	*			trans	77.8	150.6	172.8	-52.6	161.8	0	0	0	115.3
787	S	34.9	Very low	35.9	Very low	109 Å²	109	109.3 Å²	109.3	76%	0.762	72%	0.723	S	S	*	*			cis	-167.1	157.9	-18.9	49.2	0	0	0	0	112.1
788	S	33.7	Very low	35.6	Very low	109 Å²	109	111.7 Å²	111.7	76%	0.762	72%	0.722	S	S	*	*			trans	-73.1	-173.3	167.7	-38.9	0	0	0	0	112.3
789	P	41.4	Very low	35.2	Very low	112 Å²	112	113.7 Å²	113.7	73%	0.727	72%	0.721	S	S	*	*			cis	-146.3	-168.6	5.6	41.4	-18.7	0	0	0	118.3
790	S	34.3	Very low	34.8	Very low	96 Å²	96	117.3 Å²	117.3	67%	0.671	72%	0.723	S	S	*	*			trans	80.7	127.2	139.4	62.8	0	0	0	0	125
791	S	33.4	Very low	34.5	Very low	114 Å²	114	121.9 Å²	121.9	80%	0.797	73%	0.726	S	S	*	*			trans	62	146.2	144.3	64.7	0	0	0	0	119.9
792	S	35.1	Very low	34.4	Very low	106 Å²	106	121.2 Å²	121.2	74%	0.741	73%	0.725	S	S	*	*			cis	-164	159.1	33.8	47.2	0	0	0	0	115.4
793	S	31.2	Very low	34.2	Very low	101 Å²	101	122.6 Å²	122.6	71%	0.706	72%	0.724	S	S	*	*			trans	18	152.5	150.7	61.3	0	0	0	0	126.4
794	S	33.3	Very low	34.1	Very low	111 Å²	111	129.6 Å²	129.6	78%	0.776	74%	0.74	S	S	*	*			trans	76.2	149.3	149.9	72.1	0	0	0	0	119.9
795	S	31.1	Very low	33.6	Very low	98 Å²	98	130.8 Å²	130.8	69%	0.685	74%	0.743	S	S	*	*			cis	-169.8	166.4	-23.4	50.9	0	0	0	0	110.9
796	S	31.4	Very low	33.8	Very low	109 Å²	109	132.4 Å²	132.4	76%	0.762	75%	0.752	S	S	*	*			trans	64.6	151.1	159.6	38.1	0	0	0	0	118.6
797	S	30.6	Very low	33.5	Very low	91 Å²	91	133.7 Å²	133.7	64%	0.636	75%	0.753	S	S	*	*			cis	-172.8	172.8	-15.2	45	0	0	0	0	110.4
798	H	33.7	Very low	33.5	Very low	159 Å²	159	134.3 Å²	134.3	74%	0.736	76%	0.757	S	S	*	*			trans	67.8	147.2	172.9	-63.8	-97	0	0	0	116.2
799	E	33.7	Very low	33.4	Very low	142 Å²	142	134.1 Å²	134.1	66%	0.664	76%	0.756	S	S	*	*			cis	-158.3	159	1	-124.1	169.8	-156.2	0	0	116.7
800	F	33.2	Very low	33.1	Very low	182 Å²	182	136.2 Å²	136.2	80%	0.798	76%	0.76	S	S	*	*			trans	51.9	147.4	157.3	-76.6	-66.5	0	0	0	126.9
801	Y	32.4	Very low	33.2	Very low	197 Å²	197	136.9 Å²	136.9	77%	0.773	76%	0.762	S	S	*	*			trans	-84.7	-178	175.5	-91.2	-91.7	0	0	0	111.9
802	P	38.3	Very low	33.4	Very low	114 Å²	114	141.1 Å²	141.1	74%	0.74	77%	0.766	S	S	*	*			cis	-139.2	176.2	20.3	40	-18.8	0	0	0	119.5
803	N	30.2	Very low	33.3	Very low	131 Å²	131	141 Å²	141	70%	0.701	77%	0.765	S	S	*	*			trans	-65.2	157.5	172.3	-60.4	-49	0	0	0	113.6
804	Y	33.8	Very low	33.6	Very low	224 Å²	224	141.3 Å²	141.3	88%	0.878	77%	0.767	S	S	*	*			trans	-140.9	123.2	151.5	-110.5	-86.2	0	0	0	111.7
805	F	28.6	Very low	33.8	Very low	195 Å²	195	142.7 Å²	142.7	86%	0.855	77%	0.772	S	S	*	*			trans	-131	128.9	170.7	-113	-75.8	0	0	0	107.4
806	P	40.7	Very low	34	Very low	116 Å²	116	141.6 Å²	141.6	75%	0.753	78%	0.775	S	S	*	*			trans	-103.6	111.6	164.7	32.7	-24	0	0	0	110.3
807	Q	29	Very low	34.4	Very low	192 Å²	192	145.3 Å²	145.3	90%	0.897	78%	0.78	S	S	*	*			trans	-68.7	151.3	153.1	-74.4	-177.5	-23.3	0	0	108.8
808	S	34.8	Very low	34.7	Very low	121 Å²	121	145.4 Å²	145.4	85%	0.846	78%	0.781	S	S	*	*			trans	-136.8	128.8	161	55.5	0	0	0	0	109.7
809	S	30.4	Very low	34.8	Very low	106 Å²	106	143.3 Å²	143.3	74%	0.741	79%	0.785	S	S	*	*			trans	-128.3	142.5	176.5	50.5	0	0	0	0	108.1
810	I	36.5	Very low	35	Very low	156 Å²	156	142.1 Å²	142.1	80%	0.8	79%	0.792	S	S	*	*			trans	-137.3	105.8	178.3	-55.8	178.5	0	0	0	108.6
811	P	35.2	Very low	35.1	Very low	110 Å²	110	140 Å²	140	71%	0.714	79%	0.788	S	S	*	*			trans	-93.7	154	159.5	35.7	-30	0	0	0	110.5
812	F	38.7	Very low	35.5	Very low	203 Å²	203	139.5 Å²	139.5	89%	0.89	79%	0.793	S	S	*	*			trans	-144.1	152.4	160.9	-117.3	-83.1	0	0	0	110
813	S	33.4	Very low	35.3	Very low	103 Å²	103	137.2 Å²	137.2	72%	0.72	79%	0.791	S	S	*	*			trans	-139.1	152.4	-160.8	53.2	0	0	0	0	114.2
814	S	36.8	Very low	35.5	Very low	107 Å²	107	138.5 Å²	138.5	75%	0.748	80%	0.796	S	S	*	*			trans	-172.2	96.8	157	28.4	0	0	0	0	108.6
815	T	37.1	Very low	35.6	Very low	141 Å²	141	134 Å²	134	87%	0.865	79%	0.787	S	S	*	*				73.5	115.3	84.2	57.6	0	0	0	0	115.5
816	G	36.4	Very low	35.8	Very low	74 Å²	74	132.8 Å²	132.8	76%	0.763	78%	0.784	S	S	*	*			trans	168.8	88.1	168.1	0	0	0	0	0	115.8
817	H	39	Very low	35.6	Very low	187 Å²	187	133.1 Å²	133.1	87%	0.866	79%	0.79	S	S	*	*			trans	12.2	148.1	151.5	-60.9	-62	0	0	0	122.2
818	S	36.7	Very low	35.7	Very low	93 Å²	93	131.1 Å²	131.1	65%	0.65	79%	0.785	S	S	*	*			cis	-176.4	148.8	-2.3	44.9	0	0	0	0	113.6
819	S	36.9	Very low	35.9	Very low	116 Å²	116	130.5 Å²	130.5	81%	0.811	78%	0.778	S	S	*	*			trans	61	150.2	152.1	57.1	0	0	0	0	119.6
820	S	37.9	Very low	35.8	Very low	116 Å²	116	130.3 Å²	130.3	81%	0.811	78%	0.777	S	S	*	*			cis	-143.3	165.2	11	50.9	0	0	0	0	113.9
821	N	35.2	Very low	35.6	Very low	137 Å²	137	131.1 Å²	131.1	73%	0.733	78%	0.781	S	S	*	*			trans	-83	165.1	-167.9	-59.1	-21.4	0	0	0	116.9
822	H	40.1	Very low	35.3	Very low	187 Å²	187	134.7 Å²	134.7	87%	0.866	79%	0.788	S	S	*	*			trans	128.4	128	135.4	-70.7	-73.7	0	0	0	113.4
823	G	35	Very low	34.9	Very low	67 Å²	67	134.3 Å²	134.3	69%	0.691	79%	0.787	S	S	*	*			cis	174.4	157	-9.2	0	0	0	0	0	112.7
824	L	34	Very low	34.9	Very low	157 Å²	157	137.1 Å²	137.1	82%	0.822	79%	0.793	S	S	*	*			trans	11.9	145.6	152.4	-56.2	178.5	0	0	0	120.2
825	D	35.1	Very low	34.6	Very low	129 Å²	129	139.5 Å²	139.5	69%	0.69	80%	0.797	S	S	*	*			cis	-158.4	-176.4	18.1	-130.7	-27.6	0	0	0	115.8
826	E	33	Very low	34.4	Very low	170 Å²	170	138.3 Å²	138.3	79%	0.794	79%	0.792	S	S	*	*			trans	-40.3	142.3	179.7	-60	177.4	155.5	0	0	118.8
827	S	36.6	Very low	34.1	Very low	123 Å²	123	140.4 Å²	140.4	86%	0.86	80%	0.795	S	S	*	*				168.3	151.7	100.9	48	0	0	0	0	114.9
828	N	31	Very low	33.7	Very low	151 Å²	151	139.5 Å²	139.5	81%	0.807	80%	0.795	S	S	*	*			trans	-108.6	165.5	169	-136.2	0.3	0	0	0	106.9
829	P	38.5	Very low	33.3	Very low	107 Å²	107	141.2 Å²	141.2	70%	0.695	80%	0.801	S	S	*	*			cis	-147.4	170.4	38.5	43.6	-23.2	0	0	0	118.9
830	S	28.9	Very low	32.9	Very low	103 Å²	103	141.2 Å²	141.2	72%	0.72	80%	0.796	S	S	*	*			trans	9.7	129.3	151.1	61.5	0	0	0	0	121.6
831	I	32.5	Very low	32.6	Very low	173 Å²	173	144.2 Å²	144.2	89%	0.887	80%	0.797	S	S	*	*			trans	-136	159	155.8	-92.5	161.1	0	0	0	109.7
832	E	29.6	Very low	32.2	Very low	184 Å²	184	142.4 Å²	142.4	86%	0.86	80%	0.796	S	S	*	*			trans	-69	172.2	-169.7	-75.5	162.4	109.1	0	0	117
833	F	29	Very low	32	Very low	196 Å²	196	141 Å²	141	86%	0.86	80%	0.795	S	S	*	*			trans	-65.4	143.2	166.8	-88.6	-108	0	0	0	111.8
834	D	32.7	Very low	31.8	Very low	161 Å²	161	143.8 Å²	143.8	86%	0.861	79%	0.794	S	S	*	*			trans	-148.2	140.6	149.4	-125.9	-27.3	0	0	0	110.4
835	L	30.8	Very low	31.8	Very low	158 Å²	158	146.5 Å²	146.5	83%	0.827	80%	0.799	S	S	*	*			trans	-117.1	115.3	-176.9	-99.9	173	0	0	0	110.8
836	P	34.4	Very low	31.6	Very low	116 Å²	116	144.5 Å²	144.5	75%	0.753	79%	0.792	S	S	*	*			trans	-95.9	123.2	165.3	32.7	-27.4	0	0	0	111.1
837	S	29.6	Very low	31.6	Very low	118 Å²	118	145.5 Å²	145.5	83%	0.825	80%	0.796	S	S	*	*			trans	-74.8	137.1	169.9	54.1	0	0	0	0	111.6
838	L	31.2	Very low	31.3	Very low	168 Å²	168	145.7 Å²	145.7	88%	0.88	79%	0.786	S	S	*	*			trans	-144.2	116.2	168.2	-112.2	161.3	0	0	0	112.4
839	V	27.3	Very low	31.4	Very low	128 Å²	128	147.7 Å²	147.7	78%	0.776	79%	0.791	S	S	*	*			trans	-79.6	146.5	165	176.4	0	0	0	0	108.2
840	V	29.1	Very low	31.2	Very low	116 Å²	116	146.7 Å²	146.7	70%	0.703	79%	0.791	S	S	*	*			trans	177.2	126.3	135	144.8	0	0	0	0	113.8
841	Q	30	Very low	31.4	Very low	179 Å²	179	146.3 Å²	146.3	84%	0.836	79%	0.788	S	S	*	*			trans	55.3	122.7	150.5	-66.9	167.8	-18	0	0	122.6
842	S	28	Very low	31.5	Very low	100 Å²	100	144.6 Å²	144.6	70%	0.699	78%	0.781	S	S	*	*			trans	-67	161.4	152	51.9	0	0	0	0	113.2
843	N	34.7	Very low	31.6	Very low	158 Å²	158	141.3 Å²	141.3	85%	0.845	77%	0.774	S	S	*	*			trans	-156.9	149.8	133.7	-99.1	-17.4	0	0	0	111.6
844	D	32.5	Very low	31.9	Very low	124 Å²	124	139 Å²	139	66%	0.663	77%	0.77	S	S	*	*			trans	-65	159.8	-165.4	-52.7	-59.2	0	0	0	116.6	T846	D844-T846 HydrophobicContact CB-CG2 4.44Å
845	F	33.9	Very low	32	Very low	215 Å²	215	138.2 Å²	138.2	94%	0.943	77%	0.765	S	S	*	*				-146.6	150.2	115.2	-104.7	-72.8	0	0	0	110.7
846	T	30.6	Very low	32	Very low	86 Å²	86	141.1 Å²	141.1	53%	0.528	77%	0.765	S	S	.	*			trans	-131.3	145.8	-158.3	45.5	0	0	0	0	114.8	D844	D844-T846 HydrophobicContact CB-CG2 4.44Å
847	H	33.3	Very low	32	Very low	191 Å²	191	143.8 Å²	143.8	88%	0.884	77%	0.773	S	S	*	*			trans	-170.5	98.2	155.7	-99	-76.2	0	0	0	105.6
848	I	30.5	Very low	31.9	Very low	128 Å²	128	141 Å²	141	66%	0.656	76%	0.764	S	S	*	*				69.4	83.1	55.3	-50.1	178	0	0	0	113.4	A850	I848-A850 HydrophobicContact CG2-CB 4.47Å
849	E	33	Very low	32	Very low	193 Å²	193	143.9 Å²	143.9	90%	0.902	76%	0.764	S	S	*	*				-143.7	119.7	115.9	-73	-171.5	154.5	0	0	104.9
850	A	33.2	Very low	32.2	Very low	85 Å²	85	143 Å²	143	70%	0.702	76%	0.764	S	S	*	*			cis	75.1	123.1	33.4	0	0	0	0	0	114.3	I848	I848-A850 HydrophobicContact CG2-CB 4.47Å
851	S	32.9	Very low	32.2	Very low	95 Å²	95	145.8 Å²	145.8	66%	0.664	77%	0.769	S	S	*	*			cis	-166.1	169.3	-10.1	58.7	0	0	0	0	112.4
852	N	36.1	Very low	32.3	Very low	138 Å²	138	144.8 Å²	144.8	74%	0.738	76%	0.764	S	S	*	*			trans	121.3	92.1	154.4	-58.7	-7.5	0	0	0	113.2
853	T	31.7	Very low	32.4	Very low	114 Å²	114	146.9 Å²	146.9	70%	0.699	76%	0.763	S	S	*	*			cis	88.2	144.4	43.6	74.1	0	0	0	0	115.9
854	L	34.6	Very low	32	Very low	149 Å²	149	146.1 Å²	146.1	78%	0.78	76%	0.758	S	S	*	*			trans	77	134.4	171.5	-57.4	160.8	0	0	0	115.9
855	D	35	Very low	31.8	Very low	144 Å²	144	145.1 Å²	145.1	77%	0.77	76%	0.761	S	S	*	*			cis	-145.1	162.4	1.8	-140.6	-20.4	0	0	0	115
856	R	29.6	Very low	31.7	Very low	219 Å²	219	143.1 Å²	143.1	83%	0.826	76%	0.759	S	S	*	*			trans	-90.6	147.7	174.1	-78.6	176	164.3	174.1	-5.7	110.9
857	N	35.4	Very low	31.5	Very low	171 Å²	171	143.7 Å²	143.7	91%	0.914	77%	0.766	S	S	*	*				-172.7	148.7	122	-90.1	-34	0	0	0	109
858	G	27.8	Very low	31.5	Very low	61 Å²	61	143.6 Å²	143.6	63%	0.629	77%	0.766	S	S	*	*			trans	-146.6	171.7	173.3	0	0	0	0	0	110
859	Y	32.7	Very low	31.4	Very low	228 Å²	228	144.5 Å²	144.5	89%	0.894	77%	0.773	S	S	*	*			trans	-158.2	131.3	166.8	-102	-69	0	0	0	112.2
860	S	31.6	Very low	31.5	Very low	110 Å²	110	144.9 Å²	144.9	77%	0.769	77%	0.774	S	S	*	*			trans	44.1	149.9	147.5	53.6	0	0	0	0	123.3
861	E	29.8	Very low	31.5	Very low	173 Å²	173	144.2 Å²	144.2	81%	0.808	78%	0.776	S	S	*	*			trans	-84.3	-164.7	179.7	-54.3	168.1	109.7	0	0	113.5
862	H	32.1	Very low	31.3	Very low	158 Å²	158	148.6 Å²	148.6	73%	0.731	79%	0.785	S	S	*	*			trans	77	138.4	-178.5	-62.3	-105.9	0	0	0	114.6
863	E	28.6	Very low	31	Very low	145 Å²	145	150.3 Å²	150.3	68%	0.678	79%	0.794	S	S	*	*			cis	-156.8	161.1	1.3	-131.8	170.6	-149.3	0	0	115.5
864	L	28	Very low	30.8	Very low	142 Å²	142	151.3 Å²	151.3	74%	0.743	79%	0.794	S	S	*	*			trans	40	135.4	147	-81.4	163.2	0	0	0	123
865	S	28.2	Very low	30.8	Very low	103 Å²	103	151 Å²	151	72%	0.72	80%	0.798	S	S	*	*			trans	-61	146.6	162.1	55.9	0	0	0	0	114.2
866	L	30.2	Very low	30.5	Very low	173 Å²	173	150.2 Å²	150.2	91%	0.906	79%	0.794	S	S	*	*			trans	-149	136.8	149.5	-113.6	167.1	0	0	0	110.5
867	S	27.9	Very low	30.8	Very low	97 Å²	97	147.6 Å²	147.6	68%	0.678	79%	0.791	S	S	*	*			trans	-102.2	149.1	172.2	58.1	0	0	0	0	110.4
868	Q	33.2	Very low	30.6	Very low	189 Å²	189	147 Å²	147	88%	0.883	78%	0.782	S	S	*	*			trans	-173.6	158.2	133.7	-103.9	165	27.1	0	0	113
869	N	28	Very low	30.9	Very low	148 Å²	148	152.5 Å²	152.5	79%	0.791	79%	0.792	S	S	*	*			trans	-75.2	157.9	-178	-54.2	-49.6	0	0	0	112.3
870	H	35.5	Very low	30.6	Very low	201 Å²	201	146.5 Å²	146.5	93%	0.931	78%	0.783	S	S	*	*			trans	-167.1	146.8	131.6	-112.9	-72.5	0	0	0	113.9
871	G	32.1	Very low	30.7	Very low	71 Å²	71	149.2 Å²	149.2	73%	0.732	79%	0.787	S	S	*	*			trans	100.6	93.9	146.8	0	0	0	0	0	118.2
872	Q	28.8	Very low	30.8	Very low	186 Å²	186	149 Å²	149	87%	0.869	79%	0.786	S	S	*	*			trans	-79.2	155.1	158.3	-63	171.8	-51.6	0	0	111
873	L	31	Very low	30.8	Very low	174 Å²	174	152.9 Å²	152.9	91%	0.911	80%	0.795	S	S	*	*			trans	-159.1	137.7	140.4	-113.2	159.2	0	0	0	111
874	L	27.5	Very low	30.8	Very low	135 Å²	135	152.4 Å²	152.4	71%	0.707	80%	0.797	S	S	*	*			trans	-92	158.8	178.9	-56.1	100.3	0	0	0	111.7
875	V	33.4	Very low	31.1	Very low	144 Å²	144	152 Å²	152	87%	0.873	80%	0.795	S	S	*	*				-154.7	146.8	127.9	161.2	0	0	0	0	108.5
876	N	29.6	Very low	31.4	Very low	126 Å²	126	155.1 Å²	155.1	67%	0.674	80%	0.798	S	S	*	*			trans	-100.8	154.4	-179.9	-55.4	-25.5	0	0	0	112.7
877	H	35.1	Very low	31.3	Very low	164 Å²	164	156.1 Å²	156.1	76%	0.759	80%	0.795	S	S	*	*				-177.9	137.7	129.9	-90.7	-65.3	0	0	0	105.6
878	E	31.8	Very low	31.6	Very low	159 Å²	159	159.3 Å²	159.3	74%	0.743	80%	0.803	S	S	*	*				54.6	136.6	73.6	-63.4	174.9	152.5	0	0	112.2
879	E	32.8	Very low	31.6	Very low	177 Å²	177	158 Å²	158	83%	0.827	80%	0.797	S	S	*	*			cis	-150.8	167.3	26.9	-152.6	173	-151.3	0	0	112.2
880	S	28.2	Very low	31.8	Very low	102 Å²	102	157.8 Å²	157.8	71%	0.713	80%	0.796	S	S	*	*			trans	-82.4	148.5	177.1	63.8	0	0	0	0	113.2
881	I	33.7	Very low	31.9	Very low	167 Å²	167	156 Å²	156	86%	0.856	79%	0.793	S	S	*	*			trans	-155.4	149.8	147.6	-109.8	150.8	0	0	0	112.9
882	Q	30.5	Very low	31.9	Very low	168 Å²	168	157.9 Å²	157.9	79%	0.785	79%	0.786	S	S	*	*			trans	-83.2	156.1	-174.7	-54.7	165.5	-12.4	0	0	113.1
883	R	31.8	Very low	32.3	Very low	240 Å²	240	156.9 Å²	156.9	91%	0.906	79%	0.787	S	S	*	*				-179.3	139.1	112.5	-94.5	156.9	-154.6	-165.1	7.6	113.4
884	N	29.5	Very low	32.1	Very low	135 Å²	135	156.3 Å²	156.3	72%	0.722	77%	0.774	S	S	*	*			trans	-82.7	148.5	158.9	-61.5	-62.9	0	0	0	109.6
885	N	33.5	Very low	32.3	Very low	133 Å²	133	157.4 Å²	157.4	71%	0.711	78%	0.779	S	S	*	*				163.8	147.7	117.2	-83.7	-14	0	0	0	113.1
886	H	35	Very low	31.9	Very low	168 Å²	168	155.8 Å²	155.8	78%	0.778	77%	0.773	S	S	*	*			trans	59.8	121.6	171.4	-53.1	-64.3	0	0	0	116
887	K	28.9	Very low	32.1	Very low	194 Å²	194	157.5 Å²	157.5	84%	0.843	78%	0.781	S	S	*	*			cis	68.3	97.8	31.3	-154.8	-169.1	-171.3	-170.2	0	114.1
888	I	33.1	Very low	31.8	Very low	164 Å²	164	156.1 Å²	156.1	84%	0.841	78%	0.779	S	S	*	*			trans	-164.5	160.5	147.7	-100.7	153.4	0	0	0	109.1
889	E	34.1	Very low	31.7	Very low	162 Å²	162	158.8 Å²	158.8	76%	0.757	78%	0.783	S	S	*	*			trans	-82.1	160.8	-157.2	-60	115.6	147.8	0	0	118.3
890	N	32.9	Very low	31.7	Very low	144 Å²	144	158.8 Å²	158.8	77%	0.77	78%	0.78	S	S	*	*			trans	16.6	131.7	143.4	-61.8	-12.1	0	0	0	120.1
891	N	36.1	Very low	32	Very low	162 Å²	162	160.2 Å²	160.2	87%	0.866	78%	0.779	S	S	*	*				-159.1	154	107.4	-107.1	-50.6	0	0	0	113.6
892	N	33.7	Very low	31.8	Very low	112 Å²	112	159.2 Å²	159.2	60%	0.599	78%	0.776	S	S	*	*			trans	-76.7	151.5	-179.9	-67.9	-52.4	0	0	0	112.5
893	N	35.3	Very low	31.9	Very low	165 Å²	165	156.9 Å²	156.9	88%	0.882	78%	0.778	S	S	*	*			trans	-163.4	129.2	133	-101.2	-35.3	0	0	0	112.3
894	Y	27.3	Very low	31.7	Very low	161 Å²	161	151.3 Å²	151.3	63%	0.631	77%	0.771	S	S	*	*			trans	-85.7	135.7	171.5	-99	-104.5	0	0	0	110.4
895	I	32.1	Very low	31.8	Very low	159 Å²	159	156 Å²	156	82%	0.815	78%	0.78	S	S	*	*			trans	-136.3	128.9	152.5	-61.4	-176.8	0	0	0	108.1	I897	I895-I897 HydrophobicContact CG2-CG1 4.43Å
896	S	25.7	Very low	31.5	Very low	109 Å²	109	154.6 Å²	154.6	76%	0.762	78%	0.78	S	S	*	*			trans	-109.9	140.1	173.6	57.4	0	0	0	0	110.9
897	I	33.7	Very low	31.3	Very low	163 Å²	163	154.7 Å²	154.7	84%	0.836	79%	0.785	S	S	*	*			trans	-136.3	140.5	168.9	-58.6	-177.7	0	0	0	107.4	I895	I895-I897 HydrophobicContact CG2-CG1 4.43Å
898	N	28.1	Very low	31.4	Very low	135 Å²	135	151.6 Å²	151.6	72%	0.722	78%	0.777	S	S	*	*			trans	-149.5	145.8	-168.3	-166.5	-7.6	0	0	0	111.4
899	R	30	Very low	31.5	Very low	215 Å²	215	150.1 Å²	150.1	81%	0.811	78%	0.776	S	S	*	*			trans	69.2	148.6	178.5	-56.8	174.9	172.9	175.1	-5.7	113.9
900	K	32.9	Very low	31.5	Very low	177 Å²	177	148.2 Å²	148.2	77%	0.77	77%	0.771	S	S	*	*			cis	-170.3	144.6	44.8	-139.9	153.4	179.2	-172.7	0	113.4
901	N	34	Very low	31.7	Very low	131 Å²	131	146.6 Å²	146.6	70%	0.701	77%	0.771	S	S	*	*			trans	61.3	128.7	146.7	-64	12.2	0	0	0	124.8
902	N	30.4	Very low	31.5	Very low	146 Å²	146	144 Å²	144	78%	0.781	76%	0.761	S	S	*	*				36.2	145.8	125.7	-57.2	13.6	0	0	0	121
903	S	31.9	Very low	31.5	Very low	119 Å²	119	148.7 Å²	148.7	83%	0.832	77%	0.771	S	S	*	*				-161.5	172	50.3	-50.1	0	0	0	0	115.1
904	V	27.9	Very low	31.5	Very low	124 Å²	124	146.7 Å²	146.7	75%	0.752	76%	0.76	S	S	*	*			trans	-89.3	151.3	-175.9	174.3	0	0	0	0	113.4
905	Y	31.3	Very low	31.6	Very low	234 Å²	234	145.5 Å²	145.5	92%	0.918	76%	0.764	S	S	*	*			trans	-147.6	153.4	143.1	-96.2	-71.9	0	0	0	111.3
906	S	27.1	Very low	31.7	Very low	102 Å²	102	147.8 Å²	147.8	71%	0.713	77%	0.768	S	S	*	*			trans	-129.2	171.6	179.8	60.9	0	0	0	0	111.4
907	I	31.4	Very low	32	Very low	171 Å²	171	148 Å²	148	88%	0.877	77%	0.768	S	S	*	*			trans	-160.3	151.9	156.5	-103.3	148.2	0	0	0	109.2
908	D	30.3	Very low	32.5	Very low	128 Å²	128	145.1 Å²	145.1	68%	0.684	76%	0.76	S	S	*	*			trans	-134.5	148.7	-171.3	162.7	50.4	0	0	0	110.6	N910	D908-N910 PolarHBondContact OD2-ND2 3.13Å
909	V	35.7	Very low	32.7	Very low	133 Å²	133	145.5 Å²	145.5	81%	0.806	76%	0.761	S	S	*	*			trans	-150.5	136.6	162.3	-146.2	0	0	0	0	112.6
910	N	33.5	Very low	32.9	Very low	123 Å²	123	142.1 Å²	142.1	66%	0.658	76%	0.758	S	S	*	*			trans	-89.4	163.8	-174.1	-69.4	-107.3	0	0	0	113.7	D908	D908-N910 PolarHBondContact OD2-ND2 3.13Å
911	S	36.6	Very low	32.9	Very low	110 Å²	110	141.6 Å²	141.6	77%	0.769	76%	0.756	S	S	*	*				168.5	117.4	108.7	-72.8	0	0	0	0	118.2
912	V	32.4	Very low	32.9	Very low	108 Å²	108	141.7 Å²	141.7	66%	0.655	76%	0.755	S	S	*	*				49.9	145.4	126.6	-162.4	0	0	0	0	123.1	L914	V912-L914 HydrophobicContact CG1-CD1 4.48Å
913	Y	34.2	Very low	32.8	Very low	210 Å²	210	141.1 Å²	141.1	82%	0.824	75%	0.751	S	S	*	*			trans	117.8	135.2	151.9	-77.3	-87.3	0	0	0	115.9
914	L	34.1	Very low	33.3	Very low	122 Å²	122	145.6 Å²	145.6	64%	0.639	76%	0.756	S	S	*	*			cis	-173	135.1	-44.2	-113.5	168.9	0	0	0	108.7	V912	V912-L914 HydrophobicContact CG1-CD1 4.48Å
915	L	31.3	Very low	33.8	Very low	136 Å²	136	144.7 Å²	144.7	71%	0.712	75%	0.751	S	S	*	*			trans	35.2	130.9	158.1	-67.6	169.8	0	0	0	121.8
916	F	32.7	Very low	34.2	Very low	208 Å²	208	147.7 Å²	147.7	91%	0.912	76%	0.762	S	S	*	*				-165.9	170.3	98.7	-105	-72.7	0	0	0	111.5
917	C	32.5	Very low	34.5	Very low	112 Å²	112	150 Å²	150	76%	0.757	77%	0.765	S	S	*	*			trans	-131.3	-167.8	-159.3	-138	0	0	0	0	112.4
918	P	43.7	Very low	34.7	Very low	103 Å²	103	148.8 Å²	148.8	67%	0.669	76%	0.759	S	S	*	*				-126.6	-140.2	-118.2	42.8	-23.4	0	0	0	114.5
919	I	33	Very low	34.9	Very low	144 Å²	144	150 Å²	150	74%	0.738	76%	0.763	S	S	*	*			trans	87.4	112.2	169.8	-41.9	156.8	0	0	0	116.2
920	L	33.4	Very low	34.9	Very low	143 Å²	143	151 Å²	151	75%	0.749	76%	0.761	S	S	*	*				176.6	137.3	109.9	-113.6	107.1	0	0	0	113.2
921	F	34.2	Very low	35	Very low	166 Å²	166	152.8 Å²	152.8	73%	0.728	77%	0.767	S	S	*	*			trans	47.8	125.5	146	-78.9	-122.7	0	0	0	120.4
922	I	32.9	Very low	34.8	Very low	133 Å²	133	155.6 Å²	155.6	68%	0.682	77%	0.767	S	S	*	*				76.3	129	58.6	-65.1	168	0	0	0	113.5
923	L	30	Very low	35	Very low	135 Å²	135	159 Å²	159	71%	0.707	78%	0.775	S	S	*	*			trans	72.5	88.8	169.8	-73.4	165.8	0	0	0	119.6	V925	L923-V925 HydrophobicContact CD2-CG2 3.94Å
924	F	42.5	Very low	35.1	Very low	213 Å²	213	155.1 Å²	155.1	93%	0.934	77%	0.771	S	S	*	*			trans	-173.7	97.5	140.3	-98.9	-71.3	0	0	0	105
925	V	36.5	Very low	35.2	Very low	105 Å²	105	157.8 Å²	157.8	64%	0.636	78%	0.782	S	S	*	*			cis	63.7	81.2	28.6	-169.8	0	0	0	0	113.1	L923	L923-V925 HydrophobicContact CD2-CG2 3.94Å
926	Y	39.7	Very low	35.5	Very low	296 Å²	296	159.8 Å²	159.8	100%	1.161	79%	0.788	S	S	*	*				-144.3	0	124.9	-131	-82.6	0	0	0	110

Retrieved 926 of 926 residues in 857.5 ms (Link to these results)

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