A0A067XG46_MOUSE Loading...

X-linked retinitis pigmentosa GTPase regulator

AlphaFold DB , UniProt , Accession A0A067XG46, Species MOUSE (Mus musculus, Mouse), Gene Rpgr, Length 1,039 aa.

						>A0A067XG46_MOUSE|A0A067XG46|Rpgr
MPRGSRWGSQGVGQHLRLNRVAPAIFPKQAQIPFAGFGMAESESLVPDTGAVFTFGKTKFAENIPSKFWFKNDIPICLSCGDEHTAIVTGNNKLYMFGSNNWGQLGLGSKAAIIKPTCIKALKPEKVKLAACGRNHTLVSTDTGGVYAAGGNNEGQLGLGDTDDRDTFHQIVFFTPADTIKQLSAGANTSAALTEDGKLFMWGDNSEGQIGLEDKSNVCIPHEVTVGKPISWISCGYYHSAFVTMDGELYTFGEPENGKLGLPNELLMNHRSPQRVLGIPERVIQVACGGGHTVVLTEKVVYAFGLGQFGQLGLGTFLFETSEPKIIERIKDQKICHISCGENHTALMTELGLLYTFGDGRHGKLGLGMENFTNQFFPTLCSNFLRFAVQLIACGGCHMLVFATPRLGTIDEPKFEDVYEPYISTGSFSINDLSPRSSLNRSLSARLRRRERERPPCSASMVGTLPPLEGTSASTSAYFYPSSPPFHLSVNNYPEKSPSESMEPLDSDYFEDKMNKDTETENSSAVDSENFGETNDILNMTHMMTTSSNEKLLDFSPIQKQQNQDTFEKVMESTPCTENEDSYEYEEMSKIKEVTVYKQYLAKGIYMIRPAEILEAFSDEEVGNGLDQVEEPRVFTDGKGLQSKQVGKESDEEIVSEKKTEVMEVADVKKIRESEENSKSDSLFDDLPDKTMNSESEDNKDIAEERRSSEQNMTFDSETELVEEPDSYMECERHSEQDSAEELEQPKLVEYSSEEKDEKDEKDDDEVETENLWYDRNCTEQETENVFRATRFFPKFDLKHDHLSGIPEEQEGPEDSEGNVVVEQVVQAQKENLEFEGDRKEAKAEAPSDVITEKEAPQLSETVKPEEGEMDEEISILNVEDTVEEERKEGEKEIVEEGSIPETEGSETIDITDEKLDEVLKEEDSASLLQRALREYNENPKGHMYDRVKSSSSEILGGNDPTSKDIKKAKKISFFNRMSLTGQKLMQNTNDPLPEIKPIGDQIALQSDKKDANQNHMGQNLQDSTTPNMEGKSKSCTIL
					

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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	27.9	Very low	38.8	Very low	244 Å²	244	144.2 Å²	144.2	100%	1.202	79%	0.794	S	S	*	*				0	162.6	0	-98.1	-170.4	170.3	0	0	109.2
2	P	58.8	Low	38.4	Very low	105 Å²	105	145.3 Å²	145.3	68%	0.682	81%	0.807	S	S	*	*				-125.3	-176.4	-123.1	44.7	-35.6	0	0	0	116.9
3	R	40.8	Very low	37.7	Very low	233 Å²	233	139.5 Å²	139.5	88%	0.879	80%	0.8	S	S	*	*			trans	11	137	141.2	-53.1	168.4	-172.7	-177.4	1.3	116.7
4	G	39.5	Very low	37.4	Very low	68 Å²	68	142.8 Å²	142.8	70%	0.701	81%	0.805	S	S	*	*			cis	103	169.4	16	0	0	0	0	0	112.8
5	S	41.9	Very low	37.1	Very low	101 Å²	101	144 Å²	144	71%	0.706	80%	0.801	S	S	*	*			trans	86.8	131	174	-30.1	0	0	0	0	115.8
6	R	41	Very low	36.5	Very low	188 Å²	188	145.1 Å²	145.1	71%	0.709	80%	0.804	S	S	*	*				82.3	154.4	90.5	-73.7	-171.3	170.9	-165.6	-0.8	114.3
7	W	39.9	Very low	35.9	Very low	206 Å²	206	149.8 Å²	149.8	78%	0.78	81%	0.807	S	S	*	*			cis	-169.6	157.2	-9	-112.9	-7.1	0	0	0	111
8	G	32.4	Very low	35.4	Very low	70 Å²	70	150.8 Å²	150.8	72%	0.722	81%	0.811	S	S	*	*			trans	67.3	-178.7	144	0	0	0	0	0	119.2
9	S	37.5	Very low	34.9	Very low	106 Å²	106	150.2 Å²	150.2	74%	0.741	81%	0.807	S	S	*	*			cis	-174.6	165.6	-23.7	50.2	0	0	0	0	110.6
10	Q	34.5	Very low	34.5	Very low	199 Å²	199	154.8 Å²	154.8	93%	0.93	81%	0.812	S	S	*	*			trans	72	146.9	175.6	-52.7	176	-21.6	0	0	115.9
11	G	32.9	Very low	34.2	Very low	66 Å²	66	153.8 Å²	153.8	68%	0.68	81%	0.812	S	S	*	*			cis	173.8	143.8	-12.4	0	0	0	0	0	115.6
12	V	33.8	Very low	34.2	Very low	157 Å²	157	146.3 Å²	146.3	95%	0.952	79%	0.79	S	S	*	*			trans	60.8	122.5	156.1	-168.2	0	0	0	0	120.1
13	G	29.7	Very low	32.9	Very low	70 Å²	70	147.7 Å²	147.7	72%	0.722	80%	0.799	S	S	*	*			trans	163.9	92.9	159.7	0	0	0	0	0	118.2
14	Q	33.5	Very low	32.2	Very low	186 Å²	186	141 Å²	141	87%	0.869	79%	0.793	S	S	*	*			trans	0.9	149.1	146.2	-60.7	179	-17.1	0	0	120.1
15	H	32.1	Very low	31.6	Very low	161 Å²	161	145 Å²	145	75%	0.745	80%	0.797	S	S	*	*			cis	-168	160.1	-13.2	-132.6	-65.8	0	0	0	110.2
16	L	27.4	Very low	30.7	Very low	161 Å²	161	149.1 Å²	149.1	84%	0.843	80%	0.802	S	S	*	*			trans	74.4	142.5	156.6	-76.5	162.3	0	0	0	121.5
17	R	27.3	Very low	30.8	Very low	226 Å²	226	145.4 Å²	145.4	85%	0.853	80%	0.802	S	S	*	*			trans	-88.5	162.8	-173.6	-54.6	162.2	168.7	164.1	-7.9	112.7
18	L	26	Very low	30	Very low	168 Å²	168	145.9 Å²	145.9	88%	0.88	81%	0.81	S	S	*	*				-166	166.3	122.6	-109.3	160.8	0	0	0	113.4
19	N	26.4	Very low	29.8	Very low	139 Å²	139	151.3 Å²	151.3	74%	0.743	82%	0.817	S	S	*	*			trans	-103.5	150.9	-165.4	-57	-27.5	0	0	0	113.5
20	R	27	Very low	29.3	Very low	241 Å²	241	150.6 Å²	150.6	91%	0.909	82%	0.817	S	S	*	*				-172.4	114.8	125.7	-108.4	173.9	178.4	178.6	-0.7	115.7
21	V	26.8	Very low	28.9	Very low	134 Å²	134	149.4 Å²	149.4	81%	0.812	81%	0.812	S	S	*	*			trans	19.5	120	137.1	-174.8	0	0	0	0	120.3
22	A	29.3	Very low	29	Very low	88 Å²	88	153.3 Å²	153.3	73%	0.727	82%	0.815	S	S	*	*			trans	41.1	148	135.4	0	0	0	0	0	122.1
23	P	31.7	Very low	28.8	Very low	134 Å²	134	151.4 Å²	151.4	87%	0.87	81%	0.806	S	S	*	*				-133	179.8	78.1	39.8	-29	0	0	0	114.4
24	A	25.4	Very low	28.6	Very low	91 Å²	91	157.8 Å²	157.8	75%	0.752	81%	0.814	S	S	*	*			trans	-125.5	160.4	-179.9	0	0	0	0	0	112.2
25	I	26.6	Very low	28.4	Very low	153 Å²	153	153.8 Å²	153.8	79%	0.785	81%	0.813	S	S	*	*			trans	172.8	119.2	145.9	-93.3	153.8	0	0	0	111
26	F	24.2	Very low	28.1	Very low	187 Å²	187	149.7 Å²	149.7	82%	0.82	81%	0.814	S	S	*	*			trans	39.7	168.7	145.4	-64.6	-101	0	0	0	122.7
27	P	41.3	Very low	28.4	Very low	110 Å²	110	152 Å²	152	71%	0.714	82%	0.818	S	S	*	*				-138.8	169.9	-53.2	40	-24.5	0	0	0	114.6
28	K	24.1	Very low	28.2	Very low	217 Å²	217	144.3 Å²	144.3	94%	0.943	81%	0.81	S	S	*	*			trans	-167.3	172	142.6	-113.7	167.6	-176.1	177.6	0	113
29	Q	28	Very low	28.3	Very low	184 Å²	184	144.9 Å²	144.9	86%	0.86	81%	0.81	S	S	*	*			trans	-142.2	132.2	-152.3	-177.5	-180	12.5	0	0	113.2
30	A	26.3	Very low	28.4	Very low	91 Å²	91	142.8 Å²	142.8	75%	0.752	81%	0.811	S	S	*	*			trans	55.4	146.5	164	0	0	0	0	0	118.4
31	Q	26.3	Very low	28.6	Very low	174 Å²	174	140.2 Å²	140.2	81%	0.813	81%	0.81	S	S	*	*			cis	-149.5	151.4	35.7	-83	-178.5	-32.3	0	0	114.5
32	I	35.3	Very low	28.8	Very low	148 Å²	148	138.5 Å²	138.5	76%	0.759	80%	0.804	S	S	*	*			trans	13.9	140.5	147.5	-22.2	175.2	0	0	0	120
33	P	29.8	Very low	29.3	Very low	116 Å²	116	143 Å²	143	75%	0.753	81%	0.81	S	S	*	*				-136.9	142.4	112.1	38.1	-28.8	0	0	0	116.2
34	F	26.6	Very low	30.4	Very low	204 Å²	204	138.4 Å²	138.4	90%	0.895	78%	0.781	S	S	*	*			trans	29.2	123	154.5	-74.2	-91.6	0	0	0	122.2
35	A	29.4	Very low	32.8	Very low	103 Å²	103	141.7 Å²	141.7	85%	0.851	79%	0.785	S	S	*	*			trans	-93.9	149.5	157.6	0	0	0	0	0	111.5
36	G	24.8	Very low	35.4	Very low	74 Å²	74	135.6 Å²	135.6	76%	0.763	76%	0.755	S	S	*	*			trans	-116	155.4	172.2	0	0	0	0	0	111.4	G38	G36-G38 PolarHBondContact O-N 2.71Å
37	F	33.3	Very low	38.4	Very low	209 Å²	209	128.5 Å²	128.5	92%	0.917	73%	0.727	S	S	*	*			trans	-65.5	125.6	-168.5	-87.4	-107.3	0	0	0	114.5
38	G	23.8	Very low	40.6	Very low	66 Å²	66	128.7 Å²	128.7	68%	0.68	72%	0.723	S	S	*	*			trans	-151.1	118.3	151.7	0	0	0	0	0	107.2	G36 A40	G36-G38 PolarHBondContact O-N 2.71Å; G38-A40 PolarHBondContact O-N 2.79Å
39	M	27.4	Very low	43.7	Very low	180 Å²	180	122 Å²	122	89%	0.887	70%	0.7	S	S	*	*			trans	-75.2	92	177.2	-76.1	-178.3	171.9	0	0	109.1
40	A	28.2	Very low	46.8	Very low	94 Å²	94	113.4 Å²	113.4	78%	0.777	66%	0.66	S	S	*	*			trans	-72.9	126.1	152.5	0	0	0	0	0	107.3	G38 S42	G38-A40 PolarHBondContact O-N 2.79Å; A40-S42 PolarHBondContact O-N 2.67Å
41	E	31.5	Very low	50.1	Low	187 Å²	187	109.1 Å²	109.1	87%	0.874	63%	0.625	S	S	*	*			trans	-59.7	129.1	162.1	-65.6	-175.5	133.1	0	0	107.7	E43	E41-E43 PolarHBondContact O-N 2.65Å; E41-E43 VanDerWaalsContact O-N 3.12Å
42	S	31	Very low	53.4	Low	99 Å²	99	100.8 Å²	100.8	69%	0.692	59%	0.586	S	S	*	*			trans	-66.1	113.5	172.1	48.3	0	0	0	0	108.1	A40 S44	A40-S42 PolarHBondContact O-N 2.67Å; S42-S44 VanDerWaalsContact C-N 3.3Å; S42-S44 PolarHBondContact O-N 3.06Å
43	E	40.3	Very low	56.3	Low	182 Å²	182	95 Å²	95	85%	0.85	56%	0.555	S	S	*	*			trans	-57.8	94.8	171.9	-71.4	-170.6	125.8	0	0	109.3	E41 L45	E41-E43 PolarHBondContact O-N 2.65Å; E41-E43 VanDerWaalsContact O-N 3.12Å; E43-L45 PolarHBondContact O-N 3.37Å
44	S	54.1	Low	59.5	Low	37 Å²	37	89.4 Å²	89.4	26%	0.259	52%	0.519	S	S	.	.			trans	-63.8	109.2	174.2	46	0	0	0	0	107.7	S42 V46 K67	S42-S44 VanDerWaalsContact C-N 3.3Å; S42-S44 PolarHBondContact O-N 3.06Å; S44-V46 PolarHBondContact O-N 3.32Å; S44-K67 PolarHBondContact O-NZ 3Å
45	L	76.7	Confident	62.7	Low	161 Å²	161	80.6 Å²	80.6	84%	0.843	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-53.9	124.3	177.7	-70.6	167.5	0	0	0	107.9	E43	E43-L45 PolarHBondContact O-N 3.37Å
46	V	81.1	Confident	65.8	Low	25 Å²	25	75.8 Å²	75.8	15%	0.152	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-58.7	127	173.5	173.3	0	0	0	0	106.6	S44 A51 K67 F387 P405	S44-V46 PolarHBondContact O-N 3.32Å; V46-A51 HydrophobicContact CG1-CB 3.76Å; V46-A51 HydrophobicContact CG2-CB 4.41Å; V46-K67 HydrophobicContact CG2-CD 3.91Å; V46-F387 HydrophobicContact CB-CE1 4.36Å; V46-F387 HydrophobicContact CG1-CE1 4.2Å; V46-F387 HydrophobicContact CG2-CE1 4.3Å; V46-P405 HydrophobicContact CB-CG 4.27Å; V46-P405 HydrophobicContact CG1-CG 3.92Å
47	P	86.7	Confident	69.1	Low	37 Å²	37	76.4 Å²	76.4	24%	0.24	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-62.1	156.3	-179.8	27.8	-36	0	0	0	110.1	T49 G50 W69	P47-T49 PolarHBondContact O-N 3.29Å; P47-G50 WeakPolarHBondContact O-CA 3.37Å; P47-G50 PolarHBondContact O-N 3.17Å; P47-W69 HydrophobicContact CG-CB 4.21Å; P47-W69 HydrophobicContact CG-CD2 4.14Å; P47-W69 HydrophobicContact CG-CG 3.79Å
48	D	87.2	Confident	71.9	Confident	115 Å²	115	66.5 Å²	66.5	62%	0.615	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-26.1	179.4	-56.5	-40.2	0	0	0	112.4	G50 L407	D48-G50 PolarHBondContact O-N 2.96Å; D48-L407 HydrophobicContact CB-CD1 4.27Å; D48-L407 HydrophobicContact CB-CD2 4.5Å
49	T	88.9	Confident	75.1	Confident	77 Å²	77	65.7 Å²	65.7	47%	0.472	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-1	172.6	59.3	0	0	0	0	114.9	P47 F402	P47-T49 PolarHBondContact O-N 3.29Å; T49-F402 VanDerWaalsContact O-CZ 3.32Å; T49-F402 WeakPolarHBondContact O-CZ 3.2Å
50	G	93.1	Very high	78.1	Confident	2 Å²	2	58.5 Å²	58.5	2%	0.021	32%	0.321	C	S	.	.			trans	83.1	177	178.2	0	0	0	0	0	116	P47 D48 A403	P47-G50 WeakPolarHBondContact O-CA 3.37Å; P47-G50 PolarHBondContact O-N 3.17Å; D48-G50 PolarHBondContact O-N 2.96Å; G50-A403 WeakPolarHBondContact CA-O 3.19Å
51	A	95.8	Very high	81	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.008	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	155	177.5	0	0	0	0	0	111.4	V46 F53 K67 F68 W69 F402 A403	V46-A51 HydrophobicContact CG1-CB 3.76Å; V46-A51 HydrophobicContact CG2-CB 4.41Å; A51-F53 HydrophobicContact CB-CE2 3.99Å; A51-F53 HydrophobicContact CB-CZ 4.27Å; A51-F53 VanDerWaalsContact O-CD2 3.25Å; A51-F53 WeakPolarHBondContact O-CD2 3.34Å; A51-F53 WeakPolarHBondContact O-CE2 3.48Å; A51-K67 HydrophobicContact CB-CB 4.49Å; A51-F68 CarbonylContact C-O 3.57Å; A51-F68 WeakPolarHBondContact CA-O 3.25Å; A51-F68 WeakPolarHBondContact CB-O 3.12Å; A51-W69 HydrophobicContact CB-CB 4.45Å; A51-W69 HydrophobicContact CB-CE3 4.25Å; A51-F402 WeakPolarHBondContact O-CD2 3.41Å; A51-A403 PolarHBondContact N-O 3.11Å; A51-A403 PolarHBondContact O-N 3.28Å; A51-A403 VanDerWaalsContact O-N 3.1Å
52	V	96.8	Very high	83.6	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	126.8	165.7	-179	0	0	0	0	107.9	K67 F68 F70 P75 I87 L400 F402	V52-K67 CarbonylContact O-C 3.54Å; V52-K67 VanDerWaalsContact O-CA 3.28Å; V52-K67 WeakPolarHBondContact O-CA 3.37Å; V52-F68 HydrophobicContact CB-CD1 4.49Å; V52-F68 HydrophobicContact CB-CD2 4.27Å; V52-F68 HydrophobicContact CB-CE1 4.12Å; V52-F68 HydrophobicContact CB-CE2 3.87Å; V52-F68 HydrophobicContact CB-CZ 3.79Å; V52-F68 HydrophobicContact CG1-CE1 3.89Å; V52-F68 HydrophobicContact CG1-CE2 4.21Å; V52-F68 HydrophobicContact CG1-CZ 3.63Å; V52-F68 HydrophobicContact CG2-CE2 4.09Å; V52-F68 HydrophobicContact CG2-CZ 4.33Å; V52-F68 PolarHBondContact N-O 3.04Å; V52-F68 PolarHBondContact O-N 3.45Å; V52-F70 HydrophobicContact CG2-CE2 4.49Å; V52-P75 HydrophobicContact CG2-CB 4.43Å; V52-P75 HydrophobicContact CG2-CG 3.44Å; V52-P75 VanDerWaalsContact CG2-CG 3.44Å; V52-I87 HydrophobicContact CG1-CD1 4.07Å; V52-I87 HydrophobicContact CG2-CD1 4.25Å; V52-L400 HydrophobicContact CG1-CD2 3.65Å; V52-L400 HydrophobicContact CG1-CG 4.1Å; V52-F402 HydrophobicContact CG2-CD2 4.33Å
53	F	95.8	Very high	86.3	Confident	25 Å²	25	53.5 Å²	53.5	11%	0.11	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	135.2	176.1	-61.7	-100.1	0	0	0	109.1	A51 F55 S66 K67 F384 F387 L400 V401 A403	A51-F53 HydrophobicContact CB-CE2 3.99Å; A51-F53 HydrophobicContact CB-CZ 4.27Å; A51-F53 VanDerWaalsContact O-CD2 3.25Å; A51-F53 WeakPolarHBondContact O-CD2 3.34Å; A51-F53 WeakPolarHBondContact O-CE2 3.48Å; F53-F55 HydrophobicContact CB-CE2 3.87Å; F53-F55 HydrophobicContact CB-CZ 4.06Å; F53-S66 WeakPolarHBondContact CA-O 3.41Å; F53-K67 HydrophobicContact CD1-CB 4.03Å; F53-K67 HydrophobicContact CE1-CB 4.11Å; F53-F384 HydrophobicContact CB-CE1 4.32Å; F53-F384 HydrophobicContact CB-CZ 3.9Å; F53-F384 HydrophobicContact CD1-CE1 4.21Å; F53-F384 HydrophobicContact CD1-CZ 4.31Å; F53-F384 AromaticContact CD2-CE1 3.69Å; F53-F384 HydrophobicContact CD2-CE1 3.69Å; F53-F384 HydrophobicContact CD2-CZ 4.16Å; F53-F384 HydrophobicContact CE1-CE1 4.45Å; F53-F384 AromaticContact CE2-CE1 3.98Å; F53-F384 HydrophobicContact CE2-CE1 3.98Å; F53-F384 AromaticContact CG-CE1 3.82Å; F53-F384 HydrophobicContact CG-CE1 3.82Å; F53-F384 AromaticContact CG-CZ 3.88Å; F53-F384 HydrophobicContact CG-CZ 3.88Å; F53-F384 HydrophobicContact CZ-CE1 4.35Å; F53-F387 HydrophobicContact CZ-CD1 4.27Å; F53-F387 AromaticContact CZ-CE1 3.85Å; F53-F387 HydrophobicContact CZ-CE1 3.85Å; F53-F387 HydrophobicContact CZ-CE2 4.48Å; F53-F387 AromaticContact CZ-CZ 3.97Å; F53-F387 HydrophobicContact CZ-CZ 3.97Å; F53-L400 WeakPolarHBondContact O-CA 3.35Å; F53-V401 HydrophobicContact CB-CB 4.47Å; F53-V401 PolarHBondContact N-O 3Å; F53-V401 PolarHBondContact O-N 3.09Å; F53-A403 HydrophobicContact CD2-CB 4.37Å; F53-A403 HydrophobicContact CE2-CB 4.05Å
54	T	96.1	Very high	88.6	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	127.9	-176.6	53.1	0	0	0	0	110.9	T58 F60 P65 S66 F68 F97 L400	T54-T58 HydrophobicContact CG2-CG2 4.2Å; T54-F60 HydrophobicContact CG2-CD1 4.24Å; T54-P65 WeakPolarHBondContact O-CA 3.23Å; T54-S66 PolarHBondContact N-O 3.16Å; T54-S66 PolarHBondContact O-N 3.45Å; T54-S66 PolarHBondContact OG1-O 3.1Å; T54-F68 HydrophobicContact CG2-CD1 4.46Å; T54-F68 HydrophobicContact CG2-CE1 3.79Å; T54-F97 HydrophobicContact CG2-CE2 4.28Å; T54-F97 HydrophobicContact CG2-CZ 4.16Å; T54-L400 HydrophobicContact CG2-CD1 4.08Å; T54-L400 HydrophobicContact CG2-CG 4.16Å
55	F	95.7	Very high	90.3	Very high	19 Å²	19	49.3 Å²	49.3	8%	0.083	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	149.8	177.7	-55.2	-78.8	0	0	0	111.4	F53 P65 F384 H398 M399 V401	F53-F55 HydrophobicContact CB-CE2 3.87Å; F53-F55 HydrophobicContact CB-CZ 4.06Å; F55-P65 HydrophobicContact CD1-CB 3.98Å; F55-P65 HydrophobicContact CD1-CG 4.43Å; F55-P65 HydrophobicContact CE1-CB 4.17Å; F55-F384 AromaticContact CE2-CE2 3.71Å; F55-F384 HydrophobicContact CE2-CE2 3.71Å; F55-F384 AromaticContact CE2-CZ 3.66Å; F55-F384 HydrophobicContact CE2-CZ 3.66Å; F55-F384 AromaticContact CZ-CE2 3.59Å; F55-F384 HydrophobicContact CZ-CE2 3.59Å; F55-F384 AromaticContact CZ-CZ 3.61Å; F55-F384 HydrophobicContact CZ-CZ 3.61Å; F55-H398 CarbonylContact O-C 3.53Å; F55-H398 VanDerWaalsContact O-CA 3.25Å; F55-H398 WeakPolarHBondContact O-CA 3.41Å; F55-H398 WeakPolarHBondContact O-CB 3.24Å; F55-M399 HydrophobicContact CB-CB 4.47Å; F55-M399 HydrophobicContact CD2-CE 3.7Å; F55-M399 HydrophobicContact CE2-CE 4.2Å; F55-M399 HydrophobicContact CG-CE 4.4Å; F55-M399 PolarHBondContact N-O 2.89Å; F55-M399 PolarHBondContact O-N 3.13Å; F55-V401 HydrophobicContact CD2-CG2 4.32Å; F55-V401 HydrophobicContact CE2-CB 4.44Å; F55-V401 HydrophobicContact CE2-CG2 3.98Å
56	G	94.4	Very high	91	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	71.2	-161.7	-176.8	0	0	0	0	0	113.9	T58 H362	G56-T58 VanDerWaalsContact C-N 3.26Å; G56-T58 PolarHBondContact O-N 3.18Å; G56-H362 WeakPolarHBondContact CA-O 3.23Å
57	K	94.3	Very high	91.6	Very high	87 Å²	87	45.5 Å²	45.5	38%	0.378	24%	0.239	S	C	.	.	S	Bend	trans	-79	60.4	-171.2	-80.1	176.4	169.6	165.1	0	113.9	K59 N63 H362 C397	K57-K59 PolarHBondContact O-N 3Å; K57-N63 VanDerWaalsContact CA-OD1 3.24Å; K57-N63 WeakPolarHBondContact CA-OD1 3.04Å; K57-H362 WeakPolarHBondContact CE-CE1 3.47Å; K57-H362 WeakPolarHBondContact CE-NE2 3.44Å; K57-H362 HydrophobicContact CG-CB 4.28Å; K57-H362 PolarHBondContact NZ-CE1 2.86Å; K57-H362 PolarHBondContact NZ-NE2 3.39Å; K57-C397 HydrophobicContact CB-CB 3.98Å; K57-C397 HydrophobicContact CD-CB 4.36Å; K57-C397 PolarHBondContact N-O 3.11Å
58	T	91.9	Very high	91.9	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.006	23%	0.233	C	C	.	.			trans	-72.6	-8.1	175.7	55	0	0	0	0	114.4	T54 G56 F60 H398 L400	T54-T58 HydrophobicContact CG2-CG2 4.2Å; G56-T58 VanDerWaalsContact C-N 3.26Å; G56-T58 PolarHBondContact O-N 3.18Å; T58-F60 PolarHBondContact O-N 3.25Å; T58-F60 PolarHBondContact OG1-N 3.24Å; T58-H398 HydrophobicContact CG2-CB 3.67Å; T58-L400 HydrophobicContact CG2-CD1 3.9Å
59	K	90.7	Very high	92.3	Very high	49 Å²	49	43.8 Å²	43.8	21%	0.213	22%	0.22	C	C	.	.	S	Bend	trans	60.1	-2	-167.3	-40.3	-168.6	-171.4	-169.9	0	114.1	K57 N63 E83 S99 I114	K57-K59 PolarHBondContact O-N 3Å; K59-N63 WeakPolarHBondContact CA-OD1 3.35Å; K59-N63 PolarHBondContact N-OD1 3.03Å; K59-E83 VanDerWaalsContact NZ-CD 3.33Å; K59-E83 IonicContact NZ-OE1 2.74Å; K59-E83 PolarHBondContact NZ-OE1 3.47Å; K59-E83 IonicContact NZ-OE2 3.68Å; K59-E83 PolarHBondContact NZ-OE2 3.39Å; K59-S99 VanDerWaalsContact NZ-CB 3.3Å; K59-S99 PolarHBondContact NZ-OG 2.89Å; K59-I114 WeakPolarHBondContact O-CA 3.32Å; K59-I114 VanDerWaalsContact O-CB 3.3Å; K59-I114 WeakPolarHBondContact O-CB 3.5Å; K59-I114 WeakPolarHBondContact O-CG2 3.17Å
60	F	89.9	Confident	92.4	Very high	29 Å²	29	41.2 Å²	41.2	13%	0.127	20%	0.203	C	C	.	.	S	Bend	trans	-79.4	145.2	167.1	-178.7	-107.1	0	0	0	110.7	T54 T58 E62 N63 F68 F97 I114	T54-F60 HydrophobicContact CG2-CD1 4.24Å; T58-F60 PolarHBondContact O-N 3.25Å; T58-F60 PolarHBondContact OG1-N 3.24Å; F60-E62 VanDerWaalsContact C-N 3.27Å; F60-E62 PolarHBondContact O-N 3.4Å; F60-E62 VanDerWaalsContact O-N 3.09Å; F60-N63 WeakPolarHBondContact O-CA 3.44Å; F60-N63 PolarHBondContact O-N 2.62Å; F60-F68 HydrophobicContact CD1-CD1 4.33Å; F60-F68 AromaticContact CE1-CD1 3.74Å; F60-F68 HydrophobicContact CE1-CD1 3.74Å; F60-F68 HydrophobicContact CE1-CE1 4.42Å; F60-F68 HydrophobicContact CE2-CD1 4.32Å; F60-F68 HydrophobicContact CZ-CB 4.22Å; F60-F68 AromaticContact CZ-CD1 3.74Å; F60-F68 HydrophobicContact CZ-CD1 3.74Å; F60-F68 HydrophobicContact CZ-CG 4.31Å; F60-F97 HydrophobicContact CB-CD2 4Å; F60-F97 HydrophobicContact CB-CE2 3.84Å; F60-I114 WeakPolarHBondContact CD2-O 3.34Å
61	A	88.4	Confident	92.2	Very high	40 Å²	40	49.9 Å²	49.9	33%	0.331	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	43.9	46.9	173.5	0	0	0	0	0	114.5	N63 I64 S66	A61-N63 PolarHBondContact O-N 2.69Å; A61-I64 WeakPolarHBondContact O-CB 3.42Å; A61-I64 PolarHBondContact O-N 2.86Å; A61-S66 WeakPolarHBondContact CB-OG 3.4Å
62	E	87.1	Confident	91.9	Very high	172 Å²	172	56.8 Å²	56.8	80%	0.804	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	57.3	18.9	-179.2	-58.8	-177.3	-166.6	0	0	114.9	F60 I64	F60-E62 VanDerWaalsContact C-N 3.27Å; F60-E62 PolarHBondContact O-N 3.4Å; F60-E62 VanDerWaalsContact O-N 3.09Å; E62-I64 VanDerWaalsContact C-N 3.27Å; E62-I64 HydrophobicContact CB-CG1 4.49Å
63	N	88	Confident	91.7	Very high	63 Å²	63	57.5 Å²	57.5	34%	0.337	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	68.9	17.8	-173.1	-38.5	-86	0	0	0	114.3	K57 K59 F60 A61	K57-N63 VanDerWaalsContact CA-OD1 3.24Å; K57-N63 WeakPolarHBondContact CA-OD1 3.04Å; K59-N63 WeakPolarHBondContact CA-OD1 3.35Å; K59-N63 PolarHBondContact N-OD1 3.03Å; F60-N63 WeakPolarHBondContact O-CA 3.44Å; F60-N63 PolarHBondContact O-N 2.62Å; A61-N63 PolarHBondContact O-N 2.69Å
64	I	87.7	Confident	91.7	Very high	89 Å²	89	60 Å²	60	46%	0.456	29%	0.294	S	S	.	.			trans	-76.7	137.2	171.4	-58.1	174.8	0	0	0	108.4	A61 E62 S66 M369	A61-I64 WeakPolarHBondContact O-CB 3.42Å; A61-I64 PolarHBondContact O-N 2.86Å; E62-I64 VanDerWaalsContact C-N 3.27Å; E62-I64 HydrophobicContact CB-CG1 4.49Å; I64-S66 WeakPolarHBondContact O-CB 3.29Å; I64-S66 PolarHBondContact O-N 2.83Å; I64-S66 PolarHBondContact O-OG 3.4Å; I64-M369 HydrophobicContact CG2-CE 4.16Å
65	P	89.6	Confident	91.7	Very high	43 Å²	43	60.4 Å²	60.4	28%	0.279	30%	0.297	S	S	.	.	S	Bend	trans	-51.3	114.4	173.2	-29.6	37.2	0	0	0	111.8	T54 F55 M369	T54-P65 WeakPolarHBondContact O-CA 3.23Å; F55-P65 HydrophobicContact CD1-CB 3.98Å; F55-P65 HydrophobicContact CD1-CG 4.43Å; F55-P65 HydrophobicContact CE1-CB 4.17Å; P65-M369 HydrophobicContact CB-CG 4.47Å; P65-M369 HydrophobicContact CG-CG 4.38Å
66	S	92	Very high	91.7	Very high	30 Å²	30	63.1 Å²	63.1	21%	0.21	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	166.1	-163.3	-68.5	0	0	0	0	112.4	F53 T54 A61 I64	F53-S66 WeakPolarHBondContact CA-O 3.41Å; T54-S66 PolarHBondContact N-O 3.16Å; T54-S66 PolarHBondContact O-N 3.45Å; T54-S66 PolarHBondContact OG1-O 3.1Å; A61-S66 WeakPolarHBondContact CB-OG 3.4Å; I64-S66 WeakPolarHBondContact O-CB 3.29Å; I64-S66 PolarHBondContact O-N 2.83Å; I64-S66 PolarHBondContact O-OG 3.4Å
67	K	92.8	Very high	91.8	Very high	75 Å²	75	64.3 Å²	64.3	33%	0.326	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	147.4	-180	64.5	178.3	179.5	175.4	0	111.8	S44 V46 A51 V52 F53	S44-K67 PolarHBondContact O-NZ 3Å; V46-K67 HydrophobicContact CG2-CD 3.91Å; A51-K67 HydrophobicContact CB-CB 4.49Å; V52-K67 CarbonylContact O-C 3.54Å; V52-K67 VanDerWaalsContact O-CA 3.28Å; V52-K67 WeakPolarHBondContact O-CA 3.37Å; F53-K67 HydrophobicContact CD1-CB 4.03Å; F53-K67 HydrophobicContact CE1-CB 4.11Å
68	F	94.4	Very high	91.9	Very high	24 Å²	24	61 Å²	61	11%	0.105	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	166	166	65.6	-92.6	0	0	0	110.9	A51 V52 T54 F60 F70 I87 F97 P116	A51-F68 CarbonylContact C-O 3.57Å; A51-F68 WeakPolarHBondContact CA-O 3.25Å; A51-F68 WeakPolarHBondContact CB-O 3.12Å; V52-F68 HydrophobicContact CB-CD1 4.49Å; V52-F68 HydrophobicContact CB-CD2 4.27Å; V52-F68 HydrophobicContact CB-CE1 4.12Å; V52-F68 HydrophobicContact CB-CE2 3.87Å; V52-F68 HydrophobicContact CB-CZ 3.79Å; V52-F68 HydrophobicContact CG1-CE1 3.89Å; V52-F68 HydrophobicContact CG1-CE2 4.21Å; V52-F68 HydrophobicContact CG1-CZ 3.63Å; V52-F68 HydrophobicContact CG2-CE2 4.09Å; V52-F68 HydrophobicContact CG2-CZ 4.33Å; V52-F68 PolarHBondContact N-O 3.04Å; V52-F68 PolarHBondContact O-N 3.45Å; T54-F68 HydrophobicContact CG2-CD1 4.46Å; T54-F68 HydrophobicContact CG2-CE1 3.79Å; F60-F68 HydrophobicContact CD1-CD1 4.33Å; F60-F68 AromaticContact CE1-CD1 3.74Å; F60-F68 HydrophobicContact CE1-CD1 3.74Å; F60-F68 HydrophobicContact CE1-CE1 4.42Å; F60-F68 HydrophobicContact CE2-CD1 4.32Å; F60-F68 HydrophobicContact CZ-CB 4.22Å; F60-F68 AromaticContact CZ-CD1 3.74Å; F60-F68 HydrophobicContact CZ-CD1 3.74Å; F60-F68 HydrophobicContact CZ-CG 4.31Å; F68-F70 HydrophobicContact CD2-CZ 4.49Å; F68-F70 HydrophobicContact CE2-CE1 4.45Å; F68-F70 HydrophobicContact CE2-CE2 4.08Å; F68-F70 AromaticContact CE2-CZ 3.81Å; F68-F70 HydrophobicContact CE2-CZ 3.81Å; F68-I87 HydrophobicContact CE2-CD1 4.02Å; F68-I87 HydrophobicContact CZ-CD1 3.66Å; F68-F97 HydrophobicContact CE1-CZ 4.13Å; F68-F97 HydrophobicContact CZ-CE1 4.16Å; F68-F97 HydrophobicContact CZ-CZ 4.12Å; F68-P116 HydrophobicContact CD1-CG 4.27Å; F68-P116 HydrophobicContact CD2-CG 4.14Å; F68-P116 HydrophobicContact CE1-CG 3.75Å; F68-P116 HydrophobicContact CE2-CB 4.21Å; F68-P116 HydrophobicContact CE2-CG 3.62Å; F68-P116 HydrophobicContact CG-CG 4.45Å; F68-P116 HydrophobicContact CZ-CB 4.29Å; F68-P116 HydrophobicContact CZ-CG 3.39Å
69	W	94.4	Very high	92.2	Very high	93 Å²	93	61.9 Å²	61.9	35%	0.352	31%	0.312	S	S	.	.			trans	-144.7	164.4	175.2	56.6	92.3	0	0	0	109.9	P47 A51	P47-W69 HydrophobicContact CG-CB 4.21Å; P47-W69 HydrophobicContact CG-CD2 4.14Å; P47-W69 HydrophobicContact CG-CG 3.79Å; A51-W69 HydrophobicContact CB-CB 4.45Å; A51-W69 HydrophobicContact CB-CE3 4.25Å
70	F	92.6	Very high	92.6	Very high	22 Å²	22	60.2 Å²	60.2	10%	0.096	31%	0.306	C	S	.	.			trans	-97.3	147.9	175.3	-58.3	-77.6	0	0	0	110	V52 F68 N72 D73 P75 I87 T89 Y95	V52-F70 HydrophobicContact CG2-CE2 4.49Å; F68-F70 HydrophobicContact CD2-CZ 4.49Å; F68-F70 HydrophobicContact CE2-CE1 4.45Å; F68-F70 HydrophobicContact CE2-CE2 4.08Å; F68-F70 AromaticContact CE2-CZ 3.81Å; F68-F70 HydrophobicContact CE2-CZ 3.81Å; F70-N72 PolarHBondContact O-N 2.93Å; F70-D73 HydrophobicContact CB-CB 3.52Å; F70-D73 HydrophobicContact CG-CB 4.41Å; F70-P75 HydrophobicContact CD2-CG 4.38Å; F70-P75 HydrophobicContact CE2-CG 4.26Å; F70-I87 HydrophobicContact CE2-CG2 3.96Å; F70-I87 HydrophobicContact CZ-CD1 4.36Å; F70-I87 HydrophobicContact CZ-CG2 4.19Å; F70-T89 HydrophobicContact CD2-CG2 3.9Å; F70-T89 HydrophobicContact CE1-CG2 4.44Å; F70-T89 HydrophobicContact CE2-CG2 3.82Å; F70-T89 HydrophobicContact CG-CG2 4.25Å; F70-T89 HydrophobicContact CZ-CG2 4.09Å; F70-Y95 HydrophobicContact CD1-CD1 4.45Å; F70-Y95 HydrophobicContact CD1-CD2 4.45Å; F70-Y95 HydrophobicContact CD1-CE1 4.04Å; F70-Y95 HydrophobicContact CD1-CE2 4.04Å; F70-Y95 AromaticContact CD1-CZ 3.82Å; F70-Y95 AromaticContact CE1-CD1 3.6Å; F70-Y95 HydrophobicContact CE1-CD1 3.6Å; F70-Y95 AromaticContact CE1-CD2 3.76Å; F70-Y95 HydrophobicContact CE1-CD2 3.76Å; F70-Y95 AromaticContact CE1-CE1 3.62Å; F70-Y95 HydrophobicContact CE1-CE1 3.62Å; F70-Y95 AromaticContact CE1-CE2 3.79Å; F70-Y95 HydrophobicContact CE1-CE2 3.79Å; F70-Y95 AromaticContact CE1-CG 3.66Å; F70-Y95 HydrophobicContact CE1-CG 3.66Å; F70-Y95 AromaticContact CE1-CZ 3.73Å; F70-Y95 HydrophobicContact CZ-CD1 4.33Å; F70-Y95 HydrophobicContact CZ-CD2 4.06Å; F70-Y95 HydrophobicContact CZ-CE2 4.44Å; F70-Y95 AromaticContact CZ-CG 4Å; F70-Y95 HydrophobicContact CZ-CG 4Å
71	K	88.9	Confident	92.9	Very high	185 Å²	185	59 Å²	59	80%	0.804	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	117.1	178.2	-177.3	176.4	-179.9	177.7	0	109.7	D73	K71-D73 PolarHBondContact O-N 2.8Å
72	N	88.1	Confident	93.3	Very high	146 Å²	146	58.9 Å²	58.9	78%	0.781	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	36.7	-178.4	-53.6	18.6	0	0	0	112.4	F70 N91	F70-N72 PolarHBondContact O-N 2.93Å; N72-N91 PolarHBondContact O-ND2 3.04Å
73	D	93.6	Very high	93.8	Very high	14 Å²	14	53.8 Å²	53.8	8%	0.075	27%	0.272	C	S	.	.			trans	-149.1	150.4	179.5	-130.3	-42.3	0	0	0	108.1	F70 K71 T89 G90 N91 K93	F70-D73 HydrophobicContact CB-CB 3.52Å; F70-D73 HydrophobicContact CG-CB 4.41Å; K71-D73 PolarHBondContact O-N 2.8Å; D73-T89 VanDerWaalsContact CG-OG1 3.27Å; D73-T89 WeakPolarHBondContact OD1-CB 3.18Å; D73-T89 PolarHBondContact OD1-OG1 2.84Å; D73-T89 PolarHBondContact OD2-OG1 3.35Å; D73-G90 PolarHBondContact OD1-N 3Å; D73-N91 WeakPolarHBondContact OD1-CB 3.33Å; D73-N91 PolarHBondContact OD1-N 3.46Å; D73-N91 PolarHBondContact OD1-ND2 3.19Å; D73-N91 WeakPolarHBondContact OD2-CB 3.25Å; D73-N91 PolarHBondContact OD2-ND2 2.87Å; D73-K93 IonicContact OD2-NZ 2.62Å; D73-K93 PolarHBondContact OD2-NZ 2.84Å
74	I	94.6	Very high	94.2	Very high	79 Å²	79	50.8 Å²	50.8	41%	0.405	26%	0.256	S	S	.	.			trans	-127.2	146.3	175.3	57.1	174.9	0	0	0	110	T89 G90	I74-T89 CarbonylContact O-C 3.49Å; I74-T89 WeakPolarHBondContact O-CA 3.42Å; I74-T89 WeakPolarHBondContact O-CB 3.32Å; I74-G90 PolarHBondContact O-N 2.86Å
75	P	96.4	Very high	94.7	Very high	8 Å²	8	46.6 Å²	46.6	5%	0.052	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	137.8	167	-17.9	31.9	0	0	0	110.8	V52 F70 L78 I87 L391 F402	V52-P75 HydrophobicContact CG2-CB 4.43Å; V52-P75 HydrophobicContact CG2-CG 3.44Å; V52-P75 VanDerWaalsContact CG2-CG 3.44Å; F70-P75 HydrophobicContact CD2-CG 4.38Å; F70-P75 HydrophobicContact CE2-CG 4.26Å; P75-L78 HydrophobicContact CB-CD2 4.15Å; P75-I87 HydrophobicContact CB-CG2 4.06Å; P75-L391 HydrophobicContact CB-CD1 4.23Å; P75-F402 HydrophobicContact CB-CB 4.48Å; P75-F402 HydrophobicContact CB-CD1 4.33Å; P75-F402 HydrophobicContact CB-CD2 4.4Å; P75-F402 HydrophobicContact CB-CG 4.15Å; P75-F402 HydrophobicContact CG-CB 4.42Å; P75-F402 HydrophobicContact CG-CD1 4.38Å; P75-F402 HydrophobicContact CG-CD2 3.64Å; P75-F402 HydrophobicContact CG-CE2 3.96Å; P75-F402 HydrophobicContact CG-CG 3.89Å; P75-F402 HydrophobicContact CG-CZ 4.45Å
76	I	95.6	Very high	95.1	Very high	75 Å²	75	44.6 Å²	44.6	39%	0.385	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	-25.4	172.2	61.3	169.8	0	0	0	112.5	V88	I76-V88 HydrophobicContact CD1-CG1 4.06Å; I76-V88 HydrophobicContact CG1-CB 4.15Å; I76-V88 HydrophobicContact CG1-CG1 4.06Å; I76-V88 WeakPolarHBondContact CG1-O 3.25Å; I76-V88 PolarHBondContact N-O 2.77Å
77	C	96.1	Very high	95.4	Very high	26 Å²	26	43.1 Å²	43.1	18%	0.176	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	137.2	174.6	-175.7	0	0	0	0	109.1	V88	C77-V88 HydrophobicContact CB-CB 3.99Å; C77-V88 HydrophobicContact CB-CG2 4.07Å; C77-V88 PolarHBondContact N-O 3.12Å; C77-V88 PolarHBondContact O-N 2.71Å
78	L	97.9	Very high	95.6	Very high	18 Å²	18	39.6 Å²	39.6	9%	0.094	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	138.4	171.8	-59.1	179.1	0	0	0	108	P75 I87 L391 A393 L400 F402	P75-L78 HydrophobicContact CB-CD2 4.15Å; L78-I87 HydrophobicContact CD2-CB 4.35Å; L78-I87 HydrophobicContact CD2-CD1 4.12Å; L78-I87 HydrophobicContact CD2-CG1 3.8Å; L78-I87 HydrophobicContact CD2-CG2 3.98Å; L78-L391 HydrophobicContact CD1-CB 3.61Å; L78-L391 HydrophobicContact CG-CB 3.91Å; L78-L391 HydrophobicContact CG-CD1 4.16Å; L78-A393 HydrophobicContact CB-CB 3.75Å; L78-L400 HydrophobicContact CD1-CB 4.3Å; L78-L400 HydrophobicContact CD2-CD2 4.24Å; L78-F402 HydrophobicContact CD1-CB 4.01Å
79	S	98	Very high	95.7	Very high	20 Å²	20	38.5 Å²	38.5	14%	0.14	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	141.3	170.4	-171.5	0	0	0	0	110.6	T85 A86 A130 A131 C132	S79-T85 WeakPolarHBondContact O-CA 3.36Å; S79-A86 PolarHBondContact N-O 2.85Å; S79-A86 PolarHBondContact O-N 2.69Å; S79-A130 WeakPolarHBondContact CB-O 3.46Å; S79-A131 WeakPolarHBondContact OG-CA 3.19Å; S79-C132 PolarHBondContact OG-N 3.1Å
80	C	98	Very high	95.7	Very high	13 Å²	13	35.6 Å²	35.6	9%	0.088	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	123	-176.5	-69.5	0	0	0	0	108.8	A393	C80-A393 HydrophobicContact CB-CB 4.06Å; C80-A393 WeakPolarHBondContact SG-CB 3.42Å; C80-A393 PolarHBondContact SG-O 3.2Å
81	G	97	Very high	95.7	Very high	5 Å²	5	38.9 Å²	38.9	5%	0.052	21%	0.209	C	C	.	.			trans	-91.9	-156.2	171.4	0	0	0	0	0	111.9	H84 C132 G133 G395 G396 H398	G81-H84 PolarHBondContact N-O 3.49Å; G81-C132 VanDerWaalsContact CA-O 3.27Å; G81-C132 WeakPolarHBondContact CA-O 3.49Å; G81-G133 VanDerWaalsContact CA-O 3.26Å; G81-G133 WeakPolarHBondContact CA-O 3.32Å; G81-G395 CarbonylContact O-C 3.24Å; G81-G395 WeakPolarHBondContact O-CA 3.43Å; G81-G396 PolarHBondContact O-N 2.98Å; G81-H398 PolarHBondContact O-NE2 2.74Å
82	D	96.8	Very high	96	Very high	36 Å²	36	32.4 Å²	32.4	19%	0.193	18%	0.183	C	C	.	.	S	Bend	trans	-63.5	-50.8	179.7	-166.8	40.3	0	0	0	111.7	R134 Y237 G396 C397 H398	D82-R134 HydrophobicContact CB-CB 4.37Å; D82-R134 HydrophobicContact CB-CG 3.92Å; D82-R134 IonicContact OD2-NE 2.66Å; D82-Y237 PolarHBondContact OD1-OH 3.05Å; D82-G396 PolarHBondContact O-N 3.31Å; D82-C397 PolarHBondContact O-N 2.7Å; D82-C397 PolarHBondContact O-SG 3.28Å; D82-H398 PolarHBondContact O-CE1 3.31Å; D82-H398 PolarHBondContact O-NE2 2.92Å
83	E	97	Very high	96.4	Very high	66 Å²	66	28.4 Å²	28.4	31%	0.308	16%	0.159	S	C	.	.	S	Bend	trans	-130.9	6.6	179.9	-60.5	-158.6	124.5	0	0	115.4	K59 S99 H398	K59-E83 VanDerWaalsContact NZ-CD 3.33Å; K59-E83 IonicContact NZ-OE1 2.74Å; K59-E83 PolarHBondContact NZ-OE1 3.47Å; K59-E83 IonicContact NZ-OE2 3.68Å; K59-E83 PolarHBondContact NZ-OE2 3.39Å; E83-S99 VanDerWaalsContact CB-CB 3.46Å; E83-S99 PolarHBondContact O-N 2.78Å; E83-S99 WeakPolarHBondContact OE2-CB 3.42Å; E83-S99 PolarHBondContact OE2-OG 2.91Å; E83-H398 VanDerWaalsContact C-NE2 3.25Å; E83-H398 WeakPolarHBondContact CA-NE2 3.23Å; E83-H398 PolarHBondContact N-NE2 2.92Å
84	H	97.6	Very high	96.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	164.8	-177.2	73	-80.7	0	0	0	113.7	G81 Q104 L105 C132 G133 H136 T137 H398	G81-H84 PolarHBondContact N-O 3.49Å; H84-Q104 HydrophobicContact CB-CG 4.23Å; H84-Q104 PolarHBondContact ND1-NE2 3.04Å; H84-L105 HydrophobicContact CB-CD2 3.89Å; H84-C132 WeakPolarHBondContact NE2-CA 3.2Å; H84-C132 VanDerWaalsContact NE2-CB 3.32Å; H84-C132 WeakPolarHBondContact NE2-CB 3.25Å; H84-C132 PolarHBondContact NE2-SG 2.97Å; H84-C132 VanDerWaalsContact NE2-SG 3.35Å; H84-G133 PolarHBondContact CE1-O 2.87Å; H84-H136 PolarHBondContact CE1-N 3.15Å; H84-H136 PolarHBondContact CE1-O 2.82Å; H84-H136 PolarHBondContact NE2-O 3.34Å; H84-T137 PolarHBondContact CD2-OG1 2.88Å; H84-T137 VanDerWaalsContact NE2-CB 3.29Å; H84-T137 WeakPolarHBondContact NE2-CB 3.36Å; H84-T137 PolarHBondContact NE2-OG1 2.87Å; H84-H398 PolarHBondContact N-NE2 3.22Å; H84-H398 PolarHBondContact O-NE2 2.8Å
85	T	97.6	Very high	96.6	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	136.4	-169.1	-52.2	0	0	0	0	111.3	S79 I87 M96 F97 L400	S79-T85 WeakPolarHBondContact O-CA 3.36Å; T85-I87 HydrophobicContact CG2-CG1 4.44Å; T85-M96 WeakPolarHBondContact O-CA 3.41Å; T85-F97 HydrophobicContact CG2-CD1 4.39Å; T85-F97 HydrophobicContact CG2-CE1 3.67Å; T85-F97 HydrophobicContact CG2-CZ 3.84Å; T85-F97 PolarHBondContact N-O 3.18Å; T85-F97 PolarHBondContact O-N 2.88Å; T85-F97 VanDerWaalsContact O-N 3.15Å; T85-L400 HydrophobicContact CG2-CD1 3.66Å; T85-L400 HydrophobicContact CG2-CD2 3.43Å; T85-L400 VanDerWaalsContact CG2-CD2 3.43Å; T85-L400 HydrophobicContact CG2-CG 4.14Å
86	A	97.9	Very high	96.7	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.008	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	142.2	168.1	0	0	0	0	0	111.3	S79 L94 M96 A130 C132	S79-A86 PolarHBondContact N-O 2.85Å; S79-A86 PolarHBondContact O-N 2.69Å; A86-L94 HydrophobicContact CB-CD1 4.11Å; A86-M96 HydrophobicContact CB-CE 3.95Å; A86-M96 HydrophobicContact CB-SD 3.45Å; A86-M96 WeakPolarHBondContact CB-SD 3.47Å; A86-A130 HydrophobicContact CB-CB 3.77Å; A86-C132 WeakPolarHBondContact CB-SG 3.48Å
87	I	98	Very high	96.8	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	123.8	169.4	-56.2	-177.7	0	0	0	108.5	V52 F68 F70 P75 L78 T85 T89 Y95 F97 L400	V52-I87 HydrophobicContact CG1-CD1 4.07Å; V52-I87 HydrophobicContact CG2-CD1 4.25Å; F68-I87 HydrophobicContact CE2-CD1 4.02Å; F68-I87 HydrophobicContact CZ-CD1 3.66Å; F70-I87 HydrophobicContact CE2-CG2 3.96Å; F70-I87 HydrophobicContact CZ-CD1 4.36Å; F70-I87 HydrophobicContact CZ-CG2 4.19Å; P75-I87 HydrophobicContact CB-CG2 4.06Å; L78-I87 HydrophobicContact CD2-CB 4.35Å; L78-I87 HydrophobicContact CD2-CD1 4.12Å; L78-I87 HydrophobicContact CD2-CG1 3.8Å; L78-I87 HydrophobicContact CD2-CG2 3.98Å; T85-I87 HydrophobicContact CG2-CG1 4.44Å; I87-T89 HydrophobicContact CG2-CG2 4.29Å; I87-Y95 PolarHBondContact N-O 2.98Å; I87-Y95 PolarHBondContact O-N 3.05Å; I87-F97 HydrophobicContact CD1-CE1 3.96Å; I87-F97 HydrophobicContact CG1-CE1 4.37Å; I87-L400 HydrophobicContact CD1-CD2 3.79Å; I87-L400 HydrophobicContact CG1-CD2 4.11Å
88	V	97.4	Very high	96.8	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.006	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	134.8	166.1	-168.3	0	0	0	0	108.6	I76 C77 K93 L94 V127 A130	I76-V88 HydrophobicContact CD1-CG1 4.06Å; I76-V88 HydrophobicContact CG1-CB 4.15Å; I76-V88 HydrophobicContact CG1-CG1 4.06Å; I76-V88 WeakPolarHBondContact CG1-O 3.25Å; I76-V88 PolarHBondContact N-O 2.77Å; C77-V88 HydrophobicContact CB-CB 3.99Å; C77-V88 HydrophobicContact CB-CG2 4.07Å; C77-V88 PolarHBondContact N-O 3.12Å; C77-V88 PolarHBondContact O-N 2.71Å; V88-K93 WeakPolarHBondContact CA-O 3.23Å; V88-L94 HydrophobicContact CG2-CD1 4.23Å; V88-V127 HydrophobicContact CB-CG1 4.38Å; V88-V127 HydrophobicContact CG1-CB 4.13Å; V88-V127 HydrophobicContact CG1-CG1 3.74Å; V88-V127 HydrophobicContact CG2-CG1 3.7Å; V88-A130 HydrophobicContact CG2-CB 4.04Å
89	T	96.2	Very high	96.7	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	160.6	179.1	76.1	0	0	0	0	112.7	F70 D73 I74 I87 N91 N92 K93 Y95	F70-T89 HydrophobicContact CD2-CG2 3.9Å; F70-T89 HydrophobicContact CE1-CG2 4.44Å; F70-T89 HydrophobicContact CE2-CG2 3.82Å; F70-T89 HydrophobicContact CG-CG2 4.25Å; F70-T89 HydrophobicContact CZ-CG2 4.09Å; D73-T89 VanDerWaalsContact CG-OG1 3.27Å; D73-T89 WeakPolarHBondContact OD1-CB 3.18Å; D73-T89 PolarHBondContact OD1-OG1 2.84Å; D73-T89 PolarHBondContact OD2-OG1 3.35Å; I74-T89 CarbonylContact O-C 3.49Å; I74-T89 WeakPolarHBondContact O-CA 3.42Å; I74-T89 WeakPolarHBondContact O-CB 3.32Å; I87-T89 HydrophobicContact CG2-CG2 4.29Å; T89-N91 PolarHBondContact O-N 3.31Å; T89-N92 VanDerWaalsContact O-CA 3.31Å; T89-N92 WeakPolarHBondContact O-CA 3.43Å; T89-N92 PolarHBondContact O-N 3.22Å; T89-K93 PolarHBondContact N-O 3.22Å; T89-Y95 HydrophobicContact CG2-CD2 3.73Å; T89-Y95 HydrophobicContact CG2-CE2 3.75Å
90	G	93.4	Very high	96.7	Very high	33 Å²	33	19 Å²	19	34%	0.34	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-28.3	-176.4	0	0	0	0	0	114.4	D73 I74 N92	D73-G90 PolarHBondContact OD1-N 3Å; I74-G90 PolarHBondContact O-N 2.86Å; G90-N92 PolarHBondContact O-N 3Å
91	N	93.9	Very high	96.6	Very high	90 Å²	90	22.9 Å²	22.9	48%	0.481	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	28.5	167.6	-65	-44.4	0	0	0	112.9	N72 D73 T89 K93	N72-N91 PolarHBondContact O-ND2 3.04Å; D73-N91 WeakPolarHBondContact OD1-CB 3.33Å; D73-N91 PolarHBondContact OD1-N 3.46Å; D73-N91 PolarHBondContact OD1-ND2 3.19Å; D73-N91 WeakPolarHBondContact OD2-CB 3.25Å; D73-N91 PolarHBondContact OD2-ND2 2.87Å; T89-N91 PolarHBondContact O-N 3.31Å; N91-K93 VanDerWaalsContact C-N 3.32Å; N91-K93 VanDerWaalsContact O-CG 3.3Å; N91-K93 WeakPolarHBondContact O-CG 3.37Å; N91-K93 PolarHBondContact O-N 3.03Å
92	N	94.9	Very high	96.6	Very high	50 Å²	50	27.5 Å²	27.5	27%	0.267	14%	0.14	S	C	.	.	S	Bend	trans	54.3	31.2	176.2	-59.1	109.3	0	0	0	116.9	T89 G90 K126 V127	T89-N92 VanDerWaalsContact O-CA 3.31Å; T89-N92 WeakPolarHBondContact O-CA 3.43Å; T89-N92 PolarHBondContact O-N 3.22Å; G90-N92 PolarHBondContact O-N 3Å; N92-K126 HydrophobicContact CB-CB 3.59Å; N92-K126 HydrophobicContact CB-CG 4.1Å; N92-V127 WeakPolarHBondContact CA-O 3.29Å; N92-V127 WeakPolarHBondContact CB-O 3.03Å; N92-V127 PolarHBondContact ND2-O 2.96Å; N92-V127 PolarHBondContact O-N 2.91Å
93	K	95.5	Very high	96.6	Very high	61 Å²	61	25.8 Å²	25.8	27%	0.265	13%	0.13	S	C	.	.			trans	-103	138.1	179.9	-45.8	-169.3	-162.5	71.5	0	111.5	D73 V88 T89 N91 Y95	D73-K93 IonicContact OD2-NZ 2.62Å; D73-K93 PolarHBondContact OD2-NZ 2.84Å; V88-K93 WeakPolarHBondContact CA-O 3.23Å; T89-K93 PolarHBondContact N-O 3.22Å; N91-K93 VanDerWaalsContact C-N 3.32Å; N91-K93 VanDerWaalsContact O-CG 3.3Å; N91-K93 WeakPolarHBondContact O-CG 3.37Å; N91-K93 PolarHBondContact O-N 3.03Å; K93-Y95 HydrophobicContact CB-CD2 4.33Å; K93-Y95 HydrophobicContact CB-CE2 3.83Å; K93-Y95 HydrophobicContact CD-CE2 4.45Å
94	L	97	Very high	96.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	132	169.5	-175.7	65.2	0	0	0	111.3	A86 V88 M96 C118 I119 L122 V127 A130 V139 F168	A86-L94 HydrophobicContact CB-CD1 4.11Å; V88-L94 HydrophobicContact CG2-CD1 4.23Å; L94-M96 HydrophobicContact CD1-SD 3.78Å; L94-M96 HydrophobicContact CD2-CG 4.2Å; L94-M96 HydrophobicContact CD2-SD 4.01Å; L94-M96 HydrophobicContact CG-CG 4.08Å; L94-M96 HydrophobicContact CG-SD 3.87Å; L94-C118 WeakPolarHBondContact O-CA 3.34Å; L94-I119 HydrophobicContact CB-CB 4.47Å; L94-I119 HydrophobicContact CB-CG1 4.35Å; L94-I119 HydrophobicContact CD2-CB 4.42Å; L94-I119 HydrophobicContact CD2-CG1 3.89Å; L94-I119 HydrophobicContact CG-CG1 4.02Å; L94-I119 PolarHBondContact O-N 2.84Å; L94-L122 HydrophobicContact CD2-CD1 4.09Å; L94-V127 HydrophobicContact CB-CB 4.48Å; L94-V127 HydrophobicContact CB-CG1 4.39Å; L94-V127 HydrophobicContact CB-CG2 4.12Å; L94-A130 HydrophobicContact CD1-CB 4.05Å; L94-V139 HydrophobicContact CD2-CG1 4.25Å; L94-V139 HydrophobicContact CD2-CG2 3.63Å; L94-F168 HydrophobicContact CD2-CE2 3.94Å; L94-F168 HydrophobicContact CD2-CZ 3.92Å
95	Y	97.1	Very high	96.5	Very high	42 Å²	42	22.8 Å²	22.8	17%	0.165	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	127.8	170.1	-70.8	-102.6	0	0	0	110.1	F70 I87 T89 K93 P116 T117 C118	F70-Y95 HydrophobicContact CD1-CD1 4.45Å; F70-Y95 HydrophobicContact CD1-CD2 4.45Å; F70-Y95 HydrophobicContact CD1-CE1 4.04Å; F70-Y95 HydrophobicContact CD1-CE2 4.04Å; F70-Y95 AromaticContact CD1-CZ 3.82Å; F70-Y95 AromaticContact CE1-CD1 3.6Å; F70-Y95 HydrophobicContact CE1-CD1 3.6Å; F70-Y95 AromaticContact CE1-CD2 3.76Å; F70-Y95 HydrophobicContact CE1-CD2 3.76Å; F70-Y95 AromaticContact CE1-CE1 3.62Å; F70-Y95 HydrophobicContact CE1-CE1 3.62Å; F70-Y95 AromaticContact CE1-CE2 3.79Å; F70-Y95 HydrophobicContact CE1-CE2 3.79Å; F70-Y95 AromaticContact CE1-CG 3.66Å; F70-Y95 HydrophobicContact CE1-CG 3.66Å; F70-Y95 AromaticContact CE1-CZ 3.73Å; F70-Y95 HydrophobicContact CZ-CD1 4.33Å; F70-Y95 HydrophobicContact CZ-CD2 4.06Å; F70-Y95 HydrophobicContact CZ-CE2 4.44Å; F70-Y95 AromaticContact CZ-CG 4Å; F70-Y95 HydrophobicContact CZ-CG 4Å; I87-Y95 PolarHBondContact N-O 2.98Å; I87-Y95 PolarHBondContact O-N 3.05Å; T89-Y95 HydrophobicContact CG2-CD2 3.73Å; T89-Y95 HydrophobicContact CG2-CE2 3.75Å; K93-Y95 HydrophobicContact CB-CD2 4.33Å; K93-Y95 HydrophobicContact CB-CE2 3.83Å; K93-Y95 HydrophobicContact CD-CE2 4.45Å; Y95-P116 HydrophobicContact CD1-CB 4.39Å; Y95-T117 WeakPolarHBondContact CA-O 3.18Å; Y95-C118 HydrophobicContact CD1-CB 3.85Å; Y95-C118 HydrophobicContact CE1-CB 3.58Å; Y95-C118 HydrophobicContact CE2-CB 4.47Å; Y95-C118 HydrophobicContact CG-CB 4.42Å
96	M	97.4	Very high	96.4	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	145.2	-178.1	-59.6	-60.1	-66.3	0	0	111.1	T85 A86 L94 L105 T117 I119 T137	T85-M96 WeakPolarHBondContact O-CA 3.41Å; A86-M96 HydrophobicContact CB-CE 3.95Å; A86-M96 HydrophobicContact CB-SD 3.45Å; A86-M96 WeakPolarHBondContact CB-SD 3.47Å; L94-M96 HydrophobicContact CD1-SD 3.78Å; L94-M96 HydrophobicContact CD2-CG 4.2Å; L94-M96 HydrophobicContact CD2-SD 4.01Å; L94-M96 HydrophobicContact CG-CG 4.08Å; L94-M96 HydrophobicContact CG-SD 3.87Å; M96-L105 HydrophobicContact CB-CB 3.97Å; M96-L105 HydrophobicContact CB-CD2 4.01Å; M96-L105 HydrophobicContact CB-CG 4.44Å; M96-L105 HydrophobicContact CE-CD2 4.01Å; M96-T117 PolarHBondContact N-O 3.24Å; M96-T117 PolarHBondContact O-N 3.42Å; M96-I119 HydrophobicContact CB-CD1 3.92Å; M96-I119 HydrophobicContact CB-CG1 4.39Å; M96-I119 HydrophobicContact CG-CD1 3.6Å; M96-I119 HydrophobicContact CG-CG1 3.6Å; M96-T137 HydrophobicContact CE-CG2 3.77Å; M96-T137 WeakPolarHBondContact CE-OG1 3.48Å; M96-T137 HydrophobicContact SD-CG2 4.41Å
97	F	97.1	Very high	96.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	172.1	169.4	63.8	-73.6	0	0	0	112	T54 F60 F68 T85 I87 I113 P116 L400	T54-F97 HydrophobicContact CG2-CE2 4.28Å; T54-F97 HydrophobicContact CG2-CZ 4.16Å; F60-F97 HydrophobicContact CB-CD2 4Å; F60-F97 HydrophobicContact CB-CE2 3.84Å; F68-F97 HydrophobicContact CE1-CZ 4.13Å; F68-F97 HydrophobicContact CZ-CE1 4.16Å; F68-F97 HydrophobicContact CZ-CZ 4.12Å; T85-F97 HydrophobicContact CG2-CD1 4.39Å; T85-F97 HydrophobicContact CG2-CE1 3.67Å; T85-F97 HydrophobicContact CG2-CZ 3.84Å; T85-F97 PolarHBondContact N-O 3.18Å; T85-F97 PolarHBondContact O-N 2.88Å; T85-F97 VanDerWaalsContact O-N 3.15Å; I87-F97 HydrophobicContact CD1-CE1 3.96Å; I87-F97 HydrophobicContact CG1-CE1 4.37Å; F97-I113 HydrophobicContact CB-CG2 4.4Å; F97-P116 HydrophobicContact CD1-CB 4.05Å; F97-P116 HydrophobicContact CD1-CG 3.86Å; F97-P116 HydrophobicContact CE1-CB 4.4Å; F97-P116 HydrophobicContact CE1-CG 3.95Å; F97-P116 HydrophobicContact CG-CG 4.26Å; F97-P116 HydrophobicContact CZ-CG 4.38Å; F97-L400 HydrophobicContact CE1-CD2 4.47Å; F97-L400 HydrophobicContact CZ-CD1 4.24Å; F97-L400 HydrophobicContact CZ-CD2 4.12Å
98	G	96.6	Very high	96	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	103.2	-143.6	-175.9	0	0	0	0	0	112.5	I113	G98-I113 PolarHBondContact N-O 3.32Å; G98-I113 PolarHBondContact O-N 2.73Å
99	S	96.6	Very high	95.9	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.007	17%	0.168	C	C	.	.			trans	-70.2	148.8	179.1	-145	0	0	0	0	112.7	K59 E83 N101 Q104 L105	K59-S99 VanDerWaalsContact NZ-CB 3.3Å; K59-S99 PolarHBondContact NZ-OG 2.89Å; E83-S99 VanDerWaalsContact CB-CB 3.46Å; E83-S99 PolarHBondContact O-N 2.78Å; E83-S99 WeakPolarHBondContact OE2-CB 3.42Å; E83-S99 PolarHBondContact OE2-OG 2.91Å; S99-N101 PolarHBondContact OG-OD1 3.4Å; S99-Q104 VanDerWaalsContact O-CG 3.27Å; S99-Q104 WeakPolarHBondContact O-CG 3.31Å; S99-L105 WeakPolarHBondContact O-CD2 3.42Å; S99-L105 WeakPolarHBondContact O-CG 3.35Å
100	N	97	Very high	95.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.188	C	C	.	.			trans	-143.9	16.8	-179.3	-161.3	23.3	0	0	0	112.5	W102 G103 Q104 L105 S109 K110 A111	N100-W102 PolarHBondContact O-N 2.97Å; N100-W102 VanDerWaalsContact O-N 3.08Å; N100-G103 PolarHBondContact O-N 2.8Å; N100-G103 VanDerWaalsContact OD1-CA 3.23Å; N100-G103 WeakPolarHBondContact OD1-CA 3.4Å; N100-Q104 PolarHBondContact OD1-N 3.05Å; N100-L105 HydrophobicContact CB-CD1 3.67Å; N100-L105 HydrophobicContact CB-CG 3.77Å; N100-L105 WeakPolarHBondContact OD1-CB 3.47Å; N100-L105 WeakPolarHBondContact OD1-CG 3.3Å; N100-L105 PolarHBondContact OD1-N 3.06Å; N100-L105 VanDerWaalsContact OD1-N 3.09Å; N100-S109 PolarHBondContact ND2-O 3.45Å; N100-K110 CarbonylContact O-C 3.54Å; N100-K110 VanDerWaalsContact O-C 3.3Å; N100-K110 WeakPolarHBondContact O-CA 3.45Å; N100-A111 WeakPolarHBondContact CB-O 3.41Å; N100-A111 PolarHBondContact ND2-O 2.68Å
101	N	96.4	Very high	95.8	Very high	94 Å²	94	35.5 Å²	35.5	50%	0.503	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-25.9	-171.9	-56.7	0.9	0	0	0	112.4	S99 Q104 K110	S99-N101 PolarHBondContact OG-OD1 3.4Å; N101-Q104 VanDerWaalsContact N-OE1 3.12Å; N101-K110 WeakPolarHBondContact O-CD 3.18Å
102	W	96.6	Very high	95.7	Very high	102 Å²	102	33.5 Å²	33.5	39%	0.386	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	0.9	176.7	-63	94.7	0	0	0	113.1	N100 N135 G150	N100-W102 PolarHBondContact O-N 2.97Å; N100-W102 VanDerWaalsContact O-N 3.08Å; W102-N135 HydrophobicContact CB-CB 4.38Å; W102-N135 HydrophobicContact CD2-CB 4.45Å; W102-N135 HydrophobicContact CG-CB 3.97Å; W102-G150 CarbonylContact O-C 3.56Å; W102-G150 VanDerWaalsContact O-C 3.23Å; W102-G150 WeakPolarHBondContact O-CA 3.18Å
103	G	96.5	Very high	95.7	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	83.3	9.8	-174.1	0	0	0	0	0	114.3	N100 L105 G106	N100-G103 PolarHBondContact O-N 2.8Å; N100-G103 VanDerWaalsContact OD1-CA 3.23Å; N100-G103 WeakPolarHBondContact OD1-CA 3.4Å; G103-L105 PolarHBondContact O-N 3.11Å; G103-G106 PolarHBondContact O-N 3.04Å
104	Q	97.3	Very high	95.6	Very high	3 Å²	3	35.3 Å²	35.3	1%	0.014	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-11.4	-173.4	64.8	-121	80.8	0	0	116.4	H84 S99 N100 N101 N135 T137	H84-Q104 HydrophobicContact CB-CG 4.23Å; H84-Q104 PolarHBondContact ND1-NE2 3.04Å; S99-Q104 VanDerWaalsContact O-CG 3.27Å; S99-Q104 WeakPolarHBondContact O-CG 3.31Å; N100-Q104 PolarHBondContact OD1-N 3.05Å; N101-Q104 VanDerWaalsContact N-OE1 3.12Å; Q104-N135 WeakPolarHBondContact CB-O 3.48Å; Q104-T137 WeakPolarHBondContact O-CB 3.38Å; Q104-T137 PolarHBondContact O-OG1 3.1Å
105	L	96.8	Very high	95.5	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-8.2	173.4	-51.1	-175	0	0	0	112.7	H84 M96 S99 N100 G103 L107 I113 I119	H84-L105 HydrophobicContact CB-CD2 3.89Å; M96-L105 HydrophobicContact CB-CB 3.97Å; M96-L105 HydrophobicContact CB-CD2 4.01Å; M96-L105 HydrophobicContact CB-CG 4.44Å; M96-L105 HydrophobicContact CE-CD2 4.01Å; S99-L105 WeakPolarHBondContact O-CD2 3.42Å; S99-L105 WeakPolarHBondContact O-CG 3.35Å; N100-L105 HydrophobicContact CB-CD1 3.67Å; N100-L105 HydrophobicContact CB-CG 3.77Å; N100-L105 WeakPolarHBondContact OD1-CB 3.47Å; N100-L105 WeakPolarHBondContact OD1-CG 3.3Å; N100-L105 PolarHBondContact OD1-N 3.06Å; N100-L105 VanDerWaalsContact OD1-N 3.09Å; G103-L105 PolarHBondContact O-N 3.11Å; L105-L107 HydrophobicContact CB-CD1 3.86Å; L105-L107 HydrophobicContact CB-CG 4.19Å; L105-L107 HydrophobicContact CD1-CD1 4.23Å; L105-L107 PolarHBondContact O-N 2.87Å; L105-I113 HydrophobicContact CD1-CB 3.6Å; L105-I113 HydrophobicContact CD1-CG1 3.59Å; L105-I119 WeakPolarHBondContact O-CD1 3.32Å
106	G	95.7	Very high	95.4	Very high	5 Å²	5	41.4 Å²	41.4	5%	0.052	23%	0.232	C	C	.	.			trans	65.1	35.2	176.2	0	0	0	0	0	114.7	G103 D166	G103-G106 PolarHBondContact O-N 3.04Å; G106-D166 CarbonylContact C-O 3.53Å; G106-D166 VanDerWaalsContact CA-O 3.22Å; G106-D166 WeakPolarHBondContact CA-O 3.28Å
107	L	93.8	Very high	95.3	Very high	53 Å²	53	43.7 Å²	43.7	28%	0.277	25%	0.246	S	C	.	.	B	Isolated β-bridge	trans	-103	1.9	-170.2	-79.1	170.7	0	0	0	115.8	L105 S109 I113 T117 I119 D166	L105-L107 HydrophobicContact CB-CD1 3.86Å; L105-L107 HydrophobicContact CB-CG 4.19Å; L105-L107 HydrophobicContact CD1-CD1 4.23Å; L105-L107 PolarHBondContact O-N 2.87Å; L107-S109 VanDerWaalsContact C-N 3.31Å; L107-I113 HydrophobicContact CD1-CD1 4.27Å; L107-I113 HydrophobicContact CD1-CG1 3.71Å; L107-T117 HydrophobicContact CD1-CG2 4.27Å; L107-T117 HydrophobicContact CD2-CG2 3.97Å; L107-I119 HydrophobicContact CD1-CD1 4.49Å; L107-I119 HydrophobicContact CD2-CD1 3.49Å; L107-I119 VanDerWaalsContact CD2-CD1 3.49Å; L107-I119 HydrophobicContact CG-CD1 3.75Å; L107-D166 PolarHBondContact N-O 3.16Å
108	G	93.6	Very high	95.2	Very high	44 Å²	44	44.9 Å²	44.9	45%	0.454	25%	0.254	S	S	.	.	S	Bend	trans	69.3	30.9	-173.9	0	0	0	0	0	113.1	D166	G108-D166 WeakPolarHBondContact CA-OD2 3.35Å; G108-D166 PolarHBondContact N-O 2.97Å
109	S	93.6	Very high	95.1	Very high	45 Å²	45	45 Å²	45	32%	0.315	25%	0.254	S	S	.	.	S	Bend	trans	-163.9	158	171.1	61.5	0	0	0	0	110.1	N100 L107 D166	N100-S109 PolarHBondContact ND2-O 3.45Å; L107-S109 VanDerWaalsContact C-N 3.31Å; S109-D166 PolarHBondContact N-OD2 2.92Å; S109-D166 VanDerWaalsContact N-OD2 3.08Å
110	K	94.1	Very high	94.9	Very high	98 Å²	98	53.1 Å²	53.1	43%	0.426	29%	0.29	S	S	.	.			trans	-97.4	18.7	173.8	-66	-174	163.1	-166	0	114.1	N100 N101 D164 D166	N100-K110 CarbonylContact O-C 3.54Å; N100-K110 VanDerWaalsContact O-C 3.3Å; N100-K110 WeakPolarHBondContact O-CA 3.45Å; N101-K110 WeakPolarHBondContact O-CD 3.18Å; K110-D164 IonicContact NZ-OD2 3.91Å; K110-D164 PolarHBondContact NZ-OD2 3.11Å; K110-D166 HydrophobicContact CG-CB 4.47Å
111	A	94.1	Very high	94.6	Very high	57 Å²	57	56.4 Å²	56.4	47%	0.471	32%	0.317	S	S	.	.			trans	-86.3	129.6	-179.8	0	0	0	0	0	111.8	N100	N100-A111 WeakPolarHBondContact CB-O 3.41Å; N100-A111 PolarHBondContact ND2-O 2.68Å
112	A	92.6	Very high	94.3	Very high	49 Å²	49	52.2 Å²	52.2	41%	0.405	30%	0.295	S	S	.	.			trans	-65.5	145.5	-179.6	0	0	0	0	0	112.7
113	I	94.9	Very high	93.8	Very high	38 Å²	38	52.9 Å²	52.9	20%	0.195	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	116.6	-167.4	-63.1	-62	0	0	0	111.2	F97 G98 L105 L107 K115 T117	F97-I113 HydrophobicContact CB-CG2 4.4Å; G98-I113 PolarHBondContact N-O 3.32Å; G98-I113 PolarHBondContact O-N 2.73Å; L105-I113 HydrophobicContact CD1-CB 3.6Å; L105-I113 HydrophobicContact CD1-CG1 3.59Å; L107-I113 HydrophobicContact CD1-CD1 4.27Å; L107-I113 HydrophobicContact CD1-CG1 3.71Å; I113-K115 WeakPolarHBondContact CG2-O 3.3Å; I113-T117 WeakPolarHBondContact CG2-OG1 3.22Å
114	I	93.6	Very high	93.5	Very high	110 Å²	110	57.8 Å²	57.8	56%	0.564	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.4	6.5	-173.3	63.6	165.2	0	0	0	114.8	K59 F60	K59-I114 WeakPolarHBondContact O-CA 3.32Å; K59-I114 VanDerWaalsContact O-CB 3.3Å; K59-I114 WeakPolarHBondContact O-CB 3.5Å; K59-I114 WeakPolarHBondContact O-CG2 3.17Å; F60-I114 WeakPolarHBondContact CD2-O 3.34Å
115	K	93.4	Very high	92.8	Very high	141 Å²	141	60.3 Å²	60.3	61%	0.613	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.5	137.9	-179.2	-70.4	-177	-177.8	179.8	0	111.1	I113 T117	I113-K115 WeakPolarHBondContact CG2-O 3.3Å; K115-T117 PolarHBondContact O-N 3.4Å; K115-T117 PolarHBondContact O-OG1 2.94Å
116	P	95.3	Very high	92.6	Very high	29 Å²	29	65.1 Å²	65.1	19%	0.188	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.1	108.9	176.5	-27.1	32.8	0	0	0	112.3	F68 Y95 F97	F68-P116 HydrophobicContact CD1-CG 4.27Å; F68-P116 HydrophobicContact CD2-CG 4.14Å; F68-P116 HydrophobicContact CE1-CG 3.75Å; F68-P116 HydrophobicContact CE2-CB 4.21Å; F68-P116 HydrophobicContact CE2-CG 3.62Å; F68-P116 HydrophobicContact CG-CG 4.45Å; F68-P116 HydrophobicContact CZ-CB 4.29Å; F68-P116 HydrophobicContact CZ-CG 3.39Å; Y95-P116 HydrophobicContact CD1-CB 4.39Å; F97-P116 HydrophobicContact CD1-CB 4.05Å; F97-P116 HydrophobicContact CD1-CG 3.86Å; F97-P116 HydrophobicContact CE1-CB 4.4Å; F97-P116 HydrophobicContact CE1-CG 3.95Å; F97-P116 HydrophobicContact CG-CG 4.26Å; F97-P116 HydrophobicContact CZ-CG 4.38Å
117	T	95.7	Very high	92.5	Very high	49 Å²	49	64.9 Å²	64.9	30%	0.301	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	122.6	-170.9	-66.5	0	0	0	0	110.1	Y95 M96 L107 I113 K115 I119	Y95-T117 WeakPolarHBondContact CA-O 3.18Å; M96-T117 PolarHBondContact N-O 3.24Å; M96-T117 PolarHBondContact O-N 3.42Å; L107-T117 HydrophobicContact CD1-CG2 4.27Å; L107-T117 HydrophobicContact CD2-CG2 3.97Å; I113-T117 WeakPolarHBondContact CG2-OG1 3.22Å; K115-T117 PolarHBondContact O-N 3.4Å; K115-T117 PolarHBondContact O-OG1 2.94Å; T117-I119 PolarHBondContact O-N 3.07Å
118	C	95.2	Very high	92.6	Very high	24 Å²	24	66.9 Å²	66.9	16%	0.162	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	122.9	-179	-177.8	0	0	0	0	111.1	L94 Y95 K120 K123	L94-C118 WeakPolarHBondContact O-CA 3.34Å; Y95-C118 HydrophobicContact CD1-CB 3.85Å; Y95-C118 HydrophobicContact CE1-CB 3.58Å; Y95-C118 HydrophobicContact CE2-CB 4.47Å; Y95-C118 HydrophobicContact CG-CB 4.42Å; C118-K120 PolarHBondContact O-N 2.93Å; C118-K123 WeakPolarHBondContact SG-CE 3.36Å
119	I	94.7	Very high	92.8	Very high	2 Å²	2	66.6 Å²	66.6	1%	0.01	36%	0.357	C	S	.	.			trans	-70.3	114.6	178.7	-55.4	-49.1	0	0	0	108.8	L94 M96 L105 L107 T117 A121 L122 F168	L94-I119 HydrophobicContact CB-CB 4.47Å; L94-I119 HydrophobicContact CB-CG1 4.35Å; L94-I119 HydrophobicContact CD2-CB 4.42Å; L94-I119 HydrophobicContact CD2-CG1 3.89Å; L94-I119 HydrophobicContact CG-CG1 4.02Å; L94-I119 PolarHBondContact O-N 2.84Å; M96-I119 HydrophobicContact CB-CD1 3.92Å; M96-I119 HydrophobicContact CB-CG1 4.39Å; M96-I119 HydrophobicContact CG-CD1 3.6Å; M96-I119 HydrophobicContact CG-CG1 3.6Å; L105-I119 WeakPolarHBondContact O-CD1 3.32Å; L107-I119 HydrophobicContact CD1-CD1 4.49Å; L107-I119 HydrophobicContact CD2-CD1 3.49Å; L107-I119 VanDerWaalsContact CD2-CD1 3.49Å; L107-I119 HydrophobicContact CG-CD1 3.75Å; T117-I119 PolarHBondContact O-N 3.07Å; I119-A121 HydrophobicContact CG2-CB 4.44Å; I119-L122 HydrophobicContact CG2-CB 4.28Å; I119-L122 HydrophobicContact CG2-CG 4.3Å; I119-F168 HydrophobicContact CG1-CE2 4.16Å; I119-F168 HydrophobicContact CG2-CD2 3.88Å; I119-F168 HydrophobicContact CG2-CE2 4.04Å
120	K	91.7	Very high	93	Very high	172 Å²	172	64.9 Å²	64.9	75%	0.748	35%	0.345	S	S	*	.	S	Bend	trans	-75.9	-27	-174.8	-65.9	-179	-173.8	172	0	113.5	C118	C118-K120 PolarHBondContact O-N 2.93Å
121	A	90.8	Very high	93.2	Very high	70 Å²	70	60.3 Å²	60.3	58%	0.579	33%	0.326	S	S	*	.	S	Bend	trans	-68.3	-43.7	179.1	0	0	0	0	0	111.6	I119 K123 P124	I119-A121 HydrophobicContact CG2-CB 4.44Å; A121-K123 VanDerWaalsContact C-N 3.27Å; A121-K123 PolarHBondContact O-N 3.21Å; A121-K123 VanDerWaalsContact O-N 3.16Å; A121-P124 VanDerWaalsContact O-CD 3.25Å; A121-P124 WeakPolarHBondContact O-CD 3.45Å
122	L	90.4	Very high	93.4	Very high	6 Å²	6	58 Å²	58	3%	0.031	31%	0.306	C	S	.	.	S	Bend	trans	-90.8	59	176.6	-56.9	-179.3	0	0	0	111	L94 I119 E125 V127 V139 Y147 F168	L94-L122 HydrophobicContact CD2-CD1 4.09Å; I119-L122 HydrophobicContact CG2-CB 4.28Å; I119-L122 HydrophobicContact CG2-CG 4.3Å; L122-E125 CarbonylContact C-O 3.42Å; L122-E125 HydrophobicContact CD2-CB 4.23Å; L122-E125 HydrophobicContact CD2-CG 4.24Å; L122-V127 HydrophobicContact CB-CG2 3.97Å; L122-V127 HydrophobicContact CD1-CG2 4.42Å; L122-V139 HydrophobicContact CD1-CB 4.24Å; L122-V139 HydrophobicContact CD1-CG1 3.96Å; L122-V139 HydrophobicContact CD1-CG2 4.26Å; L122-Y147 HydrophobicContact CD2-CD1 4.08Å; L122-Y147 HydrophobicContact CD2-CD2 4.31Å; L122-Y147 HydrophobicContact CD2-CE1 4.26Å; L122-Y147 HydrophobicContact CD2-CG 4.12Å; L122-F168 HydrophobicContact CD1-CB 4.02Å; L122-F168 HydrophobicContact CD1-CD1 4.18Å; L122-F168 HydrophobicContact CD1-CD2 3.73Å; L122-F168 HydrophobicContact CD1-CE2 4.25Å; L122-F168 HydrophobicContact CD1-CG 3.69Å; L122-F168 HydrophobicContact CD2-CB 4.43Å; L122-F168 HydrophobicContact CG-CB 4.3Å; L122-F168 HydrophobicContact CG-CD2 4.32Å; L122-F168 HydrophobicContact CG-CG 4.39Å
123	K	86.9	Confident	93.6	Very high	116 Å²	116	55.8 Å²	55.8	50%	0.504	29%	0.288	S	S	.	.	S	Bend	trans	-114.8	-36	171.5	-77.6	-171.5	174.1	-169.2	0	116	C118 A121	C118-K123 WeakPolarHBondContact SG-CE 3.36Å; A121-K123 VanDerWaalsContact C-N 3.27Å; A121-K123 PolarHBondContact O-N 3.21Å; A121-K123 VanDerWaalsContact O-N 3.16Å
124	P	88.6	Confident	93.8	Very high	103 Å²	103	58.9 Å²	58.9	67%	0.669	30%	0.298	S	S	*	.	S	Bend	trans	-73.4	-40.7	167.9	28.9	-27.5	0	0	0	109.2	A121 K126	A121-P124 VanDerWaalsContact O-CD 3.25Å; A121-P124 WeakPolarHBondContact O-CD 3.45Å; P124-K126 PolarHBondContact O-N 3.31Å
125	E	84.3	Confident	94	Very high	55 Å²	55	54.2 Å²	54.2	26%	0.257	27%	0.274	S	S	.	.	S	Bend	trans	-65.1	116.1	166.2	-55.6	-44.5	134.2	0	0	110.5	L122 V127 T141 T143 Y147	L122-E125 CarbonylContact C-O 3.42Å; L122-E125 HydrophobicContact CD2-CB 4.23Å; L122-E125 HydrophobicContact CD2-CG 4.24Å; E125-V127 PolarHBondContact O-N 2.96Å; E125-T141 HydrophobicContact CB-CG2 3.84Å; E125-T143 PolarHBondContact OE2-OG1 2.71Å; E125-Y147 HydrophobicContact CG-CE2 4.46Å
126	K	90.8	Very high	94.2	Very high	101 Å²	101	47.5 Å²	47.5	44%	0.439	24%	0.244	S	C	.	.			trans	-80.5	107.4	176.1	-67.1	156.1	172.2	172.2	0	109.3	N92 P124 T141 D142	N92-K126 HydrophobicContact CB-CB 3.59Å; N92-K126 HydrophobicContact CB-CG 4.1Å; P124-K126 PolarHBondContact O-N 3.31Å; K126-T141 CarbonylContact O-C 3.58Å; K126-T141 WeakPolarHBondContact O-CA 3.41Å; K126-D142 HydrophobicContact CB-CB 4.38Å; K126-D142 VanDerWaalsContact CD-OD1 3.23Å; K126-D142 WeakPolarHBondContact CD-OD1 3.34Å; K126-D142 WeakPolarHBondContact CD-OD2 3.17Å; K126-D142 IonicContact NZ-OD1 3.22Å; K126-D142 IonicContact NZ-OD2 2.69Å; K126-D142 PolarHBondContact NZ-OD2 2.94Å; K126-D142 PolarHBondContact O-N 2.87Å
127	V	95.3	Very high	94.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	139.5	179.8	179.8	0	0	0	0	111.2	V88 N92 L94 L122 E125 V139	V88-V127 HydrophobicContact CB-CG1 4.38Å; V88-V127 HydrophobicContact CG1-CB 4.13Å; V88-V127 HydrophobicContact CG1-CG1 3.74Å; V88-V127 HydrophobicContact CG2-CG1 3.7Å; N92-V127 WeakPolarHBondContact CA-O 3.29Å; N92-V127 WeakPolarHBondContact CB-O 3.03Å; N92-V127 PolarHBondContact ND2-O 2.96Å; N92-V127 PolarHBondContact O-N 2.91Å; L94-V127 HydrophobicContact CB-CB 4.48Å; L94-V127 HydrophobicContact CB-CG1 4.39Å; L94-V127 HydrophobicContact CB-CG2 4.12Å; L122-V127 HydrophobicContact CB-CG2 3.97Å; L122-V127 HydrophobicContact CD1-CG2 4.42Å; E125-V127 PolarHBondContact O-N 2.96Å; V127-V139 HydrophobicContact CB-CG1 4.25Å; V127-V139 HydrophobicContact CG1-CG1 3.4Å; V127-V139 VanDerWaalsContact CG1-CG1 3.4Å; V127-V139 HydrophobicContact CG2-CG1 3.82Å
128	K	95.2	Very high	94.5	Very high	95 Å²	95	43.8 Å²	43.8	41%	0.413	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	-55.8	173	-82.9	-178.2	171.3	165.8	0	112	S140 D142	K128-S140 PolarHBondContact N-O 2.91Å; K128-D142 HydrophobicContact CD-CB 4.12Å; K128-D142 HydrophobicContact CG-CB 4.21Å
129	L	97	Very high	94.6	Very high	39 Å²	39	42.6 Å²	42.6	20%	0.204	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	156.9	-174	-50.3	172.6	0	0	0	110.8	V139 S140 I180 K181 L183	L129-V139 WeakPolarHBondContact O-CA 3.46Å; L129-S140 WeakPolarHBondContact CB-OG 3.15Å; L129-S140 PolarHBondContact N-O 2.9Å; L129-S140 PolarHBondContact O-N 3.3Å; L129-I180 HydrophobicContact CD1-CG2 4.25Å; L129-K181 VanDerWaalsContact CD1-O 3.29Å; L129-K181 WeakPolarHBondContact CD1-O 3.35Å; L129-L183 HydrophobicContact CB-CD1 4.18Å; L129-L183 HydrophobicContact CB-CG 4.44Å
130	A	98.1	Very high	94.7	Very high	8 Å²	8	42.6 Å²	42.6	7%	0.066	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	146.7	167	0	0	0	0	0	110.2	S79 A86 V88 L94 L138 V139	S79-A130 WeakPolarHBondContact CB-O 3.46Å; A86-A130 HydrophobicContact CB-CB 3.77Å; V88-A130 HydrophobicContact CG2-CB 4.04Å; L94-A130 HydrophobicContact CD1-CB 4.05Å; A130-L138 CarbonylContact C-O 3.53Å; A130-L138 VanDerWaalsContact CA-O 3.22Å; A130-L138 WeakPolarHBondContact CA-O 3.29Å; A130-V139 HydrophobicContact CB-CG2 4.42Å
131	A	98.4	Very high	94.9	Very high	3 Å²	3	34.6 Å²	34.6	3%	0.025	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	137.9	171.5	0	0	0	0	0	110.1	S79 T137 L138 L183 A185	S79-A131 WeakPolarHBondContact OG-CA 3.19Å; A131-T137 CarbonylContact O-C 3.58Å; A131-T137 VanDerWaalsContact O-CA 3.29Å; A131-T137 WeakPolarHBondContact O-CA 3.36Å; A131-L138 HydrophobicContact CB-CB 4.41Å; A131-L138 PolarHBondContact N-O 3.2Å; A131-L138 PolarHBondContact O-N 2.78Å; A131-L183 HydrophobicContact CB-CB 3.66Å; A131-A185 HydrophobicContact CB-CB 4Å
132	C	98.4	Very high	94.8	Very high	7 Å²	7	34 Å²	34	5%	0.047	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	112.4	-178	-67.5	0	0	0	0	110	S79 G81 H84 A86	S79-C132 PolarHBondContact OG-N 3.1Å; G81-C132 VanDerWaalsContact CA-O 3.27Å; G81-C132 WeakPolarHBondContact CA-O 3.49Å; H84-C132 WeakPolarHBondContact NE2-CA 3.2Å; H84-C132 VanDerWaalsContact NE2-CB 3.32Å; H84-C132 WeakPolarHBondContact NE2-CB 3.25Å; H84-C132 PolarHBondContact NE2-SG 2.97Å; H84-C132 VanDerWaalsContact NE2-SG 3.35Å; A86-C132 WeakPolarHBondContact CB-SG 3.48Å
133	G	97.9	Very high	94.6	Very high	4 Å²	4	37 Å²	37	4%	0.041	18%	0.184	C	C	.	.			trans	-83.2	-158	172.7	0	0	0	0	0	111.9	G81 H84 H136 G186	G81-G133 VanDerWaalsContact CA-O 3.26Å; G81-G133 WeakPolarHBondContact CA-O 3.32Å; H84-G133 PolarHBondContact CE1-O 2.87Å; G133-H136 PolarHBondContact N-O 3.33Å; G133-G186 CarbonylContact C-O 3.6Å; G133-G186 WeakPolarHBondContact CA-O 3.45Å
134	R	97.9	Very high	94.5	Very high	103 Å²	103	31.7 Å²	31.7	39%	0.389	16%	0.163	S	C	.	.	S	Bend	trans	-64.5	-44.2	178	-173.3	175.3	-168.9	166.8	2.7	113.4	D82 G186 A187 Y238	D82-R134 HydrophobicContact CB-CB 4.37Å; D82-R134 HydrophobicContact CB-CG 3.92Å; D82-R134 IonicContact OD2-NE 2.66Å; R134-G186 PolarHBondContact N-O 3.22Å; R134-A187 HydrophobicContact CB-CB 4.1Å; R134-Y238 PolarHBondContact NH1-OH 2.99Å; R134-Y238 VanDerWaalsContact NH1-OH 3.14Å
135	N	97.6	Very high	94.6	Very high	11 Å²	11	27.1 Å²	27.1	6%	0.059	13%	0.134	C	C	.	.	S	Bend	trans	-136.9	7	-167.8	55.8	3.1	0	0	0	113.4	W102 Q104 G150 G151 Q156 N188	W102-N135 HydrophobicContact CB-CB 4.38Å; W102-N135 HydrophobicContact CD2-CB 4.45Å; W102-N135 HydrophobicContact CG-CB 3.97Å; Q104-N135 WeakPolarHBondContact CB-O 3.48Å; N135-G150 WeakPolarHBondContact O-CA 3.41Å; N135-G151 PolarHBondContact O-N 3.34Å; N135-Q156 PolarHBondContact ND2-NE2 3.49Å; N135-Q156 PolarHBondContact OD1-NE2 2.98Å; N135-N188 PolarHBondContact ND2-OD1 2.97Å
136	H	98.5	Very high	95.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	167	-175.4	66.5	-80.2	0	0	0	112	H84 G133 A149 Q156 L157 T189 S190	H84-H136 PolarHBondContact CE1-N 3.15Å; H84-H136 PolarHBondContact CE1-O 2.82Å; H84-H136 PolarHBondContact NE2-O 3.34Å; G133-H136 PolarHBondContact N-O 3.33Å; H136-A149 CarbonylContact C-O 3.01Å; H136-A149 VanDerWaalsContact CA-O 3.27Å; H136-A149 WeakPolarHBondContact CA-O 3.39Å; H136-Q156 HydrophobicContact CB-CG 4.33Å; H136-L157 HydrophobicContact CB-CD2 3.87Å; H136-T189 PolarHBondContact CE1-O 3.39Å; H136-T189 VanDerWaalsContact CE1-O 3.28Å; H136-T189 PolarHBondContact NE2-O 3.21Å; H136-T189 VanDerWaalsContact NE2-O 3.12Å; H136-S190 PolarHBondContact CD2-OG 2.96Å; H136-S190 PolarHBondContact NE2-OG 2.86Å
137	T	98.6	Very high	95.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	131.2	177.5	-58.1	0	0	0	0	109.9	H84 M96 Q104 A131 V139 A148 A149 F168	H84-T137 PolarHBondContact CD2-OG1 2.88Å; H84-T137 VanDerWaalsContact NE2-CB 3.29Å; H84-T137 WeakPolarHBondContact NE2-CB 3.36Å; H84-T137 PolarHBondContact NE2-OG1 2.87Å; M96-T137 HydrophobicContact CE-CG2 3.77Å; M96-T137 WeakPolarHBondContact CE-OG1 3.48Å; M96-T137 HydrophobicContact SD-CG2 4.41Å; Q104-T137 WeakPolarHBondContact O-CB 3.38Å; Q104-T137 PolarHBondContact O-OG1 3.1Å; A131-T137 CarbonylContact O-C 3.58Å; A131-T137 VanDerWaalsContact O-CA 3.29Å; A131-T137 WeakPolarHBondContact O-CA 3.36Å; T137-V139 HydrophobicContact CG2-CG2 4.08Å; T137-A148 WeakPolarHBondContact O-CA 3.35Å; T137-A149 PolarHBondContact N-O 2.87Å; T137-A149 PolarHBondContact O-N 3.49Å; T137-F168 HydrophobicContact CG2-CE1 4.1Å; T137-F168 HydrophobicContact CG2-CZ 4.08Å
138	L	98.5	Very high	95.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	149.2	165.5	-57.2	-176.8	0	0	0	110.4	A130 A131 Y147 A148 I171 L183 S190 W202	A130-L138 CarbonylContact C-O 3.53Å; A130-L138 VanDerWaalsContact CA-O 3.22Å; A130-L138 WeakPolarHBondContact CA-O 3.29Å; A131-L138 HydrophobicContact CB-CB 4.41Å; A131-L138 PolarHBondContact N-O 3.2Å; A131-L138 PolarHBondContact O-N 2.78Å; L138-Y147 CarbonylContact C-O 3.57Å; L138-Y147 WeakPolarHBondContact CA-O 3.21Å; L138-A148 HydrophobicContact CD2-CB 3.86Å; L138-I171 HydrophobicContact CD2-CD1 4.46Å; L138-L183 HydrophobicContact CB-CD1 4.01Å; L138-L183 HydrophobicContact CD1-CD2 4.32Å; L138-S190 WeakPolarHBondContact CD1-OG 3.36Å; L138-W202 HydrophobicContact CD1-CH2 4.13Å; L138-W202 HydrophobicContact CD1-CZ2 3.87Å; L138-W202 HydrophobicContact CD2-CZ2 3.89Å
139	V	98	Very high	95.8	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	137.2	178	-174.3	0	0	0	0	109.6	L94 L122 V127 L129 A130 T137 V146 Y147 F168	L94-V139 HydrophobicContact CD2-CG1 4.25Å; L94-V139 HydrophobicContact CD2-CG2 3.63Å; L122-V139 HydrophobicContact CD1-CB 4.24Å; L122-V139 HydrophobicContact CD1-CG1 3.96Å; L122-V139 HydrophobicContact CD1-CG2 4.26Å; V127-V139 HydrophobicContact CB-CG1 4.25Å; V127-V139 HydrophobicContact CG1-CG1 3.4Å; V127-V139 VanDerWaalsContact CG1-CG1 3.4Å; V127-V139 HydrophobicContact CG2-CG1 3.82Å; L129-V139 WeakPolarHBondContact O-CA 3.46Å; A130-V139 HydrophobicContact CB-CG2 4.42Å; T137-V139 HydrophobicContact CG2-CG2 4.08Å; V139-V146 CarbonylContact O-C 3.55Å; V139-V146 WeakPolarHBondContact O-CA 3.29Å; V139-Y147 PolarHBondContact N-O 3Å; V139-Y147 PolarHBondContact O-N 3.45Å; V139-F168 HydrophobicContact CB-CE1 4.47Å; V139-F168 HydrophobicContact CG2-CD1 4Å; V139-F168 HydrophobicContact CG2-CE1 3.4Å; V139-F168 HydrophobicContact CG2-CZ 3.78Å
140	S	96.8	Very high	95.9	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.007	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	155.7	170.2	75.1	0	0	0	0	112.2	K128 L129	K128-S140 PolarHBondContact N-O 2.91Å; L129-S140 WeakPolarHBondContact CB-OG 3.15Å; L129-S140 PolarHBondContact N-O 2.9Å; L129-S140 PolarHBondContact O-N 3.3Å
141	T	94.5	Very high	95.9	Very high	5 Å²	5	14.1 Å²	14.1	3%	0.031	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	166	-171.3	56.5	0	0	0	0	111.9	E125 K126 T143 G144 G145 Y147	E125-T141 HydrophobicContact CB-CG2 3.84Å; K126-T141 CarbonylContact O-C 3.58Å; K126-T141 WeakPolarHBondContact O-CA 3.41Å; T141-T143 PolarHBondContact O-N 3.24Å; T141-T143 PolarHBondContact OG1-OG1 3.04Å; T141-G144 PolarHBondContact O-N 3.36Å; T141-G145 PolarHBondContact N-O 3.27Å; T141-G145 VanDerWaalsContact N-O 3.11Å; T141-G145 WeakPolarHBondContact OG1-CA 3.37Å; T141-G145 PolarHBondContact OG1-N 2.8Å; T141-G145 PolarHBondContact OG1-O 3.22Å; T141-Y147 HydrophobicContact CG2-CD2 4.04Å; T141-Y147 HydrophobicContact CG2-CE2 3.7Å
142	D	89	Confident	95.9	Very high	58 Å²	58	14 Å²	14	31%	0.31	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-20.7	175.1	85.7	-30	0	0	0	113.8	K126 K128 G144	K126-D142 HydrophobicContact CB-CB 4.38Å; K126-D142 VanDerWaalsContact CD-OD1 3.23Å; K126-D142 WeakPolarHBondContact CD-OD1 3.34Å; K126-D142 WeakPolarHBondContact CD-OD2 3.17Å; K126-D142 IonicContact NZ-OD1 3.22Å; K126-D142 IonicContact NZ-OD2 2.69Å; K126-D142 PolarHBondContact NZ-OD2 2.94Å; K126-D142 PolarHBondContact O-N 2.87Å; K128-D142 HydrophobicContact CD-CB 4.12Å; K128-D142 HydrophobicContact CG-CB 4.21Å; D142-G144 VanDerWaalsContact C-N 3.32Å
143	T	85.9	Confident	95.9	Very high	67 Å²	67	17.2 Å²	17.2	41%	0.411	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-0.2	174.4	50.1	0	0	0	0	114.2	E125 T141 G145 P176	E125-T143 PolarHBondContact OE2-OG1 2.71Å; T141-T143 PolarHBondContact O-N 3.24Å; T141-T143 PolarHBondContact OG1-OG1 3.04Å; T143-G145 VanDerWaalsContact C-N 3.27Å; T143-G145 PolarHBondContact O-N 2.89Å; T143-P176 VanDerWaalsContact O-CA 3.32Å; T143-P176 WeakPolarHBondContact O-CA 3.38Å; T143-P176 VanDerWaalsContact O-CB 3.31Å; T143-P176 WeakPolarHBondContact O-CB 3.48Å
144	G	84.8	Confident	95.9	Very high	6 Å²	6	19.8 Å²	19.8	6%	0.062	10%	0.1	C	C	.	.	S	Bend	trans	82.4	-7.9	-178.5	0	0	0	0	0	114.9	T141 D142 V146	T141-G144 PolarHBondContact O-N 3.36Å; D142-G144 VanDerWaalsContact C-N 3.32Å; G144-V146 PolarHBondContact O-N 3Å
145	G	92	Very high	95.9	Very high	6 Å²	6	14.9 Å²	14.9	6%	0.062	8%	0.081	C	C	.	.			trans	-64.4	129.9	174.2	0	0	0	0	0	112.2	T141 T143	T141-G145 PolarHBondContact N-O 3.27Å; T141-G145 VanDerWaalsContact N-O 3.11Å; T141-G145 WeakPolarHBondContact OG1-CA 3.37Å; T141-G145 PolarHBondContact OG1-N 2.8Å; T141-G145 PolarHBondContact OG1-O 3.22Å; T143-G145 VanDerWaalsContact C-N 3.27Å; T143-G145 PolarHBondContact O-N 2.89Å
146	V	97.1	Very high	95.9	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	138	173.7	-176.3	0	0	0	0	109.4	V139 G144 Q170 I171 F174 I180	V139-V146 CarbonylContact O-C 3.55Å; V139-V146 WeakPolarHBondContact O-CA 3.29Å; G144-V146 PolarHBondContact O-N 3Å; V146-Q170 WeakPolarHBondContact O-CA 3.29Å; V146-I171 HydrophobicContact CG1-CD1 3.98Å; V146-I171 PolarHBondContact O-N 2.92Å; V146-F174 HydrophobicContact CB-CB 4.16Å; V146-F174 HydrophobicContact CB-CD2 3.68Å; V146-F174 HydrophobicContact CB-CE2 4.4Å; V146-F174 HydrophobicContact CB-CG 4.11Å; V146-F174 HydrophobicContact CG1-CD2 4.16Å; V146-F174 HydrophobicContact CG1-CE2 4.42Å; V146-F174 HydrophobicContact CG2-CB 3.76Å; V146-F174 HydrophobicContact CG2-CD1 4.36Å; V146-F174 HydrophobicContact CG2-CD2 3.7Å; V146-F174 HydrophobicContact CG2-CE2 4.4Å; V146-F174 HydrophobicContact CG2-CG 3.67Å; V146-I180 HydrophobicContact CG2-CD1 4.12Å; V146-I180 HydrophobicContact CG2-CG1 3.71Å
147	Y	97.4	Very high	95.9	Very high	26 Å²	26	14.3 Å²	14.3	10%	0.102	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	147.2	-176.4	-60.9	-102.2	0	0	0	111.2	L122 E125 L138 V139 T141 H169 Q170	L122-Y147 HydrophobicContact CD2-CD1 4.08Å; L122-Y147 HydrophobicContact CD2-CD2 4.31Å; L122-Y147 HydrophobicContact CD2-CE1 4.26Å; L122-Y147 HydrophobicContact CD2-CG 4.12Å; E125-Y147 HydrophobicContact CG-CE2 4.46Å; L138-Y147 CarbonylContact C-O 3.57Å; L138-Y147 WeakPolarHBondContact CA-O 3.21Å; V139-Y147 PolarHBondContact N-O 3Å; V139-Y147 PolarHBondContact O-N 3.45Å; T141-Y147 HydrophobicContact CG2-CD2 4.04Å; T141-Y147 HydrophobicContact CG2-CE2 3.7Å; Y147-H169 CarbonylContact C-O 3.49Å; Y147-H169 WeakPolarHBondContact CA-O 3.46Å; Y147-Q170 HydrophobicContact CD1-CB 3.89Å; Y147-Q170 HydrophobicContact CD1-CG 4.48Å; Y147-Q170 HydrophobicContact CE1-CB 3.64Å; Y147-Q170 HydrophobicContact CE1-CG 4.07Å
148	A	98.3	Very high	95.9	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	148.9	178.5	0	0	0	0	0	112.7	T137 L138 L157 F168 H169 I171	T137-A148 WeakPolarHBondContact O-CA 3.35Å; L138-A148 HydrophobicContact CD2-CB 3.86Å; A148-L157 HydrophobicContact CB-CB 3.92Å; A148-L157 HydrophobicContact CB-CD2 3.86Å; A148-L157 HydrophobicContact CB-CG 4.44Å; A148-L157 WeakPolarHBondContact CB-O 3.43Å; A148-F168 WeakPolarHBondContact O-CA 3.5Å; A148-H169 PolarHBondContact N-O 3.38Å; A148-H169 PolarHBondContact O-N 2.97Å; A148-I171 HydrophobicContact CB-CD1 4.18Å; A148-I171 HydrophobicContact CB-CG1 4.34Å
149	A	98.3	Very high	95.8	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	149.2	171.1	0	0	0	0	0	111.4	H136 T137 F168	H136-A149 CarbonylContact C-O 3.01Å; H136-A149 VanDerWaalsContact CA-O 3.27Å; H136-A149 WeakPolarHBondContact CA-O 3.39Å; T137-A149 PolarHBondContact N-O 2.87Å; T137-A149 PolarHBondContact O-N 3.49Å; A149-F168 HydrophobicContact CB-CD1 3.68Å; A149-F168 HydrophobicContact CB-CD2 4.47Å; A149-F168 HydrophobicContact CB-CE1 3.72Å; A149-F168 HydrophobicContact CB-CG 4.07Å; A149-F168 HydrophobicContact CB-CZ 4.16Å
150	G	98.3	Very high	95.8	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	128.3	-152.8	176.1	0	0	0	0	0	113.7	W102 N135 R165	W102-G150 CarbonylContact O-C 3.56Å; W102-G150 VanDerWaalsContact O-C 3.23Å; W102-G150 WeakPolarHBondContact O-CA 3.18Å; N135-G150 WeakPolarHBondContact O-CA 3.41Å; G150-R165 PolarHBondContact N-O 2.99Å; G150-R165 PolarHBondContact O-N 3.33Å
151	G	98.2	Very high	95.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.124	C	C	.	.			trans	-71.9	145.6	175.8	0	0	0	0	0	111.7	N135 Q156 D164	N135-G151 PolarHBondContact O-N 3.34Å; G151-Q156 WeakPolarHBondContact O-CG 3.25Å; G151-Q156 PolarHBondContact O-NE2 3.03Å; G151-Q156 VanDerWaalsContact O-NE2 3.12Å; G151-D164 VanDerWaalsContact CA-OD1 3.27Å; G151-D164 WeakPolarHBondContact CA-OD1 3.32Å
152	N	98.3	Very high	96	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.143	C	C	.	.			trans	-134.1	15	-170.9	-161.4	26.9	0	0	0	115.5	E154 G155 Q156 L157 D161 T162 D163 D164	N152-E154 PolarHBondContact O-N 3.4Å; N152-G155 PolarHBondContact O-N 3Å; N152-G155 VanDerWaalsContact OD1-CA 3.29Å; N152-G155 WeakPolarHBondContact OD1-CA 3.49Å; N152-Q156 PolarHBondContact O-OE1 2.82Å; N152-Q156 PolarHBondContact OD1-N 2.7Å; N152-L157 HydrophobicContact CB-CB 4.46Å; N152-L157 HydrophobicContact CB-CD1 3.65Å; N152-L157 HydrophobicContact CB-CG 3.71Å; N152-L157 VanDerWaalsContact CG-CG 3.5Å; N152-L157 WeakPolarHBondContact OD1-CB 3.33Å; N152-L157 WeakPolarHBondContact OD1-CG 3.29Å; N152-L157 PolarHBondContact OD1-N 3.29Å; N152-D161 PolarHBondContact ND2-O 3.11Å; N152-D161 PolarHBondContact ND2-OD1 3.06Å; N152-D161 VanDerWaalsContact ND2-OD1 3.13Å; N152-T162 CarbonylContact C-O 3.09Å; N152-T162 VanDerWaalsContact ND2-C 3.35Å; N152-T162 WeakPolarHBondContact ND2-CA 3.48Å; N152-T162 CarbonylContact O-C 3.14Å; N152-T162 WeakPolarHBondContact O-CA 3.41Å; N152-T162 WeakPolarHBondContact O-CB 3.39Å; N152-D163 VanDerWaalsContact CB-C 3.49Å; N152-D163 WeakPolarHBondContact CB-O 3.41Å; N152-D163 PolarHBondContact ND2-N 3.08Å; N152-D163 PolarHBondContact ND2-O 3.06Å; N152-D163 VanDerWaalsContact ND2-O 3.09Å; N152-D164 PolarHBondContact N-OD1 2.73Å
153	N	97.6	Very high	96.4	Very high	75 Å²	75	26.1 Å²	26.1	40%	0.401	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44.4	-42.5	-172.8	-59.9	13.8	0	0	0	115.1	T162	N153-T162 VanDerWaalsContact O-CG2 3.28Å; N153-T162 WeakPolarHBondContact O-CG2 3.31Å
154	E	97.8	Very high	96.9	Very high	57 Å²	57	25.4 Å²	25.4	27%	0.266	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	3.5	-175.6	-42.6	-48	141.1	0	0	112.4	N152 N188 G203 D204 N217	N152-E154 PolarHBondContact O-N 3.4Å; E154-N188 HydrophobicContact CB-CB 4.16Å; E154-N188 HydrophobicContact CG-CB 3.62Å; E154-G203 CarbonylContact O-C 3.49Å; E154-D204 HydrophobicContact CB-CB 3.86Å; E154-D204 HydrophobicContact CG-CB 3.93Å; E154-N217 HydrophobicContact CB-CB 4.42Å; E154-N217 PolarHBondContact O-ND2 2.9Å
155	G	97.7	Very high	97.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.155	C	C	.	.	S	Bend	trans	90.7	14.4	-176.8	0	0	0	0	0	114.9	N152 L157 G158	N152-G155 PolarHBondContact O-N 3Å; N152-G155 VanDerWaalsContact OD1-CA 3.29Å; N152-G155 WeakPolarHBondContact OD1-CA 3.49Å; G155-L157 PolarHBondContact O-N 3.08Å; G155-G158 PolarHBondContact O-N 2.88Å
156	Q	98.3	Very high	97.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-15.9	-175.7	60.4	-100.5	51.4	0	0	115.7	N135 H136 G151 N152 G158 N188 S190 W202	N135-Q156 PolarHBondContact ND2-NE2 3.49Å; N135-Q156 PolarHBondContact OD1-NE2 2.98Å; H136-Q156 HydrophobicContact CB-CG 4.33Å; G151-Q156 WeakPolarHBondContact O-CG 3.25Å; G151-Q156 PolarHBondContact O-NE2 3.03Å; G151-Q156 VanDerWaalsContact O-NE2 3.12Å; N152-Q156 PolarHBondContact O-OE1 2.82Å; N152-Q156 PolarHBondContact OD1-N 2.7Å; Q156-G158 VanDerWaalsContact C-N 3.31Å; Q156-N188 WeakPolarHBondContact CB-O 3.43Å; Q156-N188 PolarHBondContact NE2-OD1 3.4Å; Q156-N188 VanDerWaalsContact NE2-OD1 3.11Å; Q156-S190 PolarHBondContact O-OG 2.77Å; Q156-W202 PolarHBondContact O-NE1 2.77Å
157	L	98.4	Very high	97.8	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-12.3	174.1	-56.3	-175.1	0	0	0	113.1	H136 A148 N152 G155 L159 R165 I171	H136-L157 HydrophobicContact CB-CD2 3.87Å; A148-L157 HydrophobicContact CB-CB 3.92Å; A148-L157 HydrophobicContact CB-CD2 3.86Å; A148-L157 HydrophobicContact CB-CG 4.44Å; A148-L157 WeakPolarHBondContact CB-O 3.43Å; N152-L157 HydrophobicContact CB-CB 4.46Å; N152-L157 HydrophobicContact CB-CD1 3.65Å; N152-L157 HydrophobicContact CB-CG 3.71Å; N152-L157 VanDerWaalsContact CG-CG 3.5Å; N152-L157 WeakPolarHBondContact OD1-CB 3.33Å; N152-L157 WeakPolarHBondContact OD1-CG 3.29Å; N152-L157 PolarHBondContact OD1-N 3.29Å; G155-L157 PolarHBondContact O-N 3.08Å; L157-L159 VanDerWaalsContact C-N 3.29Å; L157-L159 HydrophobicContact CB-CD1 3.85Å; L157-L159 HydrophobicContact CB-CG 3.84Å; L157-L159 HydrophobicContact CD1-CD1 4.1Å; L157-L159 PolarHBondContact O-N 3.38Å; L157-R165 HydrophobicContact CD1-CB 3.77Å; L157-R165 HydrophobicContact CD1-CG 3.62Å; L157-I171 VanDerWaalsContact O-CD1 3.25Å; L157-I171 WeakPolarHBondContact O-CD1 3.46Å; L157-I171 WeakPolarHBondContact O-CG1 3.32Å
158	G	97.9	Very high	97.8	Very high	5 Å²	5	31.9 Å²	31.9	5%	0.052	18%	0.18	C	C	.	.			trans	72.3	16.9	175.9	0	0	0	0	0	114.9	G155 Q156 W202 C219	G155-G158 PolarHBondContact O-N 2.88Å; Q156-G158 VanDerWaalsContact C-N 3.31Å; G158-W202 VanDerWaalsContact CA-CD1 3.48Å; G158-C219 CarbonylContact C-O 3.3Å; G158-C219 VanDerWaalsContact CA-O 3.23Å; G158-C219 WeakPolarHBondContact CA-O 3.29Å
159	L	97.7	Very high	97.7	Very high	41 Å²	41	35.1 Å²	35.1	22%	0.215	20%	0.195	C	C	.	.	S	Bend	trans	-89.8	-3.1	-169.8	-58.1	176.8	0	0	0	114.7	L157 R165 H169 I171 C219	L157-L159 VanDerWaalsContact C-N 3.29Å; L157-L159 HydrophobicContact CB-CD1 3.85Å; L157-L159 HydrophobicContact CB-CG 3.84Å; L157-L159 HydrophobicContact CD1-CD1 4.1Å; L157-L159 PolarHBondContact O-N 3.38Å; L159-R165 HydrophobicContact CD1-CG 3.65Å; L159-H169 HydrophobicContact CD1-CB 3.85Å; L159-H169 HydrophobicContact CD2-CB 3.93Å; L159-I171 HydrophobicContact CD2-CG1 4.29Å; L159-C219 PolarHBondContact N-O 3.25Å
160	G	97.3	Very high	97.6	Very high	45 Å²	45	39.6 Å²	39.6	46%	0.464	22%	0.216	S	C	.	.	S	Bend	trans	90.7	2.3	-174.7	0	0	0	0	0	115.2	C219	G160-C219 WeakPolarHBondContact CA-O 3.32Å; G160-C219 PolarHBondContact N-O 3.31Å
161	D	97.6	Very high	97.6	Very high	43 Å²	43	39.6 Å²	39.6	23%	0.23	22%	0.216	C	C	.	.	S	Bend	trans	-142.3	-179.7	179.4	65.9	60.1	0	0	0	111.3	N152 D163 R165	N152-D161 PolarHBondContact ND2-O 3.11Å; N152-D161 PolarHBondContact ND2-OD1 3.06Å; N152-D161 VanDerWaalsContact ND2-OD1 3.13Å; D161-D163 PolarHBondContact OD1-N 2.98Å; D161-R165 IonicContact OD1-CZ 2.71Å; D161-R165 IonicContact OD1-NH1 3.29Å; D161-R165 PolarHBondContact OD1-NH1 3.41Å; D161-R165 IonicContact OD1-NH2 3.94Å; D161-R165 IonicContact OD2-CZ 2.71Å; D161-R165 IonicContact OD2-NH1 2.96Å; D161-R165 PolarHBondContact OD2-NH1 2.85Å; D161-R165 IonicContact OD2-NH2 2.63Å; D161-R165 PolarHBondContact OD2-NH2 2.86Å
162	T	97.7	Very high	97.4	Very high	70 Å²	70	45.8 Å²	45.8	43%	0.429	25%	0.254	S	S	.	.			trans	-113.6	18.6	178.5	55.4	0	0	0	0	114.2	N152 N153	N152-T162 CarbonylContact C-O 3.09Å; N152-T162 VanDerWaalsContact ND2-C 3.35Å; N152-T162 WeakPolarHBondContact ND2-CA 3.48Å; N152-T162 CarbonylContact O-C 3.14Å; N152-T162 WeakPolarHBondContact O-CA 3.41Å; N152-T162 WeakPolarHBondContact O-CB 3.39Å; N153-T162 VanDerWaalsContact O-CG2 3.28Å; N153-T162 WeakPolarHBondContact O-CG2 3.31Å
163	D	97.8	Very high	97.3	Very high	107 Å²	107	49.7 Å²	49.7	57%	0.572	27%	0.271	S	S	*	.			trans	-83.2	132.8	-177.9	-75.7	-44.3	0	0	0	113	N152 D161 R165	N152-D163 VanDerWaalsContact CB-C 3.49Å; N152-D163 WeakPolarHBondContact CB-O 3.41Å; N152-D163 PolarHBondContact ND2-N 3.08Å; N152-D163 PolarHBondContact ND2-O 3.06Å; N152-D163 VanDerWaalsContact ND2-O 3.09Å; D161-D163 PolarHBondContact OD1-N 2.98Å; D163-R165 PolarHBondContact O-NH1 2.88Å
164	D	97.6	Very high	97.1	Very high	52 Å²	52	46.3 Å²	46.3	28%	0.278	25%	0.253	S	S	.	.			trans	-55.5	134	172.9	-86.2	12.9	0	0	0	112.5	K110 G151 N152	K110-D164 IonicContact NZ-OD2 3.91Å; K110-D164 PolarHBondContact NZ-OD2 3.11Å; G151-D164 VanDerWaalsContact CA-OD1 3.27Å; G151-D164 WeakPolarHBondContact CA-OD1 3.32Å; N152-D164 PolarHBondContact N-OD1 2.73Å
165	R	97.9	Very high	96.7	Very high	47 Å²	47	46.5 Å²	46.5	18%	0.177	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	120.7	172.6	-56.1	-51	-159.8	-66.7	3.3	111.9	G150 L157 L159 D161 D163 T167	G150-R165 PolarHBondContact N-O 2.99Å; G150-R165 PolarHBondContact O-N 3.33Å; L157-R165 HydrophobicContact CD1-CB 3.77Å; L157-R165 HydrophobicContact CD1-CG 3.62Å; L159-R165 HydrophobicContact CD1-CG 3.65Å; D161-R165 IonicContact OD1-CZ 2.71Å; D161-R165 IonicContact OD1-NH1 3.29Å; D161-R165 PolarHBondContact OD1-NH1 3.41Å; D161-R165 IonicContact OD1-NH2 3.94Å; D161-R165 IonicContact OD2-CZ 2.71Å; D161-R165 IonicContact OD2-NH1 2.96Å; D161-R165 PolarHBondContact OD2-NH1 2.85Å; D161-R165 IonicContact OD2-NH2 2.63Å; D161-R165 PolarHBondContact OD2-NH2 2.86Å; D163-R165 PolarHBondContact O-NH1 2.88Å; R165-T167 VanDerWaalsContact C-N 3.31Å
166	D	96.7	Very high	96.1	Very high	51 Å²	51	51.8 Å²	51.8	27%	0.273	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	5.4	176.5	76.6	-14.6	0	0	0	114.5	G106 L107 G108 S109 K110	G106-D166 CarbonylContact C-O 3.53Å; G106-D166 VanDerWaalsContact CA-O 3.22Å; G106-D166 WeakPolarHBondContact CA-O 3.28Å; L107-D166 PolarHBondContact N-O 3.16Å; G108-D166 WeakPolarHBondContact CA-OD2 3.35Å; G108-D166 PolarHBondContact N-O 2.97Å; S109-D166 PolarHBondContact N-OD2 2.92Å; S109-D166 VanDerWaalsContact N-OD2 3.08Å; K110-D166 HydrophobicContact CG-CB 4.47Å
167	T	96.9	Very high	95.5	Very high	54 Å²	54	55.6 Å²	55.6	33%	0.331	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	150	179.6	37.7	0	0	0	0	109.5	R165 H169	R165-T167 VanDerWaalsContact C-N 3.31Å; T167-H169 PolarHBondContact O-N 2.94Å; T167-H169 PolarHBondContact O-ND1 3.08Å; T167-H169 PolarHBondContact OG1-CE1 2.95Å
168	F	97.4	Very high	95.1	Very high	22 Å²	22	57.1 Å²	57.1	10%	0.096	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	115.3	-179	-76.1	-73.4	0	0	0	112	L94 I119 L122 T137 V139 A148 A149	L94-F168 HydrophobicContact CD2-CE2 3.94Å; L94-F168 HydrophobicContact CD2-CZ 3.92Å; I119-F168 HydrophobicContact CG1-CE2 4.16Å; I119-F168 HydrophobicContact CG2-CD2 3.88Å; I119-F168 HydrophobicContact CG2-CE2 4.04Å; L122-F168 HydrophobicContact CD1-CB 4.02Å; L122-F168 HydrophobicContact CD1-CD1 4.18Å; L122-F168 HydrophobicContact CD1-CD2 3.73Å; L122-F168 HydrophobicContact CD1-CE2 4.25Å; L122-F168 HydrophobicContact CD1-CG 3.69Å; L122-F168 HydrophobicContact CD2-CB 4.43Å; L122-F168 HydrophobicContact CG-CB 4.3Å; L122-F168 HydrophobicContact CG-CD2 4.32Å; L122-F168 HydrophobicContact CG-CG 4.39Å; T137-F168 HydrophobicContact CG2-CE1 4.1Å; T137-F168 HydrophobicContact CG2-CZ 4.08Å; V139-F168 HydrophobicContact CB-CE1 4.47Å; V139-F168 HydrophobicContact CG2-CD1 4Å; V139-F168 HydrophobicContact CG2-CE1 3.4Å; V139-F168 HydrophobicContact CG2-CZ 3.78Å; A148-F168 WeakPolarHBondContact O-CA 3.5Å; A149-F168 HydrophobicContact CB-CD1 3.68Å; A149-F168 HydrophobicContact CB-CD2 4.47Å; A149-F168 HydrophobicContact CB-CE1 3.72Å; A149-F168 HydrophobicContact CB-CG 4.07Å; A149-F168 HydrophobicContact CB-CZ 4.16Å
169	H	97.2	Very high	94.9	Very high	69 Å²	69	60.3 Å²	60.3	32%	0.319	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	143.3	174.6	-72.2	64.3	0	0	0	109.9	Y147 A148 L159 T167	Y147-H169 CarbonylContact C-O 3.49Å; Y147-H169 WeakPolarHBondContact CA-O 3.46Å; A148-H169 PolarHBondContact N-O 3.38Å; A148-H169 PolarHBondContact O-N 2.97Å; L159-H169 HydrophobicContact CD1-CB 3.85Å; L159-H169 HydrophobicContact CD2-CB 3.93Å; T167-H169 PolarHBondContact O-N 2.94Å; T167-H169 PolarHBondContact O-ND1 3.08Å; T167-H169 PolarHBondContact OG1-CE1 2.95Å
170	Q	96.2	Very high	94.8	Very high	93 Å²	93	59.1 Å²	59.1	44%	0.435	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	131.8	179.9	-171.7	177.9	-10	0	0	111.2	V146 Y147 V172	V146-Q170 WeakPolarHBondContact O-CA 3.29Å; Y147-Q170 HydrophobicContact CD1-CB 3.89Å; Y147-Q170 HydrophobicContact CD1-CG 4.48Å; Y147-Q170 HydrophobicContact CE1-CB 3.64Å; Y147-Q170 HydrophobicContact CE1-CG 4.07Å; Q170-V172 PolarHBondContact O-N 3.24Å
171	I	97.1	Very high	94.8	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	34%	0.338	C	S	.	.			trans	-80.2	98.2	168.8	-55.5	-176.4	0	0	0	107.7	L138 V146 A148 L157 L159 F173 F174 W202 P221	L138-I171 HydrophobicContact CD2-CD1 4.46Å; V146-I171 HydrophobicContact CG1-CD1 3.98Å; V146-I171 PolarHBondContact O-N 2.92Å; A148-I171 HydrophobicContact CB-CD1 4.18Å; A148-I171 HydrophobicContact CB-CG1 4.34Å; L157-I171 VanDerWaalsContact O-CD1 3.25Å; L157-I171 WeakPolarHBondContact O-CD1 3.46Å; L157-I171 WeakPolarHBondContact O-CG1 3.32Å; L159-I171 HydrophobicContact CD2-CG1 4.29Å; I171-F173 HydrophobicContact CG2-CB 4.04Å; I171-F173 PolarHBondContact O-N 2.95Å; I171-F174 HydrophobicContact CB-CD2 4.06Å; I171-F174 HydrophobicContact CG2-CD2 3.72Å; I171-F174 HydrophobicContact CG2-CE2 3.94Å; I171-F174 PolarHBondContact O-N 3.43Å; I171-W202 HydrophobicContact CD1-CH2 4.33Å; I171-W202 HydrophobicContact CD1-CZ2 3.55Å; I171-P221 HydrophobicContact CG2-CG 3.75Å
172	V	94.4	Very high	94.8	Very high	131 Å²	131	60.3 Å²	60.3	79%	0.794	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-7.7	-174.2	-61	0	0	0	0	115.1	Q170	Q170-V172 PolarHBondContact O-N 3.24Å
173	F	95.4	Very high	94.8	Very high	82 Å²	82	57.7 Å²	57.7	36%	0.36	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-39	172.2	-179.3	-85.6	0	0	0	112.2	I171 F200 I220 P221	I171-F173 HydrophobicContact CG2-CB 4.04Å; I171-F173 PolarHBondContact O-N 2.95Å; F173-F200 AromaticContact CE1-CD1 3.61Å; F173-F200 HydrophobicContact CE1-CD1 3.61Å; F173-F200 AromaticContact CE1-CE1 3.66Å; F173-F200 HydrophobicContact CE1-CE1 3.66Å; F173-F200 HydrophobicContact CE1-CG 4.1Å; F173-F200 HydrophobicContact CE1-CZ 4.16Å; F173-F200 AromaticContact CZ-CD1 3.72Å; F173-F200 HydrophobicContact CZ-CD1 3.72Å; F173-F200 AromaticContact CZ-CE1 3.61Å; F173-F200 HydrophobicContact CZ-CE1 3.61Å; F173-F200 HydrophobicContact CZ-CZ 4.42Å; F173-I220 HydrophobicContact CD2-CG2 4.26Å; F173-P221 HydrophobicContact CB-CB 4.45Å; F173-P221 HydrophobicContact CB-CG 3.99Å; F173-P221 HydrophobicContact CD1-CB 3.66Å; F173-P221 HydrophobicContact CD1-CG 4Å; F173-P221 HydrophobicContact CD2-CB 4.26Å; F173-P221 HydrophobicContact CE1-CB 3.89Å; F173-P221 HydrophobicContact CE2-CB 4.44Å; F173-P221 HydrophobicContact CG-CB 3.87Å; F173-P221 HydrophobicContact CG-CG 3.97Å; F173-P221 HydrophobicContact CZ-CB 4.27Å
174	F	94.6	Very high	94.8	Very high	4 Å²	4	53.3 Å²	53.3	2%	0.018	30%	0.296	C	S	.	.			trans	-86.5	126.2	-176.3	-64.7	-74.3	0	0	0	111.1	V146 I171 D178 I180 A192 F200 W202 P221	V146-F174 HydrophobicContact CB-CB 4.16Å; V146-F174 HydrophobicContact CB-CD2 3.68Å; V146-F174 HydrophobicContact CB-CE2 4.4Å; V146-F174 HydrophobicContact CB-CG 4.11Å; V146-F174 HydrophobicContact CG1-CD2 4.16Å; V146-F174 HydrophobicContact CG1-CE2 4.42Å; V146-F174 HydrophobicContact CG2-CB 3.76Å; V146-F174 HydrophobicContact CG2-CD1 4.36Å; V146-F174 HydrophobicContact CG2-CD2 3.7Å; V146-F174 HydrophobicContact CG2-CE2 4.4Å; V146-F174 HydrophobicContact CG2-CG 3.67Å; I171-F174 HydrophobicContact CB-CD2 4.06Å; I171-F174 HydrophobicContact CG2-CD2 3.72Å; I171-F174 HydrophobicContact CG2-CE2 3.94Å; I171-F174 PolarHBondContact O-N 3.43Å; F174-D178 HydrophobicContact CD1-CB 4.3Å; F174-I180 HydrophobicContact CD1-CD1 3.91Å; F174-I180 HydrophobicContact CE1-CD1 4.18Å; F174-A192 HydrophobicContact CE1-CB 4.05Å; F174-A192 HydrophobicContact CE2-CB 4.46Å; F174-A192 HydrophobicContact CZ-CB 3.74Å; F174-F200 HydrophobicContact CE1-CB 4.2Å; F174-F200 AromaticContact CE1-CD2 3.8Å; F174-F200 HydrophobicContact CE1-CD2 3.8Å; F174-F200 HydrophobicContact CE1-CE2 4.45Å; F174-F200 HydrophobicContact CE1-CG 4.09Å; F174-F200 HydrophobicContact CZ-CB 4Å; F174-F200 HydrophobicContact CZ-CD2 4.45Å; F174-F200 HydrophobicContact CZ-CG 4.35Å; F174-W202 AromaticContact CE2-CH2 3.73Å; F174-W202 HydrophobicContact CE2-CH2 3.73Å; F174-W202 HydrophobicContact CE2-CZ2 4.48Å; F174-W202 AromaticContact CE2-CZ3 3.91Å; F174-W202 HydrophobicContact CE2-CZ3 3.91Å; F174-W202 AromaticContact CZ-CH2 3.92Å; F174-W202 HydrophobicContact CZ-CH2 3.92Å; F174-W202 AromaticContact CZ-CZ3 3.7Å; F174-W202 HydrophobicContact CZ-CZ3 3.7Å; F174-P221 HydrophobicContact CD2-CG 4.4Å; F174-P221 HydrophobicContact CE2-CB 4.06Å; F174-P221 HydrophobicContact CE2-CG 3.53Å; F174-P221 HydrophobicContact CZ-CB 3.91Å; F174-P221 HydrophobicContact CZ-CG 3.92Å
175	T	89	Confident	94.9	Very high	61 Å²	61	51.5 Å²	51.5	37%	0.374	29%	0.288	S	S	.	.			trans	-105.5	166.8	-178.2	78	0	0	0	0	111.3	A177 D178	T175-A177 PolarHBondContact O-N 2.94Å; T175-A177 PolarHBondContact OG1-N 2.85Å; T175-D178 WeakPolarHBondContact CA-OD2 3.45Å; T175-D178 VanDerWaalsContact CB-OD2 3.32Å; T175-D178 WeakPolarHBondContact CB-OD2 3.36Å; T175-D178 PolarHBondContact N-OD2 2.89Å; T175-D178 WeakPolarHBondContact O-CB 3.43Å; T175-D178 PolarHBondContact O-N 2.85Å; T175-D178 PolarHBondContact OG1-OD2 3.02Å
176	P	86.1	Confident	94.8	Very high	110 Å²	110	49.5 Å²	49.5	71%	0.714	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-9.5	172.3	-26.7	37	0	0	0	116	T143	T143-P176 VanDerWaalsContact O-CA 3.32Å; T143-P176 WeakPolarHBondContact O-CA 3.38Å; T143-P176 VanDerWaalsContact O-CB 3.31Å; T143-P176 WeakPolarHBondContact O-CB 3.48Å
177	A	85.7	Confident	94.8	Very high	80 Å²	80	47.2 Å²	47.2	66%	0.661	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-25.9	170.7	0	0	0	0	0	112.5	T175 T179	T175-A177 PolarHBondContact O-N 2.94Å; T175-A177 PolarHBondContact OG1-N 2.85Å; A177-T179 VanDerWaalsContact C-N 3.32Å; A177-T179 PolarHBondContact O-N 2.89Å
178	D	88.6	Confident	94.9	Very high	32 Å²	32	46 Å²	46	17%	0.171	26%	0.262	C	S	.	.	S	Bend	trans	-84	73	-174.8	-54.3	-68.5	0	0	0	110.2	F174 T175 I180 T194	F174-D178 HydrophobicContact CD1-CB 4.3Å; T175-D178 WeakPolarHBondContact CA-OD2 3.45Å; T175-D178 VanDerWaalsContact CB-OD2 3.32Å; T175-D178 WeakPolarHBondContact CB-OD2 3.36Å; T175-D178 PolarHBondContact N-OD2 2.89Å; T175-D178 WeakPolarHBondContact O-CB 3.43Å; T175-D178 PolarHBondContact O-N 2.85Å; T175-D178 PolarHBondContact OG1-OD2 3.02Å; D178-I180 VanDerWaalsContact O-CD1 3.29Å; D178-I180 WeakPolarHBondContact O-CD1 3.41Å; D178-I180 WeakPolarHBondContact O-CG1 3.3Å; D178-I180 PolarHBondContact O-N 3.31Å; D178-T194 HydrophobicContact CB-CG2 4.4Å
179	T	93.6	Very high	94.9	Very high	73 Å²	73	45 Å²	45	45%	0.448	26%	0.258	S	S	.	.			trans	-64	104	-179.1	52.1	0	0	0	0	111.5	A177 K181 T194 E195	A177-T179 VanDerWaalsContact C-N 3.32Å; A177-T179 PolarHBondContact O-N 2.89Å; T179-K181 PolarHBondContact O-N 3.21Å; T179-T194 CarbonylContact O-C 3.57Å; T179-T194 WeakPolarHBondContact O-CA 3.49Å; T179-E195 PolarHBondContact O-N 2.86Å
180	I	96.6	Very high	95	Very high	16 Å²	16	41.7 Å²	41.7	8%	0.082	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	118.6	-177.1	-50.4	-54.4	0	0	0	111.2	L129 V146 F174 D178 L183 A192 T194	L129-I180 HydrophobicContact CD1-CG2 4.25Å; V146-I180 HydrophobicContact CG2-CD1 4.12Å; V146-I180 HydrophobicContact CG2-CG1 3.71Å; F174-I180 HydrophobicContact CD1-CD1 3.91Å; F174-I180 HydrophobicContact CE1-CD1 4.18Å; D178-I180 VanDerWaalsContact O-CD1 3.29Å; D178-I180 WeakPolarHBondContact O-CD1 3.41Å; D178-I180 WeakPolarHBondContact O-CG1 3.3Å; D178-I180 PolarHBondContact O-N 3.31Å; I180-L183 HydrophobicContact CG2-CD2 3.81Å; I180-L183 HydrophobicContact CG2-CG 4.06Å; I180-A192 HydrophobicContact CD1-CB 4.31Å; I180-T194 HydrophobicContact CD1-CG2 4.14Å
181	K	95.9	Very high	95.1	Very high	77 Å²	77	37.3 Å²	37.3	34%	0.335	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	-44	176.2	-177.9	-175.7	-169.6	-166.7	0	112.8	L129 T179 L193 E195 S231	L129-K181 VanDerWaalsContact CD1-O 3.29Å; L129-K181 WeakPolarHBondContact CD1-O 3.35Å; T179-K181 PolarHBondContact O-N 3.21Å; K181-L193 WeakPolarHBondContact CB-O 3.48Å; K181-L193 HydrophobicContact CD-CD2 4.3Å; K181-L193 HydrophobicContact CD-CG 4.47Å; K181-L193 PolarHBondContact N-O 3.45Å; K181-E195 VanDerWaalsContact CB-CD 3.49Å; K181-E195 HydrophobicContact CB-CG 3.91Å; K181-E195 VanDerWaalsContact CD-OE2 3.3Å; K181-E195 WeakPolarHBondContact CD-OE2 3.46Å; K181-E195 VanDerWaalsContact CG-OE2 3.22Å; K181-E195 WeakPolarHBondContact CG-OE2 3.42Å; K181-S231 PolarHBondContact NZ-O 2.85Å
182	Q	97.6	Very high	95.2	Very high	35 Å²	35	37.3 Å²	37.3	16%	0.164	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	143.1	-175.1	-168.4	178.6	12.6	0	0	110.2	L193 I233	Q182-L193 HydrophobicContact CB-CB 4.18Å; Q182-L193 HydrophobicContact CB-CD2 4.41Å; Q182-L193 PolarHBondContact N-O 3.37Å; Q182-L193 VanDerWaalsContact N-O 3.16Å; Q182-L193 PolarHBondContact O-N 3.03Å; Q182-I233 HydrophobicContact CB-CG2 4.22Å; Q182-I233 HydrophobicContact CG-CG2 4.01Å; Q182-I233 PolarHBondContact NE2-O 3.17Å
183	L	98.4	Very high	95.3	Very high	16 Å²	16	31 Å²	31	8%	0.084	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	147.7	166.9	-68.3	176.2	0	0	0	109	L129 A131 L138 I180 A191 A192	L129-L183 HydrophobicContact CB-CD1 4.18Å; L129-L183 HydrophobicContact CB-CG 4.44Å; A131-L183 HydrophobicContact CB-CB 3.66Å; L138-L183 HydrophobicContact CB-CD1 4.01Å; L138-L183 HydrophobicContact CD1-CD2 4.32Å; I180-L183 HydrophobicContact CG2-CD2 3.81Å; I180-L183 HydrophobicContact CG2-CG 4.06Å; L183-A191 WeakPolarHBondContact CA-O 3.34Å; L183-A192 HydrophobicContact CD2-CB 3.72Å
184	S	98.5	Very high	95.4	Very high	15 Å²	15	27.2 Å²	27.2	11%	0.105	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	153.2	169.9	-155.8	0	0	0	0	110.5	A191 C235	S184-A191 PolarHBondContact N-O 3.09Å; S184-A191 PolarHBondContact O-N 3.02Å; S184-C235 PolarHBondContact OG-N 2.84Å
185	A	98.4	Very high	95.4	Very high	13 Å²	13	32.5 Å²	32.5	11%	0.107	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	131.8	-176.4	0	0	0	0	0	109.7	A131 T189	A131-A185 HydrophobicContact CB-CB 4Å; A185-T189 CarbonylContact C-O 3.38Å; A185-T189 WeakPolarHBondContact CA-O 3.47Å
186	G	97.1	Very high	95.6	Very high	6 Å²	6	33.9 Å²	33.9	6%	0.062	20%	0.197	C	C	.	.			trans	-116.6	-149.4	-174.5	0	0	0	0	0	113.4	G133 R134 N188 T189 G236	G133-G186 CarbonylContact C-O 3.6Å; G133-G186 WeakPolarHBondContact CA-O 3.45Å; R134-G186 PolarHBondContact N-O 3.22Å; G186-N188 PolarHBondContact O-N 3.43Å; G186-T189 VanDerWaalsContact CA-OG1 3.25Å; G186-T189 WeakPolarHBondContact CA-OG1 3.34Å; G186-T189 PolarHBondContact N-O 2.96Å; G186-T189 PolarHBondContact N-OG1 3.49Å; G186-G236 WeakPolarHBondContact CA-O 3.36Å
187	A	96.7	Very high	96.1	Very high	2 Å²	2	29 Å²	29	2%	0.017	17%	0.166	C	C	.	.	S	Bend	trans	-80.7	110.9	165.9	0	0	0	0	0	108.7	R134 T189 Y237 Y238	R134-A187 HydrophobicContact CB-CB 4.1Å; A187-T189 PolarHBondContact O-N 2.9Å; A187-Y237 HydrophobicContact CB-CD1 4.25Å; A187-Y237 HydrophobicContact CB-CG 4.41Å; A187-Y237 VanDerWaalsContact CB-O 3.28Å; A187-Y237 WeakPolarHBondContact CB-O 3.41Å; A187-Y237 PolarHBondContact N-O 3.2Å; A187-Y238 HydrophobicContact CB-CD1 4.17Å; A187-Y238 HydrophobicContact CB-CE1 3.82Å
188	N	98	Very high	96.6	Very high	29 Å²	29	28.7 Å²	28.7	16%	0.155	15%	0.15	C	C	.	.	S	Bend	trans	55.2	14.6	-176.9	-55.2	-19.9	0	0	0	115.8	N135 E154 Q156 G186 G203 D204	N135-N188 PolarHBondContact ND2-OD1 2.97Å; E154-N188 HydrophobicContact CB-CB 4.16Å; E154-N188 HydrophobicContact CG-CB 3.62Å; Q156-N188 WeakPolarHBondContact CB-O 3.43Å; Q156-N188 PolarHBondContact NE2-OD1 3.4Å; Q156-N188 VanDerWaalsContact NE2-OD1 3.11Å; G186-N188 PolarHBondContact O-N 3.43Å; N188-G203 WeakPolarHBondContact O-CA 3.21Å; N188-D204 HydrophobicContact CB-CB 3.77Å; N188-D204 WeakPolarHBondContact O-CB 3.4Å; N188-D204 PolarHBondContact O-N 2.76Å
189	T	98.4	Very high	97.1	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.006	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	150.9	176.8	53.4	0	0	0	0	111.6	H136 A185 G186 A187 D204 Q209 I210	H136-T189 PolarHBondContact CE1-O 3.39Å; H136-T189 VanDerWaalsContact CE1-O 3.28Å; H136-T189 PolarHBondContact NE2-O 3.21Å; H136-T189 VanDerWaalsContact NE2-O 3.12Å; A185-T189 CarbonylContact C-O 3.38Å; A185-T189 WeakPolarHBondContact CA-O 3.47Å; G186-T189 VanDerWaalsContact CA-OG1 3.25Å; G186-T189 WeakPolarHBondContact CA-OG1 3.34Å; G186-T189 PolarHBondContact N-O 2.96Å; G186-T189 PolarHBondContact N-OG1 3.49Å; A187-T189 PolarHBondContact O-N 2.9Å; T189-D204 HydrophobicContact CG2-CB 4.12Å; T189-D204 WeakPolarHBondContact CG2-O 3.43Å; T189-Q209 HydrophobicContact CG2-CB 4.43Å; T189-Q209 HydrophobicContact CG2-CG 3.43Å; T189-Q209 VanDerWaalsContact CG2-CG 3.43Å; T189-I210 HydrophobicContact CG2-CG2 3.69Å
190	S	98.8	Very high	97.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	145.9	-179.4	-92.8	0	0	0	0	111	H136 L138 Q156 M201 W202	H136-S190 PolarHBondContact CD2-OG 2.96Å; H136-S190 PolarHBondContact NE2-OG 2.86Å; L138-S190 WeakPolarHBondContact CD1-OG 3.36Å; Q156-S190 PolarHBondContact O-OG 2.77Å; S190-M201 CarbonylContact O-C 3.23Å; S190-M201 VanDerWaalsContact O-CA 3.3Å; S190-M201 WeakPolarHBondContact O-CA 3.46Å; S190-W202 VanDerWaalsContact CB-NE1 3.32Å; S190-W202 PolarHBondContact N-O 2.8Å; S190-W202 PolarHBondContact O-N 2.92Å
191	A	98.6	Very high	97.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	145.1	179.9	0	0	0	0	0	113	L183 S184 L199 F200 M201 I233	L183-A191 WeakPolarHBondContact CA-O 3.34Å; S184-A191 PolarHBondContact N-O 3.09Å; S184-A191 PolarHBondContact O-N 3.02Å; A191-L199 HydrophobicContact CB-CD1 4.19Å; A191-F200 CarbonylContact C-O 3.55Å; A191-F200 VanDerWaalsContact CA-O 3.24Å; A191-F200 WeakPolarHBondContact CA-O 3.22Å; A191-M201 HydrophobicContact CB-CE 3.95Å; A191-M201 HydrophobicContact CB-CG 3.9Å; A191-I233 HydrophobicContact CB-CG1 3.94Å
192	A	98.3	Very high	97.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	127.7	171.3	0	0	0	0	0	110.2	F174 I180 L183 F200 W202	F174-A192 HydrophobicContact CE1-CB 4.05Å; F174-A192 HydrophobicContact CE2-CB 4.46Å; F174-A192 HydrophobicContact CZ-CB 3.74Å; I180-A192 HydrophobicContact CD1-CB 4.31Å; L183-A192 HydrophobicContact CD2-CB 3.72Å; A192-F200 PolarHBondContact N-O 3.28Å; A192-F200 PolarHBondContact O-N 3.2Å; A192-W202 HydrophobicContact CB-CH2 3.96Å; A192-W202 HydrophobicContact CB-CZ3 4.01Å
193	L	98.1	Very high	97.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	130	174.5	175.3	62	0	0	0	109.1	K181 Q182 L199 I230 I233	K181-L193 WeakPolarHBondContact CB-O 3.48Å; K181-L193 HydrophobicContact CD-CD2 4.3Å; K181-L193 HydrophobicContact CD-CG 4.47Å; K181-L193 PolarHBondContact N-O 3.45Å; Q182-L193 HydrophobicContact CB-CB 4.18Å; Q182-L193 HydrophobicContact CB-CD2 4.41Å; Q182-L193 PolarHBondContact N-O 3.37Å; Q182-L193 VanDerWaalsContact N-O 3.16Å; Q182-L193 PolarHBondContact O-N 3.03Å; L193-L199 HydrophobicContact CD1-CB 4.43Å; L193-I230 HydrophobicContact CD1-CB 3.84Å; L193-I230 HydrophobicContact CD1-CG2 3.7Å; L193-I230 HydrophobicContact CD2-CG2 4.05Å; L193-I233 HydrophobicContact CB-CG2 3.79Å; L193-I233 HydrophobicContact CD2-CG2 4.18Å
194	T	96.6	Very high	97.6	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.006	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	160.2	177.4	50	0	0	0	0	112.1	D178 T179 I180 D196 G197 K198 F200	D178-T194 HydrophobicContact CB-CG2 4.4Å; T179-T194 CarbonylContact O-C 3.57Å; T179-T194 WeakPolarHBondContact O-CA 3.49Å; I180-T194 HydrophobicContact CD1-CG2 4.14Å; T194-D196 VanDerWaalsContact C-N 3.3Å; T194-D196 VanDerWaalsContact CB-OD1 3.25Å; T194-D196 WeakPolarHBondContact CB-OD1 3.45Å; T194-D196 PolarHBondContact O-N 2.63Å; T194-D196 PolarHBondContact OG1-OD1 3.01Å; T194-G197 PolarHBondContact O-N 3.47Å; T194-G197 VanDerWaalsContact O-N 3.08Å; T194-K198 PolarHBondContact N-O 3.36Å; T194-K198 WeakPolarHBondContact OG1-CA 3.16Å; T194-K198 WeakPolarHBondContact OG1-CB 3.37Å; T194-K198 PolarHBondContact OG1-N 3.05Å; T194-K198 PolarHBondContact OG1-O 3.4Å; T194-F200 HydrophobicContact CG2-CD2 4.41Å; T194-F200 HydrophobicContact CG2-CE2 4.02Å
195	E	94.4	Very high	97.6	Very high	116 Å²	116	17.5 Å²	17.5	54%	0.542	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-24.3	176.9	-66.1	-73.7	-167.3	0	0	113.4	T179 K181 G197	T179-E195 PolarHBondContact O-N 2.86Å; K181-E195 VanDerWaalsContact CB-CD 3.49Å; K181-E195 HydrophobicContact CB-CG 3.91Å; K181-E195 VanDerWaalsContact CD-OE2 3.3Å; K181-E195 WeakPolarHBondContact CD-OE2 3.46Å; K181-E195 VanDerWaalsContact CG-OE2 3.22Å; K181-E195 WeakPolarHBondContact CG-OE2 3.42Å; E195-G197 PolarHBondContact O-N 2.98Å
196	D	93.7	Very high	97.5	Very high	90 Å²	90	19.4 Å²	19.4	48%	0.481	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	2.2	170.3	71.9	-49.4	0	0	0	113.3	T194 K198	T194-D196 VanDerWaalsContact C-N 3.3Å; T194-D196 VanDerWaalsContact CB-OD1 3.25Å; T194-D196 WeakPolarHBondContact CB-OD1 3.45Å; T194-D196 PolarHBondContact O-N 2.63Å; T194-D196 PolarHBondContact OG1-OD1 3.01Å; D196-K198 IonicContact OD1-NZ 3.52Å; D196-K198 IonicContact OD2-NZ 2.7Å; D196-K198 PolarHBondContact OD2-NZ 3.08Å
197	G	95.9	Very high	97.5	Very high	6 Å²	6	22.5 Å²	22.5	6%	0.062	12%	0.116	C	C	.	.			trans	87.9	13.2	167.8	0	0	0	0	0	115.6	T194 E195 I230	T194-G197 PolarHBondContact O-N 3.47Å; T194-G197 VanDerWaalsContact O-N 3.08Å; E195-G197 PolarHBondContact O-N 2.98Å; G197-I230 WeakPolarHBondContact CA-O 3.43Å; G197-I230 PolarHBondContact O-N 2.88Å
198	K	97.1	Very high	97.5	Very high	75 Å²	75	22.4 Å²	22.4	33%	0.326	12%	0.115	S	C	.	.			trans	-78	131.4	167	-53.9	-165.2	-161.8	73	0	110.7	T194 D196 F200	T194-K198 PolarHBondContact N-O 3.36Å; T194-K198 WeakPolarHBondContact OG1-CA 3.16Å; T194-K198 WeakPolarHBondContact OG1-CB 3.37Å; T194-K198 PolarHBondContact OG1-N 3.05Å; T194-K198 PolarHBondContact OG1-O 3.4Å; D196-K198 IonicContact OD1-NZ 3.52Å; D196-K198 IonicContact OD2-NZ 2.7Å; D196-K198 PolarHBondContact OD2-NZ 3.08Å; K198-F200 HydrophobicContact CB-CE2 3.81Å; K198-F200 HydrophobicContact CB-CZ 4.08Å; K198-F200 HydrophobicContact CD-CE2 4.46Å; K198-F200 HydrophobicContact CD-CZ 4.02Å
199	L	98.3	Very high	97.4	Very high	1 Å²	1	21 Å²	21	1%	0.005	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	127.7	172.4	172.4	63.5	0	0	0	109.4	A191 L193 M201 E223 V224 I230 I233 F242	A191-L199 HydrophobicContact CB-CD1 4.19Å; L193-L199 HydrophobicContact CD1-CB 4.43Å; L199-M201 HydrophobicContact CD1-CG 3.94Å; L199-M201 HydrophobicContact CD1-SD 4.49Å; L199-M201 HydrophobicContact CD2-CG 4.16Å; L199-M201 HydrophobicContact CD2-SD 3.89Å; L199-M201 HydrophobicContact CG-CG 3.87Å; L199-M201 HydrophobicContact CG-SD 4.28Å; L199-E223 WeakPolarHBondContact O-CA 3.37Å; L199-V224 HydrophobicContact CD2-CB 4.21Å; L199-V224 HydrophobicContact CD2-CG1 4.38Å; L199-V224 HydrophobicContact CG-CB 4.33Å; L199-V224 PolarHBondContact O-N 2.98Å; L199-I230 HydrophobicContact CB-CD1 3.52Å; L199-I230 HydrophobicContact CD2-CD1 3.81Å; L199-I230 HydrophobicContact CG-CD1 4.33Å; L199-I233 HydrophobicContact CD1-CB 4.12Å; L199-I233 HydrophobicContact CD1-CD1 3.91Å; L199-I233 HydrophobicContact CD1-CG1 3.78Å; L199-I233 HydrophobicContact CD1-CG2 4.49Å; L199-I233 HydrophobicContact CD2-CD1 3.92Å; L199-F242 HydrophobicContact CD2-CB 4.28Å; L199-F242 HydrophobicContact CD2-CD1 3.46Å; L199-F242 VanDerWaalsContact CD2-CD1 3.46Å; L199-F242 HydrophobicContact CD2-CE1 4.04Å; L199-F242 HydrophobicContact CD2-CG 4.08Å
200	F	98.3	Very high	97.4	Very high	12 Å²	12	21 Å²	21	5%	0.053	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	133.7	169.8	-59.8	-83.3	0	0	0	109.7	F173 F174 A191 A192 T194 K198 W202 P221 H222 E223	F173-F200 AromaticContact CE1-CD1 3.61Å; F173-F200 HydrophobicContact CE1-CD1 3.61Å; F173-F200 AromaticContact CE1-CE1 3.66Å; F173-F200 HydrophobicContact CE1-CE1 3.66Å; F173-F200 HydrophobicContact CE1-CG 4.1Å; F173-F200 HydrophobicContact CE1-CZ 4.16Å; F173-F200 AromaticContact CZ-CD1 3.72Å; F173-F200 HydrophobicContact CZ-CD1 3.72Å; F173-F200 AromaticContact CZ-CE1 3.61Å; F173-F200 HydrophobicContact CZ-CE1 3.61Å; F173-F200 HydrophobicContact CZ-CZ 4.42Å; F174-F200 HydrophobicContact CE1-CB 4.2Å; F174-F200 AromaticContact CE1-CD2 3.8Å; F174-F200 HydrophobicContact CE1-CD2 3.8Å; F174-F200 HydrophobicContact CE1-CE2 4.45Å; F174-F200 HydrophobicContact CE1-CG 4.09Å; F174-F200 HydrophobicContact CZ-CB 4Å; F174-F200 HydrophobicContact CZ-CD2 4.45Å; F174-F200 HydrophobicContact CZ-CG 4.35Å; A191-F200 CarbonylContact C-O 3.55Å; A191-F200 VanDerWaalsContact CA-O 3.24Å; A191-F200 WeakPolarHBondContact CA-O 3.22Å; A192-F200 PolarHBondContact N-O 3.28Å; A192-F200 PolarHBondContact O-N 3.2Å; T194-F200 HydrophobicContact CG2-CD2 4.41Å; T194-F200 HydrophobicContact CG2-CE2 4.02Å; K198-F200 HydrophobicContact CB-CE2 3.81Å; K198-F200 HydrophobicContact CB-CZ 4.08Å; K198-F200 HydrophobicContact CD-CE2 4.46Å; K198-F200 HydrophobicContact CD-CZ 4.02Å; F200-W202 HydrophobicContact CB-CZ3 4.33Å; F200-P221 HydrophobicContact CB-CB 4.24Å; F200-H222 CarbonylContact C-O 3.53Å; F200-H222 WeakPolarHBondContact CA-O 3.25Å; F200-E223 HydrophobicContact CD1-CB 4Å; F200-E223 HydrophobicContact CE1-CB 3.84Å; F200-E223 HydrophobicContact CE1-CG 4.22Å
201	M	98.6	Very high	97.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	152.1	178	-53.7	-170.9	76.2	0	0	111.6	S190 A191 L199 I210 H222 V224 I233 F252	S190-M201 CarbonylContact O-C 3.23Å; S190-M201 VanDerWaalsContact O-CA 3.3Å; S190-M201 WeakPolarHBondContact O-CA 3.46Å; A191-M201 HydrophobicContact CB-CE 3.95Å; A191-M201 HydrophobicContact CB-CG 3.9Å; L199-M201 HydrophobicContact CD1-CG 3.94Å; L199-M201 HydrophobicContact CD1-SD 4.49Å; L199-M201 HydrophobicContact CD2-CG 4.16Å; L199-M201 HydrophobicContact CD2-SD 3.89Å; L199-M201 HydrophobicContact CG-CG 3.87Å; L199-M201 HydrophobicContact CG-SD 4.28Å; M201-I210 HydrophobicContact CB-CB 3.83Å; M201-I210 HydrophobicContact CB-CG2 4.1Å; M201-I210 HydrophobicContact CE-CB 4.25Å; M201-I210 HydrophobicContact CE-CG2 3.98Å; M201-I210 HydrophobicContact SD-CB 4.4Å; M201-H222 PolarHBondContact N-O 3.39Å; M201-H222 PolarHBondContact O-N 2.98Å; M201-V224 HydrophobicContact CB-CG2 3.85Å; M201-V224 HydrophobicContact CG-CB 4.36Å; M201-V224 HydrophobicContact CG-CG2 3.8Å; M201-V224 HydrophobicContact SD-CB 4.43Å; M201-V224 HydrophobicContact SD-CG1 4.49Å; M201-V224 HydrophobicContact SD-CG2 4.09Å; M201-I233 HydrophobicContact CE-CD1 4.22Å; M201-I233 HydrophobicContact SD-CD1 4.42Å; M201-F252 HydrophobicContact CE-CE2 4.05Å; M201-F252 HydrophobicContact CE-CZ 4.25Å; M201-F252 HydrophobicContact SD-CE2 3.74Å; M201-F252 HydrophobicContact SD-CZ 3.72Å
202	W	98.7	Very high	97.1	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	174.4	178.9	62.7	95	0	0	0	112.7	L138 Q156 G158 I171 F174 S190 A192 F200 V218 P221	L138-W202 HydrophobicContact CD1-CH2 4.13Å; L138-W202 HydrophobicContact CD1-CZ2 3.87Å; L138-W202 HydrophobicContact CD2-CZ2 3.89Å; Q156-W202 PolarHBondContact O-NE1 2.77Å; G158-W202 VanDerWaalsContact CA-CD1 3.48Å; I171-W202 HydrophobicContact CD1-CH2 4.33Å; I171-W202 HydrophobicContact CD1-CZ2 3.55Å; F174-W202 AromaticContact CE2-CH2 3.73Å; F174-W202 HydrophobicContact CE2-CH2 3.73Å; F174-W202 HydrophobicContact CE2-CZ2 4.48Å; F174-W202 AromaticContact CE2-CZ3 3.91Å; F174-W202 HydrophobicContact CE2-CZ3 3.91Å; F174-W202 AromaticContact CZ-CH2 3.92Å; F174-W202 HydrophobicContact CZ-CH2 3.92Å; F174-W202 AromaticContact CZ-CZ3 3.7Å; F174-W202 HydrophobicContact CZ-CZ3 3.7Å; S190-W202 VanDerWaalsContact CB-NE1 3.32Å; S190-W202 PolarHBondContact N-O 2.8Å; S190-W202 PolarHBondContact O-N 2.92Å; A192-W202 HydrophobicContact CB-CH2 3.96Å; A192-W202 HydrophobicContact CB-CZ3 4.01Å; F200-W202 HydrophobicContact CB-CZ3 4.33Å; W202-V218 HydrophobicContact CB-CG2 3.9Å; W202-P221 HydrophobicContact CD2-CB 4.23Å; W202-P221 HydrophobicContact CD2-CG 3.87Å; W202-P221 HydrophobicContact CE3-CB 3.65Å; W202-P221 HydrophobicContact CE3-CG 3.69Å; W202-P221 HydrophobicContact CG-CG 4.45Å; W202-P221 HydrophobicContact CH2-CG 4.45Å; W202-P221 HydrophobicContact CZ3-CB 4.06Å; W202-P221 HydrophobicContact CZ3-CG 4.01Å
203	G	98.5	Very high	96.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	92.2	-143.6	-168.7	0	0	0	0	0	111.8	E154 N188 I210 N217 V218	E154-G203 CarbonylContact O-C 3.49Å; N188-G203 WeakPolarHBondContact O-CA 3.21Å; G203-I210 WeakPolarHBondContact O-CD1 3.26Å; G203-N217 CarbonylContact O-C 3.39Å; G203-N217 WeakPolarHBondContact O-CA 3.33Å; G203-N217 WeakPolarHBondContact O-CB 3.15Å; G203-V218 PolarHBondContact N-O 2.94Å; G203-V218 PolarHBondContact O-N 2.82Å
204	D	98.4	Very high	96.6	Very high	16 Å²	16	36 Å²	36	9%	0.086	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	133.1	-173.9	-168	-3.7	0	0	0	113.7	E154 N188 T189 S206 Q209	E154-D204 HydrophobicContact CB-CB 3.86Å; E154-D204 HydrophobicContact CG-CB 3.93Å; N188-D204 HydrophobicContact CB-CB 3.77Å; N188-D204 WeakPolarHBondContact O-CB 3.4Å; N188-D204 PolarHBondContact O-N 2.76Å; T189-D204 HydrophobicContact CG2-CB 4.12Å; T189-D204 WeakPolarHBondContact CG2-O 3.43Å; D204-S206 VanDerWaalsContact OD1-CB 3.22Å; D204-S206 WeakPolarHBondContact OD1-CB 3.49Å; D204-S206 PolarHBondContact OD1-N 3.32Å; D204-S206 PolarHBondContact OD1-OG 3.09Å; D204-S206 PolarHBondContact OD2-OG 2.93Å; D204-Q209 WeakPolarHBondContact O-CG 3.03Å; D204-Q209 PolarHBondContact OD1-NE2 3.02Å; D204-Q209 PolarHBondContact OD2-NE2 2.8Å
205	N	98	Very high	96.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.204	C	C	.	.			trans	-133.6	20.2	171.5	-161.9	64.5	0	0	0	111.6	E207 G208 Q209 I210 G211 L212 E213 K215 S216 R271	N205-E207 PolarHBondContact O-N 2.79Å; N205-E207 VanDerWaalsContact O-N 3.14Å; N205-G208 PolarHBondContact O-N 3.06Å; N205-G208 VanDerWaalsContact OD1-CA 3.26Å; N205-G208 WeakPolarHBondContact OD1-CA 3.4Å; N205-G208 PolarHBondContact OD1-O 2.96Å; N205-Q209 VanDerWaalsContact CA-OE1 3.29Å; N205-Q209 PolarHBondContact OD1-N 3.41Å; N205-I210 HydrophobicContact CB-CD1 4Å; N205-I210 HydrophobicContact CB-CG1 3.56Å; N205-I210 WeakPolarHBondContact OD1-CG1 3.47Å; N205-I210 PolarHBondContact OD1-N 3.36Å; N205-I210 VanDerWaalsContact OD1-N 3.13Å; N205-G211 PolarHBondContact OD1-N 3.43Å; N205-L212 PolarHBondContact OD1-N 3.04Å; N205-E213 PolarHBondContact ND2-O 2.93Å; N205-E213 VanDerWaalsContact ND2-O 3.1Å; N205-K215 WeakPolarHBondContact CB-O 3.45Å; N205-K215 PolarHBondContact ND2-O 2.96Å; N205-S216 CarbonylContact C-O 3.35Å; N205-S216 VanDerWaalsContact CA-O 3.26Å; N205-S216 WeakPolarHBondContact CA-O 3.46Å; N205-S216 PolarHBondContact N-O 2.83Å; N205-R271 PolarHBondContact O-NH1 2.89Å
206	S	96.8	Very high	96.4	Very high	52 Å²	52	38.6 Å²	38.6	36%	0.364	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-41.2	-179.5	44.8	0	0	0	0	113	D204 Q209 S216 R271	D204-S206 VanDerWaalsContact OD1-CB 3.22Å; D204-S206 WeakPolarHBondContact OD1-CB 3.49Å; D204-S206 PolarHBondContact OD1-N 3.32Å; D204-S206 PolarHBondContact OD1-OG 3.09Å; D204-S206 PolarHBondContact OD2-OG 2.93Å; S206-Q209 PolarHBondContact OG-NE2 3.16Å; S206-S216 PolarHBondContact N-O 2.84Å; S206-R271 VanDerWaalsContact O-CZ 3.23Å; S206-R271 PolarHBondContact O-NH1 2.85Å; S206-R271 PolarHBondContact O-NH2 2.92Å
207	E	96.6	Very high	96.5	Very high	71 Å²	71	36.5 Å²	36.5	33%	0.332	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	12.3	176.4	-65	-51.2	134.6	0	0	113.4	N205 G253 E254 H270 R271	N205-E207 PolarHBondContact O-N 2.79Å; N205-E207 VanDerWaalsContact O-N 3.14Å; E207-G253 CarbonylContact O-C 3.47Å; E207-G253 WeakPolarHBondContact O-CA 3.49Å; E207-E254 HydrophobicContact CB-CB 3.91Å; E207-E254 HydrophobicContact CG-CB 4.17Å; E207-E254 PolarHBondContact O-N 3.03Å; E207-H270 PolarHBondContact O-CE1 3.19Å; E207-H270 VanDerWaalsContact O-CE1 3.22Å; E207-H270 PolarHBondContact O-ND1 3.25Å; E207-H270 IonicContact OE2-CE1 3.5Å; E207-R271 IonicContact OE2-NH2 2.71Å
208	G	96.6	Very high	96.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	82.3	14.1	-178.1	0	0	0	0	0	115.1	N205 I210 G211 G253	N205-G208 PolarHBondContact O-N 3.06Å; N205-G208 VanDerWaalsContact OD1-CA 3.26Å; N205-G208 WeakPolarHBondContact OD1-CA 3.4Å; N205-G208 PolarHBondContact OD1-O 2.96Å; G208-I210 PolarHBondContact O-N 2.83Å; G208-I210 VanDerWaalsContact O-N 3.14Å; G208-G211 PolarHBondContact O-N 2.98Å; G208-G253 PolarHBondContact O-N 3.29Å
209	Q	97.1	Very high	96.6	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-3.2	-167.4	65.4	-88.9	47.2	0	0	115.7	T189 D204 N205 S206 S240	T189-Q209 HydrophobicContact CG2-CB 4.43Å; T189-Q209 HydrophobicContact CG2-CG 3.43Å; T189-Q209 VanDerWaalsContact CG2-CG 3.43Å; D204-Q209 WeakPolarHBondContact O-CG 3.03Å; D204-Q209 PolarHBondContact OD1-NE2 3.02Å; D204-Q209 PolarHBondContact OD2-NE2 2.8Å; N205-Q209 VanDerWaalsContact CA-OE1 3.29Å; N205-Q209 PolarHBondContact OD1-N 3.41Å; S206-Q209 PolarHBondContact OG-NE2 3.16Å; Q209-S240 VanDerWaalsContact O-CB 3.31Å; Q209-S240 WeakPolarHBondContact O-CB 3.27Å; Q209-S240 PolarHBondContact O-OG 2.9Å
210	I	97.4	Very high	96.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	8.1	165.3	61.5	173.9	0	0	0	113.2	T189 M201 G203 N205 G208 L212 V218 V224	T189-I210 HydrophobicContact CG2-CG2 3.69Å; M201-I210 HydrophobicContact CB-CB 3.83Å; M201-I210 HydrophobicContact CB-CG2 4.1Å; M201-I210 HydrophobicContact CE-CB 4.25Å; M201-I210 HydrophobicContact CE-CG2 3.98Å; M201-I210 HydrophobicContact SD-CB 4.4Å; G203-I210 WeakPolarHBondContact O-CD1 3.26Å; N205-I210 HydrophobicContact CB-CD1 4Å; N205-I210 HydrophobicContact CB-CG1 3.56Å; N205-I210 WeakPolarHBondContact OD1-CG1 3.47Å; N205-I210 PolarHBondContact OD1-N 3.36Å; N205-I210 VanDerWaalsContact OD1-N 3.13Å; G208-I210 PolarHBondContact O-N 2.83Å; G208-I210 VanDerWaalsContact O-N 3.14Å; I210-L212 HydrophobicContact CD1-CD1 3.66Å; I210-L212 HydrophobicContact CD1-CG 4.29Å; I210-L212 HydrophobicContact CG1-CD1 4.05Å; I210-L212 HydrophobicContact CG1-CG 4.12Å; I210-L212 PolarHBondContact O-N 2.89Å; I210-V218 HydrophobicContact CD1-CG2 3.81Å; I210-V224 WeakPolarHBondContact O-CG2 3.36Å
211	G	96.3	Very high	96.6	Very high	9 Å²	9	38.1 Å²	38.1	9%	0.093	21%	0.207	C	C	.	.	S	Bend	trans	73.5	24.8	168	0	0	0	0	0	115.1	N205 G208 F252 R271	N205-G211 PolarHBondContact OD1-N 3.43Å; G208-G211 PolarHBondContact O-N 2.98Å; G211-F252 VanDerWaalsContact N-CD2 3.32Å; G211-R271 CarbonylContact C-O 3.49Å; G211-R271 WeakPolarHBondContact CA-O 3.33Å
212	L	95.5	Very high	96.6	Very high	19 Å²	19	41.1 Å²	41.1	10%	0.099	22%	0.221	C	C	.	.			trans	-104.1	35.5	-175.8	-62	-179.8	0	0	0	113.7	N205 I210 D214 K215 V218 H222 V224	N205-L212 PolarHBondContact OD1-N 3.04Å; I210-L212 HydrophobicContact CD1-CD1 3.66Å; I210-L212 HydrophobicContact CD1-CG 4.29Å; I210-L212 HydrophobicContact CG1-CD1 4.05Å; I210-L212 HydrophobicContact CG1-CG 4.12Å; I210-L212 PolarHBondContact O-N 2.89Å; L212-D214 PolarHBondContact O-N 3.2Å; L212-K215 HydrophobicContact CB-CB 4.36Å; L212-K215 HydrophobicContact CB-CD 4.2Å; L212-K215 HydrophobicContact CD1-CD 4.48Å; L212-K215 PolarHBondContact O-N 2.91Å; L212-V218 HydrophobicContact CD1-CB 4.48Å; L212-V218 HydrophobicContact CD1-CG1 3.93Å; L212-V218 HydrophobicContact CD1-CG2 3.66Å; L212-H222 HydrophobicContact CD1-CB 3.8Å; L212-H222 HydrophobicContact CD2-CB 4.13Å; L212-V224 HydrophobicContact CD2-CG2 3.86Å; L212-V224 HydrophobicContact CG-CG2 4.47Å
213	E	93.5	Very high	96.5	Very high	132 Å²	132	45.7 Å²	45.7	62%	0.617	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.3	-126.8	173.6	-57.6	174.4	164.3	0	0	111.8	N205 K215 R271	N205-E213 PolarHBondContact ND2-O 2.93Å; N205-E213 VanDerWaalsContact ND2-O 3.1Å; E213-K215 VanDerWaalsContact C-N 3.3Å; E213-K215 PolarHBondContact O-N 2.98Å; E213-R271 PolarHBondContact N-O 2.88Å; E213-R271 VanDerWaalsContact N-O 3.17Å
214	D	92.1	Very high	96.4	Very high	155 Å²	155	46 Å²	46	83%	0.829	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	1.4	-173.7	-64.4	-32.1	0	0	0	114.8	L212	L212-D214 PolarHBondContact O-N 3.2Å
215	K	93.6	Very high	96.3	Very high	92 Å²	92	49.1 Å²	49.1	40%	0.4	26%	0.264	S	S	.	.			trans	-66.3	136.8	174.6	-65.1	-174.5	-173.1	169.7	0	109.8	N205 L212 E213 V218 H222	N205-K215 WeakPolarHBondContact CB-O 3.45Å; N205-K215 PolarHBondContact ND2-O 2.96Å; L212-K215 HydrophobicContact CB-CB 4.36Å; L212-K215 HydrophobicContact CB-CD 4.2Å; L212-K215 HydrophobicContact CD1-CD 4.48Å; L212-K215 PolarHBondContact O-N 2.91Å; E213-K215 VanDerWaalsContact C-N 3.3Å; E213-K215 PolarHBondContact O-N 2.98Å; K215-V218 HydrophobicContact CD-CG1 3.71Å; K215-H222 PolarHBondContact NZ-CD2 2.88Å; K215-H222 PolarHBondContact NZ-NE2 2.89Å
216	S	93.5	Very high	96.2	Very high	79 Å²	79	51.1 Å²	51.1	55%	0.552	28%	0.276	S	S	*	.	S	Bend	trans	-70.1	-42	174.8	53.6	0	0	0	0	112.7	N205 S206	N205-S216 CarbonylContact C-O 3.35Å; N205-S216 VanDerWaalsContact CA-O 3.26Å; N205-S216 WeakPolarHBondContact CA-O 3.46Å; N205-S216 PolarHBondContact N-O 2.83Å; S206-S216 PolarHBondContact N-O 2.84Å
217	N	96.7	Very high	96.1	Very high	46 Å²	46	52.2 Å²	52.2	25%	0.246	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.5	165.4	-176.9	66.3	-57.6	0	0	0	109	E154 G203	E154-N217 HydrophobicContact CB-CB 4.42Å; E154-N217 PolarHBondContact O-ND2 2.9Å; G203-N217 CarbonylContact O-C 3.39Å; G203-N217 WeakPolarHBondContact O-CA 3.33Å; G203-N217 WeakPolarHBondContact O-CB 3.15Å
218	V	97.8	Very high	96.1	Very high	13 Å²	13	51.9 Å²	51.9	8%	0.079	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	129.7	172.2	-60.8	0	0	0	0	112.2	W202 G203 I210 L212 K215 I220	W202-V218 HydrophobicContact CB-CG2 3.9Å; G203-V218 PolarHBondContact N-O 2.94Å; G203-V218 PolarHBondContact O-N 2.82Å; I210-V218 HydrophobicContact CD1-CG2 3.81Å; L212-V218 HydrophobicContact CD1-CB 4.48Å; L212-V218 HydrophobicContact CD1-CG1 3.93Å; L212-V218 HydrophobicContact CD1-CG2 3.66Å; K215-V218 HydrophobicContact CD-CG1 3.71Å; V218-I220 VanDerWaalsContact C-N 3.3Å; V218-I220 PolarHBondContact O-N 3.35Å
219	C	97.4	Very high	96.1	Very high	30 Å²	30	54.7 Å²	54.7	20%	0.203	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	9.4	-177.9	-45.4	0	0	0	0	114.6	G158 L159 G160	G158-C219 CarbonylContact C-O 3.3Å; G158-C219 VanDerWaalsContact CA-O 3.23Å; G158-C219 WeakPolarHBondContact CA-O 3.29Å; L159-C219 PolarHBondContact N-O 3.25Å; G160-C219 WeakPolarHBondContact CA-O 3.32Å; G160-C219 PolarHBondContact N-O 3.31Å
220	I	97.5	Very high	96.2	Very high	82 Å²	82	54.8 Å²	54.8	42%	0.421	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	141	-176.8	-59	179.4	0	0	0	107.4	F173 V218 H222	F173-I220 HydrophobicContact CD2-CG2 4.26Å; V218-I220 VanDerWaalsContact C-N 3.3Å; V218-I220 PolarHBondContact O-N 3.35Å; I220-H222 PolarHBondContact O-N 3.18Å; I220-H222 PolarHBondContact O-ND1 3.36Å
221	P	98.1	Very high	96.2	Very high	4 Å²	4	55.9 Å²	55.9	3%	0.026	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-48.7	131.1	173.7	-27.6	34.7	0	0	0	113.4	I171 F173 F174 F200 W202	I171-P221 HydrophobicContact CG2-CG 3.75Å; F173-P221 HydrophobicContact CB-CB 4.45Å; F173-P221 HydrophobicContact CB-CG 3.99Å; F173-P221 HydrophobicContact CD1-CB 3.66Å; F173-P221 HydrophobicContact CD1-CG 4Å; F173-P221 HydrophobicContact CD2-CB 4.26Å; F173-P221 HydrophobicContact CE1-CB 3.89Å; F173-P221 HydrophobicContact CE2-CB 4.44Å; F173-P221 HydrophobicContact CG-CB 3.87Å; F173-P221 HydrophobicContact CG-CG 3.97Å; F173-P221 HydrophobicContact CZ-CB 4.27Å; F174-P221 HydrophobicContact CD2-CG 4.4Å; F174-P221 HydrophobicContact CE2-CB 4.06Å; F174-P221 HydrophobicContact CE2-CG 3.53Å; F174-P221 HydrophobicContact CZ-CB 3.91Å; F174-P221 HydrophobicContact CZ-CG 3.92Å; F200-P221 HydrophobicContact CB-CB 4.24Å; W202-P221 HydrophobicContact CD2-CB 4.23Å; W202-P221 HydrophobicContact CD2-CG 3.87Å; W202-P221 HydrophobicContact CE3-CB 3.65Å; W202-P221 HydrophobicContact CE3-CG 3.69Å; W202-P221 HydrophobicContact CG-CG 4.45Å; W202-P221 HydrophobicContact CH2-CG 4.45Å; W202-P221 HydrophobicContact CZ3-CB 4.06Å; W202-P221 HydrophobicContact CZ3-CG 4.01Å
222	H	97.8	Very high	96.3	Very high	62 Å²	62	58.6 Å²	58.6	29%	0.287	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	141.2	173.8	-81.6	68.8	0	0	0	109.7	F200 M201 L212 K215 I220	F200-H222 CarbonylContact C-O 3.53Å; F200-H222 WeakPolarHBondContact CA-O 3.25Å; M201-H222 PolarHBondContact N-O 3.39Å; M201-H222 PolarHBondContact O-N 2.98Å; L212-H222 HydrophobicContact CD1-CB 3.8Å; L212-H222 HydrophobicContact CD2-CB 4.13Å; K215-H222 PolarHBondContact NZ-CD2 2.88Å; K215-H222 PolarHBondContact NZ-NE2 2.89Å; I220-H222 PolarHBondContact O-N 3.18Å; I220-H222 PolarHBondContact O-ND1 3.36Å
223	E	97.1	Very high	96.5	Very high	96 Å²	96	57.7 Å²	57.7	45%	0.449	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	134.7	174.7	-168.8	172.4	165.8	0	0	110.8	L199 F200	L199-E223 WeakPolarHBondContact O-CA 3.37Å; F200-E223 HydrophobicContact CD1-CB 4Å; F200-E223 HydrophobicContact CE1-CB 3.84Å; F200-E223 HydrophobicContact CE1-CG 4.22Å
224	V	97.1	Very high	96.7	Very high	6 Å²	6	52.2 Å²	52.2	4%	0.036	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	114.3	175.8	-179.7	0	0	0	0	107.3	L199 M201 I210 L212 F242 P273	L199-V224 HydrophobicContact CD2-CB 4.21Å; L199-V224 HydrophobicContact CD2-CG1 4.38Å; L199-V224 HydrophobicContact CG-CB 4.33Å; L199-V224 PolarHBondContact O-N 2.98Å; M201-V224 HydrophobicContact CB-CG2 3.85Å; M201-V224 HydrophobicContact CG-CB 4.36Å; M201-V224 HydrophobicContact CG-CG2 3.8Å; M201-V224 HydrophobicContact SD-CB 4.43Å; M201-V224 HydrophobicContact SD-CG1 4.49Å; M201-V224 HydrophobicContact SD-CG2 4.09Å; I210-V224 WeakPolarHBondContact O-CG2 3.36Å; L212-V224 HydrophobicContact CD2-CG2 3.86Å; L212-V224 HydrophobicContact CG-CG2 4.47Å; V224-F242 HydrophobicContact CG1-CE1 4.24Å; V224-P273 HydrophobicContact CG1-CG 3.83Å
225	T	95.9	Very high	97	Very high	82 Å²	82	45.2 Å²	45.2	50%	0.503	26%	0.262	S	S	.	.			trans	-142.7	148.4	-171.7	-175.4	0	0	0	0	112.3	G227	T225-G227 PolarHBondContact OG1-N 2.86Å
226	V	95	Very high	97.2	Very high	42 Å²	42	41 Å²	41	26%	0.255	24%	0.244	S	C	.	.	S	Bend	trans	-118.6	26.3	173.6	-67.8	0	0	0	0	111.2	K228 F242 T244 Y250 P273	V226-K228 HydrophobicContact CG2-CB 4.44Å; V226-K228 PolarHBondContact O-N 3.46Å; V226-F242 HydrophobicContact CG1-CZ 3.9Å; V226-F242 HydrophobicContact CG2-CE2 3.84Å; V226-F242 HydrophobicContact CG2-CZ 3.95Å; V226-T244 HydrophobicContact CG2-CG2 4.41Å; V226-Y250 HydrophobicContact CB-CE1 4Å; V226-Y250 HydrophobicContact CG1-CD1 3.91Å; V226-Y250 HydrophobicContact CG1-CE1 3.77Å; V226-Y250 HydrophobicContact CG2-CD1 4.38Å; V226-Y250 HydrophobicContact CG2-CD2 4.46Å; V226-Y250 HydrophobicContact CG2-CE1 4.01Å; V226-Y250 HydrophobicContact CG2-CE2 4.11Å; V226-P273 HydrophobicContact CG1-CB 3.96Å
227	G	95.5	Very high	97.3	Very high	76 Å²	76	38.4 Å²	38.4	78%	0.784	22%	0.223	S	C	*	.	S	Bend	trans	72.8	11.4	-176.6	0	0	0	0	0	114.5	T225	T225-G227 PolarHBondContact OG1-N 2.86Å
228	K	96.4	Very high	97.3	Very high	63 Å²	63	40 Å²	40	27%	0.274	23%	0.226	S	C	.	.	S	Bend	trans	-133.1	144.3	-179.3	-65.9	-170.8	171.7	-160.2	0	111.1	V226 T244 D246 E248	V226-K228 HydrophobicContact CG2-CB 4.44Å; V226-K228 PolarHBondContact O-N 3.46Å; K228-T244 HydrophobicContact CB-CG2 4.03Å; K228-T244 HydrophobicContact CD-CG2 4.2Å; K228-D246 WeakPolarHBondContact CD-OD2 3.26Å; K228-D246 WeakPolarHBondContact CE-OD2 3.23Å; K228-D246 IonicContact NZ-OD2 3.53Å; K228-D246 PolarHBondContact NZ-OD2 3.13Å; K228-E248 VanDerWaalsContact CD-OE2 3.27Å; K228-E248 WeakPolarHBondContact CD-OE2 3.24Å; K228-E248 WeakPolarHBondContact CE-OE2 3.41Å; K228-E248 IonicContact NZ-OE1 3Å; K228-E248 PolarHBondContact NZ-OE1 2.86Å; K228-E248 IonicContact NZ-OE2 2.86Å; K228-E248 PolarHBondContact NZ-OE2 3.15Å
229	P	97.4	Very high	97.4	Very high	59 Å²	59	39.4 Å²	39.4	38%	0.383	22%	0.222	S	C	.	.			trans	-69.6	142.9	175.8	30	-34.7	0	0	0	111	T244 M245	P229-T244 CarbonylContact O-C 3.55Å; P229-T244 WeakPolarHBondContact O-CA 3.34Å; P229-M245 HydrophobicContact CB-CG 4.08Å; P229-M245 HydrophobicContact CB-SD 3.73Å; P229-M245 HydrophobicContact CG-CB 4.18Å; P229-M245 HydrophobicContact CG-CG 4Å; P229-M245 HydrophobicContact CG-SD 3.74Å; P229-M245 PolarHBondContact O-N 2.94Å
230	I	98.3	Very high	97.4	Very high	3 Å²	3	38 Å²	38	2%	0.015	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	138.9	-173	-68.8	166.7	0	0	0	110.3	L193 G197 L199 F242 V243	L193-I230 HydrophobicContact CD1-CB 3.84Å; L193-I230 HydrophobicContact CD1-CG2 3.7Å; L193-I230 HydrophobicContact CD2-CG2 4.05Å; G197-I230 WeakPolarHBondContact CA-O 3.43Å; G197-I230 PolarHBondContact O-N 2.88Å; L199-I230 HydrophobicContact CB-CD1 3.52Å; L199-I230 HydrophobicContact CD2-CD1 3.81Å; L199-I230 HydrophobicContact CG-CD1 4.33Å; I230-F242 HydrophobicContact CD1-CD1 4.12Å; I230-F242 HydrophobicContact CD1-CD2 3.7Å; I230-F242 HydrophobicContact CD1-CE1 4.15Å; I230-F242 HydrophobicContact CD1-CE2 3.73Å; I230-F242 HydrophobicContact CD1-CG 3.93Å; I230-F242 HydrophobicContact CD1-CZ 3.97Å; I230-F242 HydrophobicContact CG1-CD2 3.75Å; I230-F242 HydrophobicContact CG1-CE2 3.96Å; I230-F242 HydrophobicContact CG1-CG 4.32Å; I230-F242 HydrophobicContact CG2-CB 3.92Å; I230-F242 HydrophobicContact CG2-CD2 4.26Å; I230-F242 HydrophobicContact CG2-CG 4.27Å; I230-V243 WeakPolarHBondContact CG2-O 3.3Å
231	S	97.8	Very high	97.5	Very high	23 Å²	23	34 Å²	34	16%	0.161	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	-29.6	-176.1	67.1	0	0	0	0	113.7	K181 V243 T244	K181-S231 PolarHBondContact NZ-O 2.85Å; S231-V243 PolarHBondContact N-O 2.93Å; S231-V243 PolarHBondContact OG-O 2.82Å; S231-V243 VanDerWaalsContact OG-O 3.06Å; S231-T244 WeakPolarHBondContact CB-O 3.42Å; S231-T244 PolarHBondContact OG-O 3.4Å
232	W	98.6	Very high	97.5	Very high	66 Å²	66	33.9 Å²	33.9	25%	0.25	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	147.4	-177.2	-158.7	-88.6	0	0	0	111.7	F242 V243 Q285 V286	W232-F242 CarbonylContact O-C 3.53Å; W232-F242 VanDerWaalsContact O-CA 3.23Å; W232-F242 WeakPolarHBondContact O-CA 3.42Å; W232-F242 VanDerWaalsContact O-CB 3.26Å; W232-F242 WeakPolarHBondContact O-CB 3.49Å; W232-V243 HydrophobicContact CB-CB 4.04Å; W232-V243 HydrophobicContact CB-CG2 4.06Å; W232-V243 PolarHBondContact N-O 3.01Å; W232-V243 PolarHBondContact O-N 3.42Å; W232-Q285 HydrophobicContact CD2-CB 4.28Å; W232-Q285 HydrophobicContact CD2-CG 4.01Å; W232-Q285 HydrophobicContact CE3-CG 4.13Å; W232-Q285 HydrophobicContact CH2-CG 3.92Å; W232-Q285 HydrophobicContact CZ2-CB 4.24Å; W232-Q285 HydrophobicContact CZ2-CG 3.78Å; W232-Q285 HydrophobicContact CZ3-CG 4.09Å; W232-V286 PolarHBondContact NE1-O 3.05Å
233	I	98.5	Very high	97.5	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	142.8	176.7	176.7	64.2	0	0	0	111.5	Q182 A191 L193 L199 M201 F242	Q182-I233 HydrophobicContact CB-CG2 4.22Å; Q182-I233 HydrophobicContact CG-CG2 4.01Å; Q182-I233 PolarHBondContact NE2-O 3.17Å; A191-I233 HydrophobicContact CB-CG1 3.94Å; L193-I233 HydrophobicContact CB-CG2 3.79Å; L193-I233 HydrophobicContact CD2-CG2 4.18Å; L199-I233 HydrophobicContact CD1-CB 4.12Å; L199-I233 HydrophobicContact CD1-CD1 3.91Å; L199-I233 HydrophobicContact CD1-CG1 3.78Å; L199-I233 HydrophobicContact CD1-CG2 4.49Å; L199-I233 HydrophobicContact CD2-CD1 3.92Å; M201-I233 HydrophobicContact CE-CD1 4.22Å; M201-I233 HydrophobicContact SD-CD1 4.42Å; I233-F242 HydrophobicContact CD1-CB 4.02Å
234	S	98.6	Very high	97.6	Very high	16 Å²	16	26.3 Å²	26.3	11%	0.112	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	127.7	164.9	-174.2	0	0	0	0	111.3	S240 A241 V286 C288	S234-S240 WeakPolarHBondContact O-CA 3.34Å; S234-A241 PolarHBondContact N-O 3.31Å; S234-A241 PolarHBondContact O-N 2.89Å; S234-V286 WeakPolarHBondContact CB-O 3.42Å; S234-C288 PolarHBondContact OG-N 2.91Å
235	C	98.3	Very high	97.5	Very high	9 Å²	9	30.9 Å²	30.9	6%	0.061	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	125.4	164.8	-61.5	0	0	0	0	109	S184	S184-C235 PolarHBondContact OG-N 2.84Å
236	G	97.4	Very high	97.5	Very high	3 Å²	3	31.2 Å²	31.2	3%	0.031	18%	0.177	C	C	.	.			trans	-86.5	-155.8	167	0	0	0	0	0	110.9	G186 H239 C288 G289	G186-G236 WeakPolarHBondContact CA-O 3.36Å; G236-H239 VanDerWaalsContact CA-O 3.29Å; G236-H239 WeakPolarHBondContact CA-O 3.43Å; G236-H239 PolarHBondContact N-O 3.36Å; G236-C288 VanDerWaalsContact CA-CB 3.49Å; G236-G289 CarbonylContact C-O 3.37Å; G236-G289 WeakPolarHBondContact CA-O 3.24Å
237	Y	96.4	Very high	97.6	Very high	25 Å²	25	29.6 Å²	29.6	10%	0.098	17%	0.168	C	C	.	.	S	Bend	trans	-73.8	-59.7	174.6	-79.3	-126.3	0	0	0	110.3	D82 A187 G289 E342	D82-Y237 PolarHBondContact OD1-OH 3.05Å; A187-Y237 HydrophobicContact CB-CD1 4.25Å; A187-Y237 HydrophobicContact CB-CG 4.41Å; A187-Y237 VanDerWaalsContact CB-O 3.28Å; A187-Y237 WeakPolarHBondContact CB-O 3.41Å; A187-Y237 PolarHBondContact N-O 3.2Å; Y237-G289 PolarHBondContact N-O 3.46Å; Y237-E342 HydrophobicContact CE1-CB 4.39Å; Y237-E342 HydrophobicContact CE1-CG 4.08Å; Y237-E342 HydrophobicContact CE2-CB 3.73Å; Y237-E342 HydrophobicContact CE2-CG 4.18Å
238	Y	97.4	Very high	97.6	Very high	78 Å²	78	27.3 Å²	27.3	31%	0.306	14%	0.137	S	C	.	.	S	Bend	trans	-123.5	19.7	-175	-40.2	-59.4	0	0	0	113.2	R134 A187 E254	R134-Y238 PolarHBondContact NH1-OH 2.99Å; R134-Y238 VanDerWaalsContact NH1-OH 3.14Å; A187-Y238 HydrophobicContact CB-CD1 4.17Å; A187-Y238 HydrophobicContact CB-CE1 3.82Å; Y238-E254 VanDerWaalsContact O-CB 3.24Å; Y238-E254 WeakPolarHBondContact O-CB 3.48Å; Y238-E254 PolarHBondContact O-N 2.71Å
239	H	98.3	Very high	97.7	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	158.4	174.3	68.4	-64.1	0	0	0	110.2	G236 F252 K259 L260 H292 T293	G236-H239 VanDerWaalsContact CA-O 3.29Å; G236-H239 WeakPolarHBondContact CA-O 3.43Å; G236-H239 PolarHBondContact N-O 3.36Å; H239-F252 WeakPolarHBondContact CA-O 3.22Å; H239-F252 WeakPolarHBondContact CB-O 3.35Å; H239-K259 HydrophobicContact CB-CD 4.49Å; H239-K259 WeakPolarHBondContact ND1-CE 3.44Å; H239-K259 PolarHBondContact ND1-NZ 2.89Å; H239-L260 HydrophobicContact CB-CD2 3.9Å; H239-H292 PolarHBondContact NE2-O 2.81Å; H239-T293 PolarHBondContact CD2-OG1 2.35Å; H239-T293 PolarHBondContact NE2-OG1 3.09Å
240	S	98.6	Very high	97.8	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	158.5	177.7	-62.7	0	0	0	0	110.8	Q209 S234 F252	Q209-S240 VanDerWaalsContact O-CB 3.31Å; Q209-S240 WeakPolarHBondContact O-CB 3.27Å; Q209-S240 PolarHBondContact O-OG 2.9Å; S234-S240 WeakPolarHBondContact O-CA 3.34Å; S240-F252 PolarHBondContact N-O 2.97Å; S240-F252 PolarHBondContact O-N 3.5Å; S240-F252 VanDerWaalsContact O-N 3.07Å
241	A	98.6	Very high	97.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	143.8	176.2	0	0	0	0	0	111.5	S234 L249 Y250 T251 V286 C288	S234-A241 PolarHBondContact N-O 3.31Å; S234-A241 PolarHBondContact O-N 2.89Å; A241-L249 HydrophobicContact CB-CD1 4.18Å; A241-Y250 CarbonylContact C-O 3.06Å; A241-Y250 WeakPolarHBondContact CA-O 3.38Å; A241-Y250 WeakPolarHBondContact CB-O 3.39Å; A241-T251 HydrophobicContact CB-CG2 3.89Å; A241-V286 HydrophobicContact CB-CB 4.42Å; A241-V286 HydrophobicContact CB-CG1 3.95Å; A241-V286 HydrophobicContact CB-CG2 3.67Å; A241-V286 WeakPolarHBondContact O-CG1 3.26Å; A241-C288 VanDerWaalsContact CB-SG 3.55Å
242	F	98.6	Very high	97.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	161.8	173.1	65.1	-111.4	0	0	0	111.9	L199 V224 V226 I230 W232 I233 Y250 F252 P273	L199-F242 HydrophobicContact CD2-CB 4.28Å; L199-F242 HydrophobicContact CD2-CD1 3.46Å; L199-F242 VanDerWaalsContact CD2-CD1 3.46Å; L199-F242 HydrophobicContact CD2-CE1 4.04Å; L199-F242 HydrophobicContact CD2-CG 4.08Å; V224-F242 HydrophobicContact CG1-CE1 4.24Å; V226-F242 HydrophobicContact CG1-CZ 3.9Å; V226-F242 HydrophobicContact CG2-CE2 3.84Å; V226-F242 HydrophobicContact CG2-CZ 3.95Å; I230-F242 HydrophobicContact CD1-CD1 4.12Å; I230-F242 HydrophobicContact CD1-CD2 3.7Å; I230-F242 HydrophobicContact CD1-CE1 4.15Å; I230-F242 HydrophobicContact CD1-CE2 3.73Å; I230-F242 HydrophobicContact CD1-CG 3.93Å; I230-F242 HydrophobicContact CD1-CZ 3.97Å; I230-F242 HydrophobicContact CG1-CD2 3.75Å; I230-F242 HydrophobicContact CG1-CE2 3.96Å; I230-F242 HydrophobicContact CG1-CG 4.32Å; I230-F242 HydrophobicContact CG2-CB 3.92Å; I230-F242 HydrophobicContact CG2-CD2 4.26Å; I230-F242 HydrophobicContact CG2-CG 4.27Å; W232-F242 CarbonylContact O-C 3.53Å; W232-F242 VanDerWaalsContact O-CA 3.23Å; W232-F242 WeakPolarHBondContact O-CA 3.42Å; W232-F242 VanDerWaalsContact O-CB 3.26Å; W232-F242 WeakPolarHBondContact O-CB 3.49Å; I233-F242 HydrophobicContact CD1-CB 4.02Å; F242-Y250 HydrophobicContact CD2-CD2 4.4Å; F242-Y250 HydrophobicContact CD2-CG 4.38Å; F242-Y250 VanDerWaalsContact CE2-CB 3.47Å; F242-Y250 HydrophobicContact CE2-CD1 4.4Å; F242-Y250 AromaticContact CE2-CD2 3.8Å; F242-Y250 HydrophobicContact CE2-CD2 3.8Å; F242-Y250 AromaticContact CE2-CG 3.65Å; F242-Y250 HydrophobicContact CE2-CG 3.65Å; F242-Y250 HydrophobicContact CZ-CD1 4.37Å; F242-Y250 AromaticContact CZ-CG 3.97Å; F242-Y250 HydrophobicContact CZ-CG 3.97Å; F242-Y250 PolarHBondContact N-O 2.9Å; F242-Y250 PolarHBondContact O-N 3Å; F242-F252 AromaticContact CD1-CE1 3.46Å; F242-F252 HydrophobicContact CD1-CE1 3.46Å; F242-F252 VanDerWaalsContact CD1-CE1 3.46Å; F242-F252 AromaticContact CD1-CZ 3.84Å; F242-F252 HydrophobicContact CD1-CZ 3.84Å; F242-F252 HydrophobicContact CE1-CD1 4.44Å; F242-F252 AromaticContact CE1-CE1 3.53Å; F242-F252 HydrophobicContact CE1-CE1 3.53Å; F242-F252 HydrophobicContact CE1-CZ 4.06Å; F242-P273 HydrophobicContact CE1-CB 3.72Å; F242-P273 HydrophobicContact CE1-CG 4.02Å; F242-P273 HydrophobicContact CZ-CB 3.77Å; F242-P273 HydrophobicContact CZ-CG 4.39Å
243	V	98.5	Very high	97.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	133	179.5	-170.8	0	0	0	0	108.2	I230 S231 W232 E248 L249 V283 V286	I230-V243 WeakPolarHBondContact CG2-O 3.3Å; S231-V243 PolarHBondContact N-O 2.93Å; S231-V243 PolarHBondContact OG-O 2.82Å; S231-V243 VanDerWaalsContact OG-O 3.06Å; W232-V243 HydrophobicContact CB-CB 4.04Å; W232-V243 HydrophobicContact CB-CG2 4.06Å; W232-V243 PolarHBondContact N-O 3.01Å; W232-V243 PolarHBondContact O-N 3.42Å; V243-E248 CarbonylContact C-O 3.11Å; V243-E248 WeakPolarHBondContact CA-O 3.34Å; V243-L249 HydrophobicContact CG2-CD1 4.37Å; V243-V283 HydrophobicContact CB-CG1 4.41Å; V243-V283 HydrophobicContact CG1-CB 3.95Å; V243-V283 HydrophobicContact CG1-CG1 3.78Å; V243-V283 WeakPolarHBondContact CG1-O 3.32Å; V243-V283 HydrophobicContact CG2-CG1 3.64Å; V243-V286 HydrophobicContact CG2-CB 4.21Å; V243-V286 HydrophobicContact CG2-CG1 3.88Å
244	T	98.1	Very high	97.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	168.1	174.5	63.1	0	0	0	0	111.4	V226 K228 P229 S231 D246 G247 E248 Y250	V226-T244 HydrophobicContact CG2-CG2 4.41Å; K228-T244 HydrophobicContact CB-CG2 4.03Å; K228-T244 HydrophobicContact CD-CG2 4.2Å; P229-T244 CarbonylContact O-C 3.55Å; P229-T244 WeakPolarHBondContact O-CA 3.34Å; S231-T244 WeakPolarHBondContact CB-O 3.42Å; S231-T244 PolarHBondContact OG-O 3.4Å; T244-D246 PolarHBondContact O-N 3.16Å; T244-G247 PolarHBondContact O-N 3.03Å; T244-G247 PolarHBondContact OG1-N 2.81Å; T244-E248 HydrophobicContact CG2-CB 4.4Å; T244-E248 PolarHBondContact N-O 3.03Å; T244-E248 WeakPolarHBondContact OG1-CB 3.46Å; T244-E248 PolarHBondContact OG1-N 3Å; T244-E248 PolarHBondContact OG1-OE2 3.23Å; T244-Y250 HydrophobicContact CG2-CD2 3.95Å; T244-Y250 HydrophobicContact CG2-CE2 3.7Å
245	M	96.2	Very high	97.6	Very high	101 Å²	101	21.1 Å²	21.1	50%	0.498	11%	0.105	S	C	.	.	S	Bend	trans	-65.2	-26.6	170.5	-67.1	-172.1	74.2	0	0	112.7	P229 G247 R282	P229-M245 HydrophobicContact CB-CG 4.08Å; P229-M245 HydrophobicContact CB-SD 3.73Å; P229-M245 HydrophobicContact CG-CB 4.18Å; P229-M245 HydrophobicContact CG-CG 4Å; P229-M245 HydrophobicContact CG-SD 3.74Å; P229-M245 PolarHBondContact O-N 2.94Å; M245-G247 PolarHBondContact O-N 2.83Å; M245-R282 PolarHBondContact O-NH2 2.84Å
246	D	95.4	Very high	97.4	Very high	90 Å²	90	26.4 Å²	26.4	48%	0.481	13%	0.129	S	C	.	.	S	Bend	trans	-65.4	-26.6	171.1	-58.4	-15.6	0	0	0	111.3	K228 T244 E248 R282	K228-D246 WeakPolarHBondContact CD-OD2 3.26Å; K228-D246 WeakPolarHBondContact CE-OD2 3.23Å; K228-D246 IonicContact NZ-OD2 3.53Å; K228-D246 PolarHBondContact NZ-OD2 3.13Å; T244-D246 PolarHBondContact O-N 3.16Å; D246-E248 HydrophobicContact CB-CG 4.32Å; D246-R282 WeakPolarHBondContact O-CG 3.25Å; D246-R282 PolarHBondContact O-NE 3.08Å
247	G	96	Very high	97.3	Very high	7 Å²	7	28.7 Å²	28.7	7%	0.072	14%	0.14	C	C	.	.			trans	93.2	29.4	-177.6	0	0	0	0	0	113.5	T244 M245 V283	T244-G247 PolarHBondContact O-N 3.03Å; T244-G247 PolarHBondContact OG1-N 2.81Å; M245-G247 PolarHBondContact O-N 2.83Å; G247-V283 WeakPolarHBondContact CA-O 3.22Å; G247-V283 WeakPolarHBondContact O-CB 3.27Å; G247-V283 PolarHBondContact O-N 2.9Å
248	E	97.3	Very high	97.3	Very high	28 Å²	28	28.1 Å²	28.1	13%	0.131	14%	0.142	C	C	.	.			trans	-90.1	137.5	171.7	-56.3	163.5	143	0	0	109.3	K228 V243 T244 D246 Y250 R275	K228-E248 VanDerWaalsContact CD-OE2 3.27Å; K228-E248 WeakPolarHBondContact CD-OE2 3.24Å; K228-E248 WeakPolarHBondContact CE-OE2 3.41Å; K228-E248 IonicContact NZ-OE1 3Å; K228-E248 PolarHBondContact NZ-OE1 2.86Å; K228-E248 IonicContact NZ-OE2 2.86Å; K228-E248 PolarHBondContact NZ-OE2 3.15Å; V243-E248 CarbonylContact C-O 3.11Å; V243-E248 WeakPolarHBondContact CA-O 3.34Å; T244-E248 HydrophobicContact CG2-CB 4.4Å; T244-E248 PolarHBondContact N-O 3.03Å; T244-E248 WeakPolarHBondContact OG1-CB 3.46Å; T244-E248 PolarHBondContact OG1-N 3Å; T244-E248 PolarHBondContact OG1-OE2 3.23Å; D246-E248 HydrophobicContact CB-CG 4.32Å; E248-Y250 HydrophobicContact CB-CD2 4.45Å; E248-Y250 HydrophobicContact CB-CE2 3.96Å; E248-R275 IonicContact OE1-CZ 2.68Å; E248-R275 VanDerWaalsContact OE1-CZ 3.29Å; E248-R275 IonicContact OE1-NH1 3.57Å; E248-R275 PolarHBondContact OE1-NH1 3.05Å; E248-R275 IonicContact OE1-NH2 2.73Å; E248-R275 PolarHBondContact OE1-NH2 2.84Å
249	L	98.2	Very high	97.2	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.016	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	132.7	177.8	176	65.8	0	0	0	111.2	A241 V243 T251 R275 V276 I279 V283 V286 V295 F304	A241-L249 HydrophobicContact CB-CD1 4.18Å; V243-L249 HydrophobicContact CG2-CD1 4.37Å; L249-T251 HydrophobicContact CD1-CG2 4.45Å; L249-T251 HydrophobicContact CG-CG2 4.27Å; L249-R275 WeakPolarHBondContact O-CA 3.33Å; L249-V276 HydrophobicContact CB-CB 4.33Å; L249-V276 HydrophobicContact CD2-CB 3.97Å; L249-V276 HydrophobicContact CD2-CG1 4.27Å; L249-V276 HydrophobicContact CD2-CG2 3.91Å; L249-V276 HydrophobicContact CG-CB 4.16Å; L249-V276 HydrophobicContact CG-CG2 4.02Å; L249-V276 PolarHBondContact O-N 2.24Å; L249-I279 HydrophobicContact CD2-CD1 3.9Å; L249-V283 HydrophobicContact CB-CG2 4.15Å; L249-V286 HydrophobicContact CD1-CB 4.02Å; L249-V286 HydrophobicContact CD1-CG1 4.3Å; L249-V286 HydrophobicContact CD1-CG2 4.01Å; L249-V295 HydrophobicContact CD2-CG1 4.16Å; L249-V295 HydrophobicContact CD2-CG2 3.62Å; L249-F304 HydrophobicContact CD2-CE1 4.47Å; L249-F304 HydrophobicContact CD2-CZ 4.11Å
250	Y	98.4	Very high	97.2	Very high	30 Å²	30	24.4 Å²	24.4	12%	0.118	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	142.2	173	-74.8	-104	0	0	0	110.9	V226 A241 F242 T244 E248 P273 Q274 R275	V226-Y250 HydrophobicContact CB-CE1 4Å; V226-Y250 HydrophobicContact CG1-CD1 3.91Å; V226-Y250 HydrophobicContact CG1-CE1 3.77Å; V226-Y250 HydrophobicContact CG2-CD1 4.38Å; V226-Y250 HydrophobicContact CG2-CD2 4.46Å; V226-Y250 HydrophobicContact CG2-CE1 4.01Å; V226-Y250 HydrophobicContact CG2-CE2 4.11Å; A241-Y250 CarbonylContact C-O 3.06Å; A241-Y250 WeakPolarHBondContact CA-O 3.38Å; A241-Y250 WeakPolarHBondContact CB-O 3.39Å; F242-Y250 HydrophobicContact CD2-CD2 4.4Å; F242-Y250 HydrophobicContact CD2-CG 4.38Å; F242-Y250 VanDerWaalsContact CE2-CB 3.47Å; F242-Y250 HydrophobicContact CE2-CD1 4.4Å; F242-Y250 AromaticContact CE2-CD2 3.8Å; F242-Y250 HydrophobicContact CE2-CD2 3.8Å; F242-Y250 AromaticContact CE2-CG 3.65Å; F242-Y250 HydrophobicContact CE2-CG 3.65Å; F242-Y250 HydrophobicContact CZ-CD1 4.37Å; F242-Y250 AromaticContact CZ-CG 3.97Å; F242-Y250 HydrophobicContact CZ-CG 3.97Å; F242-Y250 PolarHBondContact N-O 2.9Å; F242-Y250 PolarHBondContact O-N 3Å; T244-Y250 HydrophobicContact CG2-CD2 3.95Å; T244-Y250 HydrophobicContact CG2-CE2 3.7Å; E248-Y250 HydrophobicContact CB-CD2 4.45Å; E248-Y250 HydrophobicContact CB-CE2 3.96Å; Y250-P273 HydrophobicContact CD1-CB 4.31Å; Y250-P273 WeakPolarHBondContact CD1-O 3.38Å; Y250-Q274 CarbonylContact C-O 3.58Å; Y250-Q274 VanDerWaalsContact CA-O 3.25Å; Y250-Q274 WeakPolarHBondContact CA-O 3.48Å; Y250-R275 HydrophobicContact CD1-CB 4.25Å; Y250-R275 HydrophobicContact CE1-CB 3.9Å; Y250-R275 HydrophobicContact CE2-CB 4.39Å
251	T	98.3	Very high	97.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	141.6	-171.8	49.4	0	0	0	0	111.7	A241 L249 L260 Q274 V276	A241-T251 HydrophobicContact CB-CG2 3.89Å; L249-T251 HydrophobicContact CD1-CG2 4.45Å; L249-T251 HydrophobicContact CG-CG2 4.27Å; T251-L260 WeakPolarHBondContact CB-O 3.48Å; T251-L260 WeakPolarHBondContact CG2-O 3.19Å; T251-L260 PolarHBondContact OG1-O 3.12Å; T251-Q274 PolarHBondContact N-O 3Å; T251-Q274 PolarHBondContact O-N 2.87Å; T251-Q274 VanDerWaalsContact O-N 3.17Å; T251-Q274 PolarHBondContact OG1-O 2.91Å; T251-V276 HydrophobicContact CG2-CG2 3.62Å; T251-V276 WeakPolarHBondContact OG1-CG2 3.41Å
252	F	98.2	Very high	96.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	158.6	-175.5	45.9	-79.7	0	0	0	111.7	M201 G211 H239 S240 F242 H270 P273	M201-F252 HydrophobicContact CE-CE2 4.05Å; M201-F252 HydrophobicContact CE-CZ 4.25Å; M201-F252 HydrophobicContact SD-CE2 3.74Å; M201-F252 HydrophobicContact SD-CZ 3.72Å; G211-F252 VanDerWaalsContact N-CD2 3.32Å; H239-F252 WeakPolarHBondContact CA-O 3.22Å; H239-F252 WeakPolarHBondContact CB-O 3.35Å; S240-F252 PolarHBondContact N-O 2.97Å; S240-F252 PolarHBondContact O-N 3.5Å; S240-F252 VanDerWaalsContact O-N 3.07Å; F242-F252 AromaticContact CD1-CE1 3.46Å; F242-F252 HydrophobicContact CD1-CE1 3.46Å; F242-F252 VanDerWaalsContact CD1-CE1 3.46Å; F242-F252 AromaticContact CD1-CZ 3.84Å; F242-F252 HydrophobicContact CD1-CZ 3.84Å; F242-F252 HydrophobicContact CE1-CD1 4.44Å; F242-F252 AromaticContact CE1-CE1 3.53Å; F242-F252 HydrophobicContact CE1-CE1 3.53Å; F242-F252 HydrophobicContact CE1-CZ 4.06Å; F252-H270 WeakPolarHBondContact CA-O 3.46Å; F252-H270 WeakPolarHBondContact CB-O 3.38Å; F252-P273 HydrophobicContact CD1-CB 3.64Å; F252-P273 HydrophobicContact CD1-CG 3.85Å; F252-P273 HydrophobicContact CE1-CB 4.01Å; F252-P273 HydrophobicContact CE1-CG 4.09Å; F252-P273 HydrophobicContact CG-CB 4.35Å; F252-P273 HydrophobicContact CG-CG 4.2Å
253	G	97.8	Very high	96.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	117.4	-159.1	-175.1	0	0	0	0	0	113.8	E207 G208 H270	E207-G253 CarbonylContact O-C 3.47Å; E207-G253 WeakPolarHBondContact O-CA 3.49Å; G208-G253 PolarHBondContact O-N 3.29Å; G253-H270 PolarHBondContact N-O 2.87Å; G253-H270 WeakPolarHBondContact O-CB 3.27Å; G253-H270 PolarHBondContact O-ND1 3.05Å
254	E	97.5	Very high	96.5	Very high	34 Å²	34	33.4 Å²	33.4	16%	0.159	18%	0.18	C	C	.	.			trans	-51.6	121.7	-178.5	176.2	-169.8	-95.3	0	0	110.8	E207 Y238 E256 K259	E207-E254 HydrophobicContact CB-CB 3.91Å; E207-E254 HydrophobicContact CG-CB 4.17Å; E207-E254 PolarHBondContact O-N 3.03Å; Y238-E254 VanDerWaalsContact O-CB 3.24Å; Y238-E254 WeakPolarHBondContact O-CB 3.48Å; Y238-E254 PolarHBondContact O-N 2.71Å; E254-E256 HydrophobicContact CG-CB 4.09Å; E254-E256 HydrophobicContact CG-CG 3.93Å; E254-E256 PolarHBondContact O-N 2.71Å; E254-K259 WeakPolarHBondContact O-CE 3.37Å; E254-K259 VanDerWaalsContact OE2-CE 3.23Å; E254-K259 WeakPolarHBondContact OE2-CE 3.29Å; E254-K259 IonicContact OE2-NZ 2.77Å; E254-K259 PolarHBondContact OE2-NZ 3.5Å
255	P	96.5	Very high	96.2	Very high	35 Å²	35	40.4 Å²	40.4	23%	0.227	21%	0.213	C	C	.	.			trans	-80.3	-2.7	-172.3	32	-34.7	0	0	0	113.7	L260 L267 H270	P255-L260 HydrophobicContact CB-CD1 4.24Å; P255-L267 HydrophobicContact CB-CB 4.27Å; P255-L267 HydrophobicContact CB-CD2 4.16Å; P255-H270 HydrophobicContact CB-CB 4.15Å
256	E	95.1	Very high	96.1	Very high	120 Å²	120	38.3 Å²	38.3	56%	0.561	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-68.3	161.9	-173	-60.8	-160	159.9	0	0	114.8	E254 G258 K259	E254-E256 HydrophobicContact CG-CB 4.09Å; E254-E256 HydrophobicContact CG-CG 3.93Å; E254-E256 PolarHBondContact O-N 2.71Å; E256-G258 PolarHBondContact O-N 2.96Å; E256-K259 WeakPolarHBondContact O-CG 3.36Å; E256-K259 PolarHBondContact O-N 3.41Å
257	N	94.7	Very high	96	Very high	50 Å²	50	36 Å²	36	27%	0.267	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	57.6	13.2	172.1	-51.7	-94.4	0	0	0	114.9	K259 G305 L306 E320	N257-K259 VanDerWaalsContact C-N 3.27Å; N257-K259 PolarHBondContact O-N 3.04Å; N257-G305 CarbonylContact O-C 2.98Å; N257-G305 VanDerWaalsContact O-C 3.24Å; N257-G305 WeakPolarHBondContact O-CA 3.3Å; N257-L306 HydrophobicContact CB-CB 4Å; N257-E320 WeakPolarHBondContact CA-OE1 3.43Å
258	G	95.2	Very high	95.9	Very high	13 Å²	13	43.5 Å²	43.5	13%	0.134	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	73	9.4	-178.5	0	0	0	0	0	115.6	E256 L260 G261	E256-G258 PolarHBondContact O-N 2.96Å; G258-L260 PolarHBondContact O-N 2.66Å; G258-L260 VanDerWaalsContact O-N 3.14Å; G258-G261 PolarHBondContact O-N 2.94Å; G258-G261 VanDerWaalsContact O-N 3.12Å
259	K	96.9	Very high	95.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-10	-168.5	74.7	-168.8	-177	155.9	0	115.5	H239 E254 E256 N257 G291 T293 F304 G305	H239-K259 HydrophobicContact CB-CD 4.49Å; H239-K259 WeakPolarHBondContact ND1-CE 3.44Å; H239-K259 PolarHBondContact ND1-NZ 2.89Å; E254-K259 WeakPolarHBondContact O-CE 3.37Å; E254-K259 VanDerWaalsContact OE2-CE 3.23Å; E254-K259 WeakPolarHBondContact OE2-CE 3.29Å; E254-K259 IonicContact OE2-NZ 2.77Å; E254-K259 PolarHBondContact OE2-NZ 3.5Å; E256-K259 WeakPolarHBondContact O-CG 3.36Å; E256-K259 PolarHBondContact O-N 3.41Å; N257-K259 VanDerWaalsContact C-N 3.27Å; N257-K259 PolarHBondContact O-N 3.04Å; K259-G291 WeakPolarHBondContact CB-O 3.32Å; K259-T293 PolarHBondContact O-OG1 3.36Å; K259-F304 WeakPolarHBondContact O-CD2 3.22Å; K259-F304 VanDerWaalsContact O-CE2 3.23Å; K259-F304 WeakPolarHBondContact O-CE2 3.4Å; K259-G305 VanDerWaalsContact CA-CA 3.49Å
260	L	97.3	Very high	95.6	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-18.9	172.8	-57.9	-173.8	0	0	0	113.2	H239 T251 P255 G258 L262 L267 H270 V276	H239-L260 HydrophobicContact CB-CD2 3.9Å; T251-L260 WeakPolarHBondContact CB-O 3.48Å; T251-L260 WeakPolarHBondContact CG2-O 3.19Å; T251-L260 PolarHBondContact OG1-O 3.12Å; P255-L260 HydrophobicContact CB-CD1 4.24Å; G258-L260 PolarHBondContact O-N 2.66Å; G258-L260 VanDerWaalsContact O-N 3.14Å; L260-L262 HydrophobicContact CB-CB 4.46Å; L260-L262 HydrophobicContact CB-CD1 4.04Å; L260-L262 HydrophobicContact CB-CG 4.05Å; L260-L262 HydrophobicContact CD1-CD1 4.23Å; L260-L262 PolarHBondContact O-N 2.88Å; L260-L267 HydrophobicContact CD1-CD2 4.24Å; L260-H270 HydrophobicContact CD1-CB 3.96Å; L260-V276 WeakPolarHBondContact O-CG2 3.22Å
261	G	96.1	Very high	95.5	Very high	4 Å²	4	49.5 Å²	49.5	4%	0.041	26%	0.255	C	S	.	.			trans	74.5	11.3	-179.8	0	0	0	0	0	114.3	G258 F304 S322	G258-G261 PolarHBondContact O-N 2.94Å; G258-G261 VanDerWaalsContact O-N 3.12Å; G261-F304 VanDerWaalsContact CA-CE2 3.47Å; G261-F304 VanDerWaalsContact N-CD2 3.25Å; G261-F304 VanDerWaalsContact N-CE2 3.32Å; G261-S322 CarbonylContact C-O 3.33Å; G261-S322 WeakPolarHBondContact CA-O 3.41Å
262	L	95.9	Very high	95.4	Very high	7 Å²	7	51.3 Å²	51.3	4%	0.037	27%	0.268	C	S	.	.			trans	-99.4	148.4	-175.3	-61.7	174.9	0	0	0	111.2	L260 L266 L267 Q274 V276	L260-L262 HydrophobicContact CB-CB 4.46Å; L260-L262 HydrophobicContact CB-CD1 4.04Å; L260-L262 HydrophobicContact CB-CG 4.05Å; L260-L262 HydrophobicContact CD1-CD1 4.23Å; L260-L262 PolarHBondContact O-N 2.88Å; L262-L266 HydrophobicContact CB-CB 4.36Å; L262-L267 HydrophobicContact CB-CD2 4.1Å; L262-Q274 HydrophobicContact CD1-CB 3.9Å; L262-Q274 HydrophobicContact CD2-CB 4.23Å; L262-V276 HydrophobicContact CD2-CG2 4.06Å
263	P	94.3	Very high	95.4	Very high	68 Å²	68	52.5 Å²	52.5	44%	0.442	28%	0.275	S	S	.	.			trans	-68.9	157.3	169.5	34	-37.9	0	0	0	111	E265 L266	P263-E265 VanDerWaalsContact C-N 3.26Å; P263-E265 WeakPolarHBondContact CB-OE2 3.29Å; P263-E265 PolarHBondContact O-N 3.42Å; P263-E265 VanDerWaalsContact O-N 3.16Å; P263-L266 HydrophobicContact CG-CB 4.44Å; P263-L266 HydrophobicContact CG-CD1 3.98Å; P263-L266 HydrophobicContact CG-CG 4.06Å; P263-L266 PolarHBondContact O-N 3.12Å
264	N	92.9	Very high	95.3	Very high	111 Å²	111	53.4 Å²	53.4	59%	0.594	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-59.1	-33.9	-166.8	-70.4	-12.2	0	0	0	113.7	L266 L267	N264-L266 PolarHBondContact O-N 2.63Å; N264-L267 WeakPolarHBondContact O-CB 3.16Å; N264-L267 PolarHBondContact O-N 2.86Å
265	E	92.4	Very high	95.3	Very high	147 Å²	147	57 Å²	57	69%	0.687	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-64.9	-29.6	-178.8	-56.5	71.4	-155.5	0	0	111.8	P263	P263-E265 VanDerWaalsContact C-N 3.26Å; P263-E265 WeakPolarHBondContact CB-OE2 3.29Å; P263-E265 PolarHBondContact O-N 3.42Å; P263-E265 VanDerWaalsContact O-N 3.16Å
266	L	94.1	Very high	95.3	Very high	57 Å²	57	55.6 Å²	55.6	30%	0.298	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-86.2	-14	178.7	-64.5	-172.8	0	0	0	113	L262 P263 N264 M268 N269 Q274	L262-L266 HydrophobicContact CB-CB 4.36Å; P263-L266 HydrophobicContact CG-CB 4.44Å; P263-L266 HydrophobicContact CG-CD1 3.98Å; P263-L266 HydrophobicContact CG-CG 4.06Å; P263-L266 PolarHBondContact O-N 3.12Å; N264-L266 PolarHBondContact O-N 2.63Å; L266-M268 PolarHBondContact O-N 2.82Å; L266-M268 VanDerWaalsContact O-N 3.16Å; L266-N269 PolarHBondContact O-N 2.86Å; L266-N269 VanDerWaalsContact O-N 3.09Å; L266-Q274 PolarHBondContact O-NE2 2.84Å; L266-Q274 PolarHBondContact O-OE1 3.09Å
267	L	93.6	Very high	95.2	Very high	42 Å²	42	56 Å²	56	22%	0.22	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-64.5	-20.4	-179.7	-61.8	178.9	0	0	0	113.1	P255 L260 L262 N264 N269 H270	P255-L267 HydrophobicContact CB-CB 4.27Å; P255-L267 HydrophobicContact CB-CD2 4.16Å; L260-L267 HydrophobicContact CD1-CD2 4.24Å; L262-L267 HydrophobicContact CB-CD2 4.1Å; N264-L267 WeakPolarHBondContact O-CB 3.16Å; N264-L267 PolarHBondContact O-N 2.86Å; L267-N269 PolarHBondContact O-N 2.93Å; L267-H270 WeakPolarHBondContact O-CB 3.32Å; L267-H270 PolarHBondContact O-CD2 3.32Å; L267-H270 PolarHBondContact O-N 2.98Å
268	M	92.9	Very high	94.9	Very high	163 Å²	163	55.7 Å²	55.7	80%	0.803	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-64	-29.9	174.3	-58.9	-167.2	74.9	0	0	112.7	L266	L266-M268 PolarHBondContact O-N 2.82Å; L266-M268 VanDerWaalsContact O-N 3.16Å
269	N	94.5	Very high	94.9	Very high	96 Å²	96	55.9 Å²	55.9	51%	0.513	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-97.5	19.8	-177.5	-67.3	-20.3	0	0	0	113	L266 L267 R271 S272 Q274	L266-N269 PolarHBondContact O-N 2.86Å; L266-N269 VanDerWaalsContact O-N 3.09Å; L267-N269 PolarHBondContact O-N 2.93Å; N269-R271 PolarHBondContact O-N 3.03Å; N269-S272 PolarHBondContact O-N 2.93Å; N269-S272 PolarHBondContact O-OG 2.9Å; N269-Q274 PolarHBondContact O-NE2 3.32Å; N269-Q274 VanDerWaalsContact O-NE2 3.14Å
270	H	95.2	Very high	94.6	Very high	22 Å²	22	61.3 Å²	61.3	10%	0.102	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-18.7	-173	72.8	102.8	0	0	0	115.7	E207 F252 G253 P255 L260 L267 S272	E207-H270 PolarHBondContact O-CE1 3.19Å; E207-H270 VanDerWaalsContact O-CE1 3.22Å; E207-H270 PolarHBondContact O-ND1 3.25Å; E207-H270 IonicContact OE2-CE1 3.5Å; F252-H270 WeakPolarHBondContact CA-O 3.46Å; F252-H270 WeakPolarHBondContact CB-O 3.38Å; G253-H270 PolarHBondContact N-O 2.87Å; G253-H270 WeakPolarHBondContact O-CB 3.27Å; G253-H270 PolarHBondContact O-ND1 3.05Å; P255-H270 HydrophobicContact CB-CB 4.15Å; L260-H270 HydrophobicContact CD1-CB 3.96Å; L267-H270 WeakPolarHBondContact O-CB 3.32Å; L267-H270 PolarHBondContact O-CD2 3.32Å; L267-H270 PolarHBondContact O-N 2.98Å; H270-S272 VanDerWaalsContact C-N 3.28Å; H270-S272 PolarHBondContact O-N 2.95Å
271	R	96.3	Very high	94.4	Very high	70 Å²	70	63.8 Å²	63.8	26%	0.264	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-7.6	176.5	-58.4	179.9	174.9	-86	-13.9	114.9	N205 S206 E207 G211 E213 N269	N205-R271 PolarHBondContact O-NH1 2.89Å; S206-R271 VanDerWaalsContact O-CZ 3.23Å; S206-R271 PolarHBondContact O-NH1 2.85Å; S206-R271 PolarHBondContact O-NH2 2.92Å; E207-R271 IonicContact OE2-NH2 2.71Å; G211-R271 CarbonylContact C-O 3.49Å; G211-R271 WeakPolarHBondContact CA-O 3.33Å; E213-R271 PolarHBondContact N-O 2.88Å; E213-R271 VanDerWaalsContact N-O 3.17Å; N269-R271 PolarHBondContact O-N 3.03Å
272	S	95.9	Very high	94.4	Very high	38 Å²	38	69.8 Å²	69.8	27%	0.266	36%	0.362	S	S	.	.	S	Bend	trans	-114.3	146.1	175.2	68.5	0	0	0	0	110.4	N269 H270 Q274	N269-S272 PolarHBondContact O-N 2.93Å; N269-S272 PolarHBondContact O-OG 2.9Å; H270-S272 VanDerWaalsContact C-N 3.28Å; H270-S272 PolarHBondContact O-N 2.95Å; S272-Q274 PolarHBondContact O-N 2.91Å; S272-Q274 VanDerWaalsContact O-N 3.07Å
273	P	97.6	Very high	94.5	Very high	24 Å²	24	69.7 Å²	69.7	16%	0.156	36%	0.362	C	S	.	.			trans	-63.1	109.5	174.9	-23.2	34.5	0	0	0	112.1	V224 V226 F242 Y250 F252	V224-P273 HydrophobicContact CG1-CG 3.83Å; V226-P273 HydrophobicContact CG1-CB 3.96Å; F242-P273 HydrophobicContact CE1-CB 3.72Å; F242-P273 HydrophobicContact CE1-CG 4.02Å; F242-P273 HydrophobicContact CZ-CB 3.77Å; F242-P273 HydrophobicContact CZ-CG 4.39Å; Y250-P273 HydrophobicContact CD1-CB 4.31Å; Y250-P273 WeakPolarHBondContact CD1-O 3.38Å; F252-P273 HydrophobicContact CD1-CB 3.64Å; F252-P273 HydrophobicContact CD1-CG 3.85Å; F252-P273 HydrophobicContact CE1-CB 4.01Å; F252-P273 HydrophobicContact CE1-CG 4.09Å; F252-P273 HydrophobicContact CG-CB 4.35Å; F252-P273 HydrophobicContact CG-CG 4.2Å
274	Q	97.2	Very high	94.6	Very high	20 Å²	20	70 Å²	70	9%	0.093	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	142.9	-178.8	-72.1	-176.1	97.1	0	0	112.4	Y250 T251 L262 L266 N269 S272	Y250-Q274 CarbonylContact C-O 3.58Å; Y250-Q274 VanDerWaalsContact CA-O 3.25Å; Y250-Q274 WeakPolarHBondContact CA-O 3.48Å; T251-Q274 PolarHBondContact N-O 3Å; T251-Q274 PolarHBondContact O-N 2.87Å; T251-Q274 VanDerWaalsContact O-N 3.17Å; T251-Q274 PolarHBondContact OG1-O 2.91Å; L262-Q274 HydrophobicContact CD1-CB 3.9Å; L262-Q274 HydrophobicContact CD2-CB 4.23Å; L266-Q274 PolarHBondContact O-NE2 2.84Å; L266-Q274 PolarHBondContact O-OE1 3.09Å; N269-Q274 PolarHBondContact O-NE2 3.32Å; N269-Q274 VanDerWaalsContact O-NE2 3.14Å; S272-Q274 PolarHBondContact O-N 2.91Å; S272-Q274 VanDerWaalsContact O-N 3.07Å
275	R	96.8	Very high	94.9	Very high	110 Å²	110	65.5 Å²	65.5	42%	0.415	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	127.8	-177.4	179.8	-179.1	174.1	155	6.3	111.7	E248 L249 Y250 L277	E248-R275 IonicContact OE1-CZ 2.68Å; E248-R275 VanDerWaalsContact OE1-CZ 3.29Å; E248-R275 IonicContact OE1-NH1 3.57Å; E248-R275 PolarHBondContact OE1-NH1 3.05Å; E248-R275 IonicContact OE1-NH2 2.73Å; E248-R275 PolarHBondContact OE1-NH2 2.84Å; L249-R275 WeakPolarHBondContact O-CA 3.33Å; Y250-R275 HydrophobicContact CD1-CB 4.25Å; Y250-R275 HydrophobicContact CE1-CB 3.9Å; Y250-R275 HydrophobicContact CE2-CB 4.39Å; R275-L277 HydrophobicContact CG-CD2 4.09Å; R275-L277 PolarHBondContact O-N 2.82Å
276	V	96.7	Very high	95.2	Very high	4 Å²	4	58.6 Å²	58.6	2%	0.024	30%	0.302	C	S	.	.			trans	-77.5	110.6	170.1	177.9	0	0	0	0	109.4	L249 T251 L260 L262 I279 P324	L249-V276 HydrophobicContact CB-CB 4.33Å; L249-V276 HydrophobicContact CD2-CB 3.97Å; L249-V276 HydrophobicContact CD2-CG1 4.27Å; L249-V276 HydrophobicContact CD2-CG2 3.91Å; L249-V276 HydrophobicContact CG-CB 4.16Å; L249-V276 HydrophobicContact CG-CG2 4.02Å; L249-V276 PolarHBondContact O-N 2.24Å; T251-V276 HydrophobicContact CG2-CG2 3.62Å; T251-V276 WeakPolarHBondContact OG1-CG2 3.41Å; L260-V276 WeakPolarHBondContact O-CG2 3.22Å; L262-V276 HydrophobicContact CD2-CG2 4.06Å; V276-I279 HydrophobicContact CG1-CG1 4.35Å; V276-P324 HydrophobicContact CG1-CG 3.72Å
277	L	92.8	Very high	95.4	Very high	130 Å²	130	56.2 Å²	56.2	68%	0.681	29%	0.29	S	S	*	.			trans	-86	-12.7	177.1	-64.1	178.4	0	0	0	113.7	R275 I279	R275-L277 HydrophobicContact CG-CD2 4.09Å; R275-L277 PolarHBondContact O-N 2.82Å; L277-I279 PolarHBondContact O-N 3.21Å; L277-I279 VanDerWaalsContact O-N 3.12Å
278	G	89	Confident	95.6	Very high	43 Å²	43	54.5 Å²	54.5	44%	0.443	28%	0.282	S	S	.	.	S	Bend	trans	-72.3	4.8	-179.3	0	0	0	0	0	115.9
279	I	93.9	Very high	95.8	Very high	17 Å²	17	46.8 Å²	46.8	9%	0.087	24%	0.244	C	C	.	.			trans	-125.2	110.5	176.8	-56.7	180	0	0	0	108.1	L249 V276 L277 V283 V295 T297 Y302 P324	L249-I279 HydrophobicContact CD2-CD1 3.9Å; V276-I279 HydrophobicContact CG1-CG1 4.35Å; L277-I279 PolarHBondContact O-N 3.21Å; L277-I279 VanDerWaalsContact O-N 3.12Å; I279-V283 HydrophobicContact CD1-CG2 4.45Å; I279-V283 HydrophobicContact CG2-CG2 3.93Å; I279-V295 HydrophobicContact CD1-CB 4.06Å; I279-V295 HydrophobicContact CD1-CG1 3.83Å; I279-V295 HydrophobicContact CD1-CG2 4.15Å; I279-T297 HydrophobicContact CG2-CG2 3.74Å; I279-Y302 HydrophobicContact CD1-CD2 4.27Å; I279-Y302 HydrophobicContact CD1-CG 4.13Å; I279-Y302 HydrophobicContact CG1-CD1 4.24Å; I279-Y302 HydrophobicContact CG1-CD2 4.35Å; I279-Y302 HydrophobicContact CG1-CE1 4.41Å; I279-Y302 HydrophobicContact CG1-CG 4.22Å; I279-Y302 HydrophobicContact CG2-CD2 4.16Å; I279-Y302 HydrophobicContact CG2-CE2 3.84Å; I279-P324 HydrophobicContact CD1-CB 4.08Å; I279-P324 HydrophobicContact CD1-CG 4.29Å; I279-P324 HydrophobicContact CG1-CB 3.73Å; I279-P324 HydrophobicContact CG1-CG 3.93Å
280	P	90.6	Very high	95.9	Very high	113 Å²	113	42.7 Å²	42.7	73%	0.734	23%	0.225	S	C	*	.			trans	-85.8	-23.3	-177.6	32.8	-33.8	0	0	0	113.6
281	E	93.5	Very high	95.9	Very high	53 Å²	53	42.3 Å²	42.3	25%	0.248	23%	0.226	C	C	.	.	S	Bend	trans	-79.6	158.7	173.6	-62.2	87.4	170.7	0	0	113.2	V283 T297 K299 Y302	E281-V283 PolarHBondContact O-N 2.96Å; E281-T297 HydrophobicContact CB-CG2 4.07Å; E281-K299 HydrophobicContact CG-CD 4.48Å; E281-Y302 PolarHBondContact OE2-OH 3.4Å; E281-Y302 VanDerWaalsContact OE2-OH 3.09Å
282	R	96	Very high	96	Very high	131 Å²	131	39 Å²	39	49%	0.494	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-60.5	124	171	-163.2	-178.1	-171.7	-156.6	-1.5	111.4	M245 D246 T297 E298	M245-R282 PolarHBondContact O-NH2 2.84Å; D246-R282 WeakPolarHBondContact O-CG 3.25Å; D246-R282 PolarHBondContact O-NE 3.08Å; R282-T297 VanDerWaalsContact O-CA 3.29Å; R282-T297 WeakPolarHBondContact O-CA 3.46Å; R282-T297 VanDerWaalsContact O-CB 3.29Å; R282-T297 WeakPolarHBondContact O-CB 3.23Å; R282-E298 HydrophobicContact CB-CG 4.4Å; R282-E298 WeakPolarHBondContact CD-OE1 3.41Å; R282-E298 IonicContact NH1-OE1 2.61Å; R282-E298 PolarHBondContact O-N 2.73Å
283	V	97.8	Very high	96.1	Very high	5 Å²	5	37.1 Å²	37.1	3%	0.03	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	143.2	174.7	177.2	0	0	0	0	110.2	V243 G247 L249 I279 E281 V295 T297	V243-V283 HydrophobicContact CB-CG1 4.41Å; V243-V283 HydrophobicContact CG1-CB 3.95Å; V243-V283 HydrophobicContact CG1-CG1 3.78Å; V243-V283 WeakPolarHBondContact CG1-O 3.32Å; V243-V283 HydrophobicContact CG2-CG1 3.64Å; G247-V283 WeakPolarHBondContact CA-O 3.22Å; G247-V283 WeakPolarHBondContact O-CB 3.27Å; G247-V283 PolarHBondContact O-N 2.9Å; L249-V283 HydrophobicContact CB-CG2 4.15Å; I279-V283 HydrophobicContact CD1-CG2 4.45Å; I279-V283 HydrophobicContact CG2-CG2 3.93Å; E281-V283 PolarHBondContact O-N 2.96Å; V283-V295 HydrophobicContact CB-CG1 4.22Å; V283-V295 HydrophobicContact CG1-CG1 3.4Å; V283-V295 HydrophobicContact CG2-CG1 3.76Å; V283-T297 HydrophobicContact CG2-CG2 4.22Å
284	I	97.3	Very high	96.2	Very high	73 Å²	73	36 Å²	36	37%	0.374	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	-44.3	-179.2	-50.3	178.5	0	0	0	111.2	L296 E298	I284-L296 PolarHBondContact N-O 2.89Å; I284-E298 HydrophobicContact CD1-CB 4.45Å; I284-E298 HydrophobicContact CD1-CG 3.94Å; I284-E298 HydrophobicContact CG1-CG 4.35Å
285	Q	98.1	Very high	96.2	Very high	17 Å²	17	35 Å²	35	8%	0.079	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	150.3	-178.9	-58.2	171.5	9.8	0	0	110.2	W232 L296 C336 I338	W232-Q285 HydrophobicContact CD2-CB 4.28Å; W232-Q285 HydrophobicContact CD2-CG 4.01Å; W232-Q285 HydrophobicContact CE3-CG 4.13Å; W232-Q285 HydrophobicContact CH2-CG 3.92Å; W232-Q285 HydrophobicContact CZ2-CB 4.24Å; W232-Q285 HydrophobicContact CZ2-CG 3.78Å; W232-Q285 HydrophobicContact CZ3-CG 4.09Å; Q285-L296 HydrophobicContact CB-CB 4.13Å; Q285-L296 HydrophobicContact CB-CD2 4.49Å; Q285-L296 HydrophobicContact CG-CD2 4.31Å; Q285-L296 PolarHBondContact N-O 2.96Å; Q285-L296 PolarHBondContact O-N 3.24Å; Q285-C336 PolarHBondContact NE2-O 3.41Å; Q285-I338 HydrophobicContact CB-CD1 4.13Å; Q285-I338 HydrophobicContact CB-CG1 4.04Å
286	V	98.5	Very high	96.3	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.012	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	145.5	166.6	62.4	0	0	0	0	109.6	W232 S234 A241 V243 L249 T293 V294 V295	W232-V286 PolarHBondContact NE1-O 3.05Å; S234-V286 WeakPolarHBondContact CB-O 3.42Å; A241-V286 HydrophobicContact CB-CB 4.42Å; A241-V286 HydrophobicContact CB-CG1 3.95Å; A241-V286 HydrophobicContact CB-CG2 3.67Å; A241-V286 WeakPolarHBondContact O-CG1 3.26Å; V243-V286 HydrophobicContact CG2-CB 4.21Å; V243-V286 HydrophobicContact CG2-CG1 3.88Å; L249-V286 HydrophobicContact CD1-CB 4.02Å; L249-V286 HydrophobicContact CD1-CG1 4.3Å; L249-V286 HydrophobicContact CD1-CG2 4.01Å; V286-T293 HydrophobicContact CG2-CG2 3.71Å; V286-V294 WeakPolarHBondContact CA-O 3.27Å; V286-V295 HydrophobicContact CG2-CG2 4.11Å
287	A	98.5	Very high	96.3	Very high	7 Å²	7	30.1 Å²	30.1	6%	0.058	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	119.6	171.2	0	0	0	0	0	109.9	V294 I338 C340	A287-V294 PolarHBondContact N-O 3.05Å; A287-V294 PolarHBondContact O-N 2.82Å; A287-I338 HydrophobicContact CB-CD1 3.92Å; A287-I338 HydrophobicContact CB-CG1 3.95Å; A287-C340 HydrophobicContact CB-CB 3.96Å; A287-C340 PolarHBondContact O-SG 3.01Å; A287-C340 VanDerWaalsContact O-SG 3.32Å
288	C	98.3	Very high	96.1	Very high	7 Å²	7	29.4 Å²	29.4	5%	0.047	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	132.7	177.9	-63.8	0	0	0	0	110	S234 G236 A241	S234-C288 PolarHBondContact OG-N 2.91Å; G236-C288 VanDerWaalsContact CA-CB 3.49Å; A241-C288 VanDerWaalsContact CB-SG 3.55Å
289	G	97.4	Very high	95.9	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.01	17%	0.173	C	C	.	.			trans	-101	-146.3	175.2	0	0	0	0	0	112.3	G236 Y237 H292 G341	G236-G289 CarbonylContact C-O 3.37Å; G236-G289 WeakPolarHBondContact CA-O 3.24Å; Y237-G289 PolarHBondContact N-O 3.46Å; G289-H292 PolarHBondContact N-O 2.82Å; G289-G341 VanDerWaalsContact CA-O 3.22Å; G289-G341 WeakPolarHBondContact CA-O 3.42Å
290	G	95.8	Very high	96	Very high	10 Å²	10	33.9 Å²	33.9	10%	0.103	17%	0.172	C	C	.	.	S	Bend	trans	-73.1	-67.3	174.2	0	0	0	0	0	111.4	E342	G290-E342 WeakPolarHBondContact CA-O 3.49Å; G290-E342 PolarHBondContact N-O 3.42Å
291	G	96.2	Very high	96.3	Very high	13 Å²	13	28.7 Å²	28.7	13%	0.134	14%	0.138	C	C	.	.	S	Bend	trans	-114.9	14	179.1	0	0	0	0	0	114.4	K259 L306	K259-G291 WeakPolarHBondContact CB-O 3.32Å; G291-L306 WeakPolarHBondContact O-CB 3.19Å; G291-L306 PolarHBondContact O-N 2.5Å
292	H	98.3	Very high	96.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	162	-175.6	73.5	-68	0	0	0	113.1	H239 G289 F304 Q311 L312 C340 G341 E342 N343 H344 T345	H239-H292 PolarHBondContact NE2-O 2.81Å; G289-H292 PolarHBondContact N-O 2.82Å; H292-F304 WeakPolarHBondContact CA-O 3.21Å; H292-Q311 HydrophobicContact CB-CG 4.12Å; H292-L312 HydrophobicContact CB-CD2 4.08Å; H292-C340 PolarHBondContact NE2-SG 3.12Å; H292-G341 VanDerWaalsContact CE1-C 3.49Å; H292-G341 PolarHBondContact CE1-O 3.35Å; H292-E342 PolarHBondContact CE1-O 2.47Å; H292-N343 PolarHBondContact CE1-N 3.24Å; H292-H344 PolarHBondContact CE1-N 2.76Å; H292-H344 PolarHBondContact CE1-O 2.85Å; H292-H344 PolarHBondContact NE2-O 2.94Å; H292-T345 WeakPolarHBondContact NE2-CB 3.41Å; H292-T345 PolarHBondContact NE2-OG1 3.26Å
293	T	98.6	Very high	96.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	138.7	177.9	-57	0	0	0	0	109.4	H239 K259 V286 V295 A303 F304	H239-T293 PolarHBondContact CD2-OG1 2.35Å; H239-T293 PolarHBondContact NE2-OG1 3.09Å; K259-T293 PolarHBondContact O-OG1 3.36Å; V286-T293 HydrophobicContact CG2-CG2 3.71Å; T293-V295 HydrophobicContact CG2-CG2 4.19Å; T293-A303 WeakPolarHBondContact O-CA 3.25Å; T293-F304 VanDerWaalsContact CB-CE2 3.46Å; T293-F304 HydrophobicContact CG2-CD2 4.49Å; T293-F304 HydrophobicContact CG2-CE1 4.17Å; T293-F304 HydrophobicContact CG2-CE2 3.68Å; T293-F304 HydrophobicContact CG2-CZ 3.5Å; T293-F304 VanDerWaalsContact CG2-CZ 3.5Å; T293-F304 PolarHBondContact N-O 3.3Å; T293-F304 PolarHBondContact O-N 3.5Å
294	V	98.4	Very high	96.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	136.8	178.4	-179.7	0	0	0	0	108.5	V286 A287 V301 Y302 A303 I338 C340 T345 L347	V286-V294 WeakPolarHBondContact CA-O 3.27Å; A287-V294 PolarHBondContact N-O 3.05Å; A287-V294 PolarHBondContact O-N 2.82Å; V294-V301 HydrophobicContact CG1-CG1 3.57Å; V294-Y302 WeakPolarHBondContact CA-O 3.17Å; V294-A303 HydrophobicContact CG2-CB 4.37Å; V294-I338 HydrophobicContact CG1-CD1 4.2Å; V294-I338 VanDerWaalsContact O-CD1 3.3Å; V294-I338 WeakPolarHBondContact O-CD1 3.05Å; V294-C340 VanDerWaalsContact CG2-SG 3.54Å; V294-T345 HydrophobicContact CG1-CG2 4.29Å; V294-T345 HydrophobicContact CG2-CG2 3.88Å; V294-L347 HydrophobicContact CG1-CD2 4.39Å
295	V	98.4	Very high	96.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	133.3	-171.7	-174.8	0	0	0	0	109.8	L249 I279 V283 V286 T293 V301 Y302 F304	L249-V295 HydrophobicContact CD2-CG1 4.16Å; L249-V295 HydrophobicContact CD2-CG2 3.62Å; I279-V295 HydrophobicContact CD1-CB 4.06Å; I279-V295 HydrophobicContact CD1-CG1 3.83Å; I279-V295 HydrophobicContact CD1-CG2 4.15Å; V283-V295 HydrophobicContact CB-CG1 4.22Å; V283-V295 HydrophobicContact CG1-CG1 3.4Å; V283-V295 HydrophobicContact CG2-CG1 3.76Å; V286-V295 HydrophobicContact CG2-CG2 4.11Å; T293-V295 HydrophobicContact CG2-CG2 4.19Å; V295-V301 CarbonylContact O-C 3.6Å; V295-V301 WeakPolarHBondContact O-CA 3.38Å; V295-Y302 PolarHBondContact N-O 2.41Å; V295-Y302 PolarHBondContact O-N 3.4Å; V295-F304 HydrophobicContact CG2-CE1 3.61Å; V295-F304 HydrophobicContact CG2-CZ 4Å
296	L	97.9	Very high	96.6	Very high	7 Å²	7	17.5 Å²	17.5	4%	0.037	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	123.2	176.1	179.5	63.2	0	0	0	109.9	I284 Q285 V301 I335 I338	I284-L296 PolarHBondContact N-O 2.89Å; Q285-L296 HydrophobicContact CB-CB 4.13Å; Q285-L296 HydrophobicContact CB-CD2 4.49Å; Q285-L296 HydrophobicContact CG-CD2 4.31Å; Q285-L296 PolarHBondContact N-O 2.96Å; Q285-L296 PolarHBondContact O-N 3.24Å; L296-V301 HydrophobicContact CD1-CG2 3.94Å; L296-I335 HydrophobicContact CD1-CB 3.82Å; L296-I335 HydrophobicContact CD1-CG2 3.96Å; L296-I335 HydrophobicContact CD2-CG2 4.47Å; L296-I338 HydrophobicContact CB-CD1 4.14Å; L296-I338 HydrophobicContact CB-CG2 3.99Å; L296-I338 HydrophobicContact CD2-CG2 4.36Å
297	T	96.2	Very high	96.5	Very high	4 Å²	4	17.5 Å²	17.5	3%	0.025	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	178.7	168	71.9	0	0	0	0	110.6	I279 E281 R282 V283 K299 V300 Y302	I279-T297 HydrophobicContact CG2-CG2 3.74Å; E281-T297 HydrophobicContact CB-CG2 4.07Å; R282-T297 VanDerWaalsContact O-CA 3.29Å; R282-T297 WeakPolarHBondContact O-CA 3.46Å; R282-T297 VanDerWaalsContact O-CB 3.29Å; R282-T297 WeakPolarHBondContact O-CB 3.23Å; V283-T297 HydrophobicContact CG2-CG2 4.22Å; T297-K299 PolarHBondContact O-N 3.31Å; T297-K299 PolarHBondContact OG1-N 2.14Å; T297-V300 PolarHBondContact N-O 3.41Å; T297-V300 WeakPolarHBondContact OG1-CG2 3.46Å; T297-V300 PolarHBondContact OG1-N 3.09Å; T297-V300 VanDerWaalsContact OG1-N 3.08Å; T297-V300 PolarHBondContact OG1-O 3.23Å; T297-V300 VanDerWaalsContact OG1-O 3.06Å; T297-Y302 HydrophobicContact CG2-CD2 3.96Å; T297-Y302 HydrophobicContact CG2-CE2 3.9Å
298	E	89.1	Confident	96.4	Very high	115 Å²	115	21.9 Å²	21.9	54%	0.537	11%	0.109	S	C	.	.	S	Bend	trans	-57.9	-12.9	173	-65.9	178	174.9	0	0	114.9	R282 I284	R282-E298 HydrophobicContact CB-CG 4.4Å; R282-E298 WeakPolarHBondContact CD-OE1 3.41Å; R282-E298 IonicContact NH1-OE1 2.61Å; R282-E298 PolarHBondContact O-N 2.73Å; I284-E298 HydrophobicContact CD1-CB 4.45Å; I284-E298 HydrophobicContact CD1-CG 3.94Å; I284-E298 HydrophobicContact CG1-CG 4.35Å
299	K	85.4	Confident	96.3	Very high	141 Å²	141	23.7 Å²	23.7	61%	0.613	12%	0.116	S	C	*	.	S	Bend	trans	-134.6	-33.9	-171.4	-61.1	173.8	-168.7	160.6	0	114.8	E281 T297	E281-K299 HydrophobicContact CG-CD 4.48Å; T297-K299 PolarHBondContact O-N 3.31Å; T297-K299 PolarHBondContact OG1-N 2.14Å
300	V	94.9	Very high	96.3	Very high	13 Å²	13	23.8 Å²	23.8	8%	0.079	12%	0.117	C	C	.	.			trans	-144.1	159.5	-167.2	-71.3	0	0	0	0	112	T297 Y302 I326 K331	T297-V300 PolarHBondContact N-O 3.41Å; T297-V300 WeakPolarHBondContact OG1-CG2 3.46Å; T297-V300 PolarHBondContact OG1-N 3.09Å; T297-V300 VanDerWaalsContact OG1-N 3.08Å; T297-V300 PolarHBondContact OG1-O 3.23Å; T297-V300 VanDerWaalsContact OG1-O 3.06Å; V300-Y302 HydrophobicContact CG2-CD2 4.01Å; V300-Y302 HydrophobicContact CG2-CE2 3.41Å; V300-Y302 VanDerWaalsContact CG2-CE2 3.41Å; V300-I326 HydrophobicContact CB-CG2 4.16Å; V300-I326 HydrophobicContact CG1-CG2 4.12Å; V300-K331 HydrophobicContact CG1-CG 4.16Å
301	V	97.4	Very high	96.4	Very high	4 Å²	4	23.3 Å²	23.3	2%	0.024	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	128.6	169.3	-177.2	0	0	0	0	109.2	V294 V295 L296 I327 I330 I335 L347	V294-V301 HydrophobicContact CG1-CG1 3.57Å; V295-V301 CarbonylContact O-C 3.6Å; V295-V301 WeakPolarHBondContact O-CA 3.38Å; L296-V301 HydrophobicContact CD1-CG2 3.94Å; V301-I327 HydrophobicContact CB-CD1 4.27Å; V301-I327 HydrophobicContact CG1-CD1 3.71Å; V301-I327 HydrophobicContact CG1-CG1 4.37Å; V301-I327 PolarHBondContact O-N 2.91Å; V301-I330 HydrophobicContact CB-CD1 4.18Å; V301-I330 HydrophobicContact CG2-CD1 4.14Å; V301-I335 HydrophobicContact CG2-CB 4.04Å; V301-I335 HydrophobicContact CG2-CG1 3.74Å; V301-I335 HydrophobicContact CG2-CG2 4.19Å; V301-L347 HydrophobicContact CG1-CD2 4.38Å; V301-L347 HydrophobicContact CG2-CD1 4.46Å
302	Y	97.8	Very high	96.4	Very high	14 Å²	14	22.7 Å²	22.7	6%	0.055	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	149.9	169.8	-72.4	-98.2	0	0	0	110.4	I279 E281 V294 V295 T297 V300 P324 K325 I326	I279-Y302 HydrophobicContact CD1-CD2 4.27Å; I279-Y302 HydrophobicContact CD1-CG 4.13Å; I279-Y302 HydrophobicContact CG1-CD1 4.24Å; I279-Y302 HydrophobicContact CG1-CD2 4.35Å; I279-Y302 HydrophobicContact CG1-CE1 4.41Å; I279-Y302 HydrophobicContact CG1-CG 4.22Å; I279-Y302 HydrophobicContact CG2-CD2 4.16Å; I279-Y302 HydrophobicContact CG2-CE2 3.84Å; E281-Y302 PolarHBondContact OE2-OH 3.4Å; E281-Y302 VanDerWaalsContact OE2-OH 3.09Å; V294-Y302 WeakPolarHBondContact CA-O 3.17Å; V295-Y302 PolarHBondContact N-O 2.41Å; V295-Y302 PolarHBondContact O-N 3.4Å; T297-Y302 HydrophobicContact CG2-CD2 3.96Å; T297-Y302 HydrophobicContact CG2-CE2 3.9Å; V300-Y302 HydrophobicContact CG2-CD2 4.01Å; V300-Y302 HydrophobicContact CG2-CE2 3.41Å; V300-Y302 VanDerWaalsContact CG2-CE2 3.41Å; Y302-P324 HydrophobicContact CD1-CB 3.7Å; Y302-P324 HydrophobicContact CE1-CB 4.42Å; Y302-P324 HydrophobicContact CG-CB 4.33Å; Y302-K325 CarbonylContact C-O 3.46Å; Y302-K325 WeakPolarHBondContact CA-O 3.19Å; Y302-I326 HydrophobicContact CD1-CG1 3.96Å; Y302-I326 HydrophobicContact CE1-CD1 4.23Å; Y302-I326 HydrophobicContact CE1-CG1 3.44Å; Y302-I326 VanDerWaalsContact CE1-CG1 3.44Å; Y302-I326 HydrophobicContact CE2-CG1 4.23Å
303	A	97.9	Very high	96.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	146.9	168.2	0	0	0	0	0	111.5	T293 V294 L312 K325 I327	T293-A303 WeakPolarHBondContact O-CA 3.25Å; V294-A303 HydrophobicContact CG2-CB 4.37Å; A303-L312 HydrophobicContact CB-CB 4.13Å; A303-L312 HydrophobicContact CB-CD2 4.04Å; A303-L312 WeakPolarHBondContact CB-O 3.13Å; A303-K325 PolarHBondContact N-O 2.89Å; A303-K325 PolarHBondContact O-N 3.5Å; A303-I327 HydrophobicContact CB-CD1 4.13Å; A303-I327 HydrophobicContact CB-CG1 4.28Å
304	F	98.1	Very high	96.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	167.6	174.3	48.9	-85.9	0	0	0	111.9	L249 K259 G261 H292 T293 V295 L312 T321 P324	L249-F304 HydrophobicContact CD2-CE1 4.47Å; L249-F304 HydrophobicContact CD2-CZ 4.11Å; K259-F304 WeakPolarHBondContact O-CD2 3.22Å; K259-F304 VanDerWaalsContact O-CE2 3.23Å; K259-F304 WeakPolarHBondContact O-CE2 3.4Å; G261-F304 VanDerWaalsContact CA-CE2 3.47Å; G261-F304 VanDerWaalsContact N-CD2 3.25Å; G261-F304 VanDerWaalsContact N-CE2 3.32Å; H292-F304 WeakPolarHBondContact CA-O 3.21Å; T293-F304 VanDerWaalsContact CB-CE2 3.46Å; T293-F304 HydrophobicContact CG2-CD2 4.49Å; T293-F304 HydrophobicContact CG2-CE1 4.17Å; T293-F304 HydrophobicContact CG2-CE2 3.68Å; T293-F304 HydrophobicContact CG2-CZ 3.5Å; T293-F304 VanDerWaalsContact CG2-CZ 3.5Å; T293-F304 PolarHBondContact N-O 3.3Å; T293-F304 PolarHBondContact O-N 3.5Å; V295-F304 HydrophobicContact CG2-CE1 3.61Å; V295-F304 HydrophobicContact CG2-CZ 4Å; F304-L312 WeakPolarHBondContact O-CD2 3.21Å; F304-T321 HydrophobicContact CB-CG2 4.16Å; F304-T321 WeakPolarHBondContact CB-O 3.48Å; F304-P324 HydrophobicContact CD1-CB 3.71Å; F304-P324 HydrophobicContact CD1-CG 3.76Å; F304-P324 HydrophobicContact CE1-CB 4.05Å; F304-P324 HydrophobicContact CE1-CG 3.87Å; F304-P324 HydrophobicContact CG-CG 4.37Å
305	G	97.8	Very high	96	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	95.9	-155.3	-168.9	0	0	0	0	0	113.9	N257 K259 L312 E320 T321	N257-G305 CarbonylContact O-C 2.98Å; N257-G305 VanDerWaalsContact O-C 3.24Å; N257-G305 WeakPolarHBondContact O-CA 3.3Å; K259-G305 VanDerWaalsContact CA-CA 3.49Å; G305-L312 WeakPolarHBondContact O-CD1 3.25Å; G305-E320 WeakPolarHBondContact O-CA 3.39Å; G305-T321 PolarHBondContact N-O 3.36Å; G305-T321 PolarHBondContact O-N 2.88Å; G305-T321 VanDerWaalsContact O-N 3.07Å
306	L	97.9	Very high	95.8	Very high	30 Å²	30	27.9 Å²	27.9	16%	0.157	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	131.7	-178.1	-166.7	62.3	0	0	0	112.9	N257 G291 Q308 Q311 E320	N257-L306 HydrophobicContact CB-CB 4Å; G291-L306 WeakPolarHBondContact O-CB 3.19Å; G291-L306 PolarHBondContact O-N 2.5Å; L306-Q308 HydrophobicContact CD1-CB 4.45Å; L306-Q308 HydrophobicContact CD2-CG 4.05Å; L306-Q308 HydrophobicContact CG-CB 4.41Å; L306-Q308 HydrophobicContact CG-CG 4.09Å; L306-Q311 VanDerWaalsContact O-CG 3.22Å; L306-Q311 WeakPolarHBondContact O-CG 3.38Å; L306-Q311 PolarHBondContact O-NE2 3.06Å; L306-E320 HydrophobicContact CD1-CG 4.46Å
307	G	96.8	Very high	95.6	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.01	18%	0.176	C	C	.	.			trans	-125.5	20.8	-176.9	0	0	0	0	0	114.9	F309 G310 Q311 F319	G307-F309 PolarHBondContact O-N 2.89Å; G307-G310 WeakPolarHBondContact O-CA 3.43Å; G307-G310 PolarHBondContact O-N 3.25Å; G307-Q311 VanDerWaalsContact C-OE1 3.26Å; G307-F319 CarbonylContact C-O 3.56Å; G307-F319 WeakPolarHBondContact CA-O 3.34Å; G307-F319 PolarHBondContact N-O 3.08Å
308	Q	96	Very high	95.4	Very high	100 Å²	100	39.6 Å²	39.6	47%	0.467	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-24.9	-175.4	63.9	174.7	-21.9	0	0	115.2	L306 F319	L306-Q308 HydrophobicContact CD1-CB 4.45Å; L306-Q308 HydrophobicContact CD2-CG 4.05Å; L306-Q308 HydrophobicContact CG-CB 4.41Å; L306-Q308 HydrophobicContact CG-CG 4.09Å; Q308-F319 PolarHBondContact N-O 2.79Å
309	F	96.7	Very high	95.7	Very high	44 Å²	44	38.6 Å²	38.6	19%	0.193	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	2.6	174.7	-50.3	-51.6	0	0	0	113.3	G307 N343 G358 D359 N374	G307-F309 PolarHBondContact O-N 2.89Å; F309-N343 HydrophobicContact CD2-CB 3.89Å; F309-N343 VanDerWaalsContact CD2-OD1 3.27Å; F309-N343 WeakPolarHBondContact CD2-OD1 3.17Å; F309-N343 HydrophobicContact CE2-CB 4.31Å; F309-N343 VanDerWaalsContact CE2-OD1 3.32Å; F309-N343 WeakPolarHBondContact CE2-OD1 3.42Å; F309-G358 CarbonylContact O-C 3.47Å; F309-G358 VanDerWaalsContact O-CA 3.25Å; F309-G358 WeakPolarHBondContact O-CA 3.27Å; F309-D359 HydrophobicContact CB-CB 3.88Å; F309-D359 HydrophobicContact CD2-CB 4.2Å; F309-D359 HydrophobicContact CG-CB 4.17Å; F309-N374 WeakPolarHBondContact O-CB 3.43Å
310	G	96.6	Very high	96.2	Very high	3 Å²	3	36.5 Å²	36.5	3%	0.031	18%	0.178	C	C	.	.	S	Bend	trans	96.2	6.9	-179.7	0	0	0	0	0	115.2	G307 L312 G313 F376	G307-G310 WeakPolarHBondContact O-CA 3.43Å; G307-G310 PolarHBondContact O-N 3.25Å; G310-L312 PolarHBondContact O-N 3.17Å; G310-L312 VanDerWaalsContact O-N 3.08Å; G310-G313 PolarHBondContact O-N 2.71Å; G310-F376 VanDerWaalsContact N-CE1 3.34Å
311	Q	97.7	Very high	96.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-11.1	-171.1	62.4	-95.4	52.3	0	0	115.2	H292 L306 G307 N343 T345 F357	H292-Q311 HydrophobicContact CB-CG 4.12Å; L306-Q311 VanDerWaalsContact O-CG 3.22Å; L306-Q311 WeakPolarHBondContact O-CG 3.38Å; L306-Q311 PolarHBondContact O-NE2 3.06Å; G307-Q311 VanDerWaalsContact C-OE1 3.26Å; Q311-N343 PolarHBondContact NE2-OD1 2.89Å; Q311-T345 PolarHBondContact O-OG1 3.41Å; Q311-F357 WeakPolarHBondContact O-CD2 3.43Å; Q311-F357 WeakPolarHBondContact O-CE2 3.32Å
312	L	97.4	Very high	96.2	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-22.7	170.6	-56.1	173.1	0	0	0	113.2	H292 A303 F304 G305 G310 L314 T321 I327	H292-L312 HydrophobicContact CB-CD2 4.08Å; A303-L312 HydrophobicContact CB-CB 4.13Å; A303-L312 HydrophobicContact CB-CD2 4.04Å; A303-L312 WeakPolarHBondContact CB-O 3.13Å; F304-L312 WeakPolarHBondContact O-CD2 3.21Å; G305-L312 WeakPolarHBondContact O-CD1 3.25Å; G310-L312 PolarHBondContact O-N 3.17Å; G310-L312 VanDerWaalsContact O-N 3.08Å; L312-L314 HydrophobicContact CB-CB 4.44Å; L312-L314 HydrophobicContact CB-CD1 4.01Å; L312-L314 HydrophobicContact CB-CG 3.91Å; L312-L314 HydrophobicContact CD1-CD1 4.29Å; L312-L314 PolarHBondContact O-N 2.81Å; L312-T321 HydrophobicContact CD1-CG2 4.34Å; L312-I327 WeakPolarHBondContact O-CD1 3.23Å
313	G	96.8	Very high	96.1	Very high	3 Å²	3	43.6 Å²	43.6	3%	0.031	22%	0.216	C	C	.	.			trans	73.5	2.2	-177.2	0	0	0	0	0	115.6	G310 G315 F357 F376	G310-G313 PolarHBondContact O-N 2.71Å; G313-G315 VanDerWaalsContact C-N 3.27Å; G313-G315 PolarHBondContact O-N 2.94Å; G313-F357 VanDerWaalsContact CA-CD2 3.47Å; G313-F357 VanDerWaalsContact N-CD2 3.31Å; G313-F376 CarbonylContact C-O 3.59Å; G313-F376 WeakPolarHBondContact CA-O 3.15Å
314	L	96.2	Very high	96	Very high	36 Å²	36	44.3 Å²	44.3	19%	0.188	22%	0.221	C	C	.	.	S	Bend	trans	-81.4	7.2	-174	-55.6	175.8	0	0	0	114.6	L312 L318 T321 K325 I326 I327	L312-L314 HydrophobicContact CB-CB 4.44Å; L312-L314 HydrophobicContact CB-CD1 4.01Å; L312-L314 HydrophobicContact CB-CG 3.91Å; L312-L314 HydrophobicContact CD1-CD1 4.29Å; L312-L314 PolarHBondContact O-N 2.81Å; L314-L318 HydrophobicContact CB-CB 4.41Å; L314-L318 HydrophobicContact CB-CD2 4.07Å; L314-L318 HydrophobicContact CD1-CD2 3.73Å; L314-T321 HydrophobicContact CD1-CG2 3.92Å; L314-K325 HydrophobicContact CD1-CB 3.8Å; L314-K325 HydrophobicContact CD2-CB 4.28Å; L314-I326 WeakPolarHBondContact CD2-O 3.31Å; L314-I327 HydrophobicContact CD2-CG1 4.07Å
315	G	93.6	Very high	96	Very high	5 Å²	5	47.8 Å²	47.8	5%	0.052	24%	0.236	C	C	.	.			trans	97.7	177.5	173.5	0	0	0	0	0	115.9	G313 F317 F376 F377	G313-G315 VanDerWaalsContact C-N 3.27Å; G313-G315 PolarHBondContact O-N 2.94Å; G315-F317 PolarHBondContact O-N 2.95Å; G315-F376 WeakPolarHBondContact CA-O 2.94Å; G315-F376 PolarHBondContact N-O 2.85Å; G315-F377 VanDerWaalsContact CA-CZ 3.44Å
316	T	94.4	Very high	95.9	Very high	64 Å²	64	50 Å²	50	39%	0.393	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	19.8	-167.6	56.3	0	0	0	0	115.2	F319 F376 F377	T316-F319 VanDerWaalsContact O-CZ 3.25Å; T316-F319 WeakPolarHBondContact O-CZ 3.39Å; T316-F376 HydrophobicContact CG2-CB 3.75Å; T316-F376 HydrophobicContact CG2-CD2 4.12Å; T316-F376 HydrophobicContact CG2-CG 4Å; T316-F377 HydrophobicContact CG2-CE2 4.13Å
317	F	92.7	Very high	95.8	Very high	191 Å²	191	48.7 Å²	48.7	84%	0.838	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-136.8	-17.2	-176.4	-63.4	-75.1	0	0	0	113.7	G315	G315-F317 PolarHBondContact O-N 2.95Å
318	L	93.5	Very high	95.6	Very high	66 Å²	66	53.6 Å²	53.6	35%	0.346	26%	0.264	S	S	.	.			trans	-114.7	94.5	179.3	-172.2	64.8	0	0	0	108.8	L314 E320 K325	L314-L318 HydrophobicContact CB-CB 4.41Å; L314-L318 HydrophobicContact CB-CD2 4.07Å; L314-L318 HydrophobicContact CD1-CD2 3.73Å; L318-E320 WeakPolarHBondContact CD1-O 3.42Å; L318-K325 HydrophobicContact CD2-CD 3.91Å
319	F	94.8	Very high	95.4	Very high	95 Å²	95	55.6 Å²	55.6	42%	0.417	27%	0.267	S	S	.	.			trans	-95.6	1.3	-175.8	-53.2	-61.9	0	0	0	113.6	G307 Q308 T316 F376	G307-F319 CarbonylContact C-O 3.56Å; G307-F319 WeakPolarHBondContact CA-O 3.34Å; G307-F319 PolarHBondContact N-O 3.08Å; Q308-F319 PolarHBondContact N-O 2.79Å; T316-F319 VanDerWaalsContact O-CZ 3.25Å; T316-F319 WeakPolarHBondContact O-CZ 3.39Å; F319-F376 HydrophobicContact CD1-CD1 4.1Å; F319-F376 AromaticContact CD1-CE1 3.72Å; F319-F376 HydrophobicContact CD1-CE1 3.72Å; F319-F376 AromaticContact CE1-CD1 3.81Å; F319-F376 HydrophobicContact CE1-CD1 3.81Å; F319-F376 AromaticContact CE1-CE1 3.48Å; F319-F376 HydrophobicContact CE1-CE1 3.48Å; F319-F376 VanDerWaalsContact CE1-CE1 3.48Å; F319-F376 HydrophobicContact CE1-CZ 4.27Å
320	E	95.6	Very high	95.2	Very high	96 Å²	96	53.9 Å²	53.9	45%	0.449	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	150	177.2	-164.1	178.6	154	0	0	109.1	N257 G305 L306 L318	N257-E320 WeakPolarHBondContact CA-OE1 3.43Å; G305-E320 WeakPolarHBondContact O-CA 3.39Å; L306-E320 HydrophobicContact CD1-CG 4.46Å; L318-E320 WeakPolarHBondContact CD1-O 3.42Å
321	T	96.4	Very high	94.8	Very high	6 Å²	6	58 Å²	58	4%	0.037	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	127.3	164.2	-179	0	0	0	0	111	F304 G305 L312 L314 E323 K325	F304-T321 HydrophobicContact CB-CG2 4.16Å; F304-T321 WeakPolarHBondContact CB-O 3.48Å; G305-T321 PolarHBondContact N-O 3.36Å; G305-T321 PolarHBondContact O-N 2.88Å; G305-T321 VanDerWaalsContact O-N 3.07Å; L312-T321 HydrophobicContact CD1-CG2 4.34Å; L314-T321 HydrophobicContact CD1-CG2 3.92Å; T321-E323 WeakPolarHBondContact CG2-O 3.15Å; T321-E323 PolarHBondContact OG1-N 2.62Å; T321-E323 PolarHBondContact OG1-O 2.88Å; T321-K325 HydrophobicContact CG2-CB 4.44Å; T321-K325 HydrophobicContact CG2-CD 4.25Å; T321-K325 HydrophobicContact CG2-CG 4.49Å; T321-K325 WeakPolarHBondContact OG1-CD 3.3Å; T321-K325 PolarHBondContact OG1-NZ 2.97Å
322	S	95.4	Very high	94.3	Very high	52 Å²	52	64.1 Å²	64.1	36%	0.364	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	-26.3	172.7	48.7	0	0	0	0	113.6	G261	G261-S322 CarbonylContact C-O 3.33Å; G261-S322 WeakPolarHBondContact CA-O 3.41Å
323	E	95.1	Very high	94	Very high	122 Å²	122	66.7 Å²	66.7	57%	0.57	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	144.2	176.3	-61.8	171.2	146.2	0	0	111.1	T321 K325	T321-E323 WeakPolarHBondContact CG2-O 3.15Å; T321-E323 PolarHBondContact OG1-N 2.62Å; T321-E323 PolarHBondContact OG1-O 2.88Å; E323-K325 PolarHBondContact O-N 2.89Å; E323-K325 IonicContact OE2-NZ 3.5Å
324	P	97	Very high	93.9	Very high	15 Å²	15	72.9 Å²	72.9	10%	0.097	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	123.2	171.8	-23.4	33.5	0	0	0	112.8	V276 I279 Y302 F304	V276-P324 HydrophobicContact CG1-CG 3.72Å; I279-P324 HydrophobicContact CD1-CB 4.08Å; I279-P324 HydrophobicContact CD1-CG 4.29Å; I279-P324 HydrophobicContact CG1-CB 3.73Å; I279-P324 HydrophobicContact CG1-CG 3.93Å; Y302-P324 HydrophobicContact CD1-CB 3.7Å; Y302-P324 HydrophobicContact CE1-CB 4.42Å; Y302-P324 HydrophobicContact CG-CB 4.33Å; F304-P324 HydrophobicContact CD1-CB 3.71Å; F304-P324 HydrophobicContact CD1-CG 3.76Å; F304-P324 HydrophobicContact CE1-CB 4.05Å; F304-P324 HydrophobicContact CE1-CG 3.87Å; F304-P324 HydrophobicContact CG-CG 4.37Å
325	K	96.8	Very high	93.9	Very high	74 Å²	74	72.1 Å²	72.1	32%	0.322	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	138	178	-75.4	177	177.4	121.4	0	112.7	Y302 A303 L314 L318 T321 E323	Y302-K325 CarbonylContact C-O 3.46Å; Y302-K325 WeakPolarHBondContact CA-O 3.19Å; A303-K325 PolarHBondContact N-O 2.89Å; A303-K325 PolarHBondContact O-N 3.5Å; L314-K325 HydrophobicContact CD1-CB 3.8Å; L314-K325 HydrophobicContact CD2-CB 4.28Å; L318-K325 HydrophobicContact CD2-CD 3.91Å; T321-K325 HydrophobicContact CG2-CB 4.44Å; T321-K325 HydrophobicContact CG2-CD 4.25Å; T321-K325 HydrophobicContact CG2-CG 4.49Å; T321-K325 WeakPolarHBondContact OG1-CD 3.3Å; T321-K325 PolarHBondContact OG1-NZ 2.97Å; E323-K325 PolarHBondContact O-N 2.89Å; E323-K325 IonicContact OE2-NZ 3.5Å
326	I	96.6	Very high	94	Very high	46 Å²	46	74.1 Å²	74.1	24%	0.236	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	133.3	-177.8	-61	174.7	0	0	0	110.3	V300 Y302 L314 E328	V300-I326 HydrophobicContact CB-CG2 4.16Å; V300-I326 HydrophobicContact CG1-CG2 4.12Å; Y302-I326 HydrophobicContact CD1-CG1 3.96Å; Y302-I326 HydrophobicContact CE1-CD1 4.23Å; Y302-I326 HydrophobicContact CE1-CG1 3.44Å; Y302-I326 VanDerWaalsContact CE1-CG1 3.44Å; Y302-I326 HydrophobicContact CE2-CG1 4.23Å; L314-I326 WeakPolarHBondContact CD2-O 3.31Å; I326-E328 VanDerWaalsContact C-N 3.26Å; I326-E328 HydrophobicContact CG2-CG 4.41Å; I326-E328 PolarHBondContact O-N 2.99Å
327	I	96.2	Very high	94.1	Very high	3 Å²	3	73.9 Å²	73.9	2%	0.015	35%	0.35	C	S	.	.			trans	-80.9	74.8	171.8	-46.2	179.9	0	0	0	109.5	V301 A303 L312 L314 R329 I330 F357 P378	V301-I327 HydrophobicContact CB-CD1 4.27Å; V301-I327 HydrophobicContact CG1-CD1 3.71Å; V301-I327 HydrophobicContact CG1-CG1 4.37Å; V301-I327 PolarHBondContact O-N 2.91Å; A303-I327 HydrophobicContact CB-CD1 4.13Å; A303-I327 HydrophobicContact CB-CG1 4.28Å; L312-I327 WeakPolarHBondContact O-CD1 3.23Å; L314-I327 HydrophobicContact CD2-CG1 4.07Å; I327-R329 PolarHBondContact O-N 2.74Å; I327-I330 HydrophobicContact CB-CD1 4.11Å; I327-I330 HydrophobicContact CB-CG1 3.97Å; I327-I330 HydrophobicContact CD1-CD1 4.47Å; I327-I330 HydrophobicContact CG2-CD1 4.07Å; I327-I330 HydrophobicContact CG2-CG1 3.89Å; I327-I330 WeakPolarHBondContact O-CG1 3.35Å; I327-I330 PolarHBondContact O-N 2.97Å; I327-I330 VanDerWaalsContact O-N 3.08Å; I327-F357 HydrophobicContact CD1-CE2 4.08Å; I327-F357 HydrophobicContact CD1-CZ 3.72Å; I327-P378 HydrophobicContact CG2-CG 3.56Å
328	E	92.4	Very high	94.3	Very high	104 Å²	104	65.1 Å²	65.1	49%	0.486	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-47.4	-35.7	-172.4	-72.2	-65.2	158	0	0	114.7	I326 I330 K331	I326-E328 VanDerWaalsContact C-N 3.26Å; I326-E328 HydrophobicContact CG2-CG 4.41Å; I326-E328 PolarHBondContact O-N 2.99Å; E328-I330 PolarHBondContact O-N 3.39Å; E328-K331 VanDerWaalsContact O-CB 3.29Å; E328-K331 WeakPolarHBondContact O-CB 3.37Å; E328-K331 PolarHBondContact O-N 3.41Å; E328-K331 VanDerWaalsContact O-N 3.11Å; E328-K331 IonicContact OE1-NZ 2.69Å; E328-K331 PolarHBondContact OE1-NZ 3.24Å; E328-K331 WeakPolarHBondContact OE2-CD 3.48Å; E328-K331 WeakPolarHBondContact OE2-CE 3.4Å; E328-K331 IonicContact OE2-NZ 2.88Å; E328-K331 PolarHBondContact OE2-NZ 3.34Å
329	R	91.3	Very high	94.5	Very high	142 Å²	142	62.6 Å²	62.6	54%	0.536	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-65.3	-12.1	-176.7	-165.6	171.1	-177.6	172.1	1	115	I327	I327-R329 PolarHBondContact O-N 2.74Å
330	I	92.3	Very high	94.7	Very high	7 Å²	7	58.9 Å²	58.9	4%	0.036	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-121.7	13.1	176.8	56.2	170.4	0	0	0	112.7	V301 I327 E328 D332 Q333 I335 L347 P378	V301-I330 HydrophobicContact CB-CD1 4.18Å; V301-I330 HydrophobicContact CG2-CD1 4.14Å; I327-I330 HydrophobicContact CB-CD1 4.11Å; I327-I330 HydrophobicContact CB-CG1 3.97Å; I327-I330 HydrophobicContact CD1-CD1 4.47Å; I327-I330 HydrophobicContact CG2-CD1 4.07Å; I327-I330 HydrophobicContact CG2-CG1 3.89Å; I327-I330 WeakPolarHBondContact O-CG1 3.35Å; I327-I330 PolarHBondContact O-N 2.97Å; I327-I330 VanDerWaalsContact O-N 3.08Å; E328-I330 PolarHBondContact O-N 3.39Å; I330-D332 PolarHBondContact O-N 3.29Å; I330-Q333 HydrophobicContact CB-CB 4.42Å; I330-Q333 WeakPolarHBondContact O-CB 3.36Å; I330-Q333 PolarHBondContact O-N 2.87Å; I330-I335 HydrophobicContact CD1-CG1 4.44Å; I330-L347 HydrophobicContact CD1-CD1 3.21Å; I330-P378 HydrophobicContact CD1-CG 4.15Å; I330-P378 HydrophobicContact CG1-CG 4.4Å; I330-P378 HydrophobicContact CG2-CB 3.68Å; I330-P378 HydrophobicContact CG2-CG 3.88Å
331	K	89.1	Confident	94.8	Very high	90 Å²	90	54.5 Å²	54.5	39%	0.391	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-32.6	179.8	-178.6	176.4	-107.7	161.3	0	113.2	V300 E328 Q333	V300-K331 HydrophobicContact CG1-CG 4.16Å; E328-K331 VanDerWaalsContact O-CB 3.29Å; E328-K331 WeakPolarHBondContact O-CB 3.37Å; E328-K331 PolarHBondContact O-N 3.41Å; E328-K331 VanDerWaalsContact O-N 3.11Å; E328-K331 IonicContact OE1-NZ 2.69Å; E328-K331 PolarHBondContact OE1-NZ 3.24Å; E328-K331 WeakPolarHBondContact OE2-CD 3.48Å; E328-K331 WeakPolarHBondContact OE2-CE 3.4Å; E328-K331 IonicContact OE2-NZ 2.88Å; E328-K331 PolarHBondContact OE2-NZ 3.34Å; K331-Q333 VanDerWaalsContact C-N 3.31Å
332	D	87.7	Confident	94.8	Very high	129 Å²	129	56.9 Å²	56.9	69%	0.69	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-5	177.5	-49.8	-56.1	0	0	0	113.6	I330	I330-D332 PolarHBondContact O-N 3.29Å
333	Q	90.9	Very high	94.9	Very high	55 Å²	55	55.2 Å²	55.2	26%	0.257	26%	0.264	S	S	.	.	S	Bend	trans	-105.2	118.7	-177.3	-65.5	-64.1	-33.5	0	0	110.6	I330 K331 I335	I330-Q333 HydrophobicContact CB-CB 4.42Å; I330-Q333 WeakPolarHBondContact O-CB 3.36Å; I330-Q333 PolarHBondContact O-N 2.87Å; K331-Q333 VanDerWaalsContact C-N 3.31Å; Q333-I335 HydrophobicContact CB-CD1 4.32Å; Q333-I335 PolarHBondContact O-N 2.91Å; Q333-I335 VanDerWaalsContact O-N 3.07Å
334	K	93.5	Very high	95.1	Very high	132 Å²	132	49.4 Å²	49.4	57%	0.574	24%	0.237	S	C	*	.			trans	-70.8	104.3	175.1	-69.5	-170.3	171.8	-165.9	0	111.7	T349 E350	K334-T349 CarbonylContact O-C 3.58Å; K334-T349 WeakPolarHBondContact O-CA 3.25Å; K334-T349 WeakPolarHBondContact O-CB 3.23Å; K334-E350 HydrophobicContact CB-CG 4.03Å; K334-E350 HydrophobicContact CD-CG 4.26Å; K334-E350 VanDerWaalsContact CD-OE1 3.29Å; K334-E350 WeakPolarHBondContact CD-OE1 3.37Å; K334-E350 WeakPolarHBondContact CD-OE2 3.41Å; K334-E350 VanDerWaalsContact NZ-CD 3.34Å; K334-E350 IonicContact NZ-OE1 3.41Å; K334-E350 PolarHBondContact NZ-OE1 2.85Å; K334-E350 IonicContact NZ-OE2 2.72Å; K334-E350 PolarHBondContact NZ-OE2 2.95Å; K334-E350 PolarHBondContact O-N 2.77Å
335	I	96.2	Very high	95.2	Very high	21 Å²	21	48.7 Å²	48.7	11%	0.108	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	133.7	174.5	-53.4	-49	0	0	0	109.7	L296 V301 I330 Q333 I338 L347 M348 T349	L296-I335 HydrophobicContact CD1-CB 3.82Å; L296-I335 HydrophobicContact CD1-CG2 3.96Å; L296-I335 HydrophobicContact CD2-CG2 4.47Å; V301-I335 HydrophobicContact CG2-CB 4.04Å; V301-I335 HydrophobicContact CG2-CG1 3.74Å; V301-I335 HydrophobicContact CG2-CG2 4.19Å; I330-I335 HydrophobicContact CD1-CG1 4.44Å; Q333-I335 HydrophobicContact CB-CD1 4.32Å; Q333-I335 PolarHBondContact O-N 2.91Å; Q333-I335 VanDerWaalsContact O-N 3.07Å; I335-I338 HydrophobicContact CG2-CG2 3.92Å; I335-L347 HydrophobicContact CD1-CB 4.23Å; I335-L347 HydrophobicContact CG2-CB 4.11Å; I335-L347 HydrophobicContact CG2-CD2 4.48Å; I335-M348 CarbonylContact C-O 3.54Å; I335-M348 WeakPolarHBondContact CA-O 3.37Å; I335-M348 WeakPolarHBondContact CG2-O 3.25Å; I335-T349 HydrophobicContact CD1-CG2 4Å
336	C	95.3	Very high	95.2	Very high	47 Å²	47	45.2 Å²	45.2	32%	0.318	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	-18.3	179.9	64.7	0	0	0	0	113.9	Q285 M348 T349 E350	Q285-C336 PolarHBondContact NE2-O 3.41Å; C336-M348 PolarHBondContact N-O 3.34Å; C336-M348 PolarHBondContact SG-O 2.9Å; C336-M348 VanDerWaalsContact SG-O 3.4Å; C336-T349 VanDerWaalsContact SG-C 3.51Å; C336-T349 PolarHBondContact SG-O 2.9Å; C336-T349 VanDerWaalsContact SG-O 3.42Å; C336-E350 HydrophobicContact CB-CG 4.35Å
337	H	96.8	Very high	95.3	Very high	58 Å²	58	43 Å²	43	27%	0.269	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	140.1	177.4	-167.6	-79.2	0	0	0	111	M348	H337-M348 HydrophobicContact CB-CB 3.98Å; H337-M348 HydrophobicContact CB-CE 3.94Å; H337-M348 PolarHBondContact O-N 2.86Å
338	I	98	Very high	95.3	Very high	7 Å²	7	43.9 Å²	43.9	4%	0.036	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	146.3	175.1	65.1	172	0	0	0	111.1	Q285 A287 V294 L296 I335 L347	Q285-I338 HydrophobicContact CB-CD1 4.13Å; Q285-I338 HydrophobicContact CB-CG1 4.04Å; A287-I338 HydrophobicContact CB-CD1 3.92Å; A287-I338 HydrophobicContact CB-CG1 3.95Å; V294-I338 HydrophobicContact CG1-CD1 4.2Å; V294-I338 VanDerWaalsContact O-CD1 3.3Å; V294-I338 WeakPolarHBondContact O-CD1 3.05Å; L296-I338 HydrophobicContact CB-CD1 4.14Å; L296-I338 HydrophobicContact CB-CG2 3.99Å; L296-I338 HydrophobicContact CD2-CG2 4.36Å; I335-I338 HydrophobicContact CG2-CG2 3.92Å; I338-L347 HydrophobicContact CB-CD2 3.97Å; I338-L347 HydrophobicContact CG2-CD2 3.5Å; I338-L347 VanDerWaalsContact CG2-CD2 3.5Å
339	S	98.2	Very high	95.5	Very high	13 Å²	13	39 Å²	39	9%	0.091	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	127.4	177.6	-172.3	0	0	0	0	110	T345 A346 C394	S339-T345 WeakPolarHBondContact O-CA 3.29Å; S339-A346 PolarHBondContact N-O 3.5Å; S339-A346 PolarHBondContact O-N 2.85Å; S339-C394 PolarHBondContact OG-N 3.03Å
340	C	98.3	Very high	95.5	Very high	17 Å²	17	38 Å²	38	12%	0.115	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	140.5	173.3	-71.5	0	0	0	0	109.3	A287 H292 V294 C394	A287-C340 HydrophobicContact CB-CB 3.96Å; A287-C340 PolarHBondContact O-SG 3.01Å; A287-C340 VanDerWaalsContact O-SG 3.32Å; H292-C340 PolarHBondContact NE2-SG 3.12Å; V294-C340 VanDerWaalsContact CG2-SG 3.54Å; C340-C394 VanDerWaalsContact C-CB 3.49Å
341	G	97.4	Very high	95.5	Very high	5 Å²	5	43.1 Å²	43.1	5%	0.052	22%	0.216	C	C	.	.			trans	-104.5	-169.1	156.5	0	0	0	0	0	109.7	G289 H292 N343 H344 C394 G395	G289-G341 VanDerWaalsContact CA-O 3.22Å; G289-G341 WeakPolarHBondContact CA-O 3.42Å; H292-G341 VanDerWaalsContact CE1-C 3.49Å; H292-G341 PolarHBondContact CE1-O 3.35Å; G341-N343 VanDerWaalsContact C-N 3.33Å; G341-N343 PolarHBondContact O-N 2.92Å; G341-H344 PolarHBondContact N-O 2.74Å; G341-C394 VanDerWaalsContact N-CB 3.29Å; G341-G395 WeakPolarHBondContact CA-O 3.2Å
342	E	97.5	Very high	95.7	Very high	55 Å²	55	39.2 Å²	39.2	26%	0.257	20%	0.201	S	C	.	.	S	Bend	trans	-47.6	-52	176.5	-177.2	-144.1	-165.5	0	0	113.2	Y237 G290 H292	Y237-E342 HydrophobicContact CE1-CB 4.39Å; Y237-E342 HydrophobicContact CE1-CG 4.08Å; Y237-E342 HydrophobicContact CE2-CB 3.73Å; Y237-E342 HydrophobicContact CE2-CG 4.18Å; G290-E342 WeakPolarHBondContact CA-O 3.49Å; G290-E342 PolarHBondContact N-O 3.42Å; H292-E342 PolarHBondContact CE1-O 2.47Å
343	N	97.5	Very high	96.1	Very high	18 Å²	18	33.4 Å²	33.4	10%	0.096	17%	0.17	C	C	.	.	S	Bend	trans	-134.7	17.5	-166.9	-87.8	-49.9	0	0	0	113.3	H292 F309 Q311 G341 D359	H292-N343 PolarHBondContact CE1-N 3.24Å; F309-N343 HydrophobicContact CD2-CB 3.89Å; F309-N343 VanDerWaalsContact CD2-OD1 3.27Å; F309-N343 WeakPolarHBondContact CD2-OD1 3.17Å; F309-N343 HydrophobicContact CE2-CB 4.31Å; F309-N343 VanDerWaalsContact CE2-OD1 3.32Å; F309-N343 WeakPolarHBondContact CE2-OD1 3.42Å; Q311-N343 PolarHBondContact NE2-OD1 2.89Å; G341-N343 VanDerWaalsContact C-N 3.33Å; G341-N343 PolarHBondContact O-N 2.92Å; N343-D359 HydrophobicContact CB-CB 3.88Å; N343-D359 WeakPolarHBondContact O-CB 3.45Å; N343-D359 PolarHBondContact O-N 3.45Å
344	H	98.1	Very high	96.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	160.1	178.7	77.4	-61.1	0	0	0	112.5	H292 G341 F357 K364 L365 C394 G395 H398	H292-H344 PolarHBondContact CE1-N 2.76Å; H292-H344 PolarHBondContact CE1-O 2.85Å; H292-H344 PolarHBondContact NE2-O 2.94Å; G341-H344 PolarHBondContact N-O 2.74Å; H344-F357 WeakPolarHBondContact CA-O 3.39Å; H344-F357 WeakPolarHBondContact CB-O 3.43Å; H344-K364 WeakPolarHBondContact ND1-CE 3.35Å; H344-L365 HydrophobicContact CB-CD2 3.81Å; H344-C394 PolarHBondContact NE2-SG 2.89Å; H344-C394 VanDerWaalsContact NE2-SG 3.39Å; H344-G395 PolarHBondContact CE1-O 2.89Å; H344-H398 PolarHBondContact CE1-O 3.42Å
345	T	98.5	Very high	96.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	141.1	-174.2	-54.5	0	0	0	0	110.1	H292 V294 Q311 S339 L347 T356 F357	H292-T345 WeakPolarHBondContact NE2-CB 3.41Å; H292-T345 PolarHBondContact NE2-OG1 3.26Å; V294-T345 HydrophobicContact CG1-CG2 4.29Å; V294-T345 HydrophobicContact CG2-CG2 3.88Å; Q311-T345 PolarHBondContact O-OG1 3.41Å; S339-T345 WeakPolarHBondContact O-CA 3.29Å; T345-L347 HydrophobicContact CG2-CD2 4.11Å; T345-T356 WeakPolarHBondContact O-CA 3.33Å; T345-F357 HydrophobicContact CG2-CD2 4.5Å; T345-F357 HydrophobicContact CG2-CE1 3.88Å; T345-F357 HydrophobicContact CG2-CE2 3.75Å; T345-F357 HydrophobicContact CG2-CZ 3.39Å; T345-F357 PolarHBondContact N-O 2.77Å; T345-F357 PolarHBondContact O-N 3.35Å
346	A	98.3	Very high	96.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	140.4	173.6	0	0	0	0	0	111.1	S339 L354 Y355 T356 I392 C394 M399	S339-A346 PolarHBondContact N-O 3.5Å; S339-A346 PolarHBondContact O-N 2.85Å; A346-L354 HydrophobicContact CB-CD1 4.15Å; A346-Y355 CarbonylContact C-O 3.52Å; A346-Y355 WeakPolarHBondContact CA-O 3.35Å; A346-T356 HydrophobicContact CB-CG2 3.91Å; A346-I392 HydrophobicContact CB-CG2 3.8Å; A346-C394 VanDerWaalsContact CB-SG 3.55Å; A346-M399 HydrophobicContact CB-SD 4.18Å
347	L	97.9	Very high	96.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	138.5	-179.2	-50.3	175	0	0	0	110.1	V294 V301 I330 I335 I338 T345 Y355 F357	V294-L347 HydrophobicContact CG1-CD2 4.39Å; V301-L347 HydrophobicContact CG1-CD2 4.38Å; V301-L347 HydrophobicContact CG2-CD1 4.46Å; I330-L347 HydrophobicContact CD1-CD1 3.21Å; I335-L347 HydrophobicContact CD1-CB 4.23Å; I335-L347 HydrophobicContact CG2-CB 4.11Å; I335-L347 HydrophobicContact CG2-CD2 4.48Å; I338-L347 HydrophobicContact CB-CD2 3.97Å; I338-L347 HydrophobicContact CG2-CD2 3.5Å; I338-L347 VanDerWaalsContact CG2-CD2 3.5Å; T345-L347 HydrophobicContact CG2-CD2 4.11Å; L347-Y355 PolarHBondContact N-O 2.85Å; L347-Y355 PolarHBondContact O-N 2.76Å; L347-F357 HydrophobicContact CD1-CE1 3.58Å; L347-F357 HydrophobicContact CD1-CZ 3.99Å; L347-F357 HydrophobicContact CG-CE1 3.81Å; L347-F357 HydrophobicContact CG-CZ 4.28Å
348	M	96.7	Very high	96.9	Very high	21 Å²	21	19.7 Å²	19.7	10%	0.103	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	134.5	176	-158.1	164.2	70.4	0	0	110.8	I335 C336 H337 L353 V389 I392	I335-M348 CarbonylContact C-O 3.54Å; I335-M348 WeakPolarHBondContact CA-O 3.37Å; I335-M348 WeakPolarHBondContact CG2-O 3.25Å; C336-M348 PolarHBondContact N-O 3.34Å; C336-M348 PolarHBondContact SG-O 2.9Å; C336-M348 VanDerWaalsContact SG-O 3.4Å; H337-M348 HydrophobicContact CB-CB 3.98Å; H337-M348 HydrophobicContact CB-CE 3.94Å; H337-M348 PolarHBondContact O-N 2.86Å; M348-L353 WeakPolarHBondContact CA-O 3.49Å; M348-V389 HydrophobicContact CG-CG1 4.44Å; M348-V389 HydrophobicContact SD-CB 4.28Å; M348-V389 HydrophobicContact SD-CG1 3.81Å; M348-I392 HydrophobicContact CB-CD1 3.72Å; M348-I392 HydrophobicContact CG-CD1 4.19Å; M348-I392 HydrophobicContact SD-CD1 4.21Å; M348-I392 HydrophobicContact SD-CG1 4.49Å
349	T	95.8	Very high	96.9	Very high	3 Å²	3	19.5 Å²	19.5	2%	0.018	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	160.1	172	75.7	0	0	0	0	112.2	K334 I335 C336 L351 G352 L353 Y355	K334-T349 CarbonylContact O-C 3.58Å; K334-T349 WeakPolarHBondContact O-CA 3.25Å; K334-T349 WeakPolarHBondContact O-CB 3.23Å; I335-T349 HydrophobicContact CD1-CG2 4Å; C336-T349 VanDerWaalsContact SG-C 3.51Å; C336-T349 PolarHBondContact SG-O 2.9Å; C336-T349 VanDerWaalsContact SG-O 3.42Å; T349-L351 PolarHBondContact O-N 3.38Å; T349-L351 PolarHBondContact OG1-N 3.16Å; T349-G352 PolarHBondContact O-N 3.43Å; T349-L353 HydrophobicContact CG2-CB 4.11Å; T349-L353 PolarHBondContact N-O 3.12Å; T349-L353 WeakPolarHBondContact OG1-CB 3.2Å; T349-L353 PolarHBondContact OG1-N 2.9Å; T349-Y355 HydrophobicContact CG2-CD2 4.04Å; T349-Y355 HydrophobicContact CG2-CE2 3.72Å
350	E	92	Very high	96.7	Very high	120 Å²	120	18.9 Å²	18.9	56%	0.561	10%	0.097	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-27.2	170.5	-72.9	-175.7	175.6	0	0	113	K334 C336 G352	K334-E350 HydrophobicContact CB-CG 4.03Å; K334-E350 HydrophobicContact CD-CG 4.26Å; K334-E350 VanDerWaalsContact CD-OE1 3.29Å; K334-E350 WeakPolarHBondContact CD-OE1 3.37Å; K334-E350 WeakPolarHBondContact CD-OE2 3.41Å; K334-E350 VanDerWaalsContact NZ-CD 3.34Å; K334-E350 IonicContact NZ-OE1 3.41Å; K334-E350 PolarHBondContact NZ-OE1 2.85Å; K334-E350 IonicContact NZ-OE2 2.72Å; K334-E350 PolarHBondContact NZ-OE2 2.95Å; K334-E350 PolarHBondContact O-N 2.77Å; C336-E350 HydrophobicContact CB-CG 4.35Å; E350-G352 VanDerWaalsContact C-N 3.29Å; E350-G352 PolarHBondContact O-N 2.8Å
351	L	92.6	Very high	96.6	Very high	115 Å²	115	23.7 Å²	23.7	60%	0.602	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	2	178.7	-57.9	178.2	0	0	0	113.6	T349 L353 R406	T349-L351 PolarHBondContact O-N 3.38Å; T349-L351 PolarHBondContact OG1-N 3.16Å; L351-L353 HydrophobicContact CB-CG 4.38Å; L351-R406 VanDerWaalsContact O-CZ 3.31Å; L351-R406 PolarHBondContact O-NH1 3.35Å; L351-R406 PolarHBondContact O-NH2 2.95Å
352	G	93.4	Very high	96.3	Very high	7 Å²	7	27.3 Å²	27.3	7%	0.072	13%	0.128	C	C	.	.	S	Bend	trans	68.8	31.4	-175.3	0	0	0	0	0	113.4	T349 E350 V389 R406	T349-G352 PolarHBondContact O-N 3.43Å; E350-G352 VanDerWaalsContact C-N 3.29Å; E350-G352 PolarHBondContact O-N 2.8Å; G352-V389 PolarHBondContact O-N 2.84Å; G352-R406 PolarHBondContact O-NH2 2.79Å; G352-R406 VanDerWaalsContact O-NH2 3.1Å
353	L	95.6	Very high	96.1	Very high	8 Å²	8	24.9 Å²	24.9	4%	0.042	12%	0.118	C	C	.	.			trans	-89.8	148.8	168.6	-58	176.7	0	0	0	109.9	M348 T349 L351 Y355 L380 L385	M348-L353 WeakPolarHBondContact CA-O 3.49Å; T349-L353 HydrophobicContact CG2-CB 4.11Å; T349-L353 PolarHBondContact N-O 3.12Å; T349-L353 WeakPolarHBondContact OG1-CB 3.2Å; T349-L353 PolarHBondContact OG1-N 2.9Å; L351-L353 HydrophobicContact CB-CG 4.38Å; L353-Y355 HydrophobicContact CB-CE2 4.33Å; L353-L380 HydrophobicContact CB-CD1 4.2Å; L353-L385 HydrophobicContact CD2-CD2 4.18Å
354	L	97.1	Very high	96.1	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	126.8	-178.1	174.1	67	0	0	0	110.7	A346 T356 C381 F384 V389 I392 M399 V401	A346-L354 HydrophobicContact CB-CD1 4.15Å; L354-T356 HydrophobicContact CD1-CG2 4.16Å; L354-T356 HydrophobicContact CD2-CG2 4.49Å; L354-T356 HydrophobicContact CG-CG2 4.2Å; L354-C381 HydrophobicContact CB-CB 4.17Å; L354-C381 HydrophobicContact CD2-CB 3.97Å; L354-C381 HydrophobicContact CG-CB 4.05Å; L354-C381 PolarHBondContact O-N 3.28Å; L354-F384 HydrophobicContact CD2-CD2 3.8Å; L354-F384 HydrophobicContact CD2-CE2 3.94Å; L354-V389 HydrophobicContact CB-CG2 4.06Å; L354-I392 HydrophobicContact CD1-CD1 3.46Å; L354-I392 VanDerWaalsContact CD1-CD1 3.46Å; L354-I392 HydrophobicContact CD1-CG1 4.06Å; L354-M399 HydrophobicContact CD2-CE 4.34Å; L354-V401 HydrophobicContact CD2-CG1 4.31Å; L354-V401 HydrophobicContact CD2-CG2 3.93Å
355	Y	97.7	Very high	95.9	Very high	24 Å²	24	24.2 Å²	24.2	9%	0.094	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	137.2	170.2	-69.6	-103.7	0	0	0	109.7	A346 L347 T349 L353 P378 T379 L380	A346-Y355 CarbonylContact C-O 3.52Å; A346-Y355 WeakPolarHBondContact CA-O 3.35Å; L347-Y355 PolarHBondContact N-O 2.85Å; L347-Y355 PolarHBondContact O-N 2.76Å; T349-Y355 HydrophobicContact CG2-CD2 4.04Å; T349-Y355 HydrophobicContact CG2-CE2 3.72Å; L353-Y355 HydrophobicContact CB-CE2 4.33Å; Y355-P378 HydrophobicContact CD1-CB 4.22Å; Y355-T379 WeakPolarHBondContact CA-O 3.38Å; Y355-L380 HydrophobicContact CD1-CB 4.14Å; Y355-L380 HydrophobicContact CD2-CD1 4.37Å; Y355-L380 HydrophobicContact CE1-CB 3.83Å; Y355-L380 HydrophobicContact CE1-CD1 4.31Å; Y355-L380 HydrophobicContact CE2-CD1 3.93Å
356	T	98.1	Very high	95.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	151.5	177.7	55.5	0	0	0	0	112.5	T345 A346 L354 L365 T379 C381 M399	T345-T356 WeakPolarHBondContact O-CA 3.33Å; A346-T356 HydrophobicContact CB-CG2 3.91Å; L354-T356 HydrophobicContact CD1-CG2 4.16Å; L354-T356 HydrophobicContact CD2-CG2 4.49Å; L354-T356 HydrophobicContact CG-CG2 4.2Å; T356-L365 WeakPolarHBondContact CG2-O 3.19Å; T356-L365 PolarHBondContact OG1-O 2.96Å; T356-T379 PolarHBondContact N-O 2.89Å; T356-T379 PolarHBondContact O-N 2.98Å; T356-C381 PolarHBondContact OG1-SG 3.47Å; T356-M399 HydrophobicContact CG2-CE 4.2Å; T356-M399 HydrophobicContact CG2-SD 4.02Å
357	F	97.9	Very high	95.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	164.9	179.1	49	-78.3	0	0	0	112.1	Q311 G313 I327 H344 T345 L347 P378	Q311-F357 WeakPolarHBondContact O-CD2 3.43Å; Q311-F357 WeakPolarHBondContact O-CE2 3.32Å; G313-F357 VanDerWaalsContact CA-CD2 3.47Å; G313-F357 VanDerWaalsContact N-CD2 3.31Å; I327-F357 HydrophobicContact CD1-CE2 4.08Å; I327-F357 HydrophobicContact CD1-CZ 3.72Å; H344-F357 WeakPolarHBondContact CA-O 3.39Å; H344-F357 WeakPolarHBondContact CB-O 3.43Å; T345-F357 HydrophobicContact CG2-CD2 4.5Å; T345-F357 HydrophobicContact CG2-CE1 3.88Å; T345-F357 HydrophobicContact CG2-CE2 3.75Å; T345-F357 HydrophobicContact CG2-CZ 3.39Å; T345-F357 PolarHBondContact N-O 2.77Å; T345-F357 PolarHBondContact O-N 3.35Å; L347-F357 HydrophobicContact CD1-CE1 3.58Å; L347-F357 HydrophobicContact CD1-CZ 3.99Å; L347-F357 HydrophobicContact CG-CE1 3.81Å; L347-F357 HydrophobicContact CG-CZ 4.28Å; F357-P378 HydrophobicContact CD1-CB 3.83Å; F357-P378 HydrophobicContact CD1-CG 3.89Å; F357-P378 HydrophobicContact CE1-CB 3.99Å; F357-P378 HydrophobicContact CE1-CG 3.81Å; F357-P378 HydrophobicContact CG-CG 4.46Å; F357-P378 HydrophobicContact CZ-CG 4.31Å
358	G	97.8	Very high	94.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	100	-151.2	-171.4	0	0	0	0	0	114.2	F309 G360 N374 Q375	F309-G358 CarbonylContact O-C 3.47Å; F309-G358 VanDerWaalsContact O-CA 3.25Å; F309-G358 WeakPolarHBondContact O-CA 3.27Å; G358-G360 PolarHBondContact O-N 2.97Å; G358-N374 WeakPolarHBondContact O-CA 3.39Å; G358-Q375 PolarHBondContact N-O 3.17Å; G358-Q375 PolarHBondContact O-N 3.07Å
359	D	97.6	Very high	93.5	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.011	15%	0.151	C	C	.	.			trans	-60.7	119.1	-172.7	172.5	24.2	0	0	0	113.6	F309 N343 R361 K364	F309-D359 HydrophobicContact CB-CB 3.88Å; F309-D359 HydrophobicContact CD2-CB 4.2Å; F309-D359 HydrophobicContact CG-CB 4.17Å; N343-D359 HydrophobicContact CB-CB 3.88Å; N343-D359 WeakPolarHBondContact O-CB 3.45Å; N343-D359 PolarHBondContact O-N 3.45Å; D359-R361 VanDerWaalsContact CG-NE 3.25Å; D359-R361 WeakPolarHBondContact OD1-CB 3.33Å; D359-R361 WeakPolarHBondContact OD1-CG 3.45Å; D359-R361 IonicContact OD1-CZ 2.63Å; D359-R361 PolarHBondContact OD1-N 3.07Å; D359-R361 IonicContact OD1-NE 2.7Å; D359-R361 PolarHBondContact OD1-NE 2.84Å; D359-R361 IonicContact OD2-CZ 3.42Å; D359-R361 VanDerWaalsContact OD2-CZ 3.23Å; D359-R361 IonicContact OD2-NE 3.97Å; D359-R361 PolarHBondContact OD2-NE 2.9Å; D359-R361 IonicContact OD2-NH2 2.7Å; D359-R361 PolarHBondContact OD2-NH2 3.21Å; D359-K364 VanDerWaalsContact O-CE 3.26Å; D359-K364 WeakPolarHBondContact O-CE 3.19Å; D359-K364 WeakPolarHBondContact OD2-CE 3.42Å; D359-K364 IonicContact OD2-NZ 3.87Å; D359-K364 PolarHBondContact OD2-NZ 2.7Å
360	G	95.4	Very high	92.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.189	C	C	.	.			trans	-81.9	-5.7	179.7	0	0	0	0	0	115.1	G358 H362 G363 F372 N374	G358-G360 PolarHBondContact O-N 2.97Å; G360-H362 PolarHBondContact O-N 2.86Å; G360-G363 PolarHBondContact O-N 2.86Å; G360-F372 CarbonylContact C-O 3.5Å; G360-F372 WeakPolarHBondContact O-CA 3.49Å; G360-N374 PolarHBondContact N-OD1 2.79Å
361	R	94.6	Very high	92.4	Very high	119 Å²	119	37 Å²	37	45%	0.449	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-53.7	136.1	-175.2	-74.6	176	-62.1	173.6	6.7	111.8	D359 G363 K364	D359-R361 VanDerWaalsContact CG-NE 3.25Å; D359-R361 WeakPolarHBondContact OD1-CB 3.33Å; D359-R361 WeakPolarHBondContact OD1-CG 3.45Å; D359-R361 IonicContact OD1-CZ 2.63Å; D359-R361 PolarHBondContact OD1-N 3.07Å; D359-R361 IonicContact OD1-NE 2.7Å; D359-R361 PolarHBondContact OD1-NE 2.84Å; D359-R361 IonicContact OD2-CZ 3.42Å; D359-R361 VanDerWaalsContact OD2-CZ 3.23Å; D359-R361 IonicContact OD2-NE 3.97Å; D359-R361 PolarHBondContact OD2-NE 2.9Å; D359-R361 IonicContact OD2-NH2 2.7Å; D359-R361 PolarHBondContact OD2-NH2 3.21Å; R361-G363 PolarHBondContact O-N 3.23Å; R361-K364 PolarHBondContact O-N 3.26Å
362	H	93	Very high	92.4	Very high	81 Å²	81	37.1 Å²	37.1	38%	0.375	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	59.6	7.5	-178.2	-46.3	-51.3	0	0	0	115.5	G56 K57 G360 K364	G56-H362 WeakPolarHBondContact CA-O 3.23Å; K57-H362 WeakPolarHBondContact CE-CE1 3.47Å; K57-H362 WeakPolarHBondContact CE-NE2 3.44Å; K57-H362 HydrophobicContact CG-CB 4.28Å; K57-H362 PolarHBondContact NZ-CE1 2.86Å; K57-H362 PolarHBondContact NZ-NE2 3.39Å; G360-H362 PolarHBondContact O-N 2.86Å; H362-K364 VanDerWaalsContact C-N 3.34Å
363	G	93.3	Very high	92.4	Very high	4 Å²	4	40.9 Å²	40.9	4%	0.041	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	79.2	18	177.4	0	0	0	0	0	113.2	G360 R361 L365 G366	G360-G363 PolarHBondContact O-N 2.86Å; R361-G363 PolarHBondContact O-N 3.23Å; G363-L365 PolarHBondContact O-N 3.06Å; G363-G366 PolarHBondContact O-N 2.88Å
364	K	95.6	Very high	92.4	Very high	2 Å²	2	43 Å²	43	1%	0.009	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-21.5	-175.8	70.6	-170.7	-168.5	-173.1	0	114.1	H344 D359 R361 H362 G366 G396 M399	H344-K364 WeakPolarHBondContact ND1-CE 3.35Å; D359-K364 VanDerWaalsContact O-CE 3.26Å; D359-K364 WeakPolarHBondContact O-CE 3.19Å; D359-K364 WeakPolarHBondContact OD2-CE 3.42Å; D359-K364 IonicContact OD2-NZ 3.87Å; D359-K364 PolarHBondContact OD2-NZ 2.7Å; R361-K364 PolarHBondContact O-N 3.26Å; H362-K364 VanDerWaalsContact C-N 3.34Å; K364-G366 VanDerWaalsContact C-N 3.25Å; K364-G366 PolarHBondContact O-N 3.41Å; K364-G396 PolarHBondContact NZ-O 2.61Å; K364-M399 WeakPolarHBondContact O-CB 3.44Å; K364-M399 VanDerWaalsContact O-CE 3.29Å; K364-M399 WeakPolarHBondContact O-CE 3.42Å
365	L	95.8	Very high	92.4	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-12.5	172.9	-54.8	179	0	0	0	114.7	H344 T356 G363 L367 Q375 C381	H344-L365 HydrophobicContact CB-CD2 3.81Å; T356-L365 WeakPolarHBondContact CG2-O 3.19Å; T356-L365 PolarHBondContact OG1-O 2.96Å; G363-L365 PolarHBondContact O-N 3.06Å; L365-L367 HydrophobicContact CB-CD1 3.88Å; L365-L367 HydrophobicContact CB-CG 3.9Å; L365-L367 HydrophobicContact CD1-CD1 3.94Å; L365-L367 PolarHBondContact O-N 2.75Å; L365-L367 VanDerWaalsContact O-N 3.17Å; L365-Q375 HydrophobicContact CD1-CB 4.27Å; L365-Q375 HydrophobicContact CD1-CG 3.78Å; L365-C381 PolarHBondContact O-SG 3.07Å
366	G	93.3	Very high	92.4	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.01	23%	0.227	C	C	.	.			trans	69.2	10.3	179.1	0	0	0	0	0	115.8	G363 K364 G368 N383	G363-G366 PolarHBondContact O-N 2.88Å; K364-G366 VanDerWaalsContact C-N 3.25Å; K364-G366 PolarHBondContact O-N 3.41Å; G366-G368 PolarHBondContact O-N 2.88Å; G366-N383 PolarHBondContact O-ND2 3.13Å
367	L	91.1	Very high	92.3	Very high	14 Å²	14	49.6 Å²	49.6	7%	0.073	24%	0.242	C	C	.	.	S	Bend	trans	-77.6	3.9	-175	-63.7	173.9	0	0	0	115.2	L365 N371 Q375 T379 C381 N383	L365-L367 HydrophobicContact CB-CD1 3.88Å; L365-L367 HydrophobicContact CB-CG 3.9Å; L365-L367 HydrophobicContact CD1-CD1 3.94Å; L365-L367 PolarHBondContact O-N 2.75Å; L365-L367 VanDerWaalsContact O-N 3.17Å; L367-N371 HydrophobicContact CB-CB 4.32Å; L367-N371 PolarHBondContact O-ND2 2.66Å; L367-Q375 HydrophobicContact CD1-CG 3.54Å; L367-T379 HydrophobicContact CD1-CG2 3.93Å; L367-T379 HydrophobicContact CD2-CG2 3.73Å; L367-T379 HydrophobicContact CG-CG2 4.49Å; L367-C381 HydrophobicContact CD2-CB 4.37Å; L367-N383 VanDerWaalsContact C-ND2 3.34Å
368	G	82.4	Confident	92.3	Very high	19 Å²	19	50 Å²	50	20%	0.196	25%	0.245	C	C	.	.			trans	135	157.8	178.6	0	0	0	0	0	112.5	G366 E370 N371 N383	G366-G368 PolarHBondContact O-N 2.88Å; G368-E370 VanDerWaalsContact C-N 3.25Å; G368-E370 PolarHBondContact O-N 3.08Å; G368-N371 PolarHBondContact O-N 2.72Å; G368-N383 PolarHBondContact N-ND2 3.14Å
369	M	74.1	Confident	92.2	Very high	125 Å²	125	52 Å²	52	62%	0.616	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-19.7	-169	-59.1	179.1	79.4	0	0	114.7	I64 P65 F372	I64-M369 HydrophobicContact CG2-CE 4.16Å; P65-M369 HydrophobicContact CB-CG 4.47Å; P65-M369 HydrophobicContact CG-CG 4.38Å; M369-F372 WeakPolarHBondContact O-CZ 3.17Å
370	E	79.4	Confident	92.1	Very high	171 Å²	171	53.5 Å²	53.5	80%	0.799	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.8	-1.9	179	-57.4	-171.6	161.8	0	0	113.3	G368 F372	G368-E370 VanDerWaalsContact C-N 3.25Å; G368-E370 PolarHBondContact O-N 3.08Å; E370-F372 WeakPolarHBondContact O-CD2 3.17Å; E370-F372 PolarHBondContact O-N 3.41Å
371	N	84.4	Confident	92.1	Very high	84 Å²	84	53.6 Å²	53.6	45%	0.449	27%	0.265	S	S	.	.			trans	-86.6	74.7	-171.5	-80	-22.4	0	0	0	111.9	L367 G368 T373	L367-N371 HydrophobicContact CB-CB 4.32Å; L367-N371 PolarHBondContact O-ND2 2.66Å; G368-N371 PolarHBondContact O-N 2.72Å; N371-T373 VanDerWaalsContact C-N 3.33Å; N371-T373 PolarHBondContact O-N 3.48Å
372	F	91.8	Very high	91.9	Very high	117 Å²	117	50.6 Å²	50.6	51%	0.513	26%	0.263	S	S	.	.			trans	-89.5	14.1	-179.9	-51.7	-57.1	0	0	0	114.9	G360 M369 E370	G360-F372 CarbonylContact C-O 3.5Å; G360-F372 WeakPolarHBondContact O-CA 3.49Å; M369-F372 WeakPolarHBondContact O-CZ 3.17Å; E370-F372 WeakPolarHBondContact O-CD2 3.17Å; E370-F372 PolarHBondContact O-N 3.41Å
373	T	94.5	Very high	91.8	Very high	85 Å²	85	50.7 Å²	50.7	52%	0.521	27%	0.266	S	S	.	.			trans	-87.4	133.1	-177.5	53.9	0	0	0	0	112	N371 Q375	N371-T373 VanDerWaalsContact C-N 3.33Å; N371-T373 PolarHBondContact O-N 3.48Å; T373-Q375 PolarHBondContact O-NE2 2.88Å; T373-Q375 PolarHBondContact OG1-NE2 3.17Å
374	N	96.4	Very high	91.8	Very high	54 Å²	54	50.9 Å²	50.9	29%	0.289	27%	0.266	S	S	.	.			trans	-52.2	136.2	168.8	-67.9	9	0	0	0	111.3	F309 G358 G360 F376	F309-N374 WeakPolarHBondContact O-CB 3.43Å; G358-N374 WeakPolarHBondContact O-CA 3.39Å; G360-N374 PolarHBondContact N-OD1 2.79Å; N374-F376 HydrophobicContact CB-CE2 3.87Å; N374-F376 HydrophobicContact CB-CZ 4.3Å
375	Q	96.8	Very high	91.6	Very high	50 Å²	50	52.5 Å²	52.5	23%	0.234	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	118.8	178.9	-58.4	-59.8	-12.6	0	0	110.3	G358 L365 L367 T373 F377	G358-Q375 PolarHBondContact N-O 3.17Å; G358-Q375 PolarHBondContact O-N 3.07Å; L365-Q375 HydrophobicContact CD1-CB 4.27Å; L365-Q375 HydrophobicContact CD1-CG 3.78Å; L367-Q375 HydrophobicContact CD1-CG 3.54Å; T373-Q375 PolarHBondContact O-NE2 2.88Å; T373-Q375 PolarHBondContact OG1-NE2 3.17Å; Q375-F377 VanDerWaalsContact C-N 3.34Å
376	F	96.9	Very high	91.3	Very high	41 Å²	41	61.1 Å²	61.1	18%	0.18	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	2	-177.9	-65.8	-94.1	0	0	0	113.5	G310 G313 G315 T316 F319 N374	G310-F376 VanDerWaalsContact N-CE1 3.34Å; G313-F376 CarbonylContact C-O 3.59Å; G313-F376 WeakPolarHBondContact CA-O 3.15Å; G315-F376 WeakPolarHBondContact CA-O 2.94Å; G315-F376 PolarHBondContact N-O 2.85Å; T316-F376 HydrophobicContact CG2-CB 3.75Å; T316-F376 HydrophobicContact CG2-CD2 4.12Å; T316-F376 HydrophobicContact CG2-CG 4Å; F319-F376 HydrophobicContact CD1-CD1 4.1Å; F319-F376 AromaticContact CD1-CE1 3.72Å; F319-F376 HydrophobicContact CD1-CE1 3.72Å; F319-F376 AromaticContact CE1-CD1 3.81Å; F319-F376 HydrophobicContact CE1-CD1 3.81Å; F319-F376 AromaticContact CE1-CE1 3.48Å; F319-F376 HydrophobicContact CE1-CE1 3.48Å; F319-F376 VanDerWaalsContact CE1-CE1 3.48Å; F319-F376 HydrophobicContact CE1-CZ 4.27Å; N374-F376 HydrophobicContact CB-CE2 3.87Å; N374-F376 HydrophobicContact CB-CZ 4.3Å
377	F	96.3	Very high	91.3	Very high	72 Å²	72	62.8 Å²	62.8	32%	0.316	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	149.5	176.4	-61.7	-79.9	0	0	0	109.2	G315 T316 Q375 T379	G315-F377 VanDerWaalsContact CA-CZ 3.44Å; T316-F377 HydrophobicContact CG2-CE2 4.13Å; Q375-F377 VanDerWaalsContact C-N 3.34Å; F377-T379 PolarHBondContact O-N 3.23Å; F377-T379 VanDerWaalsContact O-N 3.08Å; F377-T379 PolarHBondContact O-OG1 3.37Å
378	P	97	Very high	91.5	Very high	9 Å²	9	63.2 Å²	63.2	6%	0.058	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.9	117.5	172.3	-23.9	32.8	0	0	0	111.2	I327 I330 Y355 F357	I327-P378 HydrophobicContact CG2-CG 3.56Å; I330-P378 HydrophobicContact CD1-CG 4.15Å; I330-P378 HydrophobicContact CG1-CG 4.4Å; I330-P378 HydrophobicContact CG2-CB 3.68Å; I330-P378 HydrophobicContact CG2-CG 3.88Å; Y355-P378 HydrophobicContact CD1-CB 4.22Å; F357-P378 HydrophobicContact CD1-CB 3.83Å; F357-P378 HydrophobicContact CD1-CG 3.89Å; F357-P378 HydrophobicContact CE1-CB 3.99Å; F357-P378 HydrophobicContact CE1-CG 3.81Å; F357-P378 HydrophobicContact CG-CG 4.46Å; F357-P378 HydrophobicContact CZ-CG 4.31Å
379	T	96.1	Very high	92.2	Very high	42 Å²	42	62.5 Å²	62.5	26%	0.258	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	123.9	-174.9	-56.9	0	0	0	0	109.4	Y355 T356 L367 F377 C381	Y355-T379 WeakPolarHBondContact CA-O 3.38Å; T356-T379 PolarHBondContact N-O 2.89Å; T356-T379 PolarHBondContact O-N 2.98Å; L367-T379 HydrophobicContact CD1-CG2 3.93Å; L367-T379 HydrophobicContact CD2-CG2 3.73Å; L367-T379 HydrophobicContact CG-CG2 4.49Å; F377-T379 PolarHBondContact O-N 3.23Å; F377-T379 VanDerWaalsContact O-N 3.08Å; F377-T379 PolarHBondContact O-OG1 3.37Å; T379-C381 PolarHBondContact O-N 2.92Å
380	L	95.8	Very high	93.2	Very high	33 Å²	33	60.9 Å²	60.9	17%	0.173	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	125	179.3	177.9	63.9	0	0	0	110.6	L353 Y355 S382 L385 Y419	L353-L380 HydrophobicContact CB-CD1 4.2Å; Y355-L380 HydrophobicContact CD1-CB 4.14Å; Y355-L380 HydrophobicContact CD2-CD1 4.37Å; Y355-L380 HydrophobicContact CE1-CB 3.83Å; Y355-L380 HydrophobicContact CE1-CD1 4.31Å; Y355-L380 HydrophobicContact CE2-CD1 3.93Å; L380-S382 VanDerWaalsContact C-N 3.29Å; L380-S382 PolarHBondContact O-N 3.4Å; L380-L385 HydrophobicContact CD2-CD2 4.33Å; L380-Y419 HydrophobicContact CD2-CE2 4.5Å
381	C	95.2	Very high	94.1	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.007	28%	0.275	C	S	.	.			trans	-75.6	79.4	174.1	-63.4	0	0	0	0	110.5	L354 T356 L365 L367 T379 N383 F384	L354-C381 HydrophobicContact CB-CB 4.17Å; L354-C381 HydrophobicContact CD2-CB 3.97Å; L354-C381 HydrophobicContact CG-CB 4.05Å; L354-C381 PolarHBondContact O-N 3.28Å; T356-C381 PolarHBondContact OG1-SG 3.47Å; L365-C381 PolarHBondContact O-SG 3.07Å; L367-C381 HydrophobicContact CD2-CB 4.37Å; T379-C381 PolarHBondContact O-N 2.92Å; C381-N383 PolarHBondContact O-N 2.85Å; C381-F384 HydrophobicContact CB-CD2 3.97Å; C381-F384 PolarHBondContact O-N 3.46Å
382	S	91.4	Very high	94.7	Very high	56 Å²	56	51.3 Å²	51.3	39%	0.392	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-51.7	-30.5	-177.6	56.2	0	0	0	0	114.4	L380 F384 L385	L380-S382 VanDerWaalsContact C-N 3.29Å; L380-S382 PolarHBondContact O-N 3.4Å; S382-F384 PolarHBondContact O-N 3.46Å; S382-F384 VanDerWaalsContact O-N 3.11Å; S382-L385 WeakPolarHBondContact O-CB 3.29Å; S382-L385 WeakPolarHBondContact O-CG 3.46Å; S382-L385 PolarHBondContact O-N 3.44Å
383	N	89.8	Confident	95	Very high	83 Å²	83	46 Å²	46	44%	0.444	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-53.2	-28.8	172.9	-58	-43.4	0	0	0	113.3	G366 L367 G368 C381	G366-N383 PolarHBondContact O-ND2 3.13Å; L367-N383 VanDerWaalsContact C-ND2 3.34Å; G368-N383 PolarHBondContact N-ND2 3.14Å; C381-N383 PolarHBondContact O-N 2.85Å
384	F	93.3	Very high	95.2	Very high	8 Å²	8	42.3 Å²	42.3	4%	0.035	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-94.4	1.7	-179.7	-74.8	-72.8	0	0	0	114.7	F53 F55 L354 C381 S382 R386 F387 V389 V401 A403	F53-F384 HydrophobicContact CB-CE1 4.32Å; F53-F384 HydrophobicContact CB-CZ 3.9Å; F53-F384 HydrophobicContact CD1-CE1 4.21Å; F53-F384 HydrophobicContact CD1-CZ 4.31Å; F53-F384 AromaticContact CD2-CE1 3.69Å; F53-F384 HydrophobicContact CD2-CE1 3.69Å; F53-F384 HydrophobicContact CD2-CZ 4.16Å; F53-F384 HydrophobicContact CE1-CE1 4.45Å; F53-F384 AromaticContact CE2-CE1 3.98Å; F53-F384 HydrophobicContact CE2-CE1 3.98Å; F53-F384 AromaticContact CG-CE1 3.82Å; F53-F384 HydrophobicContact CG-CE1 3.82Å; F53-F384 AromaticContact CG-CZ 3.88Å; F53-F384 HydrophobicContact CG-CZ 3.88Å; F53-F384 HydrophobicContact CZ-CE1 4.35Å; F55-F384 AromaticContact CE2-CE2 3.71Å; F55-F384 HydrophobicContact CE2-CE2 3.71Å; F55-F384 AromaticContact CE2-CZ 3.66Å; F55-F384 HydrophobicContact CE2-CZ 3.66Å; F55-F384 AromaticContact CZ-CE2 3.59Å; F55-F384 HydrophobicContact CZ-CE2 3.59Å; F55-F384 AromaticContact CZ-CZ 3.61Å; F55-F384 HydrophobicContact CZ-CZ 3.61Å; L354-F384 HydrophobicContact CD2-CD2 3.8Å; L354-F384 HydrophobicContact CD2-CE2 3.94Å; C381-F384 HydrophobicContact CB-CD2 3.97Å; C381-F384 PolarHBondContact O-N 3.46Å; S382-F384 PolarHBondContact O-N 3.46Å; S382-F384 VanDerWaalsContact O-N 3.11Å; F384-R386 PolarHBondContact O-N 3.14Å; F384-R386 VanDerWaalsContact O-N 3.15Å; F384-F387 HydrophobicContact CD1-CB 4.22Å; F384-F387 HydrophobicContact CD1-CD2 4.3Å; F384-F387 HydrophobicContact CD1-CG 4.42Å; F384-F387 CarbonylContact O-C 3.55Å; F384-F387 WeakPolarHBondContact O-CA 3.35Å; F384-F387 PolarHBondContact O-N 3.29Å; F384-V389 HydrophobicContact CB-CG2 4.09Å; F384-V389 HydrophobicContact CD1-CG2 3.98Å; F384-V389 HydrophobicContact CG-CG2 4.02Å; F384-V401 HydrophobicContact CE1-CB 4.44Å; F384-V401 HydrophobicContact CE1-CG1 3.98Å; F384-V401 HydrophobicContact CE2-CB 4.47Å; F384-V401 HydrophobicContact CE2-CG1 4.32Å; F384-V401 HydrophobicContact CE2-CG2 4.35Å; F384-V401 HydrophobicContact CZ-CB 3.92Å; F384-V401 HydrophobicContact CZ-CG1 3.83Å; F384-V401 HydrophobicContact CZ-CG2 4.26Å; F384-A403 HydrophobicContact CD1-CB 3.99Å; F384-A403 HydrophobicContact CE1-CB 3.99Å
385	L	91.4	Very high	95.2	Very high	36 Å²	36	39.9 Å²	39.9	19%	0.188	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-36.6	-179	-76.8	166.1	0	0	0	113.5	L353 L380 S382 F387 R406 F415	L353-L385 HydrophobicContact CD2-CD2 4.18Å; L380-L385 HydrophobicContact CD2-CD2 4.33Å; S382-L385 WeakPolarHBondContact O-CB 3.29Å; S382-L385 WeakPolarHBondContact O-CG 3.46Å; S382-L385 PolarHBondContact O-N 3.44Å; L385-F387 PolarHBondContact O-N 3.31Å; L385-R406 PolarHBondContact O-NE 2.84Å; L385-F415 HydrophobicContact CD2-CD1 3.85Å; L385-F415 HydrophobicContact CD2-CE1 4.09Å
386	R	90.3	Very high	95.2	Very high	182 Å²	182	37.5 Å²	37.5	69%	0.687	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-0.4	177.6	-65.2	-177.8	174.8	176.6	-2.6	114	F384 R406 E412	F384-R386 PolarHBondContact O-N 3.14Å; F384-R386 VanDerWaalsContact O-N 3.15Å; R386-R406 PolarHBondContact O-N 2.74Å; R386-E412 IonicContact NH2-OE1 3.91Å; R386-E412 PolarHBondContact NH2-OE1 3.09Å; R386-E412 VanDerWaalsContact NH2-OE1 3.11Å
387	F	94.1	Very high	95.1	Very high	37 Å²	37	36.7 Å²	36.7	16%	0.162	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	153.1	-178.5	-58.8	-93.6	0	0	0	111.1	V46 F53 F384 L385 A403 T404 P405 R406	V46-F387 HydrophobicContact CB-CE1 4.36Å; V46-F387 HydrophobicContact CG1-CE1 4.2Å; V46-F387 HydrophobicContact CG2-CE1 4.3Å; F53-F387 HydrophobicContact CZ-CD1 4.27Å; F53-F387 AromaticContact CZ-CE1 3.85Å; F53-F387 HydrophobicContact CZ-CE1 3.85Å; F53-F387 HydrophobicContact CZ-CE2 4.48Å; F53-F387 AromaticContact CZ-CZ 3.97Å; F53-F387 HydrophobicContact CZ-CZ 3.97Å; F384-F387 HydrophobicContact CD1-CB 4.22Å; F384-F387 HydrophobicContact CD1-CD2 4.3Å; F384-F387 HydrophobicContact CD1-CG 4.42Å; F384-F387 CarbonylContact O-C 3.55Å; F384-F387 WeakPolarHBondContact O-CA 3.35Å; F384-F387 PolarHBondContact O-N 3.29Å; L385-F387 PolarHBondContact O-N 3.31Å; F387-A403 HydrophobicContact CB-CB 3.88Å; F387-A403 HydrophobicContact CG-CB 4.44Å; F387-T404 CarbonylContact C-O 3.48Å; F387-T404 VanDerWaalsContact CA-O 3.23Å; F387-T404 WeakPolarHBondContact CA-O 3.13Å; F387-P405 HydrophobicContact CD1-CG 4.32Å; F387-P405 HydrophobicContact CE1-CG 4.14Å; F387-R406 PolarHBondContact O-NE 3.32Å; F387-R406 PolarHBondContact O-NH2 2.96Å
388	A	95.1	Very high	95.1	Very high	22 Å²	22	33.2 Å²	33.2	18%	0.182	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	115.7	161	0	0	0	0	0	107.9	A403 T404 R406	A388-A403 CarbonylContact O-C 3.57Å; A388-A403 VanDerWaalsContact O-CA 3.25Å; A388-A403 WeakPolarHBondContact O-CA 3.14Å; A388-T404 PolarHBondContact N-O 3.14Å; A388-T404 PolarHBondContact O-N 2.85Å; A388-T404 PolarHBondContact O-OG1 3.28Å; A388-R406 HydrophobicContact CB-CG 4.44Å
389	V	96.6	Very high	95.2	Very high	5 Å²	5	32.8 Å²	32.8	3%	0.03	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	138.5	171.5	178.8	0	0	0	0	108.8	M348 G352 L354 F384 I392 V401 A403	M348-V389 HydrophobicContact CG-CG1 4.44Å; M348-V389 HydrophobicContact SD-CB 4.28Å; M348-V389 HydrophobicContact SD-CG1 3.81Å; G352-V389 PolarHBondContact O-N 2.84Å; L354-V389 HydrophobicContact CB-CG2 4.06Å; F384-V389 HydrophobicContact CB-CG2 4.09Å; F384-V389 HydrophobicContact CD1-CG2 3.98Å; F384-V389 HydrophobicContact CG-CG2 4.02Å; V389-I392 HydrophobicContact CG1-CD1 4.26Å; V389-I392 HydrophobicContact CG1-CG1 3.78Å; V389-V401 HydrophobicContact CB-CG1 4.31Å; V389-V401 HydrophobicContact CG1-CG1 3.5Å; V389-V401 VanDerWaalsContact CG1-CG1 3.5Å; V389-V401 HydrophobicContact CG2-CG1 3.87Å; V389-A403 HydrophobicContact CG2-CB 4.03Å
390	Q	95.6	Very high	95.2	Very high	90 Å²	90	30.8 Å²	30.8	42%	0.421	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	-35.7	-176.1	-59.5	-169.8	6.1	0	0	113.3	F402 T404	Q390-F402 HydrophobicContact CB-CD1 4Å; Q390-F402 HydrophobicContact CB-CE1 4.34Å; Q390-F402 PolarHBondContact N-O 3.12Å; Q390-T404 PolarHBondContact NE2-OG1 2.63Å
391	L	97.2	Very high	95.3	Very high	46 Å²	46	29.2 Å²	29.2	24%	0.241	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	144.2	176.8	-55.4	167.7	0	0	0	109.7	P75 L78 V401 F402	P75-L391 HydrophobicContact CB-CD1 4.23Å; L78-L391 HydrophobicContact CD1-CB 3.61Å; L78-L391 HydrophobicContact CG-CB 3.91Å; L78-L391 HydrophobicContact CG-CD1 4.16Å; L391-V401 WeakPolarHBondContact O-CA 3.4Å; L391-F402 HydrophobicContact CB-CB 4.11Å; L391-F402 HydrophobicContact CD1-CB 4.46Å; L391-F402 HydrophobicContact CD1-CD1 4.08Å; L391-F402 HydrophobicContact CG-CD1 4.3Å; L391-F402 PolarHBondContact N-O 3.34Å; L391-F402 PolarHBondContact O-N 3.45Å
392	I	97.6	Very high	95.4	Very high	9 Å²	9	29.4 Å²	29.4	5%	0.046	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	139.3	177.3	-53	159.9	0	0	0	108.2	A346 M348 L354 V389 M399 L400	A346-I392 HydrophobicContact CB-CG2 3.8Å; M348-I392 HydrophobicContact CB-CD1 3.72Å; M348-I392 HydrophobicContact CG-CD1 4.19Å; M348-I392 HydrophobicContact SD-CD1 4.21Å; M348-I392 HydrophobicContact SD-CG1 4.49Å; L354-I392 HydrophobicContact CD1-CD1 3.46Å; L354-I392 VanDerWaalsContact CD1-CD1 3.46Å; L354-I392 HydrophobicContact CD1-CG1 4.06Å; V389-I392 HydrophobicContact CG1-CD1 4.26Å; V389-I392 HydrophobicContact CG1-CG1 3.78Å; I392-M399 HydrophobicContact CG2-CG 4.48Å; I392-M399 HydrophobicContact CG2-SD 4.42Å; I392-L400 WeakPolarHBondContact CA-O 3.43Å
393	A	98	Very high	95.6	Very high	5 Å²	5	26.8 Å²	26.8	4%	0.041	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	124.8	166.5	0	0	0	0	0	110.8	L78 C80 M399 L400	L78-A393 HydrophobicContact CB-CB 3.75Å; C80-A393 HydrophobicContact CB-CB 4.06Å; C80-A393 WeakPolarHBondContact SG-CB 3.42Å; C80-A393 PolarHBondContact SG-O 3.2Å; A393-M399 WeakPolarHBondContact O-CA 3.42Å; A393-L400 PolarHBondContact N-O 3.22Å; A393-L400 PolarHBondContact O-N 2.87Å
394	C	98.1	Very high	95.9	Very high	8 Å²	8	23.9 Å²	23.9	5%	0.054	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	128.5	179.3	-72.7	0	0	0	0	110.6	S339 C340 G341 H344 A346	S339-C394 PolarHBondContact OG-N 3.03Å; C340-C394 VanDerWaalsContact C-CB 3.49Å; G341-C394 VanDerWaalsContact N-CB 3.29Å; H344-C394 PolarHBondContact NE2-SG 2.89Å; H344-C394 VanDerWaalsContact NE2-SG 3.39Å; A346-C394 VanDerWaalsContact CB-SG 3.55Å
395	G	97	Very high	95.9	Very high	2 Å²	2	25 Å²	25	2%	0.021	12%	0.124	C	C	.	.			trans	-106	-167.2	174.9	0	0	0	0	0	112.6	G81 G341 H344 H398	G81-G395 CarbonylContact O-C 3.24Å; G81-G395 WeakPolarHBondContact O-CA 3.43Å; G341-G395 WeakPolarHBondContact CA-O 3.2Å; H344-G395 PolarHBondContact CE1-O 2.89Å; G395-H398 WeakPolarHBondContact CA-O 3.28Å; G395-H398 PolarHBondContact N-O 2.7Å
396	G	95.9	Very high	95.8	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.01	13%	0.131	C	C	.	.	S	Bend	trans	-65	-60.9	174	0	0	0	0	0	111.7	G81 D82 K364	G81-G396 PolarHBondContact O-N 2.98Å; D82-G396 PolarHBondContact O-N 3.31Å; K364-G396 PolarHBondContact NZ-O 2.61Å
397	C	95.6	Very high	94.8	Very high	23 Å²	23	25.3 Å²	25.3	16%	0.155	13%	0.132	C	C	.	.	S	Bend	trans	-104.7	2.9	-174.2	64.4	0	0	0	0	115.4	K57 D82	K57-C397 HydrophobicContact CB-CB 3.98Å; K57-C397 HydrophobicContact CD-CB 4.36Å; K57-C397 PolarHBondContact N-O 3.11Å; D82-C397 PolarHBondContact O-N 2.7Å; D82-C397 PolarHBondContact O-SG 3.28Å
398	H	96.9	Very high	93	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	168.3	-169.4	66.9	-83.2	0	0	0	113.6	F55 T58 G81 D82 E83 H84 H344 G395	F55-H398 CarbonylContact O-C 3.53Å; F55-H398 VanDerWaalsContact O-CA 3.25Å; F55-H398 WeakPolarHBondContact O-CA 3.41Å; F55-H398 WeakPolarHBondContact O-CB 3.24Å; T58-H398 HydrophobicContact CG2-CB 3.67Å; G81-H398 PolarHBondContact O-NE2 2.74Å; D82-H398 PolarHBondContact O-CE1 3.31Å; D82-H398 PolarHBondContact O-NE2 2.92Å; E83-H398 VanDerWaalsContact C-NE2 3.25Å; E83-H398 WeakPolarHBondContact CA-NE2 3.23Å; E83-H398 PolarHBondContact N-NE2 2.92Å; H84-H398 PolarHBondContact N-NE2 3.22Å; H84-H398 PolarHBondContact O-NE2 2.8Å; H344-H398 PolarHBondContact CE1-O 3.42Å; G395-H398 WeakPolarHBondContact CA-O 3.28Å; G395-H398 PolarHBondContact N-O 2.7Å
399	M	97.5	Very high	90.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	142.2	173.2	-176.6	177.9	71.2	0	0	110	F55 A346 L354 T356 K364 I392 A393 V401	F55-M399 HydrophobicContact CB-CB 4.47Å; F55-M399 HydrophobicContact CD2-CE 3.7Å; F55-M399 HydrophobicContact CE2-CE 4.2Å; F55-M399 HydrophobicContact CG-CE 4.4Å; F55-M399 PolarHBondContact N-O 2.89Å; F55-M399 PolarHBondContact O-N 3.13Å; A346-M399 HydrophobicContact CB-SD 4.18Å; L354-M399 HydrophobicContact CD2-CE 4.34Å; T356-M399 HydrophobicContact CG2-CE 4.2Å; T356-M399 HydrophobicContact CG2-SD 4.02Å; K364-M399 WeakPolarHBondContact O-CB 3.44Å; K364-M399 VanDerWaalsContact O-CE 3.29Å; K364-M399 WeakPolarHBondContact O-CE 3.42Å; I392-M399 HydrophobicContact CG2-CG 4.48Å; I392-M399 HydrophobicContact CG2-SD 4.42Å; A393-M399 WeakPolarHBondContact O-CA 3.42Å; M399-V401 HydrophobicContact CE-CG2 3.76Å; M399-V401 HydrophobicContact CG-CG2 4.3Å; M399-V401 HydrophobicContact SD-CG2 4.32Å
400	L	97.3	Very high	88	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	144.9	168.1	-97.9	76.2	0	0	0	111.1	V52 F53 T54 T58 L78 T85 I87 F97 I392 A393	V52-L400 HydrophobicContact CG1-CD2 3.65Å; V52-L400 HydrophobicContact CG1-CG 4.1Å; F53-L400 WeakPolarHBondContact O-CA 3.35Å; T54-L400 HydrophobicContact CG2-CD1 4.08Å; T54-L400 HydrophobicContact CG2-CG 4.16Å; T58-L400 HydrophobicContact CG2-CD1 3.9Å; L78-L400 HydrophobicContact CD1-CB 4.3Å; L78-L400 HydrophobicContact CD2-CD2 4.24Å; T85-L400 HydrophobicContact CG2-CD1 3.66Å; T85-L400 HydrophobicContact CG2-CD2 3.43Å; T85-L400 VanDerWaalsContact CG2-CD2 3.43Å; T85-L400 HydrophobicContact CG2-CG 4.14Å; I87-L400 HydrophobicContact CD1-CD2 3.79Å; I87-L400 HydrophobicContact CG1-CD2 4.11Å; F97-L400 HydrophobicContact CE1-CD2 4.47Å; F97-L400 HydrophobicContact CZ-CD1 4.24Å; F97-L400 HydrophobicContact CZ-CD2 4.12Å; I392-L400 WeakPolarHBondContact CA-O 3.43Å; A393-L400 PolarHBondContact N-O 3.22Å; A393-L400 PolarHBondContact O-N 2.87Å
401	V	97.7	Very high	85.4	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	126.7	176.2	-174.4	0	0	0	0	108.8	F53 F55 L354 F384 V389 L391 M399	F53-V401 HydrophobicContact CB-CB 4.47Å; F53-V401 PolarHBondContact N-O 3Å; F53-V401 PolarHBondContact O-N 3.09Å; F55-V401 HydrophobicContact CD2-CG2 4.32Å; F55-V401 HydrophobicContact CE2-CB 4.44Å; F55-V401 HydrophobicContact CE2-CG2 3.98Å; L354-V401 HydrophobicContact CD2-CG1 4.31Å; L354-V401 HydrophobicContact CD2-CG2 3.93Å; F384-V401 HydrophobicContact CE1-CB 4.44Å; F384-V401 HydrophobicContact CE1-CG1 3.98Å; F384-V401 HydrophobicContact CE2-CB 4.47Å; F384-V401 HydrophobicContact CE2-CG1 4.32Å; F384-V401 HydrophobicContact CE2-CG2 4.35Å; F384-V401 HydrophobicContact CZ-CB 3.92Å; F384-V401 HydrophobicContact CZ-CG1 3.83Å; F384-V401 HydrophobicContact CZ-CG2 4.26Å; V389-V401 HydrophobicContact CB-CG1 4.31Å; V389-V401 HydrophobicContact CG1-CG1 3.5Å; V389-V401 VanDerWaalsContact CG1-CG1 3.5Å; V389-V401 HydrophobicContact CG2-CG1 3.87Å; L391-V401 WeakPolarHBondContact O-CA 3.4Å; M399-V401 HydrophobicContact CE-CG2 3.76Å; M399-V401 HydrophobicContact CG-CG2 4.3Å; M399-V401 HydrophobicContact SD-CG2 4.32Å
402	F	97.4	Very high	83	Confident	5 Å²	5	43.7 Å²	43.7	2%	0.022	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	126.9	166.4	173.3	-121.4	0	0	0	109.3	T49 A51 V52 P75 L78 Q390 L391 T404	T49-F402 VanDerWaalsContact O-CZ 3.32Å; T49-F402 WeakPolarHBondContact O-CZ 3.2Å; A51-F402 WeakPolarHBondContact O-CD2 3.41Å; V52-F402 HydrophobicContact CG2-CD2 4.33Å; P75-F402 HydrophobicContact CB-CB 4.48Å; P75-F402 HydrophobicContact CB-CD1 4.33Å; P75-F402 HydrophobicContact CB-CD2 4.4Å; P75-F402 HydrophobicContact CB-CG 4.15Å; P75-F402 HydrophobicContact CG-CB 4.42Å; P75-F402 HydrophobicContact CG-CD1 4.38Å; P75-F402 HydrophobicContact CG-CD2 3.64Å; P75-F402 HydrophobicContact CG-CE2 3.96Å; P75-F402 HydrophobicContact CG-CG 3.89Å; P75-F402 HydrophobicContact CG-CZ 4.45Å; L78-F402 HydrophobicContact CD1-CB 4.01Å; Q390-F402 HydrophobicContact CB-CD1 4Å; Q390-F402 HydrophobicContact CB-CE1 4.34Å; Q390-F402 PolarHBondContact N-O 3.12Å; L391-F402 HydrophobicContact CB-CB 4.11Å; L391-F402 HydrophobicContact CD1-CB 4.46Å; L391-F402 HydrophobicContact CD1-CD1 4.08Å; L391-F402 HydrophobicContact CG-CD1 4.3Å; L391-F402 PolarHBondContact N-O 3.34Å; L391-F402 PolarHBondContact O-N 3.45Å; F402-T404 HydrophobicContact CZ-CG2 4.23Å
403	A	96.1	Very high	80.5	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	140.2	-176.5	0	0	0	0	0	112.9	G50 A51 F53 F384 F387 A388 V389	G50-A403 WeakPolarHBondContact CA-O 3.19Å; A51-A403 PolarHBondContact N-O 3.11Å; A51-A403 PolarHBondContact O-N 3.28Å; A51-A403 VanDerWaalsContact O-N 3.1Å; F53-A403 HydrophobicContact CD2-CB 4.37Å; F53-A403 HydrophobicContact CE2-CB 4.05Å; F384-A403 HydrophobicContact CD1-CB 3.99Å; F384-A403 HydrophobicContact CE1-CB 3.99Å; F387-A403 HydrophobicContact CB-CB 3.88Å; F387-A403 HydrophobicContact CG-CB 4.44Å; A388-A403 CarbonylContact O-C 3.57Å; A388-A403 VanDerWaalsContact O-CA 3.25Å; A388-A403 WeakPolarHBondContact O-CA 3.14Å; V389-A403 HydrophobicContact CG2-CB 4.03Å
404	T	94.4	Very high	77.8	Confident	23 Å²	23	53.9 Å²	53.9	14%	0.141	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	140	178.7	50.4	0	0	0	0	111.4	F387 A388 Q390 F402	F387-T404 CarbonylContact C-O 3.48Å; F387-T404 VanDerWaalsContact CA-O 3.23Å; F387-T404 WeakPolarHBondContact CA-O 3.13Å; A388-T404 PolarHBondContact N-O 3.14Å; A388-T404 PolarHBondContact O-N 2.85Å; A388-T404 PolarHBondContact O-OG1 3.28Å; Q390-T404 PolarHBondContact NE2-OG1 2.63Å; F402-T404 HydrophobicContact CZ-CG2 4.23Å
405	P	93.7	Very high	75.5	Confident	31 Å²	31	56.5 Å²	56.5	20%	0.201	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.7	142.1	170.6	-24.2	33.6	0	0	0	111.9	V46 F387 L407	V46-P405 HydrophobicContact CB-CG 4.27Å; V46-P405 HydrophobicContact CG1-CG 3.92Å; F387-P405 HydrophobicContact CD1-CG 4.32Å; F387-P405 HydrophobicContact CE1-CG 4.14Å; P405-L407 PolarHBondContact O-N 2.66Å
406	R	89.1	Confident	72.8	Confident	91 Å²	91	61.9 Å²	61.9	34%	0.343	33%	0.333	S	S	.	.			trans	-77.8	101.9	175	-66.3	-174.7	-171.6	-96.2	-5.5	110.1	L351 G352 L385 R386 F387 A388 G408	L351-R406 VanDerWaalsContact O-CZ 3.31Å; L351-R406 PolarHBondContact O-NH1 3.35Å; L351-R406 PolarHBondContact O-NH2 2.95Å; G352-R406 PolarHBondContact O-NH2 2.79Å; G352-R406 VanDerWaalsContact O-NH2 3.1Å; L385-R406 PolarHBondContact O-NE 2.84Å; R386-R406 PolarHBondContact O-N 2.74Å; F387-R406 PolarHBondContact O-NE 3.32Å; F387-R406 PolarHBondContact O-NH2 2.96Å; A388-R406 HydrophobicContact CB-CG 4.44Å; R406-G408 PolarHBondContact O-N 3.14Å
407	L	69.7	Low	70.3	Confident	133 Å²	133	68.6 Å²	68.6	70%	0.696	37%	0.369	S	S	*	.			trans	-77	84.2	178.9	-63.6	176	0	0	0	111.6	D48 P405	D48-L407 HydrophobicContact CB-CD1 4.27Å; D48-L407 HydrophobicContact CB-CD2 4.5Å; P405-L407 PolarHBondContact O-N 2.66Å
408	G	56.1	Low	68.1	Low	60 Å²	60	70.5 Å²	70.5	62%	0.619	38%	0.379	S	S	*	.	S	Bend	trans	168.1	141.9	173.2	0	0	0	0	0	114.3	R406 I410	R406-G408 PolarHBondContact O-N 3.14Å; G408-I410 PolarHBondContact O-N 3.16Å
409	T	41.5	Very low	65.7	Low	143 Å²	143	77.6 Å²	77.6	88%	0.877	41%	0.407	S	S	*	.			trans	-41.7	120.8	177.5	47.8	0	0	0	0	115.3
410	I	46.1	Very low	62.8	Low	81 Å²	81	83.6 Å²	83.6	42%	0.415	44%	0.435	S	S	.	.			trans	-140.1	112.1	148.1	-93.9	161	0	0	0	105.4	G408 K414 F415	G408-I410 PolarHBondContact O-N 3.16Å; I410-K414 HydrophobicContact CD1-CB 3.74Å; I410-K414 HydrophobicContact CD1-CD 4.14Å; I410-K414 HydrophobicContact CD1-CG 4.4Å; I410-K414 HydrophobicContact CG1-CB 3.98Å; I410-K414 HydrophobicContact CG1-CD 4.05Å; I410-K414 HydrophobicContact CG1-CG 4.25Å; I410-K414 HydrophobicContact CG2-CB 4.39Å; I410-F415 HydrophobicContact CD1-CE2 4.09Å
411	D	39.9	Very low	59.9	Low	149 Å²	149	88.4 Å²	88.4	80%	0.797	47%	0.466	S	S	*	.			trans	-59.7	140.6	147.4	-61.8	-77.9	0	0	0	106.5	P413	D411-P413 VanDerWaalsContact C-N 3.3Å; D411-P413 VanDerWaalsContact O-CD 3.25Å; D411-P413 WeakPolarHBondContact O-CD 3.27Å
412	E	48	Very low	57.2	Low	153 Å²	153	97 Å²	97	72%	0.715	50%	0.5	S	S	*	.	S	Bend	trans	-65	86.9	175.2	-63.9	175.8	167.1	0	0	108.6	R386	R386-E412 IonicContact NH2-OE1 3.91Å; R386-E412 PolarHBondContact NH2-OE1 3.09Å; R386-E412 VanDerWaalsContact NH2-OE1 3.11Å
413	P	45.3	Very low	54.5	Low	87 Å²	87	103 Å²	103	57%	0.565	53%	0.531	S	S	*	.				-148.2	109.1	95.4	35.9	-15.6	0	0	0	114.6	D411 E416	D411-P413 VanDerWaalsContact C-N 3.3Å; D411-P413 VanDerWaalsContact O-CD 3.25Å; D411-P413 WeakPolarHBondContact O-CD 3.27Å; P413-E416 WeakPolarHBondContact CA-OE2 3.39Å
414	K	39.9	Very low	51.2	Low	141 Å²	141	108.7 Å²	108.7	61%	0.613	57%	0.571	S	S	*	*	S	Bend	trans	-150.8	3.6	165.3	-81.8	-155.4	179.7	-177.1	0	114.3	I410 E416	I410-K414 HydrophobicContact CD1-CB 3.74Å; I410-K414 HydrophobicContact CD1-CD 4.14Å; I410-K414 HydrophobicContact CD1-CG 4.4Å; I410-K414 HydrophobicContact CG1-CB 3.98Å; I410-K414 HydrophobicContact CG1-CD 4.05Å; I410-K414 HydrophobicContact CG1-CG 4.25Å; I410-K414 HydrophobicContact CG2-CB 4.39Å; K414-E416 PolarHBondContact N-OE2 3.05Å
415	F	49.4	Very low	48.2	Very low	64 Å²	64	114.5 Å²	114.5	28%	0.281	61%	0.606	S	S	.	*	S	Bend	trans	-107.3	-14.2	175.1	-77.8	-81	0	0	0	112	L385 I410 D417 V418	L385-F415 HydrophobicContact CD2-CD1 3.85Å; L385-F415 HydrophobicContact CD2-CE1 4.09Å; I410-F415 HydrophobicContact CD1-CE2 4.09Å; F415-D417 VanDerWaalsContact C-N 3.26Å; F415-D417 PolarHBondContact O-N 3.16Å; F415-V418 PolarHBondContact O-N 3.09Å; F415-V418 VanDerWaalsContact O-N 3.16Å
416	E	42.2	Very low	45.1	Very low	114 Å²	114	116.6 Å²	116.6	53%	0.533	63%	0.633	S	S	.	*	G	3₁₀ helix	trans	-54.8	-39.3	167.5	-75.5	67.4	-158.7	0	0	112.3	P413 K414 V418 Y419	P413-E416 WeakPolarHBondContact CA-OE2 3.39Å; K414-E416 PolarHBondContact N-OE2 3.05Å; E416-V418 PolarHBondContact O-N 3.1Å; E416-V418 VanDerWaalsContact O-N 3.1Å; E416-Y419 WeakPolarHBondContact O-CB 3.18Å; E416-Y419 PolarHBondContact O-N 3.34Å
417	D	43	Very low	42.5	Very low	143 Å²	143	117.5 Å²	117.5	77%	0.765	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-66.8	-11.5	179.9	-61.4	-32.1	0	0	0	113.5	F415	F415-D417 VanDerWaalsContact C-N 3.26Å; F415-D417 PolarHBondContact O-N 3.16Å
418	V	49.7	Very low	40.5	Very low	62 Å²	62	121.2 Å²	121.2	38%	0.376	66%	0.664	S	S	.	*	G	3₁₀ helix	trans	-95.6	-5.5	174.2	-169.7	0	0	0	0	111.4	F415 E416	F415-V418 PolarHBondContact O-N 3.09Å; F415-V418 VanDerWaalsContact O-N 3.16Å; E416-V418 PolarHBondContact O-N 3.1Å; E416-V418 VanDerWaalsContact O-N 3.1Å
419	Y	46.1	Very low	39.1	Very low	150 Å²	150	123.3 Å²	123.3	59%	0.588	67%	0.67	S	S	*	*	S	Bend	trans	-98.4	-11.7	-169.4	-109.6	-86.3	0	0	0	115.7	L380 E416	L380-Y419 HydrophobicContact CD2-CE2 4.5Å; E416-Y419 WeakPolarHBondContact O-CB 3.18Å; E416-Y419 PolarHBondContact O-N 3.34Å
420	E	36.6	Very low	38.5	Very low	126 Å²	126	124.3 Å²	124.3	59%	0.589	67%	0.668	S	S	*	*			trans	-119.1	123.3	172	-67.5	-159.8	157	0	0	111.9
421	P	35.1	Very low	37.6	Very low	101 Å²	101	127.6 Å²	127.6	66%	0.656	69%	0.686	S	S	*	*	S	Bend		-131.9	27.2	111.4	38.2	-31.2	0	0	0	114.3
422	Y	41.5	Very low	37	Very low	180 Å²	180	127.3 Å²	127.3	71%	0.706	69%	0.685	S	S	*	*	S	Bend	trans	-133	27.9	-173.8	-71	-67.2	0	0	0	117.1
423	I	41.3	Very low	36.1	Very low	132 Å²	132	126.7 Å²	126.7	68%	0.677	69%	0.686	S	S	*	*			trans	-122.5	83.2	165.5	-52.8	-175.2	0	0	0	111.8
424	S	27.4	Very low	35.2	Very low	119 Å²	119	127.8 Å²	127.8	83%	0.832	70%	0.696	S	S	*	*			trans	-153.9	146	156.3	-89.1	0	0	0	0	107.9
425	T	30.9	Very low	35.2	Very low	144 Å²	144	127.2 Å²	127.2	88%	0.883	71%	0.706	S	S	*	*	S	Bend	cis	-129.9	160.3	29.4	54.7	0	0	0	0	113.5
426	G	27.8	Very low	34	Very low	75 Å²	75	135.2 Å²	135.2	77%	0.773	73%	0.734	S	S	*	*			trans	149.5	45.2	164.4	0	0	0	0	0	118.4	F428	G426-F428 PolarHBondContact O-N 3.36Å
427	S	34.5	Very low	33.7	Very low	110 Å²	110	135.3 Å²	135.3	77%	0.769	75%	0.748	S	S	*	*			trans	-75.3	122.1	176.5	179.3	0	0	0	0	112.8
428	F	27.5	Very low	33	Very low	211 Å²	211	133.9 Å²	133.9	93%	0.925	75%	0.749	S	S	*	*			trans	-140.6	133	151.2	-81.8	-73.3	0	0	0	109.7	G426	G426-F428 PolarHBondContact O-N 3.36Å
429	S	28.3	Very low	32.2	Very low	104 Å²	104	139 Å²	139	73%	0.727	77%	0.773	S	S	*	*			trans	-110.1	137.8	178.2	179.9	0	0	0	0	110.5
430	I	28.1	Very low	31.7	Very low	165 Å²	165	138.6 Å²	138.6	85%	0.846	78%	0.782	S	S	*	*			trans	-169.8	138.6	152.9	-101	150.4	0	0	0	108.3
431	N	28.3	Very low	31.8	Very low	149 Å²	149	144.4 Å²	144.4	80%	0.797	80%	0.798	S	S	*	*			trans	-83.6	135.6	169.6	-57.5	-61	0	0	0	109.5
432	D	26.1	Very low	32.1	Very low	144 Å²	144	144.4 Å²	144.4	77%	0.77	80%	0.8	S	S	*	*				-176.7	164.1	105.2	-132.5	-29.7	0	0	0	115.2
433	L	30.2	Very low	32.2	Very low	139 Å²	139	138.1 Å²	138.1	73%	0.728	78%	0.779	S	S	*	*			trans	52.1	100.7	155.4	-63.1	178.9	0	0	0	122.6
434	S	25.6	Very low	32.9	Very low	111 Å²	111	135 Å²	135	78%	0.776	77%	0.768	S	S	*	*			trans	82.3	144.1	130.6	-61.9	0	0	0	0	121.1
435	P	39.8	Very low	33.7	Very low	128 Å²	128	132.4 Å²	132.4	83%	0.831	76%	0.755	S	S	*	*			trans	-93.5	131	-164.6	35.4	-34.8	0	0	0	114.5
436	R	24	Very low	34.7	Very low	232 Å²	232	134.9 Å²	134.9	88%	0.875	75%	0.748	S	S	*	*			trans	-149.1	101.7	165.5	-151.9	169.1	-178.7	-179.3	-2.3	113	S438	R436-S438 PolarHBondContact O-N 3.17Å
437	S	36.2	Very low	35.9	Very low	116 Å²	116	135.2 Å²	135.2	81%	0.811	73%	0.732	S	S	*	*			trans	3.1	102.6	163.4	58.2	0	0	0	0	118.5
438	S	28.6	Very low	37.3	Very low	113 Å²	113	136.8 Å²	136.8	79%	0.79	72%	0.72	S	S	*	*			trans	-149.8	81.2	166.4	-79.8	0	0	0	0	113.1	R436	R436-S438 PolarHBondContact O-N 3.17Å
439	L	33.2	Very low	38.5	Very low	170 Å²	170	135.8 Å²	135.8	89%	0.89	71%	0.711	S	S	*	*			trans	47.2	116	150.3	-60.7	171.7	0	0	0	120.9	R441	L439-R441 PolarHBondContact O-N 3.36Å
440	N	34.3	Very low	40.2	Very low	142 Å²	142	139.5 Å²	139.5	76%	0.759	71%	0.709	S	S	*	*			trans	-58.2	123.5	162.5	-64.9	-20.6	0	0	0	111.7	S442	N440-S442 PolarHBondContact O-N 3.28Å
441	R	39.4	Very low	41.1	Very low	247 Å²	247	137.2 Å²	137.2	93%	0.932	70%	0.695	S	S	*	*	S	Bend	trans	-96.7	38.6	177.9	-153.3	-170.9	-168.9	-137.9	4.8	113.7	L439	L439-R441 PolarHBondContact O-N 3.36Å
442	S	40.7	Very low	42	Very low	101 Å²	101	141 Å²	141	71%	0.706	70%	0.698	S	S	*	*			trans	-127.3	3.7	-174.2	52.7	0	0	0	0	115.5	N440	N440-S442 PolarHBondContact O-N 3.28Å
443	L	44.9	Very low	42.6	Very low	48 Å²	48	141.8 Å²	141.8	25%	0.251	70%	0.697	S	S	.	*			trans	-84.2	135.9	177.3	-62.1	-179	0	0	0	112.3	L447 R448 E451	L443-L447 HydrophobicContact CB-CB 4.18Å; L443-L447 HydrophobicContact CD2-CD1 4.23Å; L443-R448 HydrophobicContact CB-CG 4.07Å; L443-R448 VanDerWaalsContact O-CZ 3.24Å; L443-R448 PolarHBondContact O-NE 3.43Å; L443-R448 PolarHBondContact O-NH2 3.49Å; L443-E451 WeakPolarHBondContact CD1-OE2 3.41Å
444	S	55.1	Low	42.8	Very low	66 Å²	66	145 Å²	145	46%	0.462	70%	0.699	S	S	.	*			trans	-65.4	157.8	172.5	72.3	0	0	0	0	111.9	R446 L447 R448	S444-R446 PolarHBondContact O-N 2.97Å; S444-R446 VanDerWaalsContact O-N 3.16Å; S444-L447 PolarHBondContact O-N 2.95Å; S444-R448 PolarHBondContact O-N 2.96Å; S444-R448 VanDerWaalsContact O-N 3.13Å
445	A	43.4	Very low	43.2	Very low	66 Å²	66	145.4 Å²	145.4	55%	0.545	70%	0.699	S	S	.	*	H	α-helix	trans	-58.1	-31.6	-177.8	0	0	0	0	0	113.3	R449	A445-R449 PolarHBondContact O-N 3.33Å
446	R	53.1	Low	43	Very low	196 Å²	196	145.3 Å²	145.3	74%	0.74	70%	0.698	S	S	*	*	H	α-helix	trans	-68.7	-34.1	177.1	-154.6	174.2	-168.6	178.1	3.7	112.3	S444 R450	S444-R446 PolarHBondContact O-N 2.97Å; S444-R446 VanDerWaalsContact O-N 3.16Å; R446-R450 PolarHBondContact O-N 3.38Å
447	L	53.2	Low	43.2	Very low	82 Å²	82	140.5 Å²	140.5	43%	0.429	70%	0.699	S	S	.	*	H	α-helix	trans	-72.8	-44.4	174.2	-92.1	155.4	0	0	0	112.1	L443 S444 R449 R450 E451	L443-L447 HydrophobicContact CB-CB 4.18Å; L443-L447 HydrophobicContact CD2-CD1 4.23Å; S444-L447 PolarHBondContact O-N 2.95Å; L447-R449 PolarHBondContact O-N 3.35Å; L447-R450 PolarHBondContact O-N 3.19Å; L447-E451 PolarHBondContact O-N 2.88Å
448	R	62.9	Low	43.1	Very low	142 Å²	142	140.4 Å²	140.4	54%	0.536	70%	0.698	S	S	.	*	H	α-helix	trans	-60.5	-31	178.5	-60.1	-179.3	-151.7	169	6.8	113.4	L443 S444	L443-R448 HydrophobicContact CB-CG 4.07Å; L443-R448 VanDerWaalsContact O-CZ 3.24Å; L443-R448 PolarHBondContact O-NE 3.43Å; L443-R448 PolarHBondContact O-NH2 3.49Å; S444-R448 PolarHBondContact O-N 2.96Å; S444-R448 VanDerWaalsContact O-N 3.13Å
449	R	53.7	Low	43.3	Very low	191 Å²	191	140.1 Å²	140.1	72%	0.721	70%	0.702	S	S	*	*	H	α-helix	trans	-69	-47.8	171.8	-73.2	179.2	176.3	160.7	-0.3	111.2	A445 L447 E451 R452	A445-R449 PolarHBondContact O-N 3.33Å; L447-R449 PolarHBondContact O-N 3.35Å; R449-E451 VanDerWaalsContact C-N 3.3Å; R449-E451 PolarHBondContact O-N 2.8Å; R449-R452 PolarHBondContact O-N 3.14Å; R449-R452 VanDerWaalsContact O-N 3.12Å
450	R	64.4	Low	43.2	Very low	181 Å²	181	137.1 Å²	137.1	68%	0.683	70%	0.696	S	S	*	*	H	α-helix	trans	-61.9	-29.3	177.8	-74.7	-179.7	169.2	-176.6	-3.9	114.3	R446 L447	R446-R450 PolarHBondContact O-N 3.38Å; L447-R450 PolarHBondContact O-N 3.19Å
451	E	45	Very low	42.9	Very low	118 Å²	118	138.5 Å²	138.5	55%	0.551	70%	0.7	S	S	*	*	H	α-helix	trans	-74.5	-28	174.5	-72.3	-166.3	127.8	0	0	114	L443 L447 R449 E453	L443-E451 WeakPolarHBondContact CD1-OE2 3.41Å; L447-E451 PolarHBondContact O-N 2.88Å; R449-E451 VanDerWaalsContact C-N 3.3Å; R449-E451 PolarHBondContact O-N 2.8Å; E451-E453 VanDerWaalsContact C-N 3.33Å; E451-E453 PolarHBondContact O-N 3.41Å
452	R	48.3	Very low	42.7	Very low	229 Å²	229	133.8 Å²	133.8	86%	0.864	70%	0.698	S	S	*	*	H	α-helix	trans	-77.6	-14.4	179.8	-78.7	-170.9	173	-163.8	-1.8	114.3	R449	R449-R452 PolarHBondContact O-N 3.14Å; R449-R452 VanDerWaalsContact O-N 3.12Å
453	E	37.5	Very low	42.2	Very low	160 Å²	160	132.1 Å²	132.1	75%	0.748	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.5	24.3	-173	-67	-179.6	-179.4	0	0	113.8	E451 P455	E451-E453 VanDerWaalsContact C-N 3.33Å; E451-E453 PolarHBondContact O-N 3.41Å; E453-P455 VanDerWaalsContact O-CD 3.3Å; E453-P455 WeakPolarHBondContact O-CD 3.42Å
454	R	35.8	Very low	41.5	Very low	207 Å²	207	136.8 Å²	136.8	78%	0.781	73%	0.727	S	S	*	*			trans	-84.8	112.9	169.1	-80.7	-176.6	168	164.8	-2.3	111.1
455	P	33.3	Very low	40.3	Very low	118 Å²	118	141.5 Å²	141.5	77%	0.766	75%	0.746	S	S	*	*			trans	-74.3	142.1	175.2	30.8	-34.8	0	0	0	111.7	E453	E453-P455 VanDerWaalsContact O-CD 3.3Å; E453-P455 WeakPolarHBondContact O-CD 3.42Å
456	P	35.6	Very low	40.3	Very low	126 Å²	126	143.6 Å²	143.6	82%	0.818	76%	0.755	S	S	*	*			trans	-91.6	109.5	-178.4	33.4	-32.6	0	0	0	113.1
457	C	29.6	Very low	39.5	Very low	131 Å²	131	139.8 Å²	139.8	89%	0.885	76%	0.755	S	S	*	*			trans	-157.3	145.8	163.1	-106	0	0	0	0	109.8
458	S	32.7	Very low	38.4	Very low	115 Å²	115	143.1 Å²	143.1	80%	0.804	77%	0.773	S	S	*	*			cis	-151.4	157.5	-6	60.9	0	0	0	0	111.1
459	A	32.5	Very low	36.7	Very low	106 Å²	106	145.4 Å²	145.4	88%	0.876	79%	0.79	S	S	*	*			trans	-146	145.4	170.3	0	0	0	0	0	109.6
460	S	31.5	Very low	35.5	Very low	107 Å²	107	139.5 Å²	139.5	75%	0.748	79%	0.788	S	S	*	*			trans	-96.3	138.5	-154.4	-165.2	0	0	0	0	116.7
461	M	29.2	Very low	33.8	Very low	171 Å²	171	137.3 Å²	137.3	84%	0.842	80%	0.795	S	S	*	*			trans	20.5	123.1	149.9	-57.1	-179.2	-171.7	0	0	120.9
462	V	33.6	Very low	32.9	Very low	148 Å²	148	137.3 Å²	137.3	90%	0.897	81%	0.808	S	S	*	*				-143.9	142.5	115.5	-178.1	0	0	0	0	107.5
463	G	31.2	Very low	31.8	Very low	66 Å²	66	130.8 Å²	130.8	68%	0.68	80%	0.803	S	S	*	*			trans	-129.6	165.1	176.9	0	0	0	0	0	113.8
464	T	30.1	Very low	31.4	Very low	146 Å²	146	128 Å²	128	90%	0.896	80%	0.801	S	S	*	*			trans	-153.3	163.7	167.7	-29.5	0	0	0	0	109.6
465	L	29.3	Very low	30.9	Very low	165 Å²	165	124.3 Å²	124.3	86%	0.864	80%	0.802	S	S	*	*			trans	-93.3	163.2	-157.3	-69	165.5	0	0	0	115.7
466	P	43.7	Very low	30.7	Very low	110 Å²	110	123.6 Å²	123.6	71%	0.714	80%	0.8	S	S	*	*			trans	-101.7	169.8	-179.7	40.4	-36.2	0	0	0	114.6
467	P	37	Very low	30.4	Very low	117 Å²	117	120.8 Å²	120.8	76%	0.76	79%	0.787	S	S	*	*			trans	-115.5	137.7	138.8	35.1	-26.3	0	0	0	110.5
468	L	29.1	Very low	30.3	Very low	152 Å²	152	124.3 Å²	124.3	80%	0.796	78%	0.783	S	S	*	*				82.5	124.1	55.6	-89.8	164.9	0	0	0	114.8
469	E	28.5	Very low	30	Very low	190 Å²	190	127.3 Å²	127.3	89%	0.888	78%	0.782	S	S	*	*			trans	65	155.6	165	-66.1	174.3	162.7	0	0	117.6
470	G	28.1	Very low	29.7	Very low	66 Å²	66	132.5 Å²	132.5	68%	0.68	78%	0.78	S	S	*	*			cis	170	78.4	-5.1	0	0	0	0	0	114.9
471	T	28.1	Very low	30.4	Very low	135 Å²	135	132.9 Å²	132.9	83%	0.828	78%	0.781	S	S	*	*			trans	54.2	133.3	153.6	-37.8	0	0	0	0	121.3
472	S	26.2	Very low	30.3	Very low	118 Å²	118	130 Å²	130	83%	0.825	78%	0.777	S	S	*	*			trans	82.8	150.3	159.3	85.7	0	0	0	0	117.8
473	A	25.9	Very low	30.3	Very low	92 Å²	92	128.3 Å²	128.3	76%	0.76	77%	0.772	S	S	*	*			cis	-143.9	170.9	3.7	0	0	0	0	0	113.7
474	S	27.4	Very low	31.5	Very low	103 Å²	103	129.9 Å²	129.9	72%	0.72	77%	0.77	S	S	*	*			trans	-41.7	169.1	164.4	-40.8	0	0	0	0	114.7
475	T	26.3	Very low	32.2	Very low	128 Å²	128	129 Å²	129	79%	0.785	77%	0.767	S	S	*	*				176.5	169.4	58.2	-5.5	0	0	0	0	107.8
476	S	28.4	Very low	32.1	Very low	104 Å²	104	130.9 Å²	130.9	73%	0.727	77%	0.769	S	S	*	*			cis	-165.4	174.9	-5.5	-154	0	0	0	0	111.1
477	A	29.2	Very low	31.2	Very low	67 Å²	67	133.5 Å²	133.5	55%	0.554	77%	0.771	S	S	*	*			trans	71.6	141.1	150.2	0	0	0	0	0	118.1
478	Y	27.9	Very low	30.6	Very low	204 Å²	204	135.8 Å²	135.8	80%	0.8	78%	0.776	S	S	*	*			cis	-126.1	177.9	10.6	-70.6	-96.5	0	0	0	110.5
479	F	26.2	Very low	30.4	Very low	179 Å²	179	132.5 Å²	132.5	79%	0.785	77%	0.766	S	S	*	*			cis	-150.4	-158.6	9.7	-135.8	-33.9	0	0	0	111.6
480	Y	25.9	Very low	30.3	Very low	214 Å²	214	130 Å²	130	84%	0.839	76%	0.763	S	S	*	*			trans	-153.7	172.1	178.2	-92.9	-91.6	0	0	0	107.3
481	P	46.3	Very low	30.3	Very low	116 Å²	116	134 Å²	134	75%	0.753	77%	0.769	S	S	*	*			cis	-119.7	-142.4	7.6	38	-16.6	0	0	0	111
482	S	28.3	Very low	30.3	Very low	109 Å²	109	134.3 Å²	134.3	76%	0.762	77%	0.765	S	S	*	*			cis	-162.5	153.2	4.1	30.4	0	0	0	0	112.7
483	S	34.1	Very low	30.5	Very low	113 Å²	113	138.7 Å²	138.7	79%	0.79	77%	0.765	S	S	*	*			trans	-163	-179.4	162.7	60.3	0	0	0	0	107.6
484	P	54.7	Low	31.2	Very low	99 Å²	99	139.9 Å²	139.9	64%	0.643	77%	0.766	S	S	*	*			cis	-121.2	-150.6	-8.2	36.4	-15.4	0	0	0	111.4
485	P	44.6	Very low	31.1	Very low	129 Å²	129	142.1 Å²	142.1	84%	0.838	77%	0.765	S	S	*	*				-144.7	-166	101.7	40.7	-24.9	0	0	0	115.2
486	F	27.3	Very low	31.1	Very low	203 Å²	203	144 Å²	144	89%	0.89	76%	0.762	S	S	*	*			trans	-103	173.5	-165.5	-89.8	-93.4	0	0	0	116.6
487	H	25.6	Very low	30.8	Very low	166 Å²	166	144 Å²	144	77%	0.769	76%	0.762	S	S	*	*			trans	-80.8	151.3	-173.3	-171.8	-84.7	0	0	0	115.5
488	L	25.3	Very low	31.1	Very low	165 Å²	165	145.9 Å²	145.9	86%	0.864	77%	0.769	S	S	*	*			trans	-165.4	171.9	156.9	-113.7	170.1	0	0	0	112.1
489	S	24.4	Very low	31.1	Very low	83 Å²	83	141.1 Å²	141.1	58%	0.58	77%	0.765	S	S	*	*			trans	-152	150.8	-156.4	58.7	0	0	0	0	116.6
490	V	26.3	Very low	30.9	Very low	138 Å²	138	141.1 Å²	141.1	84%	0.836	77%	0.767	S	S	*	*			trans	71.2	150.9	161.9	178.5	0	0	0	0	117.4
491	N	27.3	Very low	30.6	Very low	150 Å²	150	135.9 Å²	135.9	80%	0.802	76%	0.762	S	S	*	*			trans	-138.7	171.9	177.5	-131.2	-16.8	0	0	0	111.6
492	N	27.6	Very low	29.4	Very low	140 Å²	140	138.9 Å²	138.9	75%	0.749	77%	0.768	S	S	*	*			trans	-109.9	169.1	-150.2	-77	-72.6	0	0	0	119.4
493	Y	31.8	Very low	29.4	Very low	210 Å²	210	142.5 Å²	142.5	82%	0.824	77%	0.773	S	S	*	*			trans	-49.9	177.4	170.4	-64.4	-94.9	0	0	0	117.6
494	P	40.9	Very low	29.3	Very low	118 Å²	118	142 Å²	142	77%	0.766	77%	0.767	S	S	*	*				-139.5	148	103.7	38.9	-28.2	0	0	0	117.1
495	E	25.6	Very low	27.8	Very low	150 Å²	150	144.1 Å²	144.1	70%	0.701	77%	0.773	S	S	*	*			trans	60	150.7	160.2	-62	-158.8	135.4	0	0	119.5
496	K	24.9	Very low	27	Very low	166 Å²	166	145 Å²	145	72%	0.722	77%	0.77	S	S	*	*			cis	-148.3	171.4	1.8	-129.4	157.5	-172.6	142.7	0	111.6
497	S	22	Very low	27.1	Very low	105 Å²	105	139.9 Å²	139.9	73%	0.734	76%	0.759	S	S	*	*			trans	-85.5	-177.4	-174.9	62.1	0	0	0	0	113.7
498	P	36.9	Very low	27.2	Very low	107 Å²	107	138 Å²	138	70%	0.695	76%	0.755	S	S	*	*			cis	-139.7	-168.4	3.9	42.5	-22.8	0	0	0	116.4
499	S	26.1	Very low	27.4	Very low	104 Å²	104	139.1 Å²	139.1	73%	0.727	75%	0.749	S	S	*	*			trans	65.4	147.9	159.3	45.6	0	0	0	0	119.2
500	E	22.7	Very low	27.4	Very low	178 Å²	178	144.1 Å²	144.1	83%	0.832	76%	0.761	S	S	*	*			cis	135	121.6	-5.6	177.6	170.1	-128.1	0	0	109.5
501	S	20.1	Very low	27.4	Very low	104 Å²	104	144.8 Å²	144.8	73%	0.727	76%	0.755	S	S	*	*			trans	39.3	108.5	167.6	65.3	0	0	0	0	120.8
502	M	21.6	Very low	27.4	Very low	179 Å²	179	143 Å²	143	88%	0.882	75%	0.745	S	S	*	*				178.2	135.3	114.7	-101.2	-176	179.5	0	0	112.9
503	E	27.4	Very low	27.3	Very low	186 Å²	186	143.1 Å²	143.1	87%	0.869	74%	0.739	S	S	*	*			trans	-80	148.5	138.1	-60.6	179.6	146.4	0	0	106.9
504	P	31.8	Very low	26.8	Very low	102 Å²	102	139.6 Å²	139.6	66%	0.662	73%	0.732	S	S	*	*				-153.7	155.3	93.2	38.4	-20.2	0	0	0	117.8
505	L	24.3	Very low	26	Very low	144 Å²	144	140.4 Å²	140.4	75%	0.754	73%	0.729	S	S	*	*			trans	63.6	124.8	145.4	-65.2	163.5	0	0	0	121.4
506	D	26.6	Very low	25.9	Very low	147 Å²	147	141.4 Å²	141.4	79%	0.786	73%	0.732	S	S	*	*			trans	57.3	148.7	137.2	-46.8	-15.2	0	0	0	119.5
507	S	29.5	Very low	25.9	Very low	95 Å²	95	139.4 Å²	139.4	66%	0.664	73%	0.729	S	S	*	*			cis	-154.7	169.8	6.3	94.2	0	0	0	0	108.6
508	D	29	Very low	26	Very low	127 Å²	127	139.8 Å²	139.8	68%	0.679	73%	0.727	S	S	*	*			cis	-153.4	159	4.1	-99.6	-44.7	0	0	0	110.8
509	Y	28.3	Very low	25.4	Very low	188 Å²	188	142.4 Å²	142.4	74%	0.737	73%	0.73	S	S	*	*			trans	9.5	159	149.5	-68	-79.9	0	0	0	123.9
510	F	25.3	Very low	25.3	Very low	188 Å²	188	143.1 Å²	143.1	83%	0.825	73%	0.73	S	S	*	*			cis	-140.1	157	12.4	-130.7	-68.3	0	0	0	111.8
511	E	25.3	Very low	25.4	Very low	153 Å²	153	141.9 Å²	141.9	72%	0.715	72%	0.724	S	S	*	*			trans	-125.9	149	-168.8	-167.8	-166.8	-121.9	0	0	112.9
512	D	27.4	Very low	25.7	Very low	111 Å²	111	143.5 Å²	143.5	59%	0.594	72%	0.724	S	S	*	*			trans	68	168.1	157.9	-108.2	-21.4	0	0	0	118
513	K	26.1	Very low	25.9	Very low	143 Å²	143	139.7 Å²	139.7	62%	0.622	72%	0.716	S	S	*	*			cis	-156.4	141.3	20	-139.2	155.8	-157.8	81	0	114.5
514	M	21.8	Very low	26	Very low	137 Å²	137	136.1 Å²	136.1	68%	0.675	71%	0.711	S	S	*	*			trans	53.2	128.6	137.1	-80.5	-177.4	-178.3	0	0	124.6
515	N	23.3	Very low	25.7	Very low	134 Å²	134	135.7 Å²	135.7	72%	0.717	72%	0.716	S	S	*	*				84.4	133.2	123.8	-70.6	-18.9	0	0	0	123.7
516	K	24.7	Very low	26.3	Very low	172 Å²	172	135.4 Å²	135.4	75%	0.748	72%	0.72	S	S	*	*			trans	92.6	121.8	134.4	-85.3	-172.2	159.8	-155.4	0	123.4
517	D	24.6	Very low	26.3	Very low	123 Å²	123	135.8 Å²	135.8	66%	0.658	72%	0.722	S	S	*	*				45.5	138.9	115.8	-49.7	-10.9	0	0	0	122.8
518	T	24.2	Very low	26.5	Very low	114 Å²	114	136 Å²	136	70%	0.699	72%	0.723	S	S	*	*			trans	79.1	105.6	146.6	42.6	0	0	0	0	121.6
519	E	23.4	Very low	26.8	Very low	162 Å²	162	137.5 Å²	137.5	76%	0.757	73%	0.726	S	S	*	*				75.9	127.9	121.1	-71.1	170.8	-164.8	0	0	122.2
520	T	24.6	Very low	26.8	Very low	118 Å²	118	135.2 Å²	135.2	72%	0.724	73%	0.727	S	S	*	*			trans	67.9	140	144.4	57.3	0	0	0	0	118.6
521	E	23.7	Very low	27	Very low	152 Å²	152	134.2 Å²	134.2	71%	0.71	72%	0.723	S	S	*	*			cis	-164.8	176.9	-4.2	-134.4	173.7	-142.8	0	0	110.6
522	N	26.4	Very low	27.4	Very low	138 Å²	138	130.7 Å²	130.7	74%	0.738	73%	0.728	S	S	*	*			trans	72.4	140.2	164.1	-61.9	-55.4	0	0	0	118.4
523	S	26.6	Very low	27.7	Very low	100 Å²	100	132.6 Å²	132.6	70%	0.699	73%	0.733	S	S	*	*			cis	-165.6	177.4	-13.8	51.1	0	0	0	0	111.3
524	S	28.5	Very low	28	Very low	111 Å²	111	132.4 Å²	132.4	78%	0.776	74%	0.744	S	S	*	*			trans	62.5	82	170.7	65.3	0	0	0	0	118
525	A	25.9	Very low	28.5	Very low	93 Å²	93	131.6 Å²	131.6	77%	0.769	74%	0.742	S	S	*	*				-107.8	142.3	128.6	0	0	0	0	0	107.6
526	V	36.6	Very low	29	Very low	138 Å²	138	133 Å²	133	84%	0.836	75%	0.75	S	S	*	*			trans	-108.2	117.3	170	172.6	0	0	0	0	105.8
527	D	28.2	Very low	29.5	Very low	155 Å²	155	131.5 Å²	131.5	83%	0.829	75%	0.749	S	S	*	*			trans	-148.4	167.8	173.3	-98.5	-49.2	0	0	0	111.7
528	S	32.6	Very low	30.3	Very low	98 Å²	98	133.1 Å²	133.1	69%	0.685	76%	0.757	S	S	*	*			trans	-105.1	-180	-164.2	58.9	0	0	0	0	113.6
529	E	35.3	Very low	30.9	Very low	159 Å²	159	134.7 Å²	134.7	74%	0.743	76%	0.76	S	S	*	*			trans	69.5	138.7	175	-53.3	-171	179.6	0	0	118.2
530	N	27.7	Very low	31.6	Very low	140 Å²	140	134.8 Å²	134.8	75%	0.749	76%	0.763	S	S	*	*				-154.1	152.9	122.2	-157	0.7	0	0	0	110.9
531	F	31	Very low	32.4	Very low	167 Å²	167	134 Å²	134	73%	0.732	76%	0.759	S	S	*	*			trans	-81.4	164.5	179.4	-77.9	-110.4	0	0	0	112.4	E533	F531-E533 PolarHBondContact O-N 3.22Å; F531-E533 VanDerWaalsContact O-N 3.15Å
532	G	32.5	Very low	33.2	Very low	80 Å²	80	132 Å²	132	83%	0.825	75%	0.749	S	S	*	*			trans	-77.6	92.5	176.7	0	0	0	0	0	113.3	T534	G532-T534 PolarHBondContact O-N 2.87Å
533	E	33.3	Very low	33.7	Very low	151 Å²	151	132.5 Å²	132.5	71%	0.706	75%	0.749	S	S	*	*			trans	-65.8	120.4	176	-66.6	-170.8	144.4	0	0	113.5	F531	F531-E533 PolarHBondContact O-N 3.22Å; F531-E533 VanDerWaalsContact O-N 3.15Å
534	T	33.5	Very low	34.1	Very low	139 Å²	139	134.6 Å²	134.6	85%	0.853	75%	0.749	S	S	*	*			trans	-91.4	105	163.1	54.8	0	0	0	0	110.6	G532 D536	G532-T534 PolarHBondContact O-N 2.87Å; T534-D536 PolarHBondContact O-N 2.98Å
535	N	32	Very low	34.4	Very low	119 Å²	119	134.2 Å²	134.2	64%	0.636	74%	0.742	S	S	*	*			trans	-75.1	106.9	-179.1	-93.5	-94.7	0	0	0	112.7
536	D	34.5	Very low	34.7	Very low	163 Å²	163	135.9 Å²	135.9	87%	0.872	74%	0.743	S	S	*	*			trans	-130.8	88.9	170.2	-134.1	-9.1	0	0	0	110.1	T534	T534-D536 PolarHBondContact O-N 2.98Å
537	I	35.7	Very low	34.6	Very low	141 Å²	141	134.1 Å²	134.1	72%	0.723	74%	0.737	S	S	*	*			trans	-85.4	130.3	-168.2	-63.9	175.4	0	0	0	112.1	N539	I537-N539 PolarHBondContact O-N 3.38Å
538	L	39.8	Very low	35.3	Very low	158 Å²	158	132.3 Å²	132.3	83%	0.827	74%	0.736	S	S	*	*			trans	-61.7	121.6	174.8	-70.3	171	0	0	0	112.3	M540	L538-M540 PolarHBondContact O-N 2.87Å
539	N	37.4	Very low	35.8	Very low	146 Å²	146	134.9 Å²	134.9	78%	0.781	74%	0.742	S	S	*	*			trans	-91.4	84.6	-172.3	-166.5	8.7	0	0	0	112.4	I537	I537-N539 PolarHBondContact O-N 3.38Å
540	M	37.8	Very low	36	Very low	164 Å²	164	136.2 Å²	136.2	81%	0.808	75%	0.749	S	S	*	*			trans	-91.9	122.1	178.7	-67.9	-68.5	-78.1	0	0	111.7	L538	L538-M540 PolarHBondContact O-N 2.87Å
541	T	40.7	Very low	37	Very low	103 Å²	103	139.2 Å²	139.2	63%	0.632	76%	0.755	S	S	*	*			trans	-105.7	-0.9	-171.4	59.6	0	0	0	0	115.8
542	H	41.1	Very low	37.1	Very low	109 Å²	109	139.1 Å²	139.1	51%	0.505	76%	0.761	S	S	.	*			trans	-139.4	149.9	175.5	-66.3	-73.5	0	0	0	110.8
543	M	36.9	Very low	37.3	Very low	149 Å²	149	140.8 Å²	140.8	73%	0.734	75%	0.75	S	S	*	*			trans	-118.5	130.4	179	-166.6	174.5	82.1	0	0	108.9	T545	M543-T545 HydrophobicContact CE-CG2 3.89Å
544	M	34.6	Very low	37.2	Very low	144 Å²	144	140.2 Å²	140.2	71%	0.709	75%	0.752	S	S	*	*			trans	-95.1	143.7	168.4	-68.8	-171.9	-160.5	0	0	109.6	F555	M544-F555 HydrophobicContact CE-CE1 3.94Å; M544-F555 HydrophobicContact CE-CZ 3.94Å; M544-F555 HydrophobicContact CG-CE1 3.57Å; M544-F555 HydrophobicContact CG-CZ 3.97Å; M544-F555 HydrophobicContact SD-CE1 4.33Å; M544-F555 HydrophobicContact SD-CZ 4.25Å
545	T	35.3	Very low	37.3	Very low	102 Å²	102	138.4 Å²	138.4	63%	0.626	73%	0.733	S	S	*	*			trans	-138.1	116	169.5	51.2	0	0	0	0	109.8	M543	M543-T545 HydrophobicContact CE-CG2 3.89Å
546	T	33	Very low	37.4	Very low	129 Å²	129	137 Å²	137	79%	0.791	73%	0.732	S	S	*	*			trans	-89.9	105.3	173.5	48.3	0	0	0	0	110.1	L553	T546-L553 HydrophobicContact CG2-CD2 4.39Å
547	S	33.5	Very low	37.3	Very low	101 Å²	101	134.3 Å²	134.3	71%	0.706	72%	0.724	S	S	*	*			trans	-80.9	127.2	169.5	50.5	0	0	0	0	110.5	N549	S547-N549 VanDerWaalsContact C-N 3.28Å; S547-N549 PolarHBondContact O-N 2.9Å
548	S	44.3	Very low	37.3	Very low	117 Å²	117	133.1 Å²	133.1	82%	0.818	72%	0.718	S	S	*	*	S	Bend	trans	-77.8	71	179.6	57.9	0	0	0	0	112.6
549	N	41.6	Very low	36.9	Very low	151 Å²	151	134.4 Å²	134.4	81%	0.807	72%	0.719	S	S	*	*	S	Bend	trans	-174	134.8	144.8	-94.9	-27.2	0	0	0	111.3	S547	S547-N549 VanDerWaalsContact C-N 3.28Å; S547-N549 PolarHBondContact O-N 2.9Å
550	E	39.3	Very low	36.6	Very low	188 Å²	188	130.4 Å²	130.4	88%	0.879	70%	0.695	S	S	*	*	S	Bend	trans	60.2	163.6	178.9	-55.2	-158.2	158.8	0	0	117.4
551	K	48.9	Very low	36.3	Very low	203 Å²	203	130.6 Å²	130.6	88%	0.883	69%	0.694	S	S	*	*	S	Bend	trans	-93.2	108.7	-164.1	-67.3	175.3	179.3	174	0	112.3
552	L	33.8	Very low	35.7	Very low	165 Å²	165	133.6 Å²	133.6	86%	0.864	70%	0.701	S	S	*	*			trans	-170.5	160.8	147.2	-104.4	155.7	0	0	0	110.6
553	L	36.1	Very low	35	Very low	114 Å²	114	134.4 Å²	134.4	60%	0.597	71%	0.709	S	S	*	*			trans	-129.5	138.4	173.7	-72.1	171.5	0	0	0	108.6	T546	T546-L553 HydrophobicContact CG2-CD2 4.39Å
554	D	31.4	Very low	34.5	Very low	140 Å²	140	134 Å²	134	75%	0.749	71%	0.705	S	S	*	*			trans	-138.8	156.6	-178.7	-165.8	12.9	0	0	0	111.1
555	F	34.9	Very low	34.2	Very low	101 Å²	101	133 Å²	133	44%	0.443	70%	0.702	S	S	.	*			trans	-141	137.1	-170.5	-69.6	-94.1	0	0	0	111.9	M544	M544-F555 HydrophobicContact CE-CE1 3.94Å; M544-F555 HydrophobicContact CE-CZ 3.94Å; M544-F555 HydrophobicContact CG-CE1 3.57Å; M544-F555 HydrophobicContact CG-CZ 3.97Å; M544-F555 HydrophobicContact SD-CE1 4.33Å; M544-F555 HydrophobicContact SD-CZ 4.25Å
556	S	34.4	Very low	33.8	Very low	90 Å²	90	133.6 Å²	133.6	63%	0.629	71%	0.706	S	S	*	*			trans	-136.7	143.4	177.5	-78	0	0	0	0	113.3
557	P	32.8	Very low	33.4	Very low	106 Å²	106	135.5 Å²	135.5	69%	0.688	70%	0.704	S	S	*	*			trans	-93.5	161	172.1	36.9	-33.7	0	0	0	112.5
558	I	35.3	Very low	33	Very low	116 Å²	116	137.3 Å²	137.3	60%	0.595	70%	0.701	S	S	*	*			trans	-117.1	124.9	-178.2	-54.9	178.7	0	0	0	111.3	K560	I558-K560 HydrophobicContact CG2-CD 3.83Å; I558-K560 HydrophobicContact CG2-CG 3.95Å
559	Q	32.4	Very low	32.2	Very low	184 Å²	184	139.4 Å²	139.4	86%	0.86	70%	0.695	S	S	*	*			trans	-114.4	144.9	179.9	-167.3	179.8	31	0	0	111.2
560	K	30.6	Very low	31.3	Very low	62 Å²	62	138 Å²	138	27%	0.27	69%	0.692	S	S	.	*			trans	-151	139.9	-158.1	-33.9	-175.4	-61.3	-167.2	0	109.8	I558 N976 R977 M978	I558-K560 HydrophobicContact CG2-CD 3.83Å; I558-K560 HydrophobicContact CG2-CG 3.95Å; K560-N976 CarbonylContact C-O 3.42Å; K560-N976 HydrophobicContact CB-CB 3.61Å; K560-N976 HydrophobicContact CD-CB 3.56Å; K560-N976 HydrophobicContact CG-CB 4Å; K560-R977 WeakPolarHBondContact CE-O 3.29Å; K560-M978 HydrophobicContact CB-CB 4.07Å; K560-M978 HydrophobicContact CG-CB 4.42Å; K560-M978 HydrophobicContact CG-CG 4.48Å; K560-M978 WeakPolarHBondContact O-CB 3.47Å; K560-M978 PolarHBondContact O-N 2.72Å
561	Q	31.6	Very low	30.5	Very low	168 Å²	168	136.3 Å²	136.3	79%	0.785	69%	0.686	S	S	*	*			trans	-124.7	-149.9	-164.7	-139.6	170.2	6.3	0	0	116	N976 R977	Q561-N976 CarbonylContact C-O 3.55Å; Q561-N976 PolarHBondContact N-O 2.92Å; Q561-N976 CarbonylContact O-C 3.55Å; Q561-R977 PolarHBondContact O-N 2.68Å
562	Q	28	Very low	29.2	Very low	167 Å²	167	134 Å²	134	78%	0.78	68%	0.678	S	S	*	*			trans	-149.3	150.5	-164.3	-81.6	-177.2	-38	0	0	116
563	N	25.8	Very low	28.8	Very low	125 Å²	125	131.8 Å²	131.8	67%	0.668	68%	0.677	S	S	*	*			trans	58.7	163.9	146	-62.3	27.8	0	0	0	119.6
564	Q	27.1	Very low	28.2	Very low	142 Å²	142	132.7 Å²	132.7	66%	0.664	69%	0.687	S	S	*	*			cis	-164.6	164.5	-15.3	-114.9	174.9	-79.7	0	0	111.2
565	D	29.1	Very low	28.1	Very low	121 Å²	121	131.3 Å²	131.3	65%	0.647	69%	0.686	S	S	*	*			trans	45.4	145.7	146.1	-49.4	-19.4	0	0	0	124.1
566	T	26	Very low	27.5	Very low	116 Å²	116	132.1 Å²	132.1	71%	0.712	70%	0.703	S	S	*	*				170.8	170.8	94.9	37.1	0	0	0	0	108.3
567	F	24.9	Very low	27	Very low	169 Å²	169	132.9 Å²	132.9	74%	0.741	70%	0.704	S	S	*	*			cis	-139.1	150.1	17.6	-87.5	-96.3	0	0	0	108.9
568	E	25	Very low	26.6	Very low	138 Å²	138	135.4 Å²	135.4	65%	0.645	71%	0.707	S	S	*	*				58.4	146.4	83.5	-60	-158.1	143.7	0	0	117.9
569	K	26.7	Very low	26.1	Very low	161 Å²	161	135.7 Å²	135.7	70%	0.7	71%	0.709	S	S	*	*			cis	-161.4	128.5	30	-148.4	173.5	-172.1	77.1	0	116.5
570	V	23.4	Very low	25.8	Very low	121 Å²	121	134.9 Å²	134.9	73%	0.733	71%	0.705	S	S	*	*			trans	46.5	129.9	136.1	-178.4	0	0	0	0	122.8
571	M	21.9	Very low	25.5	Very low	153 Å²	153	138 Å²	138	75%	0.754	73%	0.725	S	S	*	*				-178.8	139.1	104.1	-152.5	151.6	-174.9	0	0	117.4
572	E	22.6	Very low	25.2	Very low	155 Å²	155	133.6 Å²	133.6	72%	0.724	71%	0.713	S	S	*	*			trans	21.8	129.5	157.5	-65.6	176.7	169.7	0	0	127.3
573	S	24	Very low	25.2	Very low	119 Å²	119	135 Å²	135	83%	0.832	71%	0.712	S	S	*	*				103.3	142.2	127.4	73.7	0	0	0	0	123.9
574	T	23.8	Very low	25.2	Very low	133 Å²	133	137 Å²	137	82%	0.816	72%	0.718	S	S	*	*			trans	-92.4	164.1	-174.1	38.4	0	0	0	0	113.5
575	P	30	Very low	25.3	Very low	110 Å²	110	140.4 Å²	140.4	71%	0.714	73%	0.726	S	S	*	*				-159.1	158.6	62.9	42.3	-19.9	0	0	0	122.1
576	C	22.3	Very low	25.2	Very low	119 Å²	119	143.4 Å²	143.4	80%	0.804	74%	0.736	S	S	*	*			trans	62.1	170.4	150	-65.9	0	0	0	0	118.6
577	T	23.5	Very low	25.4	Very low	106 Å²	106	145.9 Å²	145.9	65%	0.65	74%	0.739	S	S	*	*			cis	-159.1	156.4	9.3	-9.1	0	0	0	0	109
578	E	23.7	Very low	25.4	Very low	159 Å²	159	146.4 Å²	146.4	74%	0.743	75%	0.747	S	S	*	*			trans	63.2	157.8	148.3	-69.7	175.2	-135.5	0	0	118.8
579	N	25.9	Very low	25.6	Very low	121 Å²	121	144 Å²	144	65%	0.647	75%	0.745	S	S	*	*			cis	-142.8	149.8	-16.3	-86.8	-27.5	0	0	0	106.7
580	E	25	Very low	25.7	Very low	168 Å²	168	146.6 Å²	146.6	79%	0.785	76%	0.756	S	S	*	*				58.2	127.1	82.3	-102.7	180	-158.3	0	0	117
581	D	24.8	Very low	25.9	Very low	126 Å²	126	147.6 Å²	147.6	67%	0.674	76%	0.756	S	S	*	*			trans	71.8	119.9	139.4	-77.5	19.4	0	0	0	125.5
582	S	26.2	Very low	26.1	Very low	76 Å²	76	148.8 Å²	148.8	53%	0.531	76%	0.757	S	S	.	*				84.9	161.6	115.2	74.1	0	0	0	0	123.7
583	Y	28.2	Very low	26.4	Very low	197 Å²	197	148.9 Å²	148.9	77%	0.773	76%	0.757	S	S	*	*			trans	65.2	158.8	157.8	-54.9	-44.5	0	0	0	118.7
584	E	25	Very low	26.5	Very low	168 Å²	168	148.6 Å²	148.6	79%	0.785	75%	0.75	S	S	*	*			cis	-157.5	-161.5	-42.3	-138.4	173.3	-171.1	0	0	109.5
585	Y	29	Very low	26.7	Very low	213 Å²	213	148 Å²	148	84%	0.835	75%	0.747	S	S	*	*			trans	-55	153.1	175.5	-85.8	-104.7	0	0	0	115
586	E	27.8	Very low	26.7	Very low	184 Å²	184	148.4 Å²	148.4	86%	0.86	75%	0.747	S	S	*	*				-172.1	166.2	100.2	-105.6	-168.4	178.6	0	0	114.8
587	E	30.8	Very low	26.9	Very low	167 Å²	167	151.4 Å²	151.4	78%	0.78	74%	0.743	S	S	*	*			trans	-77.9	166.3	178	-53.8	176.2	79.3	0	0	112.5
588	M	23.9	Very low	27.3	Very low	181 Å²	181	154 Å²	154	89%	0.892	74%	0.744	S	S	*	*				-158.2	138.6	109	-128.9	178.2	-74.8	0	0	114.4
589	S	29.5	Very low	27.5	Very low	87 Å²	87	152.8 Å²	152.8	61%	0.608	74%	0.739	S	S	*	*			trans	-75.8	167.4	177.4	60.4	0	0	0	0	113.8
590	K	28.3	Very low	27.6	Very low	215 Å²	215	157.3 Å²	157.3	94%	0.935	75%	0.749	S	S	*	*			trans	-148.5	117.8	151.5	-114.4	165	-169.7	166.5	0	111.5
591	I	28.9	Very low	27.7	Very low	143 Å²	143	156.4 Å²	156.4	73%	0.733	75%	0.748	S	S	*	*			trans	-107.4	137.8	175.4	-68.6	159.6	0	0	0	109.3
592	K	25.8	Very low	27.9	Very low	178 Å²	178	154.9 Å²	154.9	77%	0.774	75%	0.753	S	S	*	*			trans	179.9	124.4	144.5	-98	154.1	-179.3	-171.8	0	108.9
593	E	27.5	Very low	28.1	Very low	157 Å²	157	161.2 Å²	161.2	73%	0.734	77%	0.771	S	S	*	*				69.5	133.6	72.6	-74.2	-171.6	134.9	0	0	112.8
594	V	27.1	Very low	27.9	Very low	112 Å²	112	155.3 Å²	155.3	68%	0.679	77%	0.77	S	S	*	*			cis	-168.7	167.1	-1.8	71.5	0	0	0	0	110.9
595	T	27.7	Very low	28.1	Very low	121 Å²	121	155.6 Å²	155.6	74%	0.742	78%	0.775	S	S	*	*			trans	63	156.2	161.7	50.4	0	0	0	0	120.1
596	V	30.9	Very low	28	Very low	118 Å²	118	155.7 Å²	155.7	72%	0.715	78%	0.776	S	S	*	*			cis	-142.3	172.7	-35.7	-131.4	0	0	0	0	105.5
597	Y	25.2	Very low	27.8	Very low	183 Å²	183	155.3 Å²	155.3	72%	0.718	78%	0.776	S	S	*	*				-178.2	118.2	62.8	-133.8	-80.3	0	0	0	111.5
598	K	31.7	Very low	27.6	Very low	159 Å²	159	154.5 Å²	154.5	69%	0.691	78%	0.775	S	S	*	*			trans	56.6	166.1	148.8	-73.7	-166.4	176.8	-170.9	0	122.4
599	Q	28	Very low	27.9	Very low	134 Å²	134	157.6 Å²	157.6	63%	0.626	78%	0.777	S	S	*	*			cis	170.7	130.3	-30.1	172.3	177.3	20.1	0	0	107.9
600	Y	29	Very low	28.1	Very low	217 Å²	217	158.8 Å²	158.8	85%	0.851	78%	0.783	S	S	*	*			trans	-164.9	139.2	139.5	-101	-56.6	0	0	0	114.4
601	L	27.7	Very low	28.1	Very low	149 Å²	149	152.7 Å²	152.7	78%	0.78	77%	0.773	S	S	*	*			trans	51.1	107.9	156.1	-75.5	156.8	0	0	0	120.7
602	A	29	Very low	28.1	Very low	94 Å²	94	155.2 Å²	155.2	78%	0.777	78%	0.781	S	S	*	*			trans	-94.3	144.5	152.3	0	0	0	0	0	111
603	K	29.3	Very low	28.2	Very low	209 Å²	209	154 Å²	154	91%	0.909	78%	0.782	S	S	*	*			trans	178.7	125.9	159.6	-100.8	167.4	-176.6	-176.4	0	106.8
604	G	24.8	Very low	28.1	Very low	73 Å²	73	153.7 Å²	153.7	75%	0.753	78%	0.784	S	S	*	*			cis	144.5	91.2	-5	0	0	0	0	0	111.2
605	I	28.1	Very low	28	Very low	174 Å²	174	156.4 Å²	156.4	89%	0.892	79%	0.79	S	S	*	*			trans	-131.3	151.9	175.8	-63.2	-177.1	0	0	0	109
606	Y	26.6	Very low	28.1	Very low	215 Å²	215	153.7 Å²	153.7	84%	0.843	78%	0.779	S	S	*	*			trans	-84.3	146	-162.7	-83.4	-109.5	0	0	0	115.1
607	M	23.8	Very low	27.9	Very low	176 Å²	176	156.8 Å²	156.8	87%	0.867	78%	0.784	S	S	*	*			trans	-66.3	141.9	151.9	-87.6	-90.6	-154.5	0	0	110.6
608	I	26.8	Very low	28.1	Very low	149 Å²	149	152.7 Å²	152.7	76%	0.764	78%	0.781	S	S	*	*			trans	-157.4	129.4	144.8	-95.8	138.8	0	0	0	108.7
609	R	29.7	Very low	27.9	Very low	247 Å²	247	152.2 Å²	152.2	93%	0.932	79%	0.787	S	S	*	*			trans	-132.1	134.4	154.7	-86.3	-169.7	179.2	-174	-0.1	106.8
610	P	33.9	Very low	28.1	Very low	112 Å²	112	154.5 Å²	154.5	73%	0.727	80%	0.797	S	S	*	*			trans	-139.2	170.4	131.1	39.3	-29	0	0	0	110.8
611	A	28.3	Very low	28.1	Very low	87 Å²	87	153.2 Å²	153.2	72%	0.719	80%	0.799	S	S	*	*			cis	-172	144.9	-29.2	0	0	0	0	0	106
612	E	28.9	Very low	28.2	Very low	196 Å²	196	153.5 Å²	153.5	92%	0.916	81%	0.806	S	S	*	*			trans	-82.8	144	175	-61.8	151.1	132.2	0	0	110.5
613	I	28.8	Very low	28.2	Very low	152 Å²	152	152.2 Å²	152.2	78%	0.779	80%	0.802	S	S	*	*			trans	-149.7	151.7	167.1	-29.8	177.1	0	0	0	109.5
614	L	24.6	Very low	28.3	Very low	151 Å²	151	150.5 Å²	150.5	79%	0.791	80%	0.803	S	S	*	*			trans	76.5	130.8	170.2	-62.2	167.6	0	0	0	114.1
615	E	25.3	Very low	28.3	Very low	169 Å²	169	150 Å²	150	79%	0.79	80%	0.797	S	S	*	*			cis	-144	179	9.2	-66.4	-165.5	152.4	0	0	110.2
616	A	29.7	Very low	28.4	Very low	64 Å²	64	149.5 Å²	149.5	53%	0.529	80%	0.796	S	S	.	*			cis	-175	174.8	-42.1	0	0	0	0	0	108.3
617	F	26.5	Very low	28.6	Very low	183 Å²	183	144.6 Å²	144.6	80%	0.803	78%	0.784	S	S	*	*			trans	68.2	158.3	171.3	-46.8	-73.1	0	0	0	116.3
618	S	28.9	Very low	28.9	Very low	96 Å²	96	143.6 Å²	143.6	67%	0.671	78%	0.778	S	S	*	*			cis	-174.6	151.3	-20.4	48.8	0	0	0	0	110.2
619	D	28.1	Very low	29	Very low	150 Å²	150	142 Å²	142	80%	0.802	78%	0.775	S	S	*	*			cis	-158.9	-56	-22.8	-88.8	-42.1	0	0	0	112.5
620	E	31.7	Very low	28.9	Very low	182 Å²	182	138.8 Å²	138.8	85%	0.85	77%	0.77	S	S	*	*			trans	-124.7	140.1	-164.5	-59.6	-170	140.2	0	0	116.9
621	E	29.6	Very low	28.5	Very low	190 Å²	190	139.8 Å²	139.8	89%	0.888	77%	0.765	S	S	*	*				177.4	140.2	107.5	-98.6	-159.2	158.9	0	0	112.2
622	V	30.6	Very low	29.2	Very low	154 Å²	154	140.7 Å²	140.7	93%	0.933	76%	0.763	S	S	*	*			trans	-141.2	128.8	169.9	174	0	0	0	0	110.1
623	G	28	Very low	29.1	Very low	67 Å²	67	140.7 Å²	140.7	69%	0.691	76%	0.755	S	S	*	*			trans	-118.6	98.7	-176.3	0	0	0	0	0	115.3
624	N	31.9	Very low	28.9	Very low	174 Å²	174	139.4 Å²	139.4	93%	0.93	75%	0.754	S	S	*	*			trans	59	140.8	157.9	-62	-37.9	0	0	0	120.2
625	G	24.9	Very low	28.9	Very low	61 Å²	61	140.4 Å²	140.4	63%	0.629	75%	0.752	S	S	*	*			cis	160.4	-178.7	-6	0	0	0	0	0	113.8
626	L	30.6	Very low	29	Very low	165 Å²	165	137.2 Å²	137.2	86%	0.864	74%	0.744	S	S	*	*			trans	67	147.4	175.1	-55.6	174	0	0	0	114.9
627	D	30.4	Very low	28.9	Very low	111 Å²	111	141.5 Å²	141.5	59%	0.594	76%	0.759	S	S	*	*			cis	-151.9	157.6	19.4	-139.6	2.1	0	0	0	113
628	Q	29.6	Very low	28.8	Very low	156 Å²	156	135.8 Å²	135.8	73%	0.729	75%	0.751	S	S	*	*			trans	34.1	139.3	155.4	-55.6	167.8	64.7	0	0	120.6
629	V	29.3	Very low	28.8	Very low	116 Å²	116	141.4 Å²	141.4	70%	0.703	76%	0.763	S	S	*	*				-178.3	145.4	72	164.6	0	0	0	0	110.2
630	E	27.9	Very low	28.6	Very low	179 Å²	179	137.1 Å²	137.1	84%	0.836	76%	0.755	S	S	*	*			trans	52	107.8	159.3	-70	166.8	177.8	0	0	123.7
631	E	24.8	Very low	28.7	Very low	132 Å²	132	136 Å²	136	62%	0.617	75%	0.754	S	S	*	*			trans	-58.3	155.5	133.8	-121.9	-162.5	-141.2	0	0	110.1	R633	E631-R633 IonicContact OE2-CZ 2.67Å; E631-R633 VanDerWaalsContact OE2-CZ 3.22Å; E631-R633 IonicContact OE2-NE 3.11Å; E631-R633 PolarHBondContact OE2-NE 3.02Å; E631-R633 IonicContact OE2-NH2 2.65Å; E631-R633 PolarHBondContact OE2-NH2 2.88Å
632	P	43.8	Very low	28.7	Very low	106 Å²	106	134.5 Å²	134.5	69%	0.688	75%	0.747	S	S	*	*				-150.8	144.5	55.9	37.5	-16	0	0	0	119.3
633	R	26.7	Very low	28.7	Very low	197 Å²	197	131.7 Å²	131.7	74%	0.743	73%	0.734	S	S	*	*				44.7	141.6	127.6	-49.4	167.8	-165	175.1	6.1	121	E631	E631-R633 IonicContact OE2-CZ 2.67Å; E631-R633 VanDerWaalsContact OE2-CZ 3.22Å; E631-R633 IonicContact OE2-NE 3.11Å; E631-R633 PolarHBondContact OE2-NE 3.02Å; E631-R633 IonicContact OE2-NH2 2.65Å; E631-R633 PolarHBondContact OE2-NH2 2.88Å
634	V	25.1	Very low	28.8	Very low	124 Å²	124	136.4 Å²	136.4	75%	0.752	74%	0.736	S	S	*	*				176.9	127.6	104.4	154.6	0	0	0	0	111.9
635	F	24.1	Very low	28.8	Very low	173 Å²	173	136 Å²	136	76%	0.759	73%	0.728	S	S	*	*			trans	22.5	152.9	141.8	-68.7	-110.2	0	0	0	122.1
636	T	26.5	Very low	29	Very low	101 Å²	101	139.5 Å²	139.5	62%	0.62	74%	0.737	S	S	*	*			cis	-176.1	169.3	-16	28.2	0	0	0	0	107.2
637	D	27	Very low	28.9	Very low	155 Å²	155	135.1 Å²	135.1	83%	0.829	73%	0.732	S	S	*	*			trans	48	139	150.3	-62.4	-4.1	0	0	0	120.5
638	G	26	Very low	28.8	Very low	63 Å²	63	137.7 Å²	137.7	65%	0.649	74%	0.737	S	S	*	*			cis	132.9	144.6	10.4	0	0	0	0	0	111.2
639	K	28.7	Very low	28.8	Very low	213 Å²	213	136.5 Å²	136.5	93%	0.926	73%	0.732	S	S	*	*			trans	69.7	155.1	178.3	-50.9	159.9	-174.6	163.5	0	114.6
640	G	24.7	Very low	28.9	Very low	60 Å²	60	135.1 Å²	135.1	62%	0.619	73%	0.727	S	S	*	*			cis	152.3	156.9	-8.9	0	0	0	0	0	113.6
641	L	32	Very low	29.1	Very low	159 Å²	159	133.8 Å²	133.8	83%	0.832	73%	0.726	S	S	*	*			trans	70.6	164.2	177.3	-61.3	87.4	0	0	0	114.6
642	Q	29.9	Very low	29.3	Very low	158 Å²	158	136.9 Å²	136.9	74%	0.738	74%	0.74	S	S	*	*			cis	-159.3	122.4	22.5	-159.6	170.5	78.2	0	0	116.9
643	S	30.4	Very low	28.6	Very low	95 Å²	95	140 Å²	140	66%	0.664	75%	0.746	S	S	*	*			trans	67.3	165.2	144.3	80	0	0	0	0	120.3
644	K	30.6	Very low	28.6	Very low	167 Å²	167	137.8 Å²	137.8	73%	0.726	75%	0.747	S	S	*	*			cis	-158.4	140.1	20.3	-151.2	158.2	-172.6	175	0	115.4
645	Q	32.6	Very low	28.7	Very low	164 Å²	164	138 Å²	138	77%	0.766	75%	0.748	S	S	*	*			trans	13.9	141.7	149.9	-49.8	167.1	-98.5	0	0	119.1
646	V	29.3	Very low	28.9	Very low	135 Å²	135	135.5 Å²	135.5	82%	0.818	75%	0.752	S	S	*	*			cis	-154.1	162.3	38.6	172.7	0	0	0	0	107.7
647	G	27.9	Very low	29.2	Very low	73 Å²	73	139 Å²	139	75%	0.753	76%	0.762	S	S	*	*			cis	-176.9	-145.1	7.3	0	0	0	0	0	109.2
648	K	28.8	Very low	29.2	Very low	165 Å²	165	140.8 Å²	140.8	72%	0.717	76%	0.762	S	S	*	*			cis	-150.1	-83.8	-3.9	-161.1	-164.6	-175.2	-67.9	0	112.5
649	E	28.8	Very low	29.3	Very low	132 Å²	132	146.4 Å²	146.4	62%	0.617	77%	0.769	S	S	*	*			trans	-138.7	155.8	175.4	-66.6	103.6	-144.7	0	0	108.1
650	S	32.2	Very low	29.1	Very low	86 Å²	86	141.2 Å²	141.2	60%	0.601	76%	0.755	S	S	*	*			cis	87	148.3	18.3	92.5	0	0	0	0	115.9
651	D	32.1	Very low	29.4	Very low	151 Å²	151	145.7 Å²	145.7	81%	0.807	76%	0.76	S	S	*	*			cis	-113.4	-127.5	3.2	-66.9	-94.1	0	0	0	112.5
652	E	28.2	Very low	29.2	Very low	197 Å²	197	144 Å²	144	92%	0.921	76%	0.756	S	S	*	*			cis	-138.5	-136.8	10.9	-157	168	-112.8	0	0	111.5
653	E	28.3	Very low	29	Very low	173 Å²	173	143.2 Å²	143.2	81%	0.808	75%	0.754	S	S	*	*			trans	-137.1	171	-157.3	-154.6	-177.1	-140.6	0	0	118.1
654	I	26.9	Very low	28.9	Very low	149 Å²	149	146 Å²	146	76%	0.764	76%	0.756	S	S	*	*			trans	104.3	144.4	155.7	-61.8	171.9	0	0	0	119.9
655	V	28.1	Very low	28.8	Very low	129 Å²	129	144.6 Å²	144.6	78%	0.782	76%	0.761	S	S	*	*			trans	-121.1	148.4	-172	170.7	0	0	0	0	111.5
656	S	28.9	Very low	28.7	Very low	120 Å²	120	141.1 Å²	141.1	84%	0.839	76%	0.761	S	S	*	*			trans	-177.3	165.7	144.2	37.1	0	0	0	0	114.5
657	E	31.1	Very low	28.6	Very low	175 Å²	175	142 Å²	142	82%	0.818	76%	0.761	S	S	*	*			trans	-109.3	158.3	-171.1	-44.6	160.8	113.2	0	0	113.8
658	K	27.8	Very low	28.7	Very low	193 Å²	193	143.8 Å²	143.8	84%	0.839	76%	0.757	S	S	*	*			trans	158.2	135.8	143.2	-85.7	152.6	-169.4	176.2	0	108.4
659	K	27.1	Very low	28.6	Very low	181 Å²	181	144.1 Å²	144.1	79%	0.787	76%	0.758	S	S	*	*			cis	77.1	150	39.4	-149.5	-165.6	178.4	-168.3	0	113.2
660	T	26	Very low	28.5	Very low	103 Å²	103	146.4 Å²	146.4	63%	0.632	77%	0.766	S	S	*	*			trans	75	145.6	169.4	51.6	0	0	0	0	117.8
661	E	30.1	Very low	28.4	Very low	155 Å²	155	147.9 Å²	147.9	72%	0.724	77%	0.766	S	S	*	*			cis	-176.1	-173.6	-17.9	-160	149.5	-109.5	0	0	110.1
662	V	28	Very low	28.2	Very low	123 Å²	123	150.2 Å²	150.2	75%	0.745	76%	0.763	S	S	*	*			trans	61.5	159.6	162.6	-82.6	0	0	0	0	118.7
663	M	25.8	Very low	28.4	Very low	142 Å²	142	147.5 Å²	147.5	70%	0.7	75%	0.751	S	S	*	*			cis	-158.2	166.4	7.4	-121.2	156	90	0	0	107.6
664	E	29	Very low	28.6	Very low	154 Å²	154	143.8 Å²	143.8	72%	0.72	74%	0.744	S	S	*	*			cis	-149.3	-106.8	-5.8	-153.4	163.2	-142.1	0	0	112.4
665	V	28.7	Very low	28.9	Very low	137 Å²	137	145.3 Å²	145.3	83%	0.83	75%	0.748	S	S	*	*			trans	-148	159.6	-174.7	-68.9	0	0	0	0	114.1
666	A	29.6	Very low	29.3	Very low	91 Å²	91	146.8 Å²	146.8	75%	0.752	75%	0.746	S	S	*	*			trans	-171.8	120.4	141.6	0	0	0	0	0	114
667	D	27.5	Very low	29.6	Very low	154 Å²	154	147.8 Å²	147.8	82%	0.824	74%	0.742	S	S	*	*			trans	10.3	161.4	137.7	-66.6	-35.1	0	0	0	124.4
668	V	29.4	Very low	30	Very low	109 Å²	109	144.1 Å²	144.1	66%	0.661	74%	0.736	S	S	*	*			cis	-173.1	140.5	-35.5	113.4	0	0	0	0	111.7
669	K	28.1	Very low	30.7	Very low	173 Å²	173	144.4 Å²	144.4	75%	0.752	74%	0.737	S	S	*	*			trans	50.3	138.7	155.8	-68.8	174.5	-177.6	165.5	0	124
670	K	26.2	Very low	31.4	Very low	180 Å²	180	141.1 Å²	141.1	78%	0.783	74%	0.737	S	S	*	*			trans	73	155.8	135.9	-80	-173.1	168.3	-162.3	0	118.5
671	I	28.9	Very low	31.4	Very low	116 Å²	116	143.4 Å²	143.4	60%	0.595	75%	0.745	S	S	*	*			cis	-165.1	146.6	-19.1	-123.6	172.5	0	0	0	109.5
672	R	28.5	Very low	31.9	Very low	201 Å²	201	140.8 Å²	140.8	76%	0.758	74%	0.744	S	S	*	*			trans	57.3	173.4	159.6	-72.9	170.5	147.4	159.8	-1.1	117.3
673	E	31.6	Very low	32.2	Very low	140 Å²	140	142.1 Å²	142.1	65%	0.654	75%	0.746	S	S	*	*			cis	-150.9	174.7	-19.3	-121.7	143.7	-165.2	0	0	110.3
674	S	33.2	Very low	32.4	Very low	94 Å²	94	143.1 Å²	143.1	66%	0.657	75%	0.747	S	S	*	*			trans	30.9	121.8	155.3	60.7	0	0	0	0	124.4
675	E	34	Very low	33	Very low	182 Å²	182	141.6 Å²	141.6	85%	0.85	74%	0.743	S	S	*	*				79.5	144.7	124.3	-67.1	179.1	159.3	0	0	125.7
676	E	36.2	Very low	33.5	Very low	159 Å²	159	141.7 Å²	141.7	74%	0.743	74%	0.739	S	S	*	*			trans	57.1	112.3	152.8	-63.5	-104.3	88.4	0	0	123.8
677	N	35.5	Very low	33.6	Very low	141 Å²	141	144.3 Å²	144.3	75%	0.754	74%	0.74	S	S	*	*				31.3	138.3	121.7	-79.4	-42.3	0	0	0	121
678	S	38.1	Very low	35.3	Very low	98 Å²	98	142.4 Å²	142.4	69%	0.685	74%	0.736	S	S	*	*			cis	-172.2	175.9	12.8	57.9	0	0	0	0	113.3
679	K	43.6	Very low	35.5	Very low	200 Å²	200	143.3 Å²	143.3	87%	0.87	74%	0.737	S	S	*	*			trans	23	145.7	149.5	-66.1	177.8	-177.6	172	0	120.4
680	S	40.8	Very low	35.8	Very low	112 Å²	112	143.3 Å²	143.3	78%	0.783	74%	0.737	S	S	*	*			cis	-165.6	168.5	37.1	53.2	0	0	0	0	112.4
681	D	27.4	Very low	35.9	Very low	151 Å²	151	140.5 Å²	140.5	81%	0.807	74%	0.735	S	S	*	*				-160	158.4	129.3	-140.8	-23.7	0	0	0	111
682	S	39.7	Very low	35.9	Very low	100 Å²	100	142.6 Å²	142.6	70%	0.699	74%	0.744	S	S	*	*			trans	-161.4	133	-174.5	62.3	0	0	0	0	115.6
683	L	33.6	Very low	35.9	Very low	150 Å²	150	139.7 Å²	139.7	79%	0.785	74%	0.744	S	S	*	*			trans	-166.1	149.6	168	-90.9	118.8	0	0	0	109.3
684	F	31.6	Very low	35.8	Very low	164 Å²	164	136.6 Å²	136.6	72%	0.719	74%	0.738	S	S	*	*			cis	-165.8	150.7	-11.5	-137.9	-130.7	0	0	0	109.6
685	D	40.8	Very low	35.6	Very low	121 Å²	121	140.4 Å²	140.4	65%	0.647	75%	0.745	S	S	*	*			trans	12.7	167.7	147.5	-38.6	-16.9	0	0	0	122.3
686	D	38.9	Very low	35.4	Very low	139 Å²	139	135.8 Å²	135.8	74%	0.743	73%	0.733	S	S	*	*			cis	-167	177.1	14.6	-154.4	-2.1	0	0	0	115.1
687	L	32.9	Very low	35.2	Very low	147 Å²	147	136.9 Å²	136.9	77%	0.77	74%	0.738	S	S	*	*			trans	94.2	144.6	149.8	-70	174.1	0	0	0	123.5
688	P	62	Low	34.9	Very low	114 Å²	114	135.7 Å²	135.7	74%	0.74	73%	0.732	S	S	*	*			trans	-139.6	-171.6	-167.7	42.3	-20.5	0	0	0	118.6
689	D	33.3	Very low	34.4	Very low	127 Å²	127	135.8 Å²	135.8	68%	0.679	72%	0.724	S	S	*	*			trans	104.9	146.9	141.1	-161.7	32	0	0	0	122.7
690	K	34.3	Very low	33.8	Very low	174 Å²	174	133.8 Å²	133.8	76%	0.757	72%	0.716	S	S	*	*			trans	84.4	163.9	164	-87.5	166.8	-172.1	65.5	0	123.4
691	T	28.9	Very low	33.1	Very low	121 Å²	121	135.8 Å²	135.8	74%	0.742	72%	0.718	S	S	*	*			trans	-138.1	168.5	-149.2	52.6	0	0	0	0	113.6
692	M	29.5	Very low	33.2	Very low	160 Å²	160	134.6 Å²	134.6	79%	0.788	71%	0.71	S	S	*	*			trans	167.5	159.1	132.4	-94	-62.6	177.8	0	0	116.3
693	N	28.5	Very low	32.7	Very low	139 Å²	139	134.3 Å²	134.3	74%	0.743	71%	0.713	S	S	*	*			trans	69	158.4	156.7	-65.6	0.3	0	0	0	121.5
694	S	28.9	Very low	32.5	Very low	75 Å²	75	133.1 Å²	133.1	52%	0.524	70%	0.704	S	S	.	*			cis	-173.8	163.9	-41.6	56.3	0	0	0	0	110.1
695	E	28.5	Very low	32.4	Very low	175 Å²	175	134.7 Å²	134.7	82%	0.818	71%	0.714	S	S	*	*			trans	65.3	164.6	161.3	-69.8	147.4	-117.9	0	0	119
696	S	29.9	Very low	31.7	Very low	85 Å²	85	138.2 Å²	138.2	59%	0.594	72%	0.718	S	S	*	*				-176	144.1	-55.2	51.6	0	0	0	0	110.4
697	E	31.5	Very low	31.2	Very low	181 Å²	181	142.9 Å²	142.9	85%	0.846	73%	0.725	S	S	*	*			trans	64.5	156.5	150.9	-80.9	174.4	-150.8	0	0	119.1
698	D	29.5	Very low	31	Very low	117 Å²	117	141.4 Å²	141.4	63%	0.626	73%	0.727	S	S	*	*			cis	-162.2	171.6	-24.1	-150.2	-3.4	0	0	0	111.9
699	N	28.1	Very low	29.3	Very low	99 Å²	99	141.4 Å²	141.4	53%	0.529	73%	0.73	S	S	.	*			trans	50.8	129.9	154	-68.4	-45.8	0	0	0	121.9
700	K	30.5	Very low	29.2	Very low	159 Å²	159	144 Å²	144	69%	0.691	74%	0.737	S	S	*	*				73.5	121.6	61.7	-68.2	-168.2	-154.5	105.8	0	116.2	I702	K700-I702 HydrophobicContact CB-CD1 4.43Å; K700-I702 HydrophobicContact CD-CD1 4.35Å
701	D	27.9	Very low	28.8	Very low	153 Å²	153	143.2 Å²	143.2	82%	0.818	74%	0.737	S	S	*	*			trans	-163.4	132.9	130.3	-93.5	-28.2	0	0	0	106.7
702	I	29.4	Very low	28.8	Very low	127 Å²	127	143.3 Å²	143.3	65%	0.651	73%	0.733	S	S	*	*			cis	105.5	106.6	24.1	-65.8	170.4	0	0	0	113.6	K700 E704	K700-I702 HydrophobicContact CB-CD1 4.43Å; K700-I702 HydrophobicContact CD-CD1 4.35Å; I702-E704 HydrophobicContact CG2-CG 4.24Å
703	A	27.9	Very low	28.5	Very low	93 Å²	93	143.1 Å²	143.1	77%	0.769	73%	0.732	S	S	*	*			trans	-144.1	116.8	137.8	0	0	0	0	0	104.3
704	E	30.1	Very low	28.4	Very low	125 Å²	125	142.7 Å²	142.7	58%	0.584	73%	0.734	S	S	*	*				56.8	129	76	-57.8	-136.9	110.9	0	0	112.2	I702 R706	I702-E704 HydrophobicContact CG2-CG 4.24Å; E704-R706 IonicContact OE1-CZ 3.24Å; E704-R706 VanDerWaalsContact OE1-CZ 3.24Å; E704-R706 IonicContact OE1-NE 3.01Å; E704-R706 PolarHBondContact OE1-NE 3.07Å; E704-R706 IonicContact OE1-NH2 2.67Å; E704-R706 PolarHBondContact OE1-NH2 3.07Å
705	E	28.7	Very low	28.3	Very low	198 Å²	198	147.2 Å²	147.2	93%	0.925	75%	0.745	S	S	*	*			cis	-112	-165	25.7	-64.6	-167.7	100	0	0	116.4
706	R	26.4	Very low	28.3	Very low	195 Å²	195	144.7 Å²	144.7	74%	0.736	74%	0.737	S	S	*	*			trans	-129.1	144	-157.8	-47.8	170	-166.9	162	1.9	112.7	E704	E704-R706 IonicContact OE1-CZ 3.24Å; E704-R706 VanDerWaalsContact OE1-CZ 3.24Å; E704-R706 IonicContact OE1-NE 3.01Å; E704-R706 PolarHBondContact OE1-NE 3.07Å; E704-R706 IonicContact OE1-NH2 2.67Å; E704-R706 PolarHBondContact OE1-NH2 3.07Å
707	R	28.2	Very low	28.4	Very low	237 Å²	237	145.2 Å²	145.2	89%	0.894	74%	0.74	S	S	*	*			trans	177.6	99.5	139.3	-97.4	160	-169.4	-150.9	2.6	108
708	S	28.5	Very low	28.3	Very low	116 Å²	116	144.5 Å²	144.5	81%	0.811	74%	0.737	S	S	*	*				78.4	122.8	69.2	72.4	0	0	0	0	113.3
709	S	28	Very low	28.2	Very low	114 Å²	114	144.3 Å²	144.3	80%	0.797	74%	0.741	S	S	*	*			trans	-82.6	147.4	-171.7	52.2	0	0	0	0	115.2
710	E	29.4	Very low	28.4	Very low	180 Å²	180	147.4 Å²	147.4	84%	0.841	75%	0.752	S	S	*	*			trans	-145.1	139.9	158.2	-106.1	161.5	-165.2	0	0	105.7
711	Q	27.1	Very low	28.4	Very low	158 Å²	158	146.1 Å²	146.1	74%	0.738	75%	0.752	S	S	*	*			cis	65.7	139.7	40.3	-63	-168.5	-11.5	0	0	112.2
712	N	27.8	Very low	28.6	Very low	124 Å²	124	143 Å²	143	66%	0.663	74%	0.738	S	S	*	*			cis	-149.6	151.6	-2.8	-102.5	-14.3	0	0	0	107.5
713	M	24.4	Very low	28.7	Very low	156 Å²	156	144.5 Å²	144.5	77%	0.768	74%	0.742	S	S	*	*				51	107.5	78.3	-78.1	-69.8	-165.4	0	0	116.2
714	T	25.8	Very low	29.2	Very low	129 Å²	129	148.3 Å²	148.3	79%	0.791	74%	0.744	S	S	*	*			trans	-168.9	119.9	138.5	26.8	0	0	0	0	106.7
715	F	27.6	Very low	30	Very low	171 Å²	171	145.8 Å²	145.8	75%	0.75	74%	0.739	S	S	*	*				71.5	135.5	84.7	-81.4	-132.6	0	0	0	112.1
716	D	27.6	Very low	30	Very low	122 Å²	122	142.9 Å²	142.9	65%	0.652	73%	0.729	S	S	*	*			cis	-143.8	138.8	18.3	-105.9	-44.2	0	0	0	111.5
717	S	32.3	Very low	30.1	Very low	95 Å²	95	137.3 Å²	137.3	66%	0.664	72%	0.721	S	S	*	*				72.3	136.5	107.9	86.6	0	0	0	0	115.6
718	E	28.7	Very low	30.1	Very low	166 Å²	166	133.4 Å²	133.4	78%	0.776	71%	0.707	S	S	*	*			cis	-129.6	-160.3	13.8	-62.4	173.8	-168.6	0	0	109.3
719	T	28.3	Very low	30.1	Very low	114 Å²	114	133.4 Å²	133.4	70%	0.699	70%	0.696	S	S	*	*			cis	-143.3	-127.6	4	-35.6	0	0	0	0	111
720	E	31.1	Very low	30.1	Very low	163 Å²	163	131.9 Å²	131.9	76%	0.762	68%	0.676	S	S	*	*			trans	-151.1	161.7	-156.3	-65.1	-173.5	121.6	0	0	112.9
721	L	31.3	Very low	30	Very low	132 Å²	132	128 Å²	128	69%	0.691	67%	0.667	S	S	*	*			cis	-169.9	146	-20	-97.8	173.2	0	0	0	110
722	V	31.9	Very low	30.1	Very low	88 Å²	88	125.6 Å²	125.6	53%	0.533	66%	0.656	S	S	.	*			trans	80.5	123.4	135	166.6	0	0	0	0	124.9
723	E	31.7	Very low	30.1	Very low	158 Å²	158	128 Å²	128	74%	0.738	66%	0.656	S	S	*	*			trans	69.6	134.4	145.5	-74	158.4	-151.8	0	0	125.3	Q930	E723-Q930 PolarHBondContact O-N 3.19Å
724	E	37.8	Very low	30.4	Very low	173 Å²	173	127.4 Å²	127.4	81%	0.808	65%	0.651	S	S	*	*			trans	-79.1	173.2	159.9	-67.6	-176.4	156.2	0	0	110.3
725	P	47.3	Very low	30.5	Very low	73 Å²	73	125.8 Å²	125.8	47%	0.474	65%	0.645	S	S	.	*			cis	-148.6	-172.7	25.3	44.5	-22.8	0	0	0	118.3
726	D	28.4	Very low	30.4	Very low	136 Å²	136	125.4 Å²	125.4	73%	0.727	65%	0.645	S	S	*	*			trans	52.5	138.6	146.8	-71.2	-26.7	0	0	0	125.3	S927	D726-S927 WeakPolarHBondContact O-CB 3.3Å
727	S	28.6	Very low	30.5	Very low	79 Å²	79	126.6 Å²	126.6	55%	0.552	65%	0.647	S	S	*	*			trans	91.6	133.2	139.4	76	0	0	0	0	123.3	S927	S727-S927 WeakPolarHBondContact OG-CB 3.35Å
728	Y	28.4	Very low	30.2	Very low	154 Å²	154	129 Å²	129	60%	0.604	65%	0.653	S	S	*	*			trans	65.3	116.2	135.3	-140.8	-113	0	0	0	123
729	M	28.1	Very low	30.4	Very low	117 Å²	117	126.6 Å²	126.6	58%	0.576	65%	0.654	S	S	*	*			trans	51.9	166.4	136.3	-55.8	-110.1	-86.3	0	0	119.8
730	E	29.4	Very low	30.6	Very low	82 Å²	82	125.3 Å²	125.3	38%	0.383	66%	0.655	S	S	.	*			cis	-144	-139.3	-3.2	-140.4	157.7	175.2	0	0	112.6	E922 E923	E730-E922 HydrophobicContact CG-CG 4.1Å; E730-E922 VanDerWaalsContact CG-OE1 3.29Å; E730-E922 WeakPolarHBondContact CG-OE1 3.35Å; E730-E922 WeakPolarHBondContact OE1-CG 3.4Å; E730-E922 WeakPolarHBondContact OE2-CA 3.25Å; E730-E922 VanDerWaalsContact OE2-CB 3.25Å; E730-E922 WeakPolarHBondContact OE2-CB 3.34Å; E730-E922 WeakPolarHBondContact OE2-CG 3.44Å; E730-E923 PolarHBondContact OE2-N 2.65Å
731	C	26.9	Very low	30.5	Very low	97 Å²	97	126.2 Å²	126.2	66%	0.655	66%	0.659	S	S	*	*			trans	-89	-166.2	-173.4	-57.7	0	0	0	0	112.4	E922	C731-E922 VanDerWaalsContact CB-OE1 3.32Å; C731-E922 WeakPolarHBondContact CB-OE1 3.32Å; C731-E922 PolarHBondContact N-OE1 2.78Å
732	E	28.4	Very low	30.2	Very low	109 Å²	109	126.8 Å²	126.8	51%	0.509	66%	0.658	S	S	.	*			cis	-157.1	-177.3	7.1	-152.3	172	-172.9	0	0	113.3	K921	E732-K921 WeakPolarHBondContact OE2-CE 3.18Å; E732-K921 IonicContact OE2-NZ 2.97Å; E732-K921 PolarHBondContact OE2-NZ 2.92Å
733	R	29.1	Very low	30	Very low	173 Å²	173	129 Å²	129	65%	0.653	67%	0.667	S	S	*	*			trans	-59	150.3	171.2	-53.9	163	-79.6	165.8	-15.3	114.4
734	H	29.5	Very low	29.9	Very low	144 Å²	144	128.5 Å²	128.5	67%	0.667	66%	0.664	S	S	*	*				167.2	161.4	103.5	-99.3	-75.2	0	0	0	114.7
735	S	27.8	Very low	29.4	Very low	96 Å²	96	127.7 Å²	127.7	67%	0.671	66%	0.66	S	S	*	*			trans	64.4	132.5	165.1	34.1	0	0	0	0	117.4
736	E	26.8	Very low	29.3	Very low	162 Å²	162	128.4 Å²	128.4	76%	0.757	67%	0.665	S	S	*	*				71.5	138.5	54.9	-63.9	-175.3	123	0	0	112.5
737	Q	28.2	Very low	29.2	Very low	147 Å²	147	130.4 Å²	130.4	69%	0.687	67%	0.667	S	S	*	*			cis	-159.7	-171.4	11.5	-133.2	162.3	26.1	0	0	113.3
738	D	26.3	Very low	29	Very low	146 Å²	146	133.8 Å²	133.8	78%	0.781	68%	0.678	S	S	*	*			trans	92.3	155.9	149.9	-71.9	-10	0	0	0	123.7
739	S	33	Very low	28.9	Very low	115 Å²	115	131.5 Å²	131.5	80%	0.804	68%	0.68	S	S	*	*			trans	-157.6	151.8	-149	61.4	0	0	0	0	113.6
740	A	32.2	Very low	28.6	Very low	87 Å²	87	133.5 Å²	133.5	72%	0.719	69%	0.688	S	S	*	*			trans	-167.2	156.5	165.6	0	0	0	0	0	108.9
741	E	29.1	Very low	28.3	Very low	182 Å²	182	139.7 Å²	139.7	85%	0.85	71%	0.709	S	S	*	*			cis	-163.8	175.9	-11.1	-109.3	176.9	135.7	0	0	105.8
742	E	26.3	Very low	28.3	Very low	144 Å²	144	138.9 Å²	138.9	67%	0.673	71%	0.705	S	S	*	*			cis	-156.7	168.1	10.6	-150.7	-157.9	149	0	0	108.6
743	L	26.3	Very low	28.5	Very low	136 Å²	136	139.2 Å²	139.2	71%	0.712	72%	0.72	S	S	*	*			trans	66.7	147.3	160	-55.2	164.2	0	0	0	118.1
744	E	29.2	Very low	28.6	Very low	147 Å²	147	138.6 Å²	138.6	69%	0.687	72%	0.724	S	S	*	*			cis	-160.4	156.7	-6.6	-111.1	-149.4	95.7	0	0	106.3
745	Q	29.2	Very low	28.9	Very low	155 Å²	155	139.2 Å²	139.2	72%	0.724	73%	0.727	S	S	*	*			cis	-154.7	-172	-17	-134	-148.5	112.9	0	0	107.1
746	P	44.6	Very low	29	Very low	88 Å²	88	142.6 Å²	142.6	57%	0.571	73%	0.73	S	S	*	*				-137.6	-173.7	-122.8	44.9	-25	0	0	0	118.5
747	K	26.3	Very low	29.3	Very low	178 Å²	178	140.9 Å²	140.9	77%	0.774	73%	0.726	S	S	*	*			trans	89.3	139.2	145.1	-87.3	174.4	-177.9	172	0	121.7
748	L	24.3	Very low	29.8	Very low	150 Å²	150	140.6 Å²	140.6	79%	0.785	73%	0.725	S	S	*	*			trans	66	156.6	163.4	-86.4	84.2	0	0	0	116.6
749	V	25.8	Very low	30.2	Very low	107 Å²	107	140.8 Å²	140.8	65%	0.648	72%	0.718	S	S	*	*			cis	-172.1	141.7	-35.8	113.7	0	0	0	0	107
750	E	22.2	Very low	30.6	Very low	158 Å²	158	142.3 Å²	142.3	74%	0.738	72%	0.718	S	S	*	*			trans	56.3	160.5	159.2	-70.6	176.7	168.4	0	0	123.1
751	Y	23.6	Very low	31.2	Very low	212 Å²	212	146.2 Å²	146.2	83%	0.831	72%	0.721	S	S	*	*			trans	65.7	175.2	153.1	-84.7	-64.5	0	0	0	120.9
752	S	25.9	Very low	31.6	Very low	81 Å²	81	144.9 Å²	144.9	57%	0.566	71%	0.712	S	S	*	*			trans	-138.6	155.7	-144.2	54.5	0	0	0	0	113.3
753	S	33.2	Very low	32.1	Very low	116 Å²	116	143 Å²	143	81%	0.811	71%	0.707	S	S	*	*			trans	63.3	-137.5	159.1	70.1	0	0	0	0	115.7
754	E	31.4	Very low	32.7	Very low	160 Å²	160	143.3 Å²	143.3	75%	0.748	71%	0.709	S	S	*	*			trans	71.3	129.1	-178.7	-66.2	-176.7	-163.5	0	0	117.1
755	E	35	Very low	33	Very low	156 Å²	156	143 Å²	143	73%	0.729	71%	0.713	S	S	*	*			cis	-164.7	-177	-7.2	-137.3	-175.2	-167.3	0	0	114.7
756	K	29.6	Very low	33.4	Very low	168 Å²	168	144.2 Å²	144.2	73%	0.73	72%	0.718	S	S	*	*			trans	105.1	133.3	157.5	-58.6	-159.8	173.9	-127.9	0	117.2
757	D	34.5	Very low	32.8	Very low	126 Å²	126	145 Å²	145	67%	0.674	72%	0.721	S	S	*	*			cis	-162.1	143.6	-3.1	-87.2	-28.3	0	0	0	105.5
758	E	37.1	Very low	33.1	Very low	141 Å²	141	144.5 Å²	144.5	66%	0.659	72%	0.721	S	S	*	*			cis	-151.5	169.5	-2.9	-38.3	173.3	92.1	0	0	110.3
759	K	36.3	Very low	33.4	Very low	150 Å²	150	142.6 Å²	142.6	65%	0.652	72%	0.716	S	S	*	*			trans	72.4	145.7	146.2	-73.2	166.1	-167.6	147.9	0	121.2
760	D	40.2	Very low	33.6	Very low	147 Å²	147	145.4 Å²	145.4	79%	0.786	72%	0.722	S	S	*	*			cis	-145.5	-166.1	15.2	-100.1	-33	0	0	0	113.8
761	E	44.4	Very low	34.1	Very low	168 Å²	168	144.4 Å²	144.4	79%	0.785	72%	0.722	S	S	*	*			trans	-81.4	145.8	-150.2	-49.6	-176.9	121.2	0	0	122.7
762	K	38.9	Very low	34.4	Very low	155 Å²	155	140.9 Å²	140.9	67%	0.674	72%	0.717	S	S	*	*				83	137.3	124.2	-83.8	-178.6	140.3	-69.6	0	128
763	D	37	Very low	34.5	Very low	105 Å²	105	147.1 Å²	147.1	56%	0.561	73%	0.728	S	S	*	*			trans	85.7	110.3	138.1	-59.8	-6.3	0	0	0	125
764	D	37.2	Very low	34.3	Very low	142 Å²	142	150.4 Å²	150.4	76%	0.759	72%	0.724	S	S	*	*				89.9	146.3	127.7	-57.3	-12.4	0	0	0	126.3
765	D	36.9	Very low	34	Very low	141 Å²	141	145.9 Å²	145.9	75%	0.754	71%	0.705	S	S	*	*			trans	73.9	104.2	161	-60.6	-12.8	0	0	0	125.2
766	E	36.5	Very low	33.6	Very low	179 Å²	179	144.3 Å²	144.3	84%	0.836	69%	0.692	S	S	*	*				44.6	148.5	113	-63.3	-161.9	170	0	0	122.5
767	V	33	Very low	33.4	Very low	104 Å²	104	142 Å²	142	63%	0.63	69%	0.687	S	S	*	*			cis	-167.2	151.4	0.6	120.4	0	0	0	0	111.4
768	E	32	Very low	33.1	Very low	168 Å²	168	141.7 Å²	141.7	79%	0.785	69%	0.694	S	S	*	*			trans	32	162.6	151.9	-56.4	-178.1	164.2	0	0	123.9
769	T	30	Very low	32.5	Very low	110 Å²	110	141.9 Å²	141.9	68%	0.675	71%	0.705	S	S	*	*			cis	-165.6	178	-33.5	43	0	0	0	0	109.8
770	E	31.3	Very low	32.6	Very low	166 Å²	166	144.2 Å²	144.2	78%	0.776	72%	0.718	S	S	*	*			trans	76.5	105.8	150.5	-78.6	-177.1	-152.9	0	0	124.3
771	N	31.1	Very low	31.9	Very low	137 Å²	137	145.7 Å²	145.7	73%	0.733	72%	0.721	S	S	*	*				67.6	135	107.9	-74.1	-12.1	0	0	0	126.5
772	L	31.4	Very low	31.1	Very low	139 Å²	139	146 Å²	146	73%	0.728	72%	0.722	S	S	*	*			trans	82.9	101.6	139.3	-70.5	166.4	0	0	0	124.3
773	W	28.6	Very low	30.5	Very low	212 Å²	212	144.6 Å²	144.6	80%	0.803	73%	0.727	S	S	*	*				69.9	161.8	122.6	-83	47.7	0	0	0	123.7
774	Y	27.1	Very low	30.1	Very low	185 Å²	185	147.2 Å²	147.2	73%	0.725	74%	0.736	S	S	*	*			trans	66.5	176.7	178.7	-68.9	-88.1	0	0	0	117.6
775	D	25.2	Very low	29.7	Very low	64 Å²	64	146 Å²	146	34%	0.342	73%	0.729	S	S	.	*				-147.2	167.9	-85.9	-161	17.6	0	0	0	112.3	K915	D775-K915 VanDerWaalsContact CG-CE 3.46Å; D775-K915 VanDerWaalsContact OD1-CE 3.3Å; D775-K915 WeakPolarHBondContact OD1-CE 3.19Å; D775-K915 IonicContact OD1-NZ 3.44Å; D775-K915 PolarHBondContact OD1-NZ 3.41Å; D775-K915 WeakPolarHBondContact OD2-CD 3.46Å; D775-K915 WeakPolarHBondContact OD2-CE 3.48Å; D775-K915 WeakPolarHBondContact OD2-CG 3.36Å; D775-K915 IonicContact OD2-NZ 2.66Å; D775-K915 PolarHBondContact OD2-NZ 3.15Å
776	R	27.1	Very low	29.3	Very low	124 Å²	124	143.7 Å²	143.7	47%	0.468	72%	0.72	S	S	.	*			trans	54.4	149.1	157.3	-87.7	-160.7	-174	-161.3	-2.1	123.4	D913 E914	R776-D913 WeakPolarHBondContact CD-OD1 2.9Å; R776-D913 IonicContact CZ-OD1 2.78Å; R776-D913 IonicContact NE-OD1 3.69Å; R776-D913 IonicContact NH1-OD1 3.96Å; R776-D913 PolarHBondContact NH1-OD1 2.8Å; R776-E914 WeakPolarHBondContact CB-OE1 3.04Å; R776-E914 WeakPolarHBondContact CD-OE1 3.26Å; R776-E914 HydrophobicContact CG-CG 4.25Å; R776-E914 WeakPolarHBondContact CG-OE1 3.33Å
777	N	24.8	Very low	28.9	Very low	118 Å²	118	144 Å²	144	63%	0.631	72%	0.719	S	S	*	*			trans	71.5	153	149.5	-67.3	-21.8	0	0	0	120.1	D913	N777-D913 PolarHBondContact ND2-OD1 2.59Å
778	C	29.1	Very low	28.5	Very low	121 Å²	121	149 Å²	149	82%	0.818	73%	0.726	S	S	*	*			trans	-88.8	141.8	-167	-54.6	0	0	0	0	112.7
779	T	25.3	Very low	28.3	Very low	144 Å²	144	144.9 Å²	144.9	88%	0.883	72%	0.721	S	S	*	*			trans	-154.1	107.6	139.9	8.7	0	0	0	0	109.8
780	E	36.7	Very low	28.2	Very low	200 Å²	200	144.7 Å²	144.7	94%	0.935	72%	0.719	S	S	*	*			trans	-80.8	119.2	163.3	-69.7	-169.3	141	0	0	108.6
781	Q	26.2	Very low	28.1	Very low	178 Å²	178	147.9 Å²	147.9	83%	0.832	72%	0.724	S	S	*	*			trans	-142.9	100.9	160.6	-149.4	165.1	35.8	0	0	112.3
782	E	27.7	Very low	27.8	Very low	174 Å²	174	151.2 Å²	151.2	81%	0.813	73%	0.733	S	S	*	*			trans	17.7	133.6	148.7	-51.9	-174.4	130.2	0	0	120
783	T	27.2	Very low	27.8	Very low	126 Å²	126	153.8 Å²	153.8	77%	0.773	74%	0.738	S	S	*	*				-164.6	126.8	115.5	12.9	0	0	0	0	112.9
784	E	28	Very low	28.1	Very low	160 Å²	160	149.5 Å²	149.5	75%	0.748	74%	0.738	S	S	*	*			trans	61.5	141.5	144	-68.4	-170.9	-157.4	0	0	121.1
785	N	28.3	Very low	28	Very low	116 Å²	116	148.7 Å²	148.7	62%	0.62	74%	0.738	S	S	*	*			cis	-154.1	130.9	6.4	-111.3	-32.2	0	0	0	114.3
786	V	29.4	Very low	28.2	Very low	93 Å²	93	152.4 Å²	152.4	56%	0.564	75%	0.751	S	S	*	*				40.3	130.2	123	-170.5	0	0	0	0	118.6
787	F	26.8	Very low	28.2	Very low	185 Å²	185	151.9 Å²	151.9	81%	0.811	76%	0.758	S	S	*	*			cis	-134.6	145.2	47.6	-82.1	-103.3	0	0	0	112
788	R	25.9	Very low	28.3	Very low	210 Å²	210	152.6 Å²	152.6	79%	0.792	76%	0.761	S	S	*	*			cis	77.4	128.7	44.5	-159.6	176.3	-173.9	170.2	4.8	111.6
789	A	27.3	Very low	28.1	Very low	80 Å²	80	154.8 Å²	154.8	66%	0.661	76%	0.757	S	S	*	*			cis	-153.2	138.8	42.4	0	0	0	0	0	117.5
790	T	27.8	Very low	28.3	Very low	106 Å²	106	154.2 Å²	154.2	65%	0.65	74%	0.744	S	S	*	*			trans	31.6	125.6	135.8	56.9	0	0	0	0	121.4
791	R	29.9	Very low	27.9	Very low	234 Å²	234	150.7 Å²	150.7	88%	0.883	73%	0.731	S	S	*	*				64.2	134.3	61.4	-73.5	-170.2	178.9	170.9	1.7	115.7
792	F	23.5	Very low	28.1	Very low	206 Å²	206	150.4 Å²	150.4	90%	0.904	73%	0.729	S	S	*	*				-150.3	139.9	126.1	-106.5	-72.5	0	0	0	112
793	F	31.3	Very low	28.2	Very low	194 Å²	194	150.3 Å²	150.3	85%	0.851	73%	0.734	S	S	*	*			trans	-138.8	159.9	167.3	-104.6	-82.1	0	0	0	105.6
794	P	35.4	Very low	28.4	Very low	122 Å²	122	149.8 Å²	149.8	79%	0.792	74%	0.735	S	S	*	*			trans	-119.5	139.2	146.3	34.1	-26.4	0	0	0	113.1
795	K	25.2	Very low	28.3	Very low	167 Å²	167	145.9 Å²	145.9	73%	0.726	74%	0.738	S	S	*	*			trans	-86.7	179.4	160.2	-98.7	173.7	158	-162.4	0	108.1
796	F	29.9	Very low	28.5	Very low	142 Å²	142	148.4 Å²	148.4	62%	0.623	75%	0.749	S	S	*	*			cis	-166.5	166.3	16.7	-124.8	-33.7	0	0	0	108.7
797	D	26.3	Very low	29.8	Very low	113 Å²	113	148.1 Å²	148.1	60%	0.604	75%	0.75	S	S	*	*			trans	57.5	154.9	139.1	-61	-17.2	0	0	0	123
798	L	26.8	Very low	30.1	Very low	134 Å²	134	146.8 Å²	146.8	70%	0.702	75%	0.746	S	S	*	*			cis	-165.7	144.9	-24.8	-115	167.5	0	0	0	110.7
799	K	25.9	Very low	30.3	Very low	167 Å²	167	143.9 Å²	143.9	73%	0.726	74%	0.741	S	S	*	*			trans	72.2	148.2	146.2	-103.4	173.8	176.1	-166.1	0	124
800	H	29.3	Very low	30.4	Very low	132 Å²	132	146.2 Å²	146.2	61%	0.611	74%	0.738	S	S	*	*			trans	74.3	104.8	156.5	-68.9	-65.1	0	0	0	123
801	D	28.9	Very low	30.4	Very low	125 Å²	125	149.9 Å²	149.9	67%	0.668	75%	0.748	S	S	*	*				77.2	131	118.2	-55	-5.2	0	0	0	124.4
802	H	29.8	Very low	30.3	Very low	172 Å²	172	141.8 Å²	141.8	80%	0.796	74%	0.738	S	S	*	*			trans	28.7	113	147.5	-56.8	-65.6	0	0	0	120.9
803	L	29.2	Very low	32	Very low	173 Å²	173	138.1 Å²	138.1	91%	0.906	73%	0.734	S	S	*	*				-173.7	167.9	102.8	-101.6	163.6	0	0	0	113.3
804	S	32.1	Very low	32	Very low	114 Å²	114	137.4 Å²	137.4	80%	0.797	73%	0.734	S	S	*	*			trans	-92.9	146	178.5	47.5	0	0	0	0	112.7
805	G	26.4	Very low	31.9	Very low	78 Å²	78	138 Å²	138	80%	0.804	73%	0.731	S	S	*	*			trans	-175	116.2	174.4	0	0	0	0	0	114.4
806	I	32.5	Very low	32.4	Very low	169 Å²	169	135.1 Å²	135.1	87%	0.867	73%	0.731	S	S	*	*			trans	-109.8	171.9	161.4	6.1	173.3	0	0	0	106.5
807	P	56.6	Low	32.6	Very low	87 Å²	87	137.7 Å²	137.7	57%	0.565	75%	0.745	S	S	*	*			cis	-141.1	-153.9	1.9	35.2	-10.2	0	0	0	114
808	E	32	Very low	32.8	Very low	157 Å²	157	136.1 Å²	136.1	73%	0.734	76%	0.756	S	S	*	*			trans	68.5	115.7	145.3	-76.7	158.3	-167.2	0	0	118.7
809	E	29.8	Very low	32.9	Very low	150 Å²	150	136.5 Å²	136.5	70%	0.701	76%	0.759	S	S	*	*				112.6	163.2	95.1	-88.9	-166.8	149.6	0	0	110.3
810	Q	29.9	Very low	33.1	Very low	128 Å²	128	135.8 Å²	135.8	60%	0.598	77%	0.768	S	S	*	*			cis	-156.6	163	-8.1	-127.8	176.9	34.5	0	0	108.4
811	E	27.7	Very low	33.3	Very low	184 Å²	184	134.8 Å²	134.8	86%	0.86	77%	0.771	S	S	*	*			trans	56.9	175.9	158.5	-59.9	-174.3	159	0	0	116.9
812	G	27.3	Very low	33.6	Very low	64 Å²	64	134.8 Å²	134.8	66%	0.66	78%	0.775	S	S	*	*			cis	-161.1	176.7	-1.6	0	0	0	0	0	110.8
813	P	60.9	Low	33.6	Very low	128 Å²	128	134 Å²	134	83%	0.831	77%	0.772	S	S	*	*			trans	-106	-149.7	-157	42.2	-37.4	0	0	0	115.7
814	E	30.6	Very low	33.7	Very low	179 Å²	179	132.7 Å²	132.7	84%	0.836	76%	0.761	S	S	*	*			trans	88.6	136.6	-179	-64	-176	-165.1	0	0	116.7
815	D	32.4	Very low	33.5	Very low	136 Å²	136	133 Å²	133	73%	0.727	76%	0.758	S	S	*	*			cis	-165.7	155.5	-23	-138.6	-6.4	0	0	0	113.2
816	S	36.3	Very low	33.6	Very low	105 Å²	105	135.6 Å²	135.6	73%	0.734	76%	0.758	S	S	*	*			trans	60.1	162.2	157.6	78.5	0	0	0	0	119.7
817	E	33.7	Very low	33.3	Very low	196 Å²	196	136.6 Å²	136.6	92%	0.916	76%	0.759	S	S	*	*			cis	-159.4	155.9	-18.2	-122.8	-174	-169.2	0	0	108.8
818	G	30.6	Very low	32.1	Very low	81 Å²	81	136.6 Å²	136.6	84%	0.835	77%	0.766	S	S	*	*			trans	161.4	87.8	169.8	0	0	0	0	0	118.5
819	N	29.1	Very low	32.2	Very low	142 Å²	142	138.2 Å²	138.2	76%	0.759	77%	0.774	S	S	*	*			trans	-84.5	139.7	-179.6	-84.4	-60.4	0	0	0	115.5	V821	N819-V821 HydrophobicContact CB-CG2 4.38Å; N819-V821 WeakPolarHBondContact OD1-CG2 3.26Å
820	V	30.7	Very low	32.2	Very low	152 Å²	152	139.6 Å²	139.6	92%	0.921	78%	0.777	S	S	*	*			trans	-143.2	137	130.8	-177.6	0	0	0	0	108.3
821	V	32.9	Very low	32.3	Very low	110 Å²	110	139.3 Å²	139.3	67%	0.667	78%	0.776	S	S	*	*			trans	-146.4	137.4	-158.4	173.5	0	0	0	0	109	N819	N819-V821 HydrophobicContact CB-CG2 4.38Å; N819-V821 WeakPolarHBondContact OD1-CG2 3.26Å
822	V	34.8	Very low	32.3	Very low	126 Å²	126	136.3 Å²	136.3	76%	0.764	77%	0.766	S	S	*	*			cis	-136.5	-164.4	-3.1	61.6	0	0	0	0	108.7
823	E	30.8	Very low	32.5	Very low	156 Å²	156	140.1 Å²	140.1	73%	0.729	77%	0.77	S	S	*	*				160.9	140.4	98.1	-177.8	155.8	-125.8	0	0	108.9
824	Q	31.8	Very low	30.9	Very low	144 Å²	144	141.6 Å²	141.6	67%	0.673	77%	0.766	S	S	*	*			cis	-156.1	173.4	-9.3	-131.7	-173.3	93.8	0	0	109.9
825	V	27.9	Very low	30.8	Very low	120 Å²	120	141.7 Å²	141.7	73%	0.727	76%	0.764	S	S	*	*			trans	65	125.6	158.2	171.2	0	0	0	0	117.5
826	V	27.1	Very low	30.4	Very low	134 Å²	134	143.8 Å²	143.8	81%	0.812	77%	0.77	S	S	*	*			cis	-148	148.7	-8.6	120.2	0	0	0	0	108.2
827	Q	26.2	Very low	29.9	Very low	190 Å²	190	142.6 Å²	142.6	89%	0.888	77%	0.774	S	S	*	*			trans	-129.4	149.4	174.3	-167.6	165	-2.2	0	0	110.2
828	A	31.9	Very low	29.6	Very low	87 Å²	87	140 Å²	140	72%	0.719	77%	0.767	S	S	*	*			trans	-82.6	144.3	-178.1	0	0	0	0	0	112.4
829	Q	34.4	Very low	29.6	Very low	190 Å²	190	144.6 Å²	144.6	89%	0.888	76%	0.759	S	S	*	*			trans	174.2	167.2	131.7	-99.1	179.8	6.7	0	0	111.2
830	K	30	Very low	29.6	Very low	180 Å²	180	147.8 Å²	147.8	78%	0.783	77%	0.766	S	S	*	*			trans	115.4	143	-179.8	-72.8	-165.8	154.8	-153	0	112.6
831	E	30.9	Very low	29.8	Very low	121 Å²	121	147.2 Å²	147.2	57%	0.565	75%	0.753	S	S	*	*			cis	-160.5	160.8	7.2	-130.9	174.5	-159.8	0	0	112.3
832	N	29	Very low	30	Very low	122 Å²	122	146.3 Å²	146.3	65%	0.652	76%	0.757	S	S	*	*			trans	62.9	175.3	142.4	-70.7	-15.2	0	0	0	120
833	L	31	Very low	30	Very low	143 Å²	143	148.1 Å²	148.1	75%	0.749	75%	0.754	S	S	*	*				-159.8	-168.9	-52.1	-143.7	152.9	0	0	0	105.6
834	E	27.3	Very low	30.1	Very low	160 Å²	160	144.2 Å²	144.2	75%	0.748	75%	0.749	S	S	*	*			trans	-84	160.4	-163.5	-64.2	168.8	110.9	0	0	117.2
835	F	27.5	Very low	30	Very low	180 Å²	180	144.2 Å²	144.2	79%	0.789	75%	0.749	S	S	*	*			trans	98.2	149.3	134.9	-126	-100	0	0	0	122.8
836	E	25.5	Very low	30.4	Very low	181 Å²	181	142.4 Å²	142.4	85%	0.846	75%	0.746	S	S	*	*			trans	71.9	137.9	161.6	-121.7	168.4	-128	0	0	121.3
837	G	24.8	Very low	31.6	Very low	80 Å²	80	142 Å²	142	83%	0.825	75%	0.747	S	S	*	*			trans	157.5	58.5	177.7	0	0	0	0	0	116.4
838	D	28.2	Very low	32	Very low	142 Å²	142	137.3 Å²	137.3	76%	0.759	74%	0.735	S	S	*	*			trans	-86.3	163.7	-169.4	-167.4	19	0	0	0	115.7
839	R	30.7	Very low	32	Very low	177 Å²	177	139.8 Å²	139.8	67%	0.668	74%	0.736	S	S	*	*			trans	65.7	128.7	161	-90	175.6	155	128.4	-9.8	121	E841	R839-E841 IonicContact CZ-OE1 3.18Å; R839-E841 IonicContact NE-OE1 2.79Å; R839-E841 PolarHBondContact NE-OE1 2.91Å; R839-E841 IonicContact NH2-OE1 2.71Å; R839-E841 PolarHBondContact NH2-OE1 3.38Å
840	K	28.3	Very low	31.8	Very low	208 Å²	208	135.9 Å²	135.9	90%	0.904	73%	0.725	S	S	*	*				-140.4	135.6	102.6	-73.6	-159.8	178.9	174.5	0	112.8
841	E	34.7	Very low	31.9	Very low	141 Å²	141	134 Å²	134	66%	0.659	72%	0.722	S	S	*	*			trans	-73.5	155.8	164.1	-71.1	155.3	-150.7	0	0	110.2	R839	R839-E841 IonicContact CZ-OE1 3.18Å; R839-E841 IonicContact NE-OE1 2.79Å; R839-E841 PolarHBondContact NE-OE1 2.91Å; R839-E841 IonicContact NH2-OE1 2.71Å; R839-E841 PolarHBondContact NH2-OE1 3.38Å
842	A	37.3	Very low	31.9	Very low	90 Å²	90	133.6 Å²	133.6	74%	0.744	73%	0.728	S	S	*	*			cis	-162.5	-169.6	-17.5	0	0	0	0	0	105.8
843	K	34.4	Very low	32	Very low	164 Å²	164	134.2 Å²	134.2	71%	0.713	73%	0.727	S	S	*	*			cis	-156.2	-172.8	6.7	-145.9	-162.8	170	-161.8	0	105.1	E845	K843-E845 WeakPolarHBondContact CE-OE1 3.22Å; K843-E845 IonicContact NZ-OE1 2.74Å; K843-E845 PolarHBondContact NZ-OE1 3.28Å; K843-E845 IonicContact NZ-OE2 3.23Å; K843-E845 PolarHBondContact NZ-OE2 3.33Å
844	A	33.2	Very low	32.1	Very low	75 Å²	75	134.4 Å²	134.4	62%	0.62	72%	0.722	S	S	*	*			cis	-160.8	-178.9	7.5	0	0	0	0	0	108.3
845	E	29.8	Very low	32.1	Very low	144 Å²	144	134.7 Å²	134.7	67%	0.673	72%	0.723	S	S	*	*			cis	-141.8	-124.7	1.1	-164.7	60.1	-92.2	0	0	108.9	K843	K843-E845 WeakPolarHBondContact CE-OE1 3.22Å; K843-E845 IonicContact NZ-OE1 2.74Å; K843-E845 PolarHBondContact NZ-OE1 3.28Å; K843-E845 IonicContact NZ-OE2 3.23Å; K843-E845 PolarHBondContact NZ-OE2 3.33Å
846	A	35.6	Very low	32.5	Very low	81 Å²	81	130.5 Å²	130.5	67%	0.669	72%	0.721	S	S	*	*			trans	-165.4	171.9	178.7	0	0	0	0	0	110.5
847	P	52.3	Low	33.1	Very low	126 Å²	126	128 Å²	128	82%	0.818	72%	0.721	S	S	*	*			cis	-103.2	-144.4	-13.3	39.6	-25.7	0	0	0	109.3
848	S	35.4	Very low	33.4	Very low	91 Å²	91	132.7 Å²	132.7	64%	0.636	72%	0.721	S	S	*	*			cis	-158.2	-160.1	-5.1	64.5	0	0	0	0	108.3
849	D	31.3	Very low	33.3	Very low	139 Å²	139	133 Å²	133	74%	0.743	72%	0.722	S	S	*	*			cis	-168.9	162.5	-4.4	-109.6	-33.1	0	0	0	106.4
850	V	30.2	Very low	33.2	Very low	109 Å²	109	129.3 Å²	129.3	66%	0.661	72%	0.724	S	S	*	*			cis	-154.4	117.8	-16.5	75.7	0	0	0	0	111.2
851	I	32.7	Very low	33.1	Very low	139 Å²	139	127.3 Å²	127.3	71%	0.713	72%	0.718	S	S	*	*			trans	52.2	103.7	137.9	-59.5	-179.8	0	0	0	121.9
852	T	30.4	Very low	32.6	Very low	113 Å²	113	126.3 Å²	126.3	69%	0.693	72%	0.721	S	S	*	*				49.4	157.5	127	76.8	0	0	0	0	122.6
853	E	32.1	Very low	32.1	Very low	135 Å²	135	128.5 Å²	128.5	63%	0.631	73%	0.725	S	S	*	*			cis	-169.6	168.4	-9.9	-115.2	-179.4	-148.5	0	0	111.1
854	K	32.1	Very low	31.6	Very low	147 Å²	147	127.6 Å²	127.6	64%	0.639	72%	0.721	S	S	*	*			trans	70.7	139.3	142.2	-84.5	-179.9	168.2	99.1	0	124.5
855	E	28.5	Very low	32.1	Very low	166 Å²	166	128.2 Å²	128.2	78%	0.776	72%	0.719	S	S	*	*			trans	69.8	149.2	136.9	-71.3	165.4	-152.6	0	0	121.8
856	A	34.8	Very low	32	Very low	92 Å²	92	129 Å²	129	76%	0.76	72%	0.723	S	S	*	*			trans	-133.5	147.6	172.6	0	0	0	0	0	109.2
857	P	38.8	Very low	31.7	Very low	130 Å²	130	131.4 Å²	131.4	84%	0.844	72%	0.72	S	S	*	*				-141.9	172.4	129.5	37.5	-24.5	0	0	0	113.5
858	Q	30.9	Very low	30.5	Very low	177 Å²	177	128.3 Å²	128.3	83%	0.827	71%	0.711	S	S	*	*			trans	-96.6	148.6	167.7	-63.7	-177	-0.4	0	0	111.1
859	L	26.8	Very low	30.3	Very low	148 Å²	148	131.6 Å²	131.6	78%	0.775	72%	0.716	S	S	*	*				173.2	155.9	114.5	-119.9	85.8	0	0	0	113.6
860	S	27.6	Very low	30.2	Very low	100 Å²	100	132.1 Å²	132.1	70%	0.699	72%	0.716	S	S	*	*			trans	71.7	154.5	148.1	81	0	0	0	0	118.3
861	E	27.1	Very low	30.1	Very low	166 Å²	166	133.2 Å²	133.2	78%	0.776	72%	0.718	S	S	*	*			cis	-162	168.1	0.6	-141.8	173.1	-140.2	0	0	114.3
862	T	23.9	Very low	30	Very low	120 Å²	120	135.6 Å²	135.6	74%	0.736	73%	0.726	S	S	*	*			trans	69.2	154	164.7	69.3	0	0	0	0	117.6
863	V	25.3	Very low	30	Very low	136 Å²	136	138.1 Å²	138.1	82%	0.824	73%	0.73	S	S	*	*			cis	-138.7	151.9	19.6	172	0	0	0	0	111.6
864	K	24	Very low	29.7	Very low	146 Å²	146	138.1 Å²	138.1	64%	0.635	73%	0.733	S	S	*	*			trans	-106	167.4	171.2	-116.1	-163.7	178.9	-155.3	0	110.3	E867	K864-E867 VanDerWaalsContact CE-OE1 3.23Å; K864-E867 WeakPolarHBondContact CE-OE1 3.28Å; K864-E867 WeakPolarHBondContact CE-OE2 2.99Å; K864-E867 IonicContact NZ-OE1 3.89Å; K864-E867 PolarHBondContact NZ-OE1 3.25Å; K864-E867 IonicContact NZ-OE2 3.63Å; K864-E867 PolarHBondContact NZ-OE2 3.18Å
865	P	43.5	Very low	29.4	Very low	87 Å²	87	135.7 Å²	135.7	57%	0.565	74%	0.735	S	S	*	*			cis	-153.4	-173.2	46.8	43.7	-22.6	0	0	0	118.5
866	E	28.9	Very low	29.2	Very low	162 Å²	162	134.9 Å²	134.9	76%	0.757	73%	0.734	S	S	*	*			trans	71.7	112.1	154.9	-73.5	138.7	-129.5	0	0	117.4
867	E	28.1	Very low	28.8	Very low	130 Å²	130	137 Å²	137	61%	0.607	73%	0.732	S	S	*	*			cis	74	140.8	7.5	-42	164	-80.2	0	0	115.8	K864	K864-E867 VanDerWaalsContact CE-OE1 3.23Å; K864-E867 WeakPolarHBondContact CE-OE1 3.28Å; K864-E867 WeakPolarHBondContact CE-OE2 2.99Å; K864-E867 IonicContact NZ-OE1 3.89Å; K864-E867 PolarHBondContact NZ-OE1 3.25Å; K864-E867 IonicContact NZ-OE2 3.63Å; K864-E867 PolarHBondContact NZ-OE2 3.18Å
868	G	28.1	Very low	28.3	Very low	61 Å²	61	137 Å²	137	63%	0.629	73%	0.725	S	S	*	*			cis	-95.2	-125.4	-3.9	0	0	0	0	0	116
869	E	30.3	Very low	28.2	Very low	160 Å²	160	134.8 Å²	134.8	75%	0.748	72%	0.723	S	S	*	*			cis	-170.9	142.7	-0.1	-119.8	143.7	-76.8	0	0	112.8
870	M	29.6	Very low	28.3	Very low	150 Å²	150	135.1 Å²	135.1	74%	0.739	72%	0.721	S	S	*	*			trans	58.7	146.5	154.9	-59.6	-173.2	-65.4	0	0	122.5
871	D	28.4	Very low	28.4	Very low	132 Å²	132	137.6 Å²	137.6	71%	0.706	73%	0.726	S	S	*	*			cis	-166.7	167.4	-15.5	-104	-14.1	0	0	0	114
872	E	31.7	Very low	28.5	Very low	189 Å²	189	135.3 Å²	135.3	88%	0.883	72%	0.724	S	S	*	*			trans	68	180	148.9	-80	-172.1	172.1	0	0	123.8
873	E	29	Very low	28.7	Very low	166 Å²	166	135.8 Å²	135.8	78%	0.776	73%	0.726	S	S	*	*			trans	-123.4	160.3	-147.4	-59.4	-169.7	125.5	0	0	115.8
874	I	26.5	Very low	28.9	Very low	135 Å²	135	138.2 Å²	138.2	69%	0.692	73%	0.728	S	S	*	*			trans	60.2	135.9	137.2	-72	165.8	0	0	0	121.5
875	S	25.2	Very low	29.2	Very low	97 Å²	97	137 Å²	137	68%	0.678	73%	0.725	S	S	*	*			trans	91.8	131.3	147.6	72.2	0	0	0	0	124.4
876	I	25.8	Very low	28.5	Very low	148 Å²	148	140.2 Å²	140.2	76%	0.759	73%	0.733	S	S	*	*				81.4	110.4	127.9	-73.7	170	0	0	0	122.7
877	L	26.3	Very low	28.7	Very low	138 Å²	138	140.8 Å²	140.8	72%	0.723	73%	0.728	S	S	*	*			trans	57	121.2	133.5	-55.3	178.8	0	0	0	125.1
878	N	26.4	Very low	28.7	Very low	130 Å²	130	142.3 Å²	142.3	70%	0.695	73%	0.733	S	S	*	*				80.9	169.4	122.2	-66.2	22.1	0	0	0	123.7
879	V	29.9	Very low	28.8	Very low	129 Å²	129	148.4 Å²	148.4	78%	0.782	74%	0.744	S	S	*	*			trans	84.6	102.9	-171.7	-172	0	0	0	0	112.6
880	E	28.9	Very low	28.7	Very low	155 Å²	155	143.9 Å²	143.9	72%	0.724	74%	0.741	S	S	*	*			cis	90	126.2	39.3	-64.5	-176	159.6	0	0	115.5
881	D	29.4	Very low	29	Very low	152 Å²	152	144.4 Å²	144.4	81%	0.813	74%	0.742	S	S	*	*			trans	169.8	104.7	154.3	-92.9	-22	0	0	0	106.6
882	T	28.4	Very low	29.2	Very low	119 Å²	119	144.1 Å²	144.1	73%	0.73	73%	0.734	S	S	*	*				74.8	152.4	55.2	79.8	0	0	0	0	115.2
883	V	28.2	Very low	29.4	Very low	130 Å²	130	142.4 Å²	142.4	79%	0.788	73%	0.726	S	S	*	*				-161.7	177.3	-74.7	152.9	0	0	0	0	107.8
884	E	29.5	Very low	29.4	Very low	186 Å²	186	141.3 Å²	141.3	87%	0.869	72%	0.724	S	S	*	*			trans	76.6	153.1	172.6	-46.3	-162.8	148.4	0	0	119.3
885	E	30.8	Very low	29.6	Very low	121 Å²	121	140.1 Å²	140.1	57%	0.565	72%	0.723	S	S	*	*			cis	-134.6	-137.5	-25.9	-155.2	-163.3	-113.2	0	0	108.6	R887	E885-R887 WeakPolarHBondContact OE1-CD 3.44Å; E885-R887 IonicContact OE1-CZ 2.68Å; E885-R887 IonicContact OE1-NE 2.65Å; E885-R887 IonicContact OE1-NH1 2.72Å; E885-R887 PolarHBondContact OE1-NH1 2.97Å; E885-R887 WeakPolarHBondContact OE2-CG 3.47Å; E885-R887 PolarHBondContact OE2-N 2.78Å
886	E	30.1	Very low	30	Very low	155 Å²	155	143.5 Å²	143.5	72%	0.724	73%	0.728	S	S	*	*			cis	-123.3	144.3	8.7	-160.1	-154.8	-157.9	0	0	112.8	K888	E886-K888 IonicContact OE1-NZ 2.68Å; E886-K888 PolarHBondContact OE1-NZ 2.71Å; E886-K888 IonicContact OE2-NZ 2.89Å; E886-K888 PolarHBondContact OE2-NZ 2.78Å
887	R	31.3	Very low	30.3	Very low	173 Å²	173	145.2 Å²	145.2	65%	0.653	73%	0.733	S	S	*	*			trans	-74.4	171.3	170	-66.3	155.9	158.4	129.1	-12.3	114.3	E885	E885-R887 WeakPolarHBondContact OE1-CD 3.44Å; E885-R887 IonicContact OE1-CZ 2.68Å; E885-R887 IonicContact OE1-NE 2.65Å; E885-R887 IonicContact OE1-NH1 2.72Å; E885-R887 PolarHBondContact OE1-NH1 2.97Å; E885-R887 WeakPolarHBondContact OE2-CG 3.47Å; E885-R887 PolarHBondContact OE2-N 2.78Å
888	K	28.4	Very low	30.4	Very low	163 Å²	163	141.2 Å²	141.2	71%	0.709	73%	0.725	S	S	*	*				-156.7	120	129.1	-114.1	162.6	-148.5	68.5	0	114.9	E886	E886-K888 IonicContact OE1-NZ 2.68Å; E886-K888 PolarHBondContact OE1-NZ 2.71Å; E886-K888 IonicContact OE2-NZ 2.89Å; E886-K888 PolarHBondContact OE2-NZ 2.78Å
889	E	31.6	Very low	30.6	Very low	188 Å²	188	140.4 Å²	140.4	88%	0.879	73%	0.73	S	S	*	*			trans	-99.7	179	165.8	-59.9	178.7	116.8	0	0	110.9
890	G	27.1	Very low	30.5	Very low	66 Å²	66	141.7 Å²	141.7	68%	0.68	73%	0.731	S	S	*	*			trans	175.8	133.1	154.4	0	0	0	0	0	110
891	E	35.7	Very low	31.5	Very low	161 Å²	161	138.3 Å²	138.3	75%	0.752	72%	0.722	S	S	*	*			cis	-153.2	165.2	-0.2	-71.5	-158.2	126.9	0	0	107.2
892	K	33.8	Very low	31.4	Very low	125 Å²	125	139 Å²	139	54%	0.543	72%	0.721	S	S	.	*			cis	-168.5	151.7	14.5	-137.5	178.2	-174.5	77	0	110.7
893	E	34.4	Very low	31.4	Very low	154 Å²	154	138.6 Å²	138.6	72%	0.72	72%	0.718	S	S	*	*			trans	58.3	139.9	138.4	-87.9	162.6	-150.7	0	0	120.1
894	I	29.8	Very low	31.3	Very low	142 Å²	142	141.6 Å²	141.6	73%	0.728	72%	0.723	S	S	*	*			cis	-154.5	129.2	29.7	-68.8	-168.9	0	0	0	113.1
895	V	29.8	Very low	31.1	Very low	111 Å²	111	136.7 Å²	136.7	67%	0.673	72%	0.723	S	S	*	*			trans	49.5	124.8	139.1	179.3	0	0	0	0	124.2
896	E	33.8	Very low	30.8	Very low	167 Å²	167	136 Å²	136	78%	0.78	73%	0.732	S	S	*	*			trans	35.1	157.7	134.4	-55.5	167.3	164.8	0	0	122
897	E	32.1	Very low	30.7	Very low	184 Å²	184	136.4 Å²	136.4	86%	0.86	73%	0.733	S	S	*	*			cis	-160.3	167.3	-1.9	-123.1	-179.7	175.5	0	0	106.3
898	G	29.6	Very low	30.4	Very low	55 Å²	55	133.6 Å²	133.6	57%	0.567	74%	0.736	S	S	*	*			cis	167.1	174.2	1.3	0	0	0	0	0	111.5
899	S	28.9	Very low	30.3	Very low	113 Å²	113	132.9 Å²	132.9	79%	0.79	74%	0.738	S	S	*	*			trans	65.4	135.8	169.6	48.3	0	0	0	0	120.9
900	I	27.8	Very low	30	Very low	156 Å²	156	130.1 Å²	130.1	80%	0.8	73%	0.729	S	S	*	*			cis	95.1	136.4	30.6	-74.2	169.4	0	0	0	112.8
901	P	50.4	Low	30.2	Very low	84 Å²	84	133.2 Å²	133.2	55%	0.545	73%	0.729	S	S	.	*			cis	-146.9	-165.1	-16.5	38.1	-15.4	0	0	0	116.7
902	E	28.7	Very low	30	Very low	166 Å²	166	130.2 Å²	130.2	78%	0.776	72%	0.722	S	S	*	*			trans	66.2	153.3	137.9	-83.8	151.8	-121.7	0	0	121.5
903	T	27.3	Very low	30.1	Very low	111 Å²	111	128.2 Å²	128.2	68%	0.681	72%	0.717	S	S	*	*			cis	-161.3	176.4	-24.8	10.8	0	0	0	0	110
904	E	26.3	Very low	30.3	Very low	192 Å²	192	125.2 Å²	125.2	90%	0.897	70%	0.703	S	S	*	*			trans	12	135.7	148.3	-58.4	-178.9	175.4	0	0	120.6
905	G	24.5	Very low	30.6	Very low	84 Å²	84	123.5 Å²	123.5	87%	0.866	69%	0.69	S	S	*	*			trans	-171.4	126.1	164.5	0	0	0	0	0	113.6
906	S	26.1	Very low	30.7	Very low	106 Å²	106	124.6 Å²	124.6	74%	0.741	69%	0.692	S	S	*	*			trans	-107.8	164.6	179.1	58.5	0	0	0	0	112.8
907	E	26.4	Very low	30.8	Very low	163 Å²	163	122.3 Å²	122.3	76%	0.762	69%	0.685	S	S	*	*			trans	68.1	114.6	152.4	-75.5	-177.1	174.2	0	0	121.1
908	T	25.3	Very low	30.9	Very low	115 Å²	115	121.3 Å²	121.3	71%	0.706	68%	0.68	S	S	*	*			trans	73.2	158.6	136.2	67.3	0	0	0	0	120.4
909	I	26.9	Very low	30.9	Very low	148 Å²	148	124.7 Å²	124.7	76%	0.759	69%	0.689	S	S	*	*			trans	68.8	125.8	160.9	-68	158.5	0	0	0	114.4
910	D	25.6	Very low	31.5	Very low	129 Å²	129	126.7 Å²	126.7	69%	0.69	69%	0.69	S	S	*	*			cis	-169.9	-164	-13.7	-136	-39.5	0	0	0	107.9
911	I	31.4	Very low	31.8	Very low	132 Å²	132	125.1 Å²	125.1	68%	0.677	68%	0.678	S	S	*	*			trans	30.1	121.5	136.2	-66.7	163.4	0	0	0	117.1
912	T	31	Very low	31.2	Very low	98 Å²	98	124 Å²	124	60%	0.601	67%	0.666	S	S	*	*			cis	-176.5	167.9	13.7	20.3	0	0	0	0	108.8
913	D	36.6	Very low	31.6	Very low	82 Å²	82	123.4 Å²	123.4	44%	0.439	66%	0.663	S	S	.	*			trans	53.8	149.6	141.3	-55.3	-23.4	0	0	0	120.5	R776 N777	R776-D913 WeakPolarHBondContact CD-OD1 2.9Å; R776-D913 IonicContact CZ-OD1 2.78Å; R776-D913 IonicContact NE-OD1 3.69Å; R776-D913 IonicContact NH1-OD1 3.96Å; R776-D913 PolarHBondContact NH1-OD1 2.8Å; N777-D913 PolarHBondContact ND2-OD1 2.59Å
914	E	37.3	Very low	31.9	Very low	92 Å²	92	124.3 Å²	124.3	43%	0.43	66%	0.663	S	S	.	*			cis	-148.1	-167.1	-0.7	-134.4	170.3	-154.6	0	0	113	R776	R776-E914 WeakPolarHBondContact CB-OE1 3.04Å; R776-E914 WeakPolarHBondContact CD-OE1 3.26Å; R776-E914 HydrophobicContact CG-CG 4.25Å; R776-E914 WeakPolarHBondContact CG-OE1 3.33Å
915	K	37	Very low	32.1	Very low	106 Å²	106	119.7 Å²	119.7	46%	0.461	65%	0.652	S	S	.	*			trans	-37.9	149.6	173.2	-88.1	-175.8	-178.7	151.1	0	119.3	D775	D775-K915 VanDerWaalsContact CG-CE 3.46Å; D775-K915 VanDerWaalsContact OD1-CE 3.3Å; D775-K915 WeakPolarHBondContact OD1-CE 3.19Å; D775-K915 IonicContact OD1-NZ 3.44Å; D775-K915 PolarHBondContact OD1-NZ 3.41Å; D775-K915 WeakPolarHBondContact OD2-CD 3.46Å; D775-K915 WeakPolarHBondContact OD2-CE 3.48Å; D775-K915 WeakPolarHBondContact OD2-CG 3.36Å; D775-K915 IonicContact OD2-NZ 2.66Å; D775-K915 PolarHBondContact OD2-NZ 3.15Å
916	L	32.3	Very low	32.3	Very low	134 Å²	134	119.5 Å²	119.5	70%	0.702	64%	0.643	S	S	*	*			trans	63.2	160.8	133.8	-60.5	178.2	0	0	0	117.8
917	D	35.2	Very low	32.9	Very low	119 Å²	119	117.3 Å²	117.3	64%	0.636	63%	0.627	S	S	*	*			cis	-146.8	174.5	-2	-132.2	-31	0	0	0	113.3
918	E	33.5	Very low	33.3	Very low	162 Å²	162	115.8 Å²	115.8	76%	0.757	62%	0.623	S	S	*	*			trans	13.9	139.3	150.5	-84.9	-166.4	149.4	0	0	124.2
919	V	30.4	Very low	33.6	Very low	126 Å²	126	115 Å²	115	76%	0.764	61%	0.614	S	S	*	*			trans	94.3	128.3	133.3	165.2	0	0	0	0	121.1
920	L	42.5	Very low	33.9	Very low	155 Å²	155	112.1 Å²	112.1	81%	0.812	60%	0.598	S	S	*	*			trans	-67.1	163	173.1	-56.5	157.6	0	0	0	113
921	K	33.8	Very low	34.2	Very low	124 Å²	124	115.4 Å²	115.4	54%	0.539	60%	0.6	S	S	.	*			trans	171	152.5	144.4	-86	-129.9	157.5	-158	0	109.5	E732	E732-K921 WeakPolarHBondContact OE2-CE 3.18Å; E732-K921 IonicContact OE2-NZ 2.97Å; E732-K921 PolarHBondContact OE2-NZ 2.92Å
922	E	37	Very low	34.3	Very low	61 Å²	61	112.3 Å²	112.3	29%	0.285	60%	0.595	S	S	.	*			cis	-159	-179.4	-32.4	-83.7	-163.8	142.2	0	0	105.3	E730 C731	E730-E922 HydrophobicContact CG-CG 4.1Å; E730-E922 VanDerWaalsContact CG-OE1 3.29Å; E730-E922 WeakPolarHBondContact CG-OE1 3.35Å; E730-E922 WeakPolarHBondContact OE1-CG 3.4Å; E730-E922 WeakPolarHBondContact OE2-CA 3.25Å; E730-E922 VanDerWaalsContact OE2-CB 3.25Å; E730-E922 WeakPolarHBondContact OE2-CB 3.34Å; E730-E922 WeakPolarHBondContact OE2-CG 3.44Å; C731-E922 VanDerWaalsContact CB-OE1 3.32Å; C731-E922 WeakPolarHBondContact CB-OE1 3.32Å; C731-E922 PolarHBondContact N-OE1 2.78Å
923	E	36.3	Very low	34.2	Very low	153 Å²	153	114.6 Å²	114.6	72%	0.715	60%	0.603	S	S	*	*			trans	73	153.6	162.1	-44.1	-173.5	143.8	0	0	116.8	E730	E730-E923 PolarHBondContact OE2-N 2.65Å
924	D	34.9	Very low	33.8	Very low	130 Å²	130	119.8 Å²	119.8	70%	0.695	62%	0.616	S	S	*	*			cis	-151.8	174.6	4.6	-156.8	3.2	0	0	0	113.7
925	S	29.7	Very low	33.5	Very low	95 Å²	95	121.6 Å²	121.6	66%	0.664	63%	0.625	S	S	*	*			trans	99	90.9	156.3	69.9	0	0	0	0	119.9
926	A	29.4	Very low	33	Very low	80 Å²	80	126 Å²	126	66%	0.661	64%	0.64	S	S	*	*			trans	-45.6	156.4	160.7	0	0	0	0	0	114.9
927	S	39.4	Very low	33	Very low	60 Å²	60	126.4 Å²	126.4	42%	0.42	64%	0.642	S	S	.	*			cis	78.2	128.6	31.9	96.5	0	0	0	0	116.8	D726 S727	D726-S927 WeakPolarHBondContact O-CB 3.3Å; S727-S927 WeakPolarHBondContact OG-CB 3.35Å
928	L	33.1	Very low	32.6	Very low	130 Å²	130	129.5 Å²	129.5	68%	0.681	65%	0.653	S	S	*	*			trans	-171.5	97	167.9	-98.9	140.9	0	0	0	105.8
929	L	31.6	Very low	32.7	Very low	98 Å²	98	129.2 Å²	129.2	51%	0.513	66%	0.657	S	S	.	*				80.8	145.5	80.4	-75.7	166.7	0	0	0	112.7
930	Q	33.8	Very low	33.1	Very low	88 Å²	88	128 Å²	128	41%	0.411	65%	0.652	S	S	.	*				-169.7	117.5	52.3	-157.4	165.4	135.1	0	0	119	E723	E723-Q930 PolarHBondContact O-N 3.19Å
931	R	32.5	Very low	32.4	Very low	198 Å²	198	130.7 Å²	130.7	75%	0.747	66%	0.657	S	S	*	*			trans	71.7	167.7	140.4	-73.6	-177.4	172.5	135.3	-2.4	120.3
932	A	32.8	Very low	32.1	Very low	68 Å²	68	128.5 Å²	128.5	56%	0.562	67%	0.67	S	S	*	*			cis	-177.6	160	-31.6	0	0	0	0	0	114.2
933	L	29.6	Very low	31.5	Very low	146 Å²	146	134 Å²	134	76%	0.764	70%	0.695	S	S	*	*			trans	63.4	163.5	140.6	-78.3	169.8	0	0	0	118.1
934	R	28.8	Very low	30.9	Very low	191 Å²	191	133.2 Å²	133.2	72%	0.721	69%	0.693	S	S	*	*			cis	-135.5	145.6	2.6	-107	173.5	-152.9	-77.7	-0	107.1
935	E	29.7	Very low	30.4	Very low	130 Å²	130	136.1 Å²	136.1	61%	0.607	70%	0.696	S	S	*	*				82.8	138	64.6	-149	-166	-171.4	0	0	115.2
936	Y	27.1	Very low	30.3	Very low	198 Å²	198	135.9 Å²	135.9	78%	0.776	69%	0.687	S	S	*	*			trans	83	148.5	169	-93.9	-83.7	0	0	0	123.4
937	N	31.2	Very low	30.1	Very low	142 Å²	142	141.4 Å²	141.4	76%	0.759	69%	0.69	S	S	*	*			trans	-73.2	153.1	178	-59.4	-71.7	0	0	0	112.9
938	E	28.2	Very low	29.6	Very low	185 Å²	185	144.1 Å²	144.1	86%	0.864	70%	0.704	S	S	*	*				-164.1	159	119.6	-115.6	178.1	-147.9	0	0	112.7
939	N	35.6	Very low	29.4	Very low	155 Å²	155	146 Å²	146	83%	0.829	71%	0.707	S	S	*	*			trans	-144.1	104.7	172.4	175.3	2.9	0	0	0	110.7
940	P	39.2	Very low	29.2	Very low	102 Å²	102	146.4 Å²	146.4	66%	0.662	72%	0.718	S	S	*	*			trans	-123.4	140.9	162.1	33.5	-19.8	0	0	0	114.1
941	K	27.5	Very low	29.1	Very low	210 Å²	210	146.7 Å²	146.7	91%	0.913	73%	0.73	S	S	*	*			trans	-49.2	139.2	172.2	-55.7	155.5	-177.5	172.8	0	112.8
942	G	26.2	Very low	29.1	Very low	79 Å²	79	142.4 Å²	142.4	81%	0.814	73%	0.73	S	S	*	*			trans	-143.5	132.8	167	0	0	0	0	0	111.6
943	H	25.2	Very low	29.1	Very low	175 Å²	175	143.6 Å²	143.6	81%	0.81	73%	0.734	S	S	*	*			trans	-114.8	146.7	-174.6	-110.8	-81.7	0	0	0	111.7
944	M	23.8	Very low	29.3	Very low	137 Å²	137	145.1 Å²	145.1	68%	0.675	74%	0.737	S	S	*	*			trans	67.9	138.2	145.3	-72.4	-176	62.9	0	0	121.8
945	Y	23.6	Very low	29.5	Very low	192 Å²	192	142.8 Å²	142.8	75%	0.753	74%	0.738	S	S	*	*				47.2	149.8	128.7	-71.5	-112.4	0	0	0	120.3
946	D	28.1	Very low	29.5	Very low	89 Å²	89	143.7 Å²	143.7	48%	0.476	75%	0.746	S	S	.	*			cis	-162.7	165.7	6.3	-148.9	-18.9	0	0	0	110.6
947	R	26.1	Very low	29.5	Very low	196 Å²	196	137.8 Å²	137.8	74%	0.74	75%	0.745	S	S	*	*			trans	64.3	164.4	150.9	-78.7	152.6	-160.5	175.5	10.5	116.9
948	V	27.9	Very low	29.4	Very low	117 Å²	117	134.4 Å²	134.4	71%	0.709	74%	0.744	S	S	*	*			cis	-138.3	132	31.1	170.8	0	0	0	0	113.3
949	K	28.3	Very low	29.4	Very low	171 Å²	171	134 Å²	134	74%	0.743	75%	0.748	S	S	*	*			trans	20.5	146.7	137.4	-39.9	170.1	-168.4	172.5	0	118.4
950	S	29.1	Very low	28.9	Very low	105 Å²	105	133.9 Å²	133.9	73%	0.734	75%	0.747	S	S	*	*				-176.8	166.7	52.6	-43	0	0	0	0	108.9
951	S	30.6	Very low	29.3	Very low	95 Å²	95	133.7 Å²	133.7	66%	0.664	75%	0.746	S	S	*	*			cis	-175.5	151	-8.9	37.9	0	0	0	0	111.7
952	S	32.8	Very low	29.4	Very low	107 Å²	107	129.6 Å²	129.6	75%	0.748	74%	0.739	S	S	*	*			trans	64.9	152.9	144.8	66	0	0	0	0	119.7
953	S	32.6	Very low	29.5	Very low	93 Å²	93	130.2 Å²	130.2	65%	0.65	73%	0.73	S	S	*	*			cis	-149.8	142.2	14.7	-39.6	0	0	0	0	114
954	E	33.7	Very low	29.6	Very low	178 Å²	178	130.8 Å²	130.8	83%	0.832	73%	0.73	S	S	*	*				44.8	150.3	118.9	-50.9	-175.2	136.1	0	0	121
955	I	33.6	Very low	29.7	Very low	142 Å²	142	130.1 Å²	130.1	73%	0.728	73%	0.73	S	S	*	*			cis	-168.9	172.7	17.7	-135.4	-178.1	0	0	0	109.1
956	L	30.3	Very low	29.9	Very low	150 Å²	150	127.2 Å²	127.2	79%	0.785	73%	0.726	S	S	*	*			cis	-162.3	134.1	-7.3	-155.7	-179.3	0	0	0	110
957	G	26.5	Very low	29.7	Very low	73 Å²	73	130.8 Å²	130.8	75%	0.753	74%	0.737	S	S	*	*			trans	88.7	149.7	147.7	0	0	0	0	0	120.1
958	G	29.1	Very low	29.8	Very low	71 Å²	71	130.8 Å²	130.8	73%	0.732	74%	0.743	S	S	*	*			cis	170.4	167.4	-9.9	0	0	0	0	0	116.6
959	N	27.7	Very low	29.6	Very low	177 Å²	177	129.7 Å²	129.7	95%	0.947	75%	0.745	S	S	*	*			trans	98.3	136.1	161.6	-61.1	-10.9	0	0	0	122.2
960	D	26.1	Very low	29.5	Very low	152 Å²	152	131.2 Å²	131.2	81%	0.813	75%	0.752	S	S	*	*			trans	-72.6	-174.9	178.2	-106.3	-54.5	0	0	0	114.7
961	P	47.3	Very low	29.3	Very low	99 Å²	99	134 Å²	134	64%	0.643	75%	0.751	S	S	*	*			cis	-148.1	161.2	22.2	41.5	-20.2	0	0	0	121.2
962	T	28.8	Very low	29	Very low	124 Å²	124	136.2 Å²	136.2	76%	0.761	75%	0.754	S	S	*	*			trans	62.9	157.8	142	54.5	0	0	0	0	122.4
963	S	27.8	Very low	28.7	Very low	92 Å²	92	135.7 Å²	135.7	64%	0.643	75%	0.75	S	S	*	*			cis	-174.5	158.7	-24.2	64.6	0	0	0	0	114.2
964	K	27.8	Very low	28.1	Very low	186 Å²	186	139.6 Å²	139.6	81%	0.809	76%	0.756	S	S	*	*			trans	76.2	108.7	144.7	-78.3	172.4	178.4	175.9	0	124.5
965	D	26.1	Very low	27.7	Very low	123 Å²	123	138 Å²	138	66%	0.658	75%	0.747	S	S	*	*				81.2	155.6	104	-153.4	3.2	0	0	0	122.5
966	I	27.3	Very low	27.2	Very low	132 Å²	132	134.2 Å²	134.2	68%	0.677	73%	0.728	S	S	*	*			trans	97.8	77.8	159.4	-46.4	-178	0	0	0	120.8
967	K	25	Very low	27.3	Very low	164 Å²	164	136.9 Å²	136.9	71%	0.713	73%	0.727	S	S	*	*				52.6	142.1	112.1	-59.6	162.7	-174.8	164.2	0	123.9
968	K	26.5	Very low	27.2	Very low	196 Å²	196	138.5 Å²	138.5	85%	0.852	72%	0.717	S	S	*	*			trans	98.9	121.5	157.9	-58.9	170.5	-174.2	169.8	0	114.6
969	A	24.8	Very low	27.1	Very low	93 Å²	93	139.2 Å²	139.2	77%	0.769	71%	0.71	S	S	*	*			cis	99	146.1	15.8	0	0	0	0	0	116.8
970	K	26.6	Very low	27.3	Very low	203 Å²	203	137.6 Å²	137.6	88%	0.883	70%	0.701	S	S	*	*			trans	78.1	150.6	-179.8	-70.6	-175.6	179.5	-179.1	0	116
971	K	24.1	Very low	27.3	Very low	165 Å²	165	137 Å²	137	72%	0.717	70%	0.703	S	S	*	*			cis	177.4	145	-27.6	-132.5	-169.6	163.8	-163.6	0	107.2
972	I	24.7	Very low	26.4	Very low	141 Å²	141	136 Å²	136	72%	0.723	71%	0.711	S	S	*	*			trans	68.6	151.3	154.7	-64.4	171.8	0	0	0	114.1
973	S	25.1	Very low	26.3	Very low	96 Å²	96	139.4 Å²	139.4	67%	0.671	72%	0.718	S	S	*	*			cis	-145	140.2	1.7	29.1	0	0	0	0	112.7
974	F	21.3	Very low	26.5	Very low	175 Å²	175	144.2 Å²	144.2	77%	0.768	73%	0.728	S	S	*	*				15.6	133.2	128.3	-83.9	-93.6	0	0	0	121.9
975	F	24.7	Very low	26.3	Very low	145 Å²	145	142.9 Å²	142.9	64%	0.636	73%	0.729	S	S	*	*			trans	49	136.5	133.6	-80	-151.8	0	0	0	119.4
976	N	23.8	Very low	26.2	Very low	62 Å²	62	144.3 Å²	144.3	33%	0.332	73%	0.733	S	S	.	*			cis	-171.4	-163.2	-10	-116.7	-56.9	0	0	0	103.8	K560 Q561	K560-N976 CarbonylContact C-O 3.42Å; K560-N976 HydrophobicContact CB-CB 3.61Å; K560-N976 HydrophobicContact CD-CB 3.56Å; K560-N976 HydrophobicContact CG-CB 4Å; Q561-N976 CarbonylContact C-O 3.55Å; Q561-N976 PolarHBondContact N-O 2.92Å; Q561-N976 CarbonylContact O-C 3.55Å
977	R	31.1	Very low	26.2	Very low	205 Å²	205	145 Å²	145	77%	0.774	73%	0.733	S	S	*	*			cis	92.8	69	16	-144.3	178.5	-178.5	-175	0.1	120.6	K560 Q561	K560-R977 WeakPolarHBondContact CE-O 3.29Å; Q561-R977 PolarHBondContact O-N 2.68Å
978	M	25.1	Very low	26.2	Very low	108 Å²	108	143 Å²	143	53%	0.532	73%	0.73	S	S	.	*			trans	-159.3	157.9	166.2	-112	-157	177.3	0	0	110.5	K560	K560-M978 HydrophobicContact CB-CB 4.07Å; K560-M978 HydrophobicContact CG-CB 4.42Å; K560-M978 HydrophobicContact CG-CG 4.48Å; K560-M978 WeakPolarHBondContact O-CB 3.47Å; K560-M978 PolarHBondContact O-N 2.72Å
979	S	27.4	Very low	26.3	Very low	86 Å²	86	138.8 Å²	138.8	60%	0.601	72%	0.721	S	S	*	*			cis	-165.4	171	-15.6	-151	0	0	0	0	111.7
980	L	31	Very low	26.3	Very low	143 Å²	143	141 Å²	141	75%	0.749	72%	0.72	S	S	*	*			trans	67.2	120.8	151.6	-73.9	160.1	0	0	0	122.9
981	T	27.1	Very low	26.3	Very low	138 Å²	138	138.7 Å²	138.7	85%	0.847	72%	0.718	S	S	*	*			trans	63.3	140.5	136.7	55.5	0	0	0	0	123.3
982	G	27.9	Very low	27	Very low	80 Å²	80	135.8 Å²	135.8	83%	0.825	72%	0.716	S	S	*	*			trans	173.4	112.9	154.6	0	0	0	0	0	114.3
983	Q	25.9	Very low	27.2	Very low	194 Å²	194	137 Å²	137	91%	0.907	72%	0.723	S	S	*	*			trans	-104.9	138.6	164.3	-83.1	-169.2	-15.8	0	0	110.6
984	K	33	Very low	27.9	Very low	193 Å²	193	137.3 Å²	137.3	84%	0.839	72%	0.722	S	S	*	*			trans	33	117.6	154.7	-68.1	-178.1	173.8	178.8	0	119.5
985	L	23.3	Very low	28.1	Very low	159 Å²	159	137.2 Å²	137.2	83%	0.832	72%	0.724	S	S	*	*				-161.6	138.4	111.1	-117.6	68.3	0	0	0	107.3
986	M	24.2	Very low	28.4	Very low	153 Å²	153	137 Å²	137	75%	0.754	73%	0.729	S	S	*	*				48.9	133.4	93.3	-54.9	-66.7	-177.2	0	0	113.9
987	Q	28.2	Very low	28.6	Very low	145 Å²	145	143 Å²	143	68%	0.678	75%	0.752	S	S	*	*			cis	-167.5	166.7	11	-133	176.5	0.9	0	0	111.7
988	N	25	Very low	29.7	Very low	122 Å²	122	138.3 Å²	138.3	65%	0.652	75%	0.748	S	S	*	*			trans	65.7	154.4	153.9	-59	-14.2	0	0	0	118.9
989	T	27.1	Very low	29.9	Very low	108 Å²	108	141.4 Å²	141.4	66%	0.663	77%	0.765	S	S	*	*			cis	-161.6	158.5	-30.7	32.7	0	0	0	0	107
990	N	24.8	Very low	29.8	Very low	139 Å²	139	140.2 Å²	140.2	74%	0.743	77%	0.766	S	S	*	*				155	109.6	129.7	-74.5	-5.5	0	0	0	111
991	D	26.5	Very low	29.9	Very low	156 Å²	156	141.1 Å²	141.1	83%	0.834	77%	0.771	S	S	*	*			trans	11	153.5	131.3	-58.8	-8.9	0	0	0	120.1
992	P	40.7	Very low	30	Very low	103 Å²	103	143 Å²	143	67%	0.669	77%	0.77	S	S	*	*			cis	-145.7	147	26.1	36.5	-14.8	0	0	0	120.2
993	L	28.9	Very low	30.1	Very low	166 Å²	166	146.5 Å²	146.5	87%	0.869	77%	0.769	S	S	*	*			trans	62.5	-173.6	139.2	-61.8	172	0	0	0	118.6
994	P	39.5	Very low	30.1	Very low	103 Å²	103	141.2 Å²	141.2	67%	0.669	76%	0.758	S	S	*	*				-121.6	141	-60.9	33.4	-19.6	0	0	0	112.6
995	E	24.9	Very low	29.8	Very low	173 Å²	173	140 Å²	140	81%	0.808	76%	0.76	S	S	*	*				90.6	158.5	82.4	-155.7	-171.6	-144.3	0	0	114.9
996	I	31.4	Very low	30.1	Very low	141 Å²	141	140.9 Å²	140.9	72%	0.723	76%	0.76	S	S	*	*			trans	77.2	139.7	166.5	-49.6	177.9	0	0	0	116.2
997	K	26.7	Very low	30.5	Very low	189 Å²	189	138.8 Å²	138.8	82%	0.822	76%	0.76	S	S	*	*			cis	-165.8	165.3	-36.5	-110.1	174.5	-177.4	173.6	0	108.6
998	P	53.9	Low	30.7	Very low	106 Å²	106	137.4 Å²	137.4	69%	0.688	76%	0.758	S	S	*	*			trans	-97.3	-177.2	179	39.4	-35.6	0	0	0	114.4
999	I	29.5	Very low	31.1	Very low	173 Å²	173	139.3 Å²	139.3	89%	0.887	76%	0.76	S	S	*	*			trans	77.2	144.3	177.7	-51.2	160.9	0	0	0	112.4
1000	G	26.6	Very low	31.4	Very low	61 Å²	61	141.7 Å²	141.7	63%	0.629	76%	0.761	S	S	*	*			cis	149	134	-5.7	0	0	0	0	0	112.4
1001	D	33.3	Very low	31.8	Very low	161 Å²	161	141.1 Å²	141.1	86%	0.861	76%	0.758	S	S	*	*			trans	59.8	152.6	171.5	-62.5	-13.6	0	0	0	122.5
1002	Q	29.1	Very low	32.3	Very low	177 Å²	177	137.4 Å²	137.4	83%	0.827	75%	0.749	S	S	*	*			trans	90.7	154.5	155.5	-47.2	-162.6	5.4	0	0	121.8
1003	I	29.1	Very low	32	Very low	154 Å²	154	139 Å²	139	79%	0.79	75%	0.752	S	S	*	*			trans	69.1	112	167.6	-41.7	-176.7	0	0	0	115.1
1004	A	25.8	Very low	32.6	Very low	83 Å²	83	138.3 Å²	138.3	69%	0.686	75%	0.745	S	S	*	*			cis	102.1	116.5	23.2	0	0	0	0	0	116
1005	L	27.4	Very low	32.5	Very low	168 Å²	168	138.8 Å²	138.8	88%	0.88	74%	0.741	S	S	*	*			trans	57.1	115	152.1	-65	170.2	0	0	0	120.7
1006	Q	30.3	Very low	33.2	Very low	178 Å²	178	136.8 Å²	136.8	83%	0.832	73%	0.732	S	S	*	*				-179.1	128.9	103.4	-100.9	-173.9	-4.7	0	0	115.4
1007	S	31.7	Very low	33.4	Very low	108 Å²	108	136.6 Å²	136.6	76%	0.755	73%	0.729	S	S	*	*			trans	65.8	152	148.8	76	0	0	0	0	119
1008	D	32.9	Very low	33.7	Very low	116 Å²	116	130.7 Å²	130.7	62%	0.62	72%	0.723	S	S	*	*			cis	-158.6	146.3	11	-153.3	2.2	0	0	0	113.9
1009	K	32.9	Very low	32.9	Very low	163 Å²	163	132.7 Å²	132.7	71%	0.709	72%	0.723	S	S	*	*			trans	63.9	150.8	167.8	-58.8	179.4	-176.9	74.3	0	117
1010	K	33	Very low	33.1	Very low	157 Å²	157	129.7 Å²	129.7	68%	0.683	71%	0.708	S	S	*	*			cis	-159.9	151.2	4.5	-133.5	174	159.5	-77.2	0	111.3
1011	D	34	Very low	33.4	Very low	127 Å²	127	133.1 Å²	133.1	68%	0.679	71%	0.711	S	S	*	*			trans	53.3	140.6	155.6	-51.7	-27	0	0	0	121.1
1012	A	36.9	Very low	33.4	Very low	78 Å²	78	132.2 Å²	132.2	65%	0.645	70%	0.702	S	S	*	*			cis	-166.5	148	-16	0	0	0	0	0	112.5
1013	N	34.3	Very low	33.4	Very low	138 Å²	138	129.5 Å²	129.5	74%	0.738	69%	0.693	S	S	*	*			trans	64.6	152	152.9	-71.5	-20	0	0	0	120.3
1014	Q	41.2	Very low	33.4	Very low	151 Å²	151	127.1 Å²	127.1	71%	0.706	69%	0.691	S	S	*	*			cis	175.1	160.5	-26.2	-115.1	-164	89.1	0	0	106.4
1015	N	36.9	Very low	33.6	Very low	112 Å²	112	129.9 Å²	129.9	60%	0.599	70%	0.699	S	S	*	*			cis	-170.4	-177.2	-12.2	-140.9	-7.2	0	0	0	106.7
1016	H	39.8	Very low	33.7	Very low	132 Å²	132	128.4 Å²	128.4	61%	0.611	70%	0.697	S	S	*	*			cis	-162.2	146.3	-1.9	-157.1	36.3	0	0	0	110.1
1017	M	35.7	Very low	34.4	Very low	136 Å²	136	125 Å²	125	67%	0.67	69%	0.69	S	S	*	*			trans	61.1	146.5	156.7	-62.6	-88.3	-157.7	0	0	121	Q1019	M1017-Q1019 HydrophobicContact SD-CG 4.38Å
1018	G	32.9	Very low	34.2	Very low	66 Å²	66	127 Å²	127	68%	0.68	69%	0.693	S	S	*	*			cis	144.8	170.3	-12.8	0	0	0	0	0	115.7
1019	Q	38	Very low	34.1	Very low	148 Å²	148	130.8 Å²	130.8	69%	0.692	71%	0.709	S	S	*	*			trans	78.8	146	162.4	-57	-168.3	31.4	0	0	117.3	M1017	M1017-Q1019 HydrophobicContact SD-CG 4.38Å
1020	N	33.6	Very low	33.9	Very low	109 Å²	109	130.5 Å²	130.5	58%	0.583	71%	0.71	S	S	*	*			cis	-170.7	156.5	-7.9	-115.6	-16.1	0	0	0	114.2
1021	L	33	Very low	33.8	Very low	133 Å²	133	126.6 Å²	126.6	70%	0.696	72%	0.715	S	S	*	*			trans	62.4	155.8	143.6	-59.8	170.3	0	0	0	119.6
1022	Q	32.3	Very low	33.7	Very low	142 Å²	142	128.3 Å²	128.3	66%	0.664	72%	0.716	S	S	*	*			cis	-160.6	169.7	-20.6	-130.8	-174.9	-60.1	0	0	111.8
1023	D	29.6	Very low	33.4	Very low	120 Å²	120	130.2 Å²	130.2	64%	0.642	73%	0.725	S	S	*	*			trans	64.7	110.3	144.7	-68	-5.4	0	0	0	125.1
1024	S	29.9	Very low	33.3	Very low	105 Å²	105	133.4 Å²	133.4	73%	0.734	73%	0.732	S	S	*	*				105	140.6	113.1	76.8	0	0	0	0	123.4
1025	T	28.7	Very low	32.7	Very low	141 Å²	141	131.1 Å²	131.1	87%	0.865	73%	0.733	S	S	*	*			trans	69.7	127.6	161.4	51.5	0	0	0	0	121.9
1026	T	30.7	Very low	32.1	Very low	136 Å²	136	131.7 Å²	131.7	83%	0.834	74%	0.744	S	S	*	*			trans	-93.2	171.5	167.7	41.8	0	0	0	0	110.3
1027	P	44.2	Very low	31.5	Very low	106 Å²	106	130.4 Å²	130.4	69%	0.688	75%	0.746	S	S	*	*			cis	-146	-170.4	28.5	44.8	-24.3	0	0	0	118.3
1028	N	28.1	Very low	31.2	Very low	152 Å²	152	131.4 Å²	131.4	81%	0.813	75%	0.752	S	S	*	*			trans	68.1	96.5	162.2	-68	-5.7	0	0	0	119.2
1029	M	30.1	Very low	31.2	Very low	194 Å²	194	137 Å²	137	96%	0.956	77%	0.765	S	S	*	*				-161.9	113.9	121.4	-103.8	-61.3	176.1	0	0	109.4	G1031	M1029-G1031 PolarHBondContact O-N 3.36Å
1030	E	29.9	Very low	30.9	Very low	157 Å²	157	136.5 Å²	136.5	73%	0.734	77%	0.769	S	S	*	*			trans	-88.2	97.6	-176.8	-166.5	-178.2	-116.4	0	0	110.6	K1032	E1030-K1032 PolarHBondContact O-N 3.18Å; E1030-K1032 WeakPolarHBondContact OE2-CE 3.18Å
1031	G	30.9	Very low	30.7	Very low	76 Å²	76	137.9 Å²	137.9	78%	0.784	78%	0.779	S	S	*	*			trans	-70.2	88	-177.6	0	0	0	0	0	113.4	M1029 S1033	M1029-G1031 PolarHBondContact O-N 3.36Å; G1031-S1033 PolarHBondContact O-N 2.68Å
1032	K	30.6	Very low	30.6	Very low	163 Å²	163	138.2 Å²	138.2	71%	0.709	78%	0.784	S	S	*	*			trans	-70.4	96.4	176	-68.9	-176.6	179.2	178.7	0	111.9	E1030 K1034	E1030-K1032 PolarHBondContact O-N 3.18Å; E1030-K1032 WeakPolarHBondContact OE2-CE 3.18Å; K1032-K1034 PolarHBondContact O-N 2.67Å
1033	S	30.4	Very low	30.5	Very low	118 Å²	118	137.9 Å²	137.9	83%	0.825	79%	0.791	S	S	*	*			trans	-60.2	113.1	163.5	49	0	0	0	0	109.5	G1031 S1035	G1031-S1033 PolarHBondContact O-N 2.68Å; S1033-S1035 PolarHBondContact O-N 3.07Å
1034	K	32.6	Very low	30.6	Very low	204 Å²	204	139.1 Å²	139.1	89%	0.887	80%	0.8	S	S	*	*			trans	-77.1	110.6	-178	-70.2	-179.4	179.9	175.8	0	110	K1032	K1032-K1034 PolarHBondContact O-N 2.67Å
1035	S	28	Very low	30.6	Very low	103 Å²	103	141.3 Å²	141.3	72%	0.72	80%	0.804	S	S	*	*			trans	-59.2	133.1	165.2	49.9	0	0	0	0	110.3	S1033 T1037	S1033-S1035 PolarHBondContact O-N 3.07Å; S1035-T1037 PolarHBondContact O-N 3.01Å
1036	C	25.5	Very low	30.8	Very low	124 Å²	124	141.4 Å²	141.4	84%	0.838	80%	0.8	S	S	*	*			trans	-77.3	104.9	171.3	-171	0	0	0	0	109
1037	T	25.9	Very low	30.8	Very low	105 Å²	105	141.8 Å²	141.8	64%	0.644	80%	0.797	S	S	*	*			trans	-84.7	122.6	171.1	-58.9	0	0	0	0	109.2	S1035 L1039	S1035-T1037 PolarHBondContact O-N 3.01Å; T1037-L1039 HydrophobicContact CG2-CD2 4.44Å; T1037-L1039 HydrophobicContact CG2-CG 4.49Å
1038	I	30.4	Very low	29.6	Very low	157 Å²	157	144.8 Å²	144.8	81%	0.805	81%	0.806	S	S	*	*			trans	-81.1	139.1	165.7	-59.2	174.6	0	0	0	107.7
1039	L	33.4	Very low	29.8	Very low	184 Å²	184	144.1 Å²	144.1	96%	0.963	81%	0.806	S	S	*	*			trans	-125.8	0	171.5	-69.2	173.7	0	0	0	108.2	T1037	T1037-L1039 HydrophobicContact CG2-CD2 4.44Å; T1037-L1039 HydrophobicContact CG2-CG 4.49Å

Retrieved 1,039 of 1,039 residues in 241.5 ms (Link to these results)

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