A0A087Y8S8_POEFO Loading...

Alpha-mannosidase

Catalyzes the first committed step in the biosynthesis of complex N-glycans. It controls conversion of high mannose to complex N-glycans; the final hydrolytic step in the N-glycan maturation pathway.

AlphaFold DB , UniProt , Accession A0A087Y8S8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,152 aa.

						>A0A087Y8S8_POEFO|A0A087Y8S8
MKLRKQVTVCGGAIFCVAVFSLYLMLDRVQHDPARRQNGGNFPRSQISVLQNRIEQLEQLLEENHQIISHIKDSVMELTDTGAVSPSGHLPFRSANGSWVLPFDGRPSFLAVKPQDCQFAVGTRAQTDVQMLDVYSLLKFDNPDGGVWKQGFDITYEPDEWDNEPLQVFVVPHSHNDPGWVKTFDKYFTDQTQHILNNMVVKLAEDSRRKFIWSEISFFAKWWETADVYKQEAMRKLILGGQLEIVTGGWVMTDEANAHYFAMIDQLIEGHQWLERNLGITPQSGWAVDPFGHSATMPYLLKRANVTSMLIQRIHYSIKKHFSSTRSLEFMWRQAWDTGSSTDIFCHMMPFYSYDVPHTCGPDPKICCQFDFKRLPGGRINCPWKVPPKSVVEANVAERAQLLLDQYRKKSKLYRSKVLLVPLGDDFRYDKALEWDQQYINYQKLFDYMNSHPELHVQAQFGTLTDYFSALYKAYGVPQGSRPGDFPVLSGDFFAYADREDHYWTGYYTSRPFYKSLDRVIESHLRGAEILYSLAVANARHAGMEGRYPVTDYALLVDARRSVGLFQHHDAITGTAKENVVIDYGTKLLRALIGLKRVIINAAHFLVMKNKEFYRFYQTEPFLETDDRRATQDSLPQRTLIELDPAGPRYLVLFNPIEQERLCAVTVLVNTVRVRVLTEDGQTLPVQLSAQWSSATQMSAEVFEATFMVRLPPLGLAVFHLYDSADSPMTIRSDTLLRLSGRSGSARALDPLPVRSQPADAQTFYISTQTLTLGFSGTTGLLESIKRKDDPQEVKVQMQFMIYGTRPSKDKSGAYLFLPDGKPKPYNQKEPPAVRVVEGPLFSEVVAQYQHFQQTVRIHNVPGVDGLSVDVTILVDIRDQTNKELSMRLVTNIQNGDVFYTDLNGYQIQPRRFYQKLPLQGNFYPMSSQAYIQDSHHRLTLHTAQALGVSSLDSGQLEVIMDRRLMQDDNRGLGQGLKDNKKTANRFRLLLERRSIDNKMMDSATTSFPSMVSHATSSLLNHEVLALPVLPKRRGIPPLQTFAPLKSVIPCDVHLLNLRSIQTQKDPESPSPYTALLLHRLATDCGFEGQNLGFNCSTTQGRLSVSNLFKNVDLQLLQPMSLTLMHSSMPLANDSIISLEPMEISAFKLKLR
					

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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	51.6	Low	50.8	Low	246 Å²	246	142.4 Å²	142.4	100%	1.212	73%	0.726	S	S	*	*				0	46.8	0	-139.5	170.1	112.3	0	0	113.3
2	K	44.8	Very low	52	Low	194 Å²	194	133.4 Å²	133.4	84%	0.843	70%	0.695	S	S	*	*			trans	-134.8	2.7	176.9	-95.6	-173.5	178.2	179.9	0	115.9
3	L	43.5	Very low	53	Low	141 Å²	141	127.5 Å²	127.5	74%	0.738	68%	0.677	S	S	*	*	S	Bend	trans	-95.4	-17.3	180	-127.4	83.4	0	0	0	114.9	K5	L3-K5 PolarHBondContact O-N 3.15Å
4	R	42.4	Very low	54	Low	229 Å²	229	127.1 Å²	127.1	86%	0.864	67%	0.674	S	S	*	*	H	α-helix	trans	-76.6	-18.1	-177.9	-98.6	-175.5	174.6	-179.7	-1.8	114.6	T8	R4-T8 PolarHBondContact O-OG1 3.38Å
5	K	45.9	Very low	55	Low	180 Å²	180	128 Å²	128	78%	0.783	67%	0.67	S	S	*	*	H	α-helix	trans	-86.6	-20	179.1	-84.3	-174.8	172.8	-176.2	0	114.2	L3 V9	L3-K5 PolarHBondContact O-N 3.15Å; K5-V9 WeakPolarHBondContact O-CG2 3.36Å
6	Q	46.9	Very low	55.8	Low	135 Å²	135	125.3 Å²	125.3	63%	0.631	66%	0.664	S	S	*	*	H	α-helix	trans	-80	-33.5	177.8	-84.4	177.1	-32.6	0	0	112.8	V9 C10	Q6-V9 PolarHBondContact O-N 3.4Å; Q6-C10 WeakPolarHBondContact O-CB 3.5Å; Q6-C10 PolarHBondContact O-N 3.05Å; Q6-C10 PolarHBondContact O-SG 3.38Å
7	V	53.1	Low	56.8	Low	111 Å²	111	123.4 Å²	123.4	67%	0.673	66%	0.658	S	S	*	*	H	α-helix	trans	-69	-35.4	179	-179.6	0	0	0	0	111.8	G11	V7-G11 PolarHBondContact O-N 3.49Å
8	T	54.6	Low	57.4	Low	105 Å²	105	119.4 Å²	119.4	64%	0.644	65%	0.645	S	S	*	*	H	α-helix	trans	-71.8	-34.4	178	-35.8	0	0	0	0	112.3	R4 G12	R4-T8 PolarHBondContact O-OG1 3.38Å; T8-G12 PolarHBondContact O-N 3.47Å
9	V	58.1	Low	58.1	Low	104 Å²	104	117.5 Å²	117.5	63%	0.63	64%	0.638	S	S	*	*	H	α-helix	trans	-75	-39.8	177.1	176.7	0	0	0	0	111.1	K5 Q6 G12 A13	K5-V9 WeakPolarHBondContact O-CG2 3.36Å; Q6-V9 PolarHBondContact O-N 3.4Å; V9-G12 PolarHBondContact O-N 3.03Å; V9-A13 PolarHBondContact O-N 3.01Å
10	C	54.4	Low	58.5	Low	80 Å²	80	118.4 Å²	118.4	54%	0.541	64%	0.636	S	S	.	*	H	α-helix	trans	-67.8	-39.1	173.8	-72	0	0	0	0	112.5	Q6 A13 I14	Q6-C10 WeakPolarHBondContact O-CB 3.5Å; Q6-C10 PolarHBondContact O-N 3.05Å; Q6-C10 PolarHBondContact O-SG 3.38Å; C10-A13 PolarHBondContact O-N 3.43Å; C10-I14 WeakPolarHBondContact O-CG1 3.3Å; C10-I14 PolarHBondContact O-N 2.91Å; C10-I14 VanDerWaalsContact O-N 3.13Å
11	G	63.8	Low	58.7	Low	41 Å²	41	115.7 Å²	115.7	42%	0.423	63%	0.626	S	S	.	*	H	α-helix	trans	-64.5	-40.1	174.8	0	0	0	0	0	112.9	V7 I14 F15	V7-G11 PolarHBondContact O-N 3.49Å; G11-I14 PolarHBondContact O-N 2.89Å; G11-F15 PolarHBondContact O-N 3.48Å; G11-F15 VanDerWaalsContact O-N 3.11Å
12	G	65.5	Low	59.1	Low	35 Å²	35	109.6 Å²	109.6	36%	0.361	60%	0.597	S	S	.	*	H	α-helix	trans	-64.5	-40.3	174.5	0	0	0	0	0	113.1	T8 V9 F15 C16	T8-G12 PolarHBondContact O-N 3.47Å; V9-G12 PolarHBondContact O-N 3.03Å; G12-F15 PolarHBondContact O-N 3.48Å; G12-C16 PolarHBondContact O-N 3.43Å; G12-C16 PolarHBondContact O-SG 2.98Å; G12-C16 VanDerWaalsContact O-SG 3.38Å
13	A	63.8	Low	59.9	Low	56 Å²	56	107.6 Å²	107.6	46%	0.463	59%	0.586	S	S	.	*	H	α-helix	trans	-65.4	-40.8	177.4	0	0	0	0	0	112.5	V9 C10 C16 V17	V9-A13 PolarHBondContact O-N 3.01Å; C10-A13 PolarHBondContact O-N 3.43Å; A13-C16 PolarHBondContact O-N 3.39Å; A13-V17 VanDerWaalsContact O-CG2 3.3Å; A13-V17 WeakPolarHBondContact O-CG2 3.32Å; A13-V17 PolarHBondContact O-N 3.32Å
14	I	67.1	Low	60.6	Low	122 Å²	122	105.1 Å²	105.1	63%	0.626	57%	0.573	S	S	*	*	H	α-helix	trans	-65.6	-40.5	177.1	-66.8	166.6	0	0	0	110.8	C10 G11 V17 A18	C10-I14 WeakPolarHBondContact O-CG1 3.3Å; C10-I14 PolarHBondContact O-N 2.91Å; C10-I14 VanDerWaalsContact O-N 3.13Å; G11-I14 PolarHBondContact O-N 2.89Å; I14-V17 PolarHBondContact O-N 3.11Å; I14-A18 WeakPolarHBondContact O-CB 3.33Å; I14-A18 PolarHBondContact O-N 3.47Å
15	F	70	Confident	61.2	Low	141 Å²	141	101.3 Å²	101.3	62%	0.618	57%	0.566	S	S	*	*	H	α-helix	trans	-64.5	-43.3	176.4	-170.9	-98.6	0	0	0	111.9	G11 G12 V17 A18 V19	G11-F15 PolarHBondContact O-N 3.48Å; G11-F15 VanDerWaalsContact O-N 3.11Å; G12-F15 PolarHBondContact O-N 3.48Å; F15-V17 PolarHBondContact O-N 3.13Å; F15-A18 PolarHBondContact O-N 3.36Å; F15-V19 HydrophobicContact CD1-CG2 4.17Å; F15-V19 HydrophobicContact CE1-CG2 3.85Å; F15-V19 HydrophobicContact CZ-CG2 4.07Å; F15-V19 WeakPolarHBondContact O-CG2 3.3Å; F15-V19 PolarHBondContact O-N 2.97Å
16	C	67.5	Low	61.5	Low	84 Å²	84	98.1 Å²	98.1	57%	0.568	56%	0.558	S	S	*	*	H	α-helix	trans	-63.2	-40.6	175.2	-71.8	0	0	0	0	112.3	G12 A13 V19 F20	G12-C16 PolarHBondContact O-N 3.43Å; G12-C16 PolarHBondContact O-SG 2.98Å; G12-C16 VanDerWaalsContact O-SG 3.38Å; A13-C16 PolarHBondContact O-N 3.39Å; C16-V19 PolarHBondContact O-N 2.98Å; C16-F20 VanDerWaalsContact O-CB 3.3Å; C16-F20 WeakPolarHBondContact O-CB 3.49Å; C16-F20 PolarHBondContact O-N 2.87Å
17	V	72.6	Confident	61.5	Low	93 Å²	93	96.1 Å²	96.1	56%	0.564	55%	0.551	S	S	*	*	H	α-helix	trans	-65.5	-39.7	176.5	171.6	0	0	0	0	111.4	A13 I14 F15 S21	A13-V17 VanDerWaalsContact O-CG2 3.3Å; A13-V17 WeakPolarHBondContact O-CG2 3.32Å; A13-V17 PolarHBondContact O-N 3.32Å; I14-V17 PolarHBondContact O-N 3.11Å; F15-V17 PolarHBondContact O-N 3.13Å; V17-S21 VanDerWaalsContact O-CB 3.23Å; V17-S21 WeakPolarHBondContact O-CB 3.29Å; V17-S21 PolarHBondContact O-N 3.25Å; V17-S21 PolarHBondContact O-OG 3.17Å
18	A	66.8	Low	61	Low	53 Å²	53	101.4 Å²	101.4	44%	0.438	56%	0.559	S	S	.	*	H	α-helix	trans	-64.4	-44.8	176.4	0	0	0	0	0	111.8	I14 F15 S21 L22	I14-A18 WeakPolarHBondContact O-CB 3.33Å; I14-A18 PolarHBondContact O-N 3.47Å; F15-A18 PolarHBondContact O-N 3.36Å; A18-S21 PolarHBondContact O-N 3.39Å; A18-L22 PolarHBondContact O-N 3.34Å
19	V	71.9	Confident	60.7	Low	82 Å²	82	102.3 Å²	102.3	50%	0.497	56%	0.564	S	S	.	*	H	α-helix	trans	-67.1	-41.1	178.3	173.8	0	0	0	0	111.4	F15 C16 L22 Y23	F15-V19 HydrophobicContact CD1-CG2 4.17Å; F15-V19 HydrophobicContact CE1-CG2 3.85Å; F15-V19 HydrophobicContact CZ-CG2 4.07Å; F15-V19 WeakPolarHBondContact O-CG2 3.3Å; F15-V19 PolarHBondContact O-N 2.97Å; C16-V19 PolarHBondContact O-N 2.98Å; V19-L22 PolarHBondContact O-N 2.85Å; V19-Y23 WeakPolarHBondContact O-CB 3.37Å; V19-Y23 PolarHBondContact O-N 2.91Å
20	F	65.3	Low	59.9	Low	136 Å²	136	104.8 Å²	104.8	60%	0.596	57%	0.569	S	S	*	*	H	α-helix	trans	-69.9	-33.1	177.7	-143.5	-90.4	0	0	0	112.2	C16 Y23 L24	C16-F20 VanDerWaalsContact O-CB 3.3Å; C16-F20 WeakPolarHBondContact O-CB 3.49Å; C16-F20 PolarHBondContact O-N 2.87Å; F20-Y23 PolarHBondContact O-N 2.88Å; F20-L24 HydrophobicContact CD1-CD1 3.84Å; F20-L24 HydrophobicContact CD1-CG 4.17Å; F20-L24 HydrophobicContact CE1-CD1 4.19Å; F20-L24 HydrophobicContact CE1-CG 4.37Å; F20-L24 WeakPolarHBondContact O-CB 3.42Å; F20-L24 WeakPolarHBondContact O-CG 3.48Å; F20-L24 PolarHBondContact O-N 3.12Å
21	S	62.4	Low	59.1	Low	62 Å²	62	109.4 Å²	109.4	43%	0.434	58%	0.582	S	S	.	*	H	α-helix	trans	-69.5	-37.3	174	-58.4	0	0	0	0	111.9	V17 A18 M25	V17-S21 VanDerWaalsContact O-CB 3.23Å; V17-S21 WeakPolarHBondContact O-CB 3.29Å; V17-S21 PolarHBondContact O-N 3.25Å; V17-S21 PolarHBondContact O-OG 3.17Å; A18-S21 PolarHBondContact O-N 3.39Å; S21-M25 PolarHBondContact O-N 3.45Å
22	L	61	Low	57.6	Low	117 Å²	117	115.2 Å²	115.2	61%	0.613	60%	0.604	S	S	*	*	H	α-helix	trans	-67.2	-39.3	173.3	-135.5	101.1	0	0	0	111.2	A18 V19 M25 L26	A18-L22 PolarHBondContact O-N 3.34Å; V19-L22 PolarHBondContact O-N 2.85Å; L22-M25 PolarHBondContact O-N 3.41Å; L22-L26 HydrophobicContact CD2-CD1 4.47Å; L22-L26 WeakPolarHBondContact O-CB 3.36Å; L22-L26 PolarHBondContact O-N 2.92Å
23	Y	62.1	Low	56.4	Low	153 Å²	153	118.9 Å²	118.9	60%	0.6	62%	0.621	S	S	*	*	H	α-helix	trans	-64.7	-43.9	175.8	-168.8	-97.3	0	0	0	111.7	V19 F20 M25 L26 D27	V19-Y23 WeakPolarHBondContact O-CB 3.37Å; V19-Y23 PolarHBondContact O-N 2.91Å; F20-Y23 PolarHBondContact O-N 2.88Å; Y23-M25 PolarHBondContact O-N 3.24Å; Y23-L26 PolarHBondContact O-N 3.48Å; Y23-D27 WeakPolarHBondContact O-CB 3.45Å; Y23-D27 PolarHBondContact O-N 2.79Å
24	L	58.3	Low	54.8	Low	89 Å²	89	120.8 Å²	120.8	47%	0.466	64%	0.637	S	S	.	*	H	α-helix	trans	-68	-30.5	175.1	-74.6	169.1	0	0	0	113.3	F20 R28	F20-L24 HydrophobicContact CD1-CD1 3.84Å; F20-L24 HydrophobicContact CD1-CG 4.17Å; F20-L24 HydrophobicContact CE1-CD1 4.19Å; F20-L24 HydrophobicContact CE1-CG 4.37Å; F20-L24 WeakPolarHBondContact O-CB 3.42Å; F20-L24 WeakPolarHBondContact O-CG 3.48Å; F20-L24 PolarHBondContact O-N 3.12Å; L24-R28 WeakPolarHBondContact O-CB 3.48Å; L24-R28 PolarHBondContact O-N 2.96Å; L24-R28 VanDerWaalsContact O-N 3.14Å
25	M	53.6	Low	53	Low	148 Å²	148	124.9 Å²	124.9	73%	0.729	64%	0.644	S	S	*	*	H	α-helix	trans	-68.5	-40.9	170.6	-92.6	-162.3	-179	0	0	111.7	S21 L22 Y23 R28 V29	S21-M25 PolarHBondContact O-N 3.45Å; L22-M25 PolarHBondContact O-N 3.41Å; Y23-M25 PolarHBondContact O-N 3.24Å; M25-R28 PolarHBondContact O-N 3.39Å; M25-V29 WeakPolarHBondContact O-CG2 3.49Å
26	L	52.8	Low	51.1	Low	114 Å²	114	128.1 Å²	128.1	60%	0.597	65%	0.653	S	S	*	*	H	α-helix	trans	-68.6	-34.8	176.5	-80.7	159.9	0	0	0	112.3	L22 Y23 R28 V29	L22-L26 HydrophobicContact CD2-CD1 4.47Å; L22-L26 WeakPolarHBondContact O-CB 3.36Å; L22-L26 PolarHBondContact O-N 2.92Å; Y23-L26 PolarHBondContact O-N 3.48Å; L26-R28 VanDerWaalsContact C-N 3.34Å; L26-V29 PolarHBondContact O-N 2.89Å
27	D	47.1	Very low	49.3	Very low	92 Å²	92	131.7 Å²	131.7	49%	0.492	66%	0.661	S	S	.	*	H	α-helix	trans	-71.4	-28	176.4	-156.9	38.8	0	0	0	112.3	Y23 V29	Y23-D27 WeakPolarHBondContact O-CB 3.45Å; Y23-D27 PolarHBondContact O-N 2.79Å; D27-V29 VanDerWaalsContact C-N 3.35Å; D27-V29 PolarHBondContact O-N 3.35Å
28	R	42.7	Very low	47.3	Very low	222 Å²	222	134.7 Å²	134.7	84%	0.838	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-77.7	-11.2	174.2	-85.8	-172.6	176.5	178.4	0.1	115.2	L24 M25 L26 Q30	L24-R28 WeakPolarHBondContact O-CB 3.48Å; L24-R28 PolarHBondContact O-N 2.96Å; L24-R28 VanDerWaalsContact O-N 3.14Å; M25-R28 PolarHBondContact O-N 3.39Å; L26-R28 VanDerWaalsContact C-N 3.34Å; R28-Q30 VanDerWaalsContact C-N 3.25Å
29	V	47.3	Very low	45.6	Very low	125 Å²	125	136.1 Å²	136.1	76%	0.758	69%	0.694	S	S	*	*	G	3₁₀ helix	trans	-82.2	-4.6	175.6	176.2	0	0	0	0	111.8	M25 L26 D27	M25-V29 WeakPolarHBondContact O-CG2 3.49Å; L26-V29 PolarHBondContact O-N 2.89Å; D27-V29 VanDerWaalsContact C-N 3.35Å; D27-V29 PolarHBondContact O-N 3.35Å
30	Q	41.2	Very low	43.6	Very low	156 Å²	156	136 Å²	136	73%	0.729	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-101.8	10.9	-175.1	-84.5	-169.5	-10.4	0	0	117.3	R28	R28-Q30 VanDerWaalsContact C-N 3.25Å
31	H	38.8	Very low	42.2	Very low	176 Å²	176	137 Å²	137	82%	0.815	72%	0.72	S	S	*	*			trans	-136.4	96.5	172.6	-82.2	68.6	0	0	0	112.3
32	D	32.1	Very low	40.9	Very low	164 Å²	164	142.7 Å²	142.7	88%	0.877	74%	0.738	S	S	*	*				-157.5	133.5	128.9	-133.7	-7.8	0	0	0	111
33	P	40.2	Very low	40	Very low	112 Å²	112	141 Å²	141	73%	0.727	73%	0.734	S	S	*	*			trans	-103.8	168.5	-165.7	38.3	-29.6	0	0	0	114.8
34	A	29.1	Very low	39.4	Very low	96 Å²	96	145.2 Å²	145.2	79%	0.793	75%	0.748	S	S	*	*			trans	90.3	127.4	169.4	0	0	0	0	0	114.9
35	R	30.7	Very low	38.9	Very low	208 Å²	208	144 Å²	144	79%	0.785	75%	0.747	S	S	*	*			cis	-170.7	129.3	28.6	-141.3	171.6	-176.4	-176	1	110.2
36	R	29.7	Very low	38.8	Very low	209 Å²	209	142.4 Å²	142.4	79%	0.789	74%	0.738	S	S	*	*			trans	53.2	129.2	143.2	-68.3	178.5	-179.2	-177	-2.3	118
37	Q	30.7	Very low	39	Very low	159 Å²	159	142.7 Å²	142.7	74%	0.743	74%	0.739	S	S	*	*			cis	-173.5	148.3	49.4	-132.1	171.6	7.2	0	0	111.2
38	N	29.3	Very low	39.3	Very low	155 Å²	155	141.1 Å²	141.1	83%	0.829	74%	0.735	S	S	*	*			trans	60	127.1	158.4	-58.7	-11.9	0	0	0	117.7
39	G	30.7	Very low	40.2	Very low	84 Å²	84	134.3 Å²	134.3	87%	0.866	72%	0.718	S	S	*	*			cis	137.8	117.1	19.4	0	0	0	0	0	106.6
40	G	30.5	Very low	40.6	Very low	78 Å²	78	133.7 Å²	133.7	80%	0.804	71%	0.71	S	S	*	*			trans	133.1	110.6	168	0	0	0	0	0	116.2
41	N	36.8	Very low	41.6	Very low	157 Å²	157	131.9 Å²	131.9	84%	0.84	70%	0.701	S	S	*	*			trans	28.4	113.5	154.4	-72.6	-9.7	0	0	0	119.7	P43	N41-P43 WeakPolarHBondContact O-CD 3.39Å
42	F	35	Very low	42.9	Very low	183 Å²	183	128.3 Å²	128.3	80%	0.803	69%	0.688	S	S	*	*			trans	-56.9	115.7	156.6	-95	-93.1	0	0	0	110.8	Q46	F42-Q46 VanDerWaalsContact CE1-OE1 3.31Å
43	P	42.2	Very low	44.6	Very low	81 Å²	81	128.4 Å²	128.4	53%	0.526	68%	0.676	S	S	.	*			trans	-87.3	149.5	166.2	3.5	17.8	0	0	0	108.9	N41 S45	N41-P43 WeakPolarHBondContact O-CD 3.39Å; P43-S45 PolarHBondContact O-N 2.81Å
44	R	47.8	Very low	46	Very low	242 Å²	242	127.3 Å²	127.3	91%	0.913	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51	3.6	170	-96.1	174.8	164.5	169.9	-5.5	115.6
45	S	49.7	Very low	48	Very low	62 Å²	62	128 Å²	128	43%	0.434	65%	0.65	S	S	.	*	H	α-helix	trans	-82.4	-13.6	-177.3	58.2	0	0	0	0	115.1	P43 S48 V49	P43-S45 PolarHBondContact O-N 2.81Å; S45-S48 PolarHBondContact O-OG 3.15Å; S45-S48 VanDerWaalsContact O-OG 3.11Å; S45-V49 VanDerWaalsContact O-CG2 3.22Å; S45-V49 WeakPolarHBondContact O-CG2 3.23Å; S45-V49 PolarHBondContact O-N 3.39Å
46	Q	50.2	Low	50.1	Low	115 Å²	115	123.9 Å²	123.9	54%	0.537	64%	0.64	S	S	.	*	H	α-helix	trans	-83.8	-26.7	178.1	-73.8	-169.1	-11.4	0	0	113.7	F42 L50	F42-Q46 VanDerWaalsContact CE1-OE1 3.31Å; Q46-L50 PolarHBondContact O-N 3.17Å
47	I	56.4	Low	51.9	Low	121 Å²	121	119 Å²	119	62%	0.621	63%	0.629	S	S	*	*	H	α-helix	trans	-72.6	-39.4	175.1	-64.6	174.1	0	0	0	110.2	V49 L50 Q51	I47-V49 VanDerWaalsContact C-N 3.3Å; I47-V49 PolarHBondContact O-N 2.67Å; I47-L50 PolarHBondContact O-N 2.94Å; I47-Q51 WeakPolarHBondContact O-CB 3.48Å; I47-Q51 PolarHBondContact O-N 3.11Å
48	S	55.3	Low	53.8	Low	58 Å²	58	117.2 Å²	117.2	41%	0.406	62%	0.621	S	S	.	*	H	α-helix	trans	-66.9	-30.2	176.3	64.8	0	0	0	0	112.9	S45 N52	S45-S48 PolarHBondContact O-OG 3.15Å; S45-S48 VanDerWaalsContact O-OG 3.11Å; S48-N52 WeakPolarHBondContact O-CB 3.45Å; S48-N52 PolarHBondContact O-N 3.47Å
49	V	61.5	Low	56	Low	80 Å²	80	115.5 Å²	115.5	49%	0.485	61%	0.607	S	S	.	*	H	α-helix	trans	-73.2	-34.9	175.2	171.8	0	0	0	0	111.5	S45 I47 R53	S45-V49 VanDerWaalsContact O-CG2 3.22Å; S45-V49 WeakPolarHBondContact O-CG2 3.23Å; S45-V49 PolarHBondContact O-N 3.39Å; I47-V49 VanDerWaalsContact C-N 3.3Å; I47-V49 PolarHBondContact O-N 2.67Å; V49-R53 WeakPolarHBondContact O-CB 3.39Å; V49-R53 PolarHBondContact O-N 2.73Å
50	L	54.9	Low	58.1	Low	111 Å²	111	115.7 Å²	115.7	58%	0.581	59%	0.588	S	S	*	*	H	α-helix	trans	-70.5	-40.5	172.2	-100.7	145.6	0	0	0	111.9	Q46 I47 R53 I54	Q46-L50 PolarHBondContact O-N 3.17Å; I47-L50 PolarHBondContact O-N 2.94Å; L50-R53 PolarHBondContact O-N 3.49Å; L50-I54 VanDerWaalsContact O-CG1 3.29Å; L50-I54 WeakPolarHBondContact O-CG1 3.21Å; L50-I54 PolarHBondContact O-N 2.92Å
51	Q	62.2	Low	59.9	Low	119 Å²	119	117 Å²	117	56%	0.556	58%	0.576	S	S	*	*	H	α-helix	trans	-63.6	-46.4	174.4	-119.1	167.1	-32	0	0	111.7	I47 R53 I54 E55	I47-Q51 WeakPolarHBondContact O-CB 3.48Å; I47-Q51 PolarHBondContact O-N 3.11Å; Q51-R53 VanDerWaalsContact C-N 3.28Å; Q51-R53 PolarHBondContact O-N 3.49Å; Q51-I54 PolarHBondContact O-N 3.19Å; Q51-I54 VanDerWaalsContact O-N 3.17Å; Q51-E55 PolarHBondContact O-N 3.05Å
52	N	66.3	Low	61.6	Low	100 Å²	100	115.4 Å²	115.4	54%	0.535	56%	0.564	S	S	.	*	H	α-helix	trans	-61.4	-35.1	174.1	-94.4	-20.3	0	0	0	112.7	S48 Q56	S48-N52 WeakPolarHBondContact O-CB 3.45Å; S48-N52 PolarHBondContact O-N 3.47Å; N52-Q56 WeakPolarHBondContact O-CB 3.41Å; N52-Q56 PolarHBondContact O-N 2.92Å
53	R	66.7	Low	63.4	Low	166 Å²	166	111 Å²	111	63%	0.626	55%	0.546	S	S	*	.	H	α-helix	trans	-72.1	-33.9	175.8	-88	179.8	172.1	-175.4	-2.3	112.8	V49 L50 Q51 L57	V49-R53 WeakPolarHBondContact O-CB 3.39Å; V49-R53 PolarHBondContact O-N 2.73Å; L50-R53 PolarHBondContact O-N 3.49Å; Q51-R53 VanDerWaalsContact C-N 3.28Å; Q51-R53 PolarHBondContact O-N 3.49Å; R53-L57 WeakPolarHBondContact O-CB 3.34Å; R53-L57 WeakPolarHBondContact O-CD1 3.49Å; R53-L57 WeakPolarHBondContact O-CG 3.33Å; R53-L57 PolarHBondContact O-N 3.37Å
54	I	70.6	Confident	64.6	Low	89 Å²	89	111.3 Å²	111.3	46%	0.456	54%	0.543	S	S	.	.	H	α-helix	trans	-70.4	-44.7	174.4	-69.6	166.7	0	0	0	109.6	L50 Q51 Q56 L57 E58	L50-I54 VanDerWaalsContact O-CG1 3.29Å; L50-I54 WeakPolarHBondContact O-CG1 3.21Å; L50-I54 PolarHBondContact O-N 2.92Å; Q51-I54 PolarHBondContact O-N 3.19Å; Q51-I54 VanDerWaalsContact O-N 3.17Å; I54-Q56 VanDerWaalsContact C-N 3.34Å; I54-Q56 PolarHBondContact O-N 3.28Å; I54-L57 CarbonylContact O-C 3.59Å; I54-L57 PolarHBondContact O-N 2.88Å; I54-L57 VanDerWaalsContact O-N 3.12Å; I54-E58 WeakPolarHBondContact O-CB 3.34Å; I54-E58 WeakPolarHBondContact O-CG 3.18Å; I54-E58 PolarHBondContact O-N 3.14Å
55	E	70.4	Confident	65.6	Low	111 Å²	111	105.4 Å²	105.4	52%	0.519	53%	0.525	S	S	.	.	H	α-helix	trans	-62.2	-39.4	173.7	-79.1	177.8	169.3	0	0	111.7	Q51 L57 E58 Q59	Q51-E55 PolarHBondContact O-N 3.05Å; E55-L57 VanDerWaalsContact C-N 3.35Å; E55-L57 PolarHBondContact O-N 2.95Å; E55-E58 PolarHBondContact O-N 3.36Å; E55-Q59 VanDerWaalsContact O-CB 3.24Å; E55-Q59 WeakPolarHBondContact O-CB 3.14Å; E55-Q59 PolarHBondContact O-N 2.94Å
56	Q	74.4	Confident	66.6	Low	122 Å²	122	107.6 Å²	107.6	57%	0.57	53%	0.529	S	S	*	.	H	α-helix	trans	-63.9	-38.5	172.1	-109	-177.8	-18	0	0	112.7	N52 I54 L60	N52-Q56 WeakPolarHBondContact O-CB 3.41Å; N52-Q56 PolarHBondContact O-N 2.92Å; I54-Q56 VanDerWaalsContact C-N 3.34Å; I54-Q56 PolarHBondContact O-N 3.28Å; Q56-L60 VanDerWaalsContact O-CB 3.3Å; Q56-L60 WeakPolarHBondContact O-CB 3.22Å; Q56-L60 VanDerWaalsContact O-CG 3.27Å; Q56-L60 WeakPolarHBondContact O-CG 3.41Å; Q56-L60 PolarHBondContact O-N 3.4Å
57	L	67.5	Low	67.6	Low	106 Å²	106	106.3 Å²	106.3	56%	0.555	52%	0.524	S	S	*	.	H	α-helix	trans	-70.8	-39.1	177.8	-88.6	161.1	0	0	0	111.6	R53 I54 E55 L60 L61	R53-L57 WeakPolarHBondContact O-CB 3.34Å; R53-L57 WeakPolarHBondContact O-CD1 3.49Å; R53-L57 WeakPolarHBondContact O-CG 3.33Å; R53-L57 PolarHBondContact O-N 3.37Å; I54-L57 CarbonylContact O-C 3.59Å; I54-L57 PolarHBondContact O-N 2.88Å; I54-L57 VanDerWaalsContact O-N 3.12Å; E55-L57 VanDerWaalsContact C-N 3.35Å; E55-L57 PolarHBondContact O-N 2.95Å; L57-L60 PolarHBondContact O-N 2.83Å; L57-L61 VanDerWaalsContact O-CB 3.3Å; L57-L61 WeakPolarHBondContact O-CB 3.41Å; L57-L61 PolarHBondContact O-N 2.87Å
58	E	70.5	Confident	68	Low	122 Å²	122	105.2 Å²	105.2	57%	0.57	52%	0.519	S	S	*	.	H	α-helix	trans	-64.6	-42.7	172.6	-76.3	-178.4	163	0	0	110.6	I54 E55 L61 E62	I54-E58 WeakPolarHBondContact O-CB 3.34Å; I54-E58 WeakPolarHBondContact O-CG 3.18Å; I54-E58 PolarHBondContact O-N 3.14Å; E55-E58 PolarHBondContact O-N 3.36Å; E58-L61 CarbonylContact O-C 3.6Å; E58-L61 WeakPolarHBondContact O-CB 3.49Å; E58-L61 PolarHBondContact O-N 2.96Å; E58-L61 VanDerWaalsContact O-N 3.17Å; E58-E62 WeakPolarHBondContact O-CB 3.47Å; E58-E62 PolarHBondContact O-N 3.49Å
59	Q	75.9	Confident	68.3	Low	118 Å²	118	104.7 Å²	104.7	55%	0.551	52%	0.515	S	S	*	.	H	α-helix	trans	-65	-40.2	175.7	-166.8	173	7.4	0	0	112.1	E55 L61 E62 E63	E55-Q59 VanDerWaalsContact O-CB 3.24Å; E55-Q59 WeakPolarHBondContact O-CB 3.14Å; E55-Q59 PolarHBondContact O-N 2.94Å; Q59-L61 VanDerWaalsContact C-N 3.32Å; Q59-L61 PolarHBondContact O-N 2.87Å; Q59-E62 PolarHBondContact O-N 3.04Å; Q59-E63 WeakPolarHBondContact O-CB 3.32Å; Q59-E63 WeakPolarHBondContact O-CG 3.3Å; Q59-E63 PolarHBondContact O-N 2.92Å
60	L	74.3	Confident	68.5	Low	89 Å²	89	106.8 Å²	106.8	47%	0.466	52%	0.52	S	S	.	.	H	α-helix	trans	-69.3	-27.7	173.4	-78.3	166.2	0	0	0	112.9	Q56 L57 N64	Q56-L60 VanDerWaalsContact O-CB 3.3Å; Q56-L60 WeakPolarHBondContact O-CB 3.22Å; Q56-L60 VanDerWaalsContact O-CG 3.27Å; Q56-L60 WeakPolarHBondContact O-CG 3.41Å; Q56-L60 PolarHBondContact O-N 3.4Å; L57-L60 PolarHBondContact O-N 2.83Å; L60-N64 VanDerWaalsContact O-CB 3.26Å; L60-N64 WeakPolarHBondContact O-CB 3.5Å; L60-N64 PolarHBondContact O-N 3.43Å; L60-N64 PolarHBondContact O-ND2 3.49Å
61	L	69.3	Low	68.8	Low	104 Å²	104	106.1 Å²	106.1	55%	0.545	52%	0.516	S	S	.	.	H	α-helix	trans	-75.6	-37.6	173.7	-110.2	145.7	0	0	0	111.6	L57 E58 Q59 N64 H65	L57-L61 VanDerWaalsContact O-CB 3.3Å; L57-L61 WeakPolarHBondContact O-CB 3.41Å; L57-L61 PolarHBondContact O-N 2.87Å; E58-L61 CarbonylContact O-C 3.6Å; E58-L61 WeakPolarHBondContact O-CB 3.49Å; E58-L61 PolarHBondContact O-N 2.96Å; E58-L61 VanDerWaalsContact O-N 3.17Å; Q59-L61 VanDerWaalsContact C-N 3.32Å; Q59-L61 PolarHBondContact O-N 2.87Å; L61-N64 PolarHBondContact O-N 3.45Å; L61-H65 WeakPolarHBondContact O-CB 3.39Å; L61-H65 PolarHBondContact O-N 3.49Å
62	E	72.8	Confident	68.7	Low	124 Å²	124	106.5 Å²	106.5	58%	0.579	52%	0.515	S	S	*	.	H	α-helix	trans	-69.5	-43.3	174.1	-159.3	74.2	-156.7	0	0	110.3	E58 Q59 H65 Q66	E58-E62 WeakPolarHBondContact O-CB 3.47Å; E58-E62 PolarHBondContact O-N 3.49Å; Q59-E62 PolarHBondContact O-N 3.04Å; E62-H65 CarbonylContact O-C 3.59Å; E62-H65 WeakPolarHBondContact O-CB 3.09Å; E62-H65 PolarHBondContact O-N 3.13Å; E62-H65 VanDerWaalsContact O-N 3.13Å; E62-Q66 WeakPolarHBondContact O-CB 3.22Å; E62-Q66 WeakPolarHBondContact O-CG 3.47Å; E62-Q66 PolarHBondContact O-N 3.44Å
63	E	73.3	Confident	68.4	Low	91 Å²	91	105.2 Å²	105.2	43%	0.425	51%	0.509	S	S	.	.	H	α-helix	trans	-62.7	-41.9	171.7	-80.4	-179.7	178.1	0	0	111.1	Q59 H65 Q66 I67	Q59-E63 WeakPolarHBondContact O-CB 3.32Å; Q59-E63 WeakPolarHBondContact O-CG 3.3Å; Q59-E63 PolarHBondContact O-N 2.92Å; E63-H65 VanDerWaalsContact C-N 3.33Å; E63-H65 PolarHBondContact O-N 2.77Å; E63-Q66 CarbonylContact O-C 3.53Å; E63-Q66 PolarHBondContact O-N 3.48Å; E63-I67 WeakPolarHBondContact O-CB 3.27Å; E63-I67 WeakPolarHBondContact O-CD1 3.24Å; E63-I67 WeakPolarHBondContact O-CG1 3.3Å; E63-I67 PolarHBondContact O-N 2.76Å
64	N	66.9	Low	67.8	Low	87 Å²	87	100 Å²	100	47%	0.465	50%	0.498	S	S	.	.	H	α-helix	trans	-65.4	-36.1	171.7	-89	-49.5	0	0	0	112.1	L60 L61 I67 I68	L60-N64 VanDerWaalsContact O-CB 3.26Å; L60-N64 WeakPolarHBondContact O-CB 3.5Å; L60-N64 PolarHBondContact O-N 3.43Å; L60-N64 PolarHBondContact O-ND2 3.49Å; L61-N64 PolarHBondContact O-N 3.45Å; N64-I67 PolarHBondContact O-N 2.8Å; N64-I68 VanDerWaalsContact O-CB 3.22Å; N64-I68 WeakPolarHBondContact O-CB 3.26Å; N64-I68 WeakPolarHBondContact O-CD1 3.33Å; N64-I68 WeakPolarHBondContact O-CG1 3.38Å; N64-I68 PolarHBondContact O-N 2.79Å
65	H	67.9	Low	66.8	Low	119 Å²	119	99.5 Å²	99.5	55%	0.551	50%	0.499	S	S	*	.	H	α-helix	trans	-66.8	-37.9	174.3	-107.3	81	0	0	0	111.8	L61 E62 E63 I68 S69	L61-H65 WeakPolarHBondContact O-CB 3.39Å; L61-H65 PolarHBondContact O-N 3.49Å; E62-H65 CarbonylContact O-C 3.59Å; E62-H65 WeakPolarHBondContact O-CB 3.09Å; E62-H65 PolarHBondContact O-N 3.13Å; E62-H65 VanDerWaalsContact O-N 3.13Å; E63-H65 VanDerWaalsContact C-N 3.33Å; E63-H65 PolarHBondContact O-N 2.77Å; H65-I68 CarbonylContact O-C 3.59Å; H65-I68 PolarHBondContact O-N 3.46Å; H65-S69 WeakPolarHBondContact O-CB 3.13Å; H65-S69 PolarHBondContact O-N 2.72Å
66	Q	71.1	Confident	65.5	Low	108 Å²	108	98.4 Å²	98.4	51%	0.505	49%	0.494	S	S	.	.	H	α-helix	trans	-72	-36.4	174.2	-76	-177.9	-5.6	0	0	111.9	E62 E63 S69 H70	E62-Q66 WeakPolarHBondContact O-CB 3.22Å; E62-Q66 WeakPolarHBondContact O-CG 3.47Å; E62-Q66 PolarHBondContact O-N 3.44Å; E63-Q66 CarbonylContact O-C 3.53Å; E63-Q66 PolarHBondContact O-N 3.48Å; Q66-S69 CarbonylContact O-C 3.56Å; Q66-S69 PolarHBondContact O-N 3.4Å; Q66-H70 VanDerWaalsContact O-CB 3.26Å; Q66-H70 WeakPolarHBondContact O-CB 3.44Å; Q66-H70 PolarHBondContact O-CD2 3.32Å; Q66-H70 VanDerWaalsContact O-CD2 3.22Å; Q66-H70 PolarHBondContact O-N 2.73Å
67	I	71.2	Confident	64	Low	87 Å²	87	99 Å²	99	45%	0.446	50%	0.497	S	S	.	.	H	α-helix	trans	-67.5	-40.4	172	-70.2	163.7	0	0	0	109.5	E63 N64 H70 I71	E63-I67 WeakPolarHBondContact O-CB 3.27Å; E63-I67 WeakPolarHBondContact O-CD1 3.24Å; E63-I67 WeakPolarHBondContact O-CG1 3.3Å; E63-I67 PolarHBondContact O-N 2.76Å; N64-I67 PolarHBondContact O-N 2.8Å; I67-H70 PolarHBondContact O-N 3.36Å; I67-I71 HydrophobicContact CG2-CD1 3.72Å; I67-I71 HydrophobicContact CG2-CG1 4.31Å; I67-I71 VanDerWaalsContact O-CB 3.28Å; I67-I71 WeakPolarHBondContact O-CB 3.16Å; I67-I71 WeakPolarHBondContact O-CD1 3.49Å; I67-I71 WeakPolarHBondContact O-CG1 3.33Å; I67-I71 PolarHBondContact O-N 2.73Å
68	I	66	Low	62.8	Low	98 Å²	98	99.9 Å²	99.9	50%	0.503	50%	0.502	S	S	.	.	H	α-helix	trans	-68.3	-36.3	174.4	-70.9	165.4	0	0	0	110.6	N64 H65 K72	N64-I68 VanDerWaalsContact O-CB 3.22Å; N64-I68 WeakPolarHBondContact O-CB 3.26Å; N64-I68 WeakPolarHBondContact O-CD1 3.33Å; N64-I68 WeakPolarHBondContact O-CG1 3.38Å; N64-I68 PolarHBondContact O-N 2.79Å; H65-I68 CarbonylContact O-C 3.59Å; H65-I68 PolarHBondContact O-N 3.46Å; I68-K72 WeakPolarHBondContact O-CB 3.06Å; I68-K72 PolarHBondContact O-N 2.71Å
69	S	60.8	Low	61.4	Low	48 Å²	48	97.9 Å²	97.9	34%	0.336	50%	0.498	S	S	.	.	H	α-helix	trans	-68.5	-43.2	173	116.9	0	0	0	0	110.4	H65 Q66 I71 K72 D73	H65-S69 WeakPolarHBondContact O-CB 3.13Å; H65-S69 PolarHBondContact O-N 2.72Å; Q66-S69 CarbonylContact O-C 3.56Å; Q66-S69 PolarHBondContact O-N 3.4Å; S69-I71 PolarHBondContact O-N 2.76Å; S69-K72 CarbonylContact O-C 3.45Å; S69-K72 WeakPolarHBondContact O-CA 3.48Å; S69-K72 WeakPolarHBondContact O-CB 3.14Å; S69-K72 PolarHBondContact O-N 3.5Å; S69-K72 VanDerWaalsContact O-N 3.14Å; S69-D73 WeakPolarHBondContact O-CA 3.45Å; S69-D73 WeakPolarHBondContact O-CB 3.33Å; S69-D73 PolarHBondContact O-N 3.37Å; S69-D73 VanDerWaalsContact O-OD2 3.12Å; S69-D73 PolarHBondContact OG-OD2 3.22Å
70	H	65.8	Low	59.4	Low	123 Å²	123	98.6 Å²	98.6	57%	0.569	51%	0.506	S	S	*	.	H	α-helix	trans	-65.9	-37.3	174.7	-89.4	-69	0	0	0	112	Q66 I67 D73 S74	Q66-H70 VanDerWaalsContact O-CB 3.26Å; Q66-H70 WeakPolarHBondContact O-CB 3.44Å; Q66-H70 PolarHBondContact O-CD2 3.32Å; Q66-H70 VanDerWaalsContact O-CD2 3.22Å; Q66-H70 PolarHBondContact O-N 2.73Å; I67-H70 PolarHBondContact O-N 3.36Å; H70-D73 PolarHBondContact O-N 3.46Å; H70-S74 WeakPolarHBondContact O-CA 3.49Å; H70-S74 WeakPolarHBondContact O-CB 3.28Å; H70-S74 PolarHBondContact O-N 2.7Å; H70-S74 PolarHBondContact O-OG 2.71Å
71	I	61.6	Low	57.6	Low	97 Å²	97	100.3 Å²	100.3	50%	0.497	52%	0.52	S	S	.	.	H	α-helix	trans	-66.2	-42.5	171.1	-72.1	165.7	0	0	0	109.1	I67 S69 D73 V75	I67-I71 HydrophobicContact CG2-CD1 3.72Å; I67-I71 HydrophobicContact CG2-CG1 4.31Å; I67-I71 VanDerWaalsContact O-CB 3.28Å; I67-I71 WeakPolarHBondContact O-CB 3.16Å; I67-I71 WeakPolarHBondContact O-CD1 3.49Å; I67-I71 WeakPolarHBondContact O-CG1 3.33Å; I67-I71 PolarHBondContact O-N 2.73Å; S69-I71 PolarHBondContact O-N 2.76Å; I71-D73 VanDerWaalsContact C-N 3.35Å; I71-V75 HydrophobicContact CG2-CG2 4.2Å; I71-V75 WeakPolarHBondContact O-CA 3.26Å; I71-V75 WeakPolarHBondContact O-CB 3.1Å; I71-V75 WeakPolarHBondContact O-CG2 3.42Å; I71-V75 PolarHBondContact O-N 3.14Å
72	K	59.2	Low	56	Low	127 Å²	127	96.7 Å²	96.7	55%	0.552	51%	0.508	S	S	*	.	H	α-helix	trans	-65.2	-39	176.7	-179	-172.6	171.3	-165.6	0	111.4	I68 S69 V75 M76	I68-K72 WeakPolarHBondContact O-CB 3.06Å; I68-K72 PolarHBondContact O-N 2.71Å; S69-K72 CarbonylContact O-C 3.45Å; S69-K72 WeakPolarHBondContact O-CA 3.48Å; S69-K72 WeakPolarHBondContact O-CB 3.14Å; S69-K72 PolarHBondContact O-N 3.5Å; S69-K72 VanDerWaalsContact O-N 3.14Å; K72-V75 CarbonylContact O-C 3.59Å; K72-V75 PolarHBondContact O-N 2.71Å; K72-M76 HydrophobicContact CG-SD 4.43Å; K72-M76 WeakPolarHBondContact O-CA 3.48Å; K72-M76 WeakPolarHBondContact O-CB 3.26Å; K72-M76 WeakPolarHBondContact O-CG 3.47Å; K72-M76 PolarHBondContact O-N 2.7Å
73	D	60	Low	53.9	Low	74 Å²	74	95.3 Å²	95.3	40%	0.396	52%	0.518	S	S	.	.	H	α-helix	trans	-78.3	-33.4	-179.2	-65.7	-24	0	0	0	110.3	S69 H70 I71 M76 E77	S69-D73 WeakPolarHBondContact O-CA 3.45Å; S69-D73 WeakPolarHBondContact O-CB 3.33Å; S69-D73 PolarHBondContact O-N 3.37Å; S69-D73 VanDerWaalsContact O-OD2 3.12Å; S69-D73 PolarHBondContact OG-OD2 3.22Å; H70-D73 PolarHBondContact O-N 3.46Å; I71-D73 VanDerWaalsContact C-N 3.35Å; D73-M76 CarbonylContact O-C 3.59Å; D73-M76 PolarHBondContact O-N 2.65Å; D73-E77 WeakPolarHBondContact O-CB 3.2Å; D73-E77 PolarHBondContact O-N 2.93Å
74	S	53.5	Low	52.1	Low	57 Å²	57	97.8 Å²	97.8	40%	0.399	54%	0.539	S	S	.	.	H	α-helix	trans	-72.4	-34.9	168.5	-69.8	0	0	0	0	112.1	H70 M76 L78	H70-S74 WeakPolarHBondContact O-CA 3.49Å; H70-S74 WeakPolarHBondContact O-CB 3.28Å; H70-S74 PolarHBondContact O-N 2.7Å; H70-S74 PolarHBondContact O-OG 2.71Å; S74-M76 VanDerWaalsContact C-N 3.33Å; S74-L78 WeakPolarHBondContact O-CB 3.33Å; S74-L78 WeakPolarHBondContact O-CD1 3.35Å; S74-L78 WeakPolarHBondContact O-CG 3.38Å; S74-L78 PolarHBondContact O-N 2.65Å
75	V	50.3	Low	50.1	Low	78 Å²	78	97.2 Å²	97.2	47%	0.473	54%	0.542	S	S	.	.	H	α-helix	trans	-68.6	-37.8	169.5	167	0	0	0	0	109.4	I71 K72 L78 T79	I71-V75 HydrophobicContact CG2-CG2 4.2Å; I71-V75 WeakPolarHBondContact O-CA 3.26Å; I71-V75 WeakPolarHBondContact O-CB 3.1Å; I71-V75 WeakPolarHBondContact O-CG2 3.42Å; I71-V75 PolarHBondContact O-N 3.14Å; K72-V75 CarbonylContact O-C 3.59Å; K72-V75 PolarHBondContact O-N 2.71Å; V75-L78 CarbonylContact O-C 3.45Å; V75-L78 PolarHBondContact O-N 2.82Å; V75-T79 WeakPolarHBondContact O-CG2 3.09Å; V75-T79 PolarHBondContact O-N 3.47Å; V75-T79 PolarHBondContact O-OG1 3.4Å
76	M	43.2	Very low	48.5	Very low	87 Å²	87	98 Å²	98	43%	0.429	56%	0.557	S	S	.	*	H	α-helix	trans	-69.6	-40.4	175.4	-79.3	-173.4	64.8	0	0	111.9	K72 D73 S74 T79 D80	K72-M76 HydrophobicContact CG-SD 4.43Å; K72-M76 WeakPolarHBondContact O-CA 3.48Å; K72-M76 WeakPolarHBondContact O-CB 3.26Å; K72-M76 WeakPolarHBondContact O-CG 3.47Å; K72-M76 PolarHBondContact O-N 2.7Å; D73-M76 CarbonylContact O-C 3.59Å; D73-M76 PolarHBondContact O-N 2.65Å; S74-M76 VanDerWaalsContact C-N 3.33Å; M76-T79 WeakPolarHBondContact CA-OG1 3.48Å; M76-T79 CarbonylContact O-C 3.59Å; M76-T79 PolarHBondContact O-N 2.81Å; M76-T79 VanDerWaalsContact O-N 3.16Å; M76-T79 PolarHBondContact O-OG1 2.68Å; M76-D80 VanDerWaalsContact O-CB 3.26Å; M76-D80 WeakPolarHBondContact O-CB 3.18Å; M76-D80 PolarHBondContact O-N 2.87Å
77	E	42.8	Very low	46.8	Very low	134 Å²	134	96.4 Å²	96.4	63%	0.626	56%	0.558	S	S	*	*	H	α-helix	trans	-67.9	-34.7	170.7	-93.7	-174.5	146.7	0	0	111.9	D73 T79 D80 T81	D73-E77 WeakPolarHBondContact O-CB 3.2Å; D73-E77 PolarHBondContact O-N 2.93Å; E77-T79 VanDerWaalsContact C-N 3.29Å; E77-D80 PolarHBondContact O-N 3.16Å; E77-T81 WeakPolarHBondContact O-CB 3.5Å; E77-T81 WeakPolarHBondContact O-CG2 3.37Å; E77-T81 PolarHBondContact O-N 2.93Å; E77-T81 PolarHBondContact O-OG1 2.84Å
78	L	43.3	Very low	45.6	Very low	125 Å²	125	95.3 Å²	95.3	65%	0.654	57%	0.568	S	S	*	*	H	α-helix	trans	-68.1	-28.6	169.8	-80.2	162.5	0	0	0	111.8	S74 V75 G82	S74-L78 WeakPolarHBondContact O-CB 3.33Å; S74-L78 WeakPolarHBondContact O-CD1 3.35Å; S74-L78 WeakPolarHBondContact O-CG 3.38Å; S74-L78 PolarHBondContact O-N 2.65Å; V75-L78 CarbonylContact O-C 3.45Å; V75-L78 PolarHBondContact O-N 2.82Å; L78-G82 WeakPolarHBondContact O-CA 3.3Å; L78-G82 PolarHBondContact O-N 3.38Å
79	T	40.7	Very low	45.1	Very low	80 Å²	80	97.3 Å²	97.3	49%	0.491	58%	0.575	S	S	.	*	H	α-helix	trans	-87.1	-23.1	171.7	48.3	0	0	0	0	114	V75 M76 E77 G82	V75-T79 WeakPolarHBondContact O-CG2 3.09Å; V75-T79 PolarHBondContact O-N 3.47Å; V75-T79 PolarHBondContact O-OG1 3.4Å; M76-T79 WeakPolarHBondContact CA-OG1 3.48Å; M76-T79 CarbonylContact O-C 3.59Å; M76-T79 PolarHBondContact O-N 2.81Å; M76-T79 VanDerWaalsContact O-N 3.16Å; M76-T79 PolarHBondContact O-OG1 2.68Å; E77-T79 VanDerWaalsContact C-N 3.29Å; T79-G82 CarbonylContact O-C 3.53Å; T79-G82 PolarHBondContact O-N 3.42Å
80	D	34.6	Very low	45.1	Very low	134 Å²	134	98.7 Å²	98.7	72%	0.717	58%	0.578	S	S	*	*	H	α-helix	trans	-93.5	-19.6	179.3	-85.1	-17.9	0	0	0	112.5	M76 E77 G82	M76-D80 VanDerWaalsContact O-CB 3.26Å; M76-D80 WeakPolarHBondContact O-CB 3.18Å; M76-D80 PolarHBondContact O-N 2.87Å; E77-D80 PolarHBondContact O-N 3.16Å; D80-G82 VanDerWaalsContact C-N 3.34Å
81	T	35.4	Very low	45.4	Very low	124 Å²	124	93.2 Å²	93.2	76%	0.761	55%	0.554	S	S	*	*	S	Bend	trans	-87.1	-8.8	156.7	57.9	0	0	0	0	112.4	E77	E77-T81 WeakPolarHBondContact O-CB 3.5Å; E77-T81 WeakPolarHBondContact O-CG2 3.37Å; E77-T81 PolarHBondContact O-N 2.93Å; E77-T81 PolarHBondContact O-OG1 2.84Å
82	G	35.5	Very low	45.9	Very low	29 Å²	29	93.9 Å²	93.9	30%	0.299	55%	0.553	S	S	.	*			trans	-111.8	68	-179.7	0	0	0	0	0	112.1	L78 T79 D80 V84	L78-G82 WeakPolarHBondContact O-CA 3.3Å; L78-G82 PolarHBondContact O-N 3.38Å; T79-G82 CarbonylContact O-C 3.53Å; T79-G82 PolarHBondContact O-N 3.42Å; D80-G82 VanDerWaalsContact C-N 3.34Å; G82-V84 VanDerWaalsContact C-N 3.32Å; G82-V84 PolarHBondContact O-N 2.81Å
83	A	28.7	Very low	46.4	Very low	95 Å²	95	93.3 Å²	93.3	79%	0.785	55%	0.547	S	S	*	.			trans	-54.1	99	160.7	0	0	0	0	0	109	S85	A83-S85 PolarHBondContact O-N 3.26Å
84	V	35	Very low	46.8	Very low	143 Å²	143	91.1 Å²	91.1	87%	0.867	54%	0.538	S	S	*	.			trans	-69.6	87.6	166.3	179.5	0	0	0	0	106.6	G82	G82-V84 VanDerWaalsContact C-N 3.32Å; G82-V84 PolarHBondContact O-N 2.81Å
85	S	26.3	Very low	47.2	Very low	74 Å²	74	94.1 Å²	94.1	52%	0.517	57%	0.567	S	S	.	*			trans	-82	131.7	170.2	-169.1	0	0	0	0	109.4	A83 S87	A83-S85 PolarHBondContact O-N 3.26Å; S85-S87 PolarHBondContact O-N 2.85Å; S85-S87 PolarHBondContact OG-OG 2.97Å
86	P	33.9	Very low	47.5	Very low	136 Å²	136	96.2 Å²	96.2	88%	0.883	58%	0.575	S	S	*	*	S	Bend	trans	-78.2	74.1	169.8	32.3	-30.9	0	0	0	109.4
87	S	34.3	Very low	48.3	Very low	75 Å²	75	93.8 Å²	93.8	52%	0.524	57%	0.572	S	S	.	*	S	Bend	trans	-162.4	121.7	175.4	54.1	0	0	0	0	110.9	S85 H89	S85-S87 PolarHBondContact O-N 2.85Å; S85-S87 PolarHBondContact OG-OG 2.97Å; S87-H89 PolarHBondContact O-N 3.04Å
88	G	47.2	Very low	49.4	Very low	63 Å²	63	88.1 Å²	88.1	65%	0.649	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-54.8	123.5	-178.2	0	0	0	0	0	113.4
89	H	55.7	Low	50.9	Low	140 Å²	140	84.3 Å²	84.3	65%	0.648	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-68.7	144.2	162.3	-75.6	-67.4	0	0	0	109.6	S87 P102	S87-H89 PolarHBondContact O-N 3.04Å; H89-P102 HydrophobicContact CB-CB 4.14Å; H89-P102 HydrophobicContact CB-CG 3.92Å; H89-P102 WeakPolarHBondContact O-CG 3.07Å
90	L	61.1	Low	52.2	Low	77 Å²	77	82.1 Å²	82.1	40%	0.403	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-75.5	144.5	170.9	-70.1	166.5	0	0	0	109.5	F92 P728 M729	L90-F92 PolarHBondContact O-N 3.35Å; L90-P728 HydrophobicContact CD1-CB 4.28Å; L90-P728 VanDerWaalsContact CD2-C 3.48Å; L90-P728 HydrophobicContact CD2-CB 4.2Å; L90-P728 WeakPolarHBondContact CD2-O 3.16Å; L90-M729 HydrophobicContact CD2-CG 4.39Å; L90-M729 HydrophobicContact CD2-SD 3.54Å; L90-M729 VanDerWaalsContact CD2-SD 3.54Å; L90-M729 HydrophobicContact CG-SD 4.46Å
91	P	70.9	Confident	53.9	Low	9 Å²	9	76.6 Å²	76.6	6%	0.058	48%	0.481	C	S	.	.	P	Polyproline II helix	trans	-49.6	133.3	162.1	-27.2	35	0	0	0	110.7	W99 V100 L101 P685 I731 P840	P91-W99 HydrophobicContact CB-CE3 4.27Å; P91-W99 HydrophobicContact CB-CZ3 4.46Å; P91-V100 WeakPolarHBondContact CA-O 3.26Å; P91-L101 HydrophobicContact CB-CD2 3.9Å; P91-L101 HydrophobicContact CG-CD2 3.72Å; P91-P685 HydrophobicContact CG-CB 4.03Å; P91-P685 HydrophobicContact CG-CG 4.44Å; P91-I731 HydrophobicContact CB-CD1 3.64Å; P91-I731 HydrophobicContact CG-CD1 3.62Å; P91-P840 HydrophobicContact CB-CB 3.76Å; P91-P840 HydrophobicContact CG-CB 4.31Å
92	F	72.8	Confident	55.2	Low	111 Å²	111	72.8 Å²	72.8	49%	0.487	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	162.3	-178.1	66.3	-87.7	0	0	0	111.2	L90 V100	L90-F92 PolarHBondContact O-N 3.35Å; F92-V100 HydrophobicContact CD1-CB 4.25Å; F92-V100 HydrophobicContact CD2-CB 4.28Å; F92-V100 HydrophobicContact CE1-CB 3.84Å; F92-V100 HydrophobicContact CE1-CG1 3.74Å; F92-V100 HydrophobicContact CE2-CB 3.86Å; F92-V100 HydrophobicContact CE2-CG1 4.27Å; F92-V100 HydrophobicContact CE2-CG2 4.03Å; F92-V100 HydrophobicContact CG-CB 4.46Å; F92-V100 HydrophobicContact CZ-CB 3.62Å; F92-V100 HydrophobicContact CZ-CG1 3.56Å; F92-V100 HydrophobicContact CZ-CG2 4.16Å; F92-V100 PolarHBondContact N-O 3.01Å; F92-V100 VanDerWaalsContact N-O 3.12Å; F92-V100 PolarHBondContact O-N 3.31Å
93	R	70.2	Confident	56.2	Low	114 Å²	114	79.3 Å²	79.3	43%	0.43	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	129.5	171.9	-71.8	-164.1	-177.4	-143.5	8	110.2	S98 W99 D734	R93-S98 WeakPolarHBondContact CA-O 3.13Å; R93-W99 HydrophobicContact CG-CD2 4.07Å; R93-W99 HydrophobicContact CG-CE3 4.07Å; R93-W99 HydrophobicContact CG-CH2 4.36Å; R93-W99 HydrophobicContact CG-CZ2 4.34Å; R93-W99 HydrophobicContact CG-CZ3 4.22Å; R93-D734 IonicContact NH2-OD2 2.76Å
94	S	67.6	Low	57.6	Low	29 Å²	29	78.4 Å²	78.4	20%	0.203	46%	0.461	C	S	.	.			trans	-74.2	169	171.1	47.2	0	0	0	0	111.7	N96 G97 S98	S94-N96 VanDerWaalsContact CB-OD1 3.23Å; S94-N96 WeakPolarHBondContact CB-OD1 3.18Å; S94-N96 PolarHBondContact O-N 2.79Å; S94-N96 VanDerWaalsContact O-N 3.13Å; S94-N96 PolarHBondContact OG-OD1 2.95Å; S94-G97 WeakPolarHBondContact O-CA 3.43Å; S94-G97 PolarHBondContact O-N 2.89Å; S94-S98 PolarHBondContact N-O 3Å; S94-S98 PolarHBondContact OG-O 3.29Å; S94-S98 PolarHBondContact OG-OG 3.45Å
95	A	61.3	Low	58.5	Low	120 Å²	120	74.1 Å²	74.1	99%	0.992	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-24	-178.2	0	0	0	0	0	114.3	G97	A95-G97 VanDerWaalsContact C-N 3.32Å
96	N	57.5	Low	60.3	Low	122 Å²	122	77.5 Å²	77.5	65%	0.652	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	9.7	173.3	58.5	-3.7	0	0	0	113.4	S94 S98	S94-N96 VanDerWaalsContact CB-OD1 3.23Å; S94-N96 WeakPolarHBondContact CB-OD1 3.18Å; S94-N96 PolarHBondContact O-N 2.79Å; S94-N96 VanDerWaalsContact O-N 3.13Å; S94-N96 PolarHBondContact OG-OD1 2.95Å; N96-S98 PolarHBondContact O-N 3.36Å; N96-S98 PolarHBondContact OD1-OG 3.32Å; N96-S98 VanDerWaalsContact OD1-OG 3.09Å
97	G	60.7	Low	61.6	Low	36 Å²	36	76 Å²	76	37%	0.371	44%	0.437	S	S	.	.	S	Bend	trans	83.9	-5.7	172.4	0	0	0	0	0	116.5	S94 A95	S94-G97 WeakPolarHBondContact O-CA 3.43Å; S94-G97 PolarHBondContact O-N 2.89Å; A95-G97 VanDerWaalsContact C-N 3.32Å
98	S	64.6	Low	63.3	Low	15 Å²	15	74.8 Å²	74.8	11%	0.105	43%	0.429	C	S	.	.			trans	-78.9	150.3	179	53.7	0	0	0	0	113.2	R93 S94 N96	R93-S98 WeakPolarHBondContact CA-O 3.13Å; S94-S98 PolarHBondContact N-O 3Å; S94-S98 PolarHBondContact OG-O 3.29Å; S94-S98 PolarHBondContact OG-OG 3.45Å; N96-S98 PolarHBondContact O-N 3.36Å; N96-S98 PolarHBondContact OD1-OG 3.32Å; N96-S98 VanDerWaalsContact OD1-OG 3.09Å
99	W	74.3	Confident	64.4	Low	44 Å²	44	76.8 Å²	76.8	17%	0.167	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	131.1	173.3	-72.4	107.4	0	0	0	111.8	P91 R93 I731 G839 P840 N860	P91-W99 HydrophobicContact CB-CE3 4.27Å; P91-W99 HydrophobicContact CB-CZ3 4.46Å; R93-W99 HydrophobicContact CG-CD2 4.07Å; R93-W99 HydrophobicContact CG-CE3 4.07Å; R93-W99 HydrophobicContact CG-CH2 4.36Å; R93-W99 HydrophobicContact CG-CZ2 4.34Å; R93-W99 HydrophobicContact CG-CZ3 4.22Å; W99-I731 HydrophobicContact CH2-CG2 4.12Å; W99-G839 VanDerWaalsContact CD1-C 3.49Å; W99-P840 HydrophobicContact CB-CB 4.3Å; W99-P840 HydrophobicContact CD2-CB 3.79Å; W99-P840 HydrophobicContact CE3-CB 3.81Å; W99-P840 VanDerWaalsContact CG-CA 3.48Å; W99-P840 HydrophobicContact CG-CB 4.04Å; W99-P840 HydrophobicContact CZ3-CB 4.35Å; W99-N860 PolarHBondContact O-ND2 2.49Å
100	V	68.1	Low	65.6	Low	35 Å²	35	73.1 Å²	73.1	21%	0.212	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	117.7	173.9	-175.5	0	0	0	0	108.8	P91 F92	P91-V100 WeakPolarHBondContact CA-O 3.26Å; F92-V100 HydrophobicContact CD1-CB 4.25Å; F92-V100 HydrophobicContact CD2-CB 4.28Å; F92-V100 HydrophobicContact CE1-CB 3.84Å; F92-V100 HydrophobicContact CE1-CG1 3.74Å; F92-V100 HydrophobicContact CE2-CB 3.86Å; F92-V100 HydrophobicContact CE2-CG1 4.27Å; F92-V100 HydrophobicContact CE2-CG2 4.03Å; F92-V100 HydrophobicContact CG-CB 4.46Å; F92-V100 HydrophobicContact CZ-CB 3.62Å; F92-V100 HydrophobicContact CZ-CG1 3.56Å; F92-V100 HydrophobicContact CZ-CG2 4.16Å; F92-V100 PolarHBondContact N-O 3.01Å; F92-V100 VanDerWaalsContact N-O 3.12Å; F92-V100 PolarHBondContact O-N 3.31Å
101	L	71.4	Confident	66.6	Low	17 Å²	17	71.7 Å²	71.7	9%	0.089	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-82.3	143.9	169.9	-63.6	-177.1	0	0	0	110	P91 F103 M708 P840 L841 N860	P91-L101 HydrophobicContact CB-CD2 3.9Å; P91-L101 HydrophobicContact CG-CD2 3.72Å; L101-F103 PolarHBondContact O-N 3.48Å; L101-M708 HydrophobicContact CD1-SD 4.38Å; L101-P840 HydrophobicContact CD2-CB 4.31Å; L101-L841 HydrophobicContact CD1-CD2 3.67Å; L101-L841 HydrophobicContact CD2-CD2 3.82Å; L101-L841 HydrophobicContact CG-CD2 4.41Å; L101-N860 WeakPolarHBondContact CD1-O 3.03Å
102	P	62.1	Low	67.1	Low	45 Å²	45	73 Å²	73	29%	0.292	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-55.8	128.6	170.6	-16.5	26.3	0	0	0	110.3	H89	H89-P102 HydrophobicContact CB-CB 4.14Å; H89-P102 HydrophobicContact CB-CG 3.92Å; H89-P102 WeakPolarHBondContact O-CG 3.07Å
103	F	56.1	Low	67.6	Low	165 Å²	165	72.7 Å²	72.7	72%	0.724	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-65.8	134.8	177.2	-170.3	-108.4	0	0	0	109.7	L101 G105	L101-F103 PolarHBondContact O-N 3.48Å; F103-G105 VanDerWaalsContact CD1-CA 3.4Å; F103-G105 PolarHBondContact O-N 3.02Å
104	D	59.1	Low	68.1	Low	76 Å²	76	71.5 Å²	71.5	41%	0.406	42%	0.418	S	S	.	.			trans	-80.7	3	-178.9	82.1	-18.6	0	0	0	113.6	R106 R710	D104-R106 PolarHBondContact O-N 3.36Å; D104-R106 PolarHBondContact OD1-N 3.03Å; D104-R710 IonicContact OD2-CZ 3.91Å; D104-R710 IonicContact OD2-NE 2.7Å; D104-R710 IonicContact OD2-NH2 2.66Å; D104-R710 PolarHBondContact OD2-NH2 2.7Å
105	G	53.5	Low	68.7	Low	54 Å²	54	74.6 Å²	74.6	56%	0.557	43%	0.429	S	S	*	.			trans	74.7	-4.1	176.5	0	0	0	0	0	114.6	F103	F103-G105 VanDerWaalsContact CD1-CA 3.4Å; F103-G105 PolarHBondContact O-N 3.02Å
106	R	64.4	Low	69.8	Low	145 Å²	145	69.8 Å²	69.8	55%	0.547	39%	0.386	S	S	.	.			trans	-88.1	128.2	-174.1	-66.9	-171.5	179	-161.5	1.6	111.1	D104	D104-R106 PolarHBondContact O-N 3.36Å; D104-R106 PolarHBondContact OD1-N 3.03Å
107	P	60.2	Low	70.9	Confident	103 Å²	103	65.2 Å²	65.2	67%	0.669	36%	0.364	S	S	*	.			trans	-65.8	138.2	176.7	26.6	-32.4	0	0	0	110.4	N1095	P107-N1095 PolarHBondContact O-OD1 2.96Å
108	S	69.7	Low	72	Confident	51 Å²	51	69.6 Å²	69.6	36%	0.357	37%	0.374	S	S	.	.			trans	-104.7	138.8	169.2	72.4	0	0	0	0	110.1	N1095	S108-N1095 VanDerWaalsContact CA-OD1 3.22Å; S108-N1095 WeakPolarHBondContact CA-OD1 3.2Å
109	F	71.8	Confident	72.9	Confident	104 Å²	104	70.6 Å²	70.6	46%	0.456	38%	0.377	S	S	.	.			trans	-147	147.7	176.6	65.3	-89.2	0	0	0	112.5	A111 N1095 C1096	F109-A111 HydrophobicContact CD2-CB 3.98Å; F109-A111 HydrophobicContact CE2-CB 4.25Å; F109-N1095 VanDerWaalsContact CD1-OD1 3.3Å; F109-N1095 WeakPolarHBondContact CD1-OD1 3.31Å; F109-N1095 HydrophobicContact CE1-CB 4.21Å; F109-N1095 HydrophobicContact CZ-CB 4.37Å; F109-N1095 PolarHBondContact N-OD1 3.4Å; F109-N1095 WeakPolarHBondContact O-CA 2.96Å; F109-C1096 PolarHBondContact O-N 2.61Å
110	L	79.6	Confident	73.3	Confident	64 Å²	64	69.4 Å²	69.4	34%	0.335	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	114.2	168.2	177.8	65.4	0	0	0	108.3	V112 L1092 C1096	L110-V112 HydrophobicContact CD1-CG2 3.67Å; L110-V112 HydrophobicContact CD2-CG2 4.39Å; L110-V112 HydrophobicContact CG-CG2 3.95Å; L110-L1092 HydrophobicContact CB-CD1 4.2Å; L110-L1092 HydrophobicContact CD2-CD1 3.67Å; L110-L1092 HydrophobicContact CG-CD1 4.37Å; L110-C1096 WeakPolarHBondContact CA-O 3.23Å; L110-C1096 HydrophobicContact CD1-CB 3.71Å; L110-C1096 WeakPolarHBondContact CD1-SG 3.1Å
111	A	82.6	Confident	73.7	Confident	46 Å²	46	71.3 Å²	71.3	38%	0.38	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	80.2	-179.9	0	0	0	0	0	110.2	F109 C1096 S1097 T1098	F109-A111 HydrophobicContact CD2-CB 3.98Å; F109-A111 HydrophobicContact CE2-CB 4.25Å; A111-C1096 PolarHBondContact N-O 2.77Å; A111-S1097 WeakPolarHBondContact O-CA 3.13Å; A111-T1098 PolarHBondContact O-N 3.44Å; A111-T1098 VanDerWaalsContact O-N 3.1Å
112	V	81.6	Confident	73.6	Confident	37 Å²	37	71.9 Å²	71.9	22%	0.224	40%	0.398	C	S	.	.			trans	-89	128.4	173.8	-174.2	0	0	0	0	109.3	L110 D116 C117 M1011 T1098	L110-V112 HydrophobicContact CD1-CG2 3.67Å; L110-V112 HydrophobicContact CD2-CG2 4.39Å; L110-V112 HydrophobicContact CG-CG2 3.95Å; V112-D116 HydrophobicContact CG1-CB 4.28Å; V112-C117 VanDerWaalsContact CG1-SG 3.56Å; V112-M1011 HydrophobicContact CG2-CG 4.36Å; V112-T1098 HydrophobicContact CB-CG2 4.42Å; V112-T1098 HydrophobicContact CG1-CG2 4.02Å; V112-T1098 HydrophobicContact CG2-CG2 4.28Å
113	K	83.1	Confident	73.8	Confident	104 Å²	104	75.7 Å²	75.7	45%	0.452	42%	0.421	S	S	.	.			trans	-69.2	135.7	175.9	-64.1	-68.2	-175.6	-178.2	0	109.8	Q115 D116 T1098 Q1100	K113-Q115 PolarHBondContact O-N 3.21Å; K113-Q115 VanDerWaalsContact O-N 3.1Å; K113-D116 WeakPolarHBondContact O-CB 3.39Å; K113-D116 PolarHBondContact O-N 3.18Å; K113-T1098 PolarHBondContact N-OG1 2.82Å; K113-Q1100 HydrophobicContact CB-CG 4.08Å; K113-Q1100 HydrophobicContact CG-CG 4.21Å
114	P	79.9	Confident	74.7	Confident	89 Å²	89	70 Å²	70	58%	0.578	39%	0.394	S	S	*	.	H	α-helix	trans	-53.9	-35.1	-179	-29.1	35.5	0	0	0	114.3	D116 C117 Q118	P114-D116 VanDerWaalsContact C-N 3.27Å; P114-D116 PolarHBondContact O-N 3.45Å; P114-C117 WeakPolarHBondContact O-CB 3.02Å; P114-C117 PolarHBondContact O-N 3.07Å; P114-Q118 PolarHBondContact O-N 3.3Å
115	Q	81.6	Confident	75.2	Confident	95 Å²	95	67.9 Å²	67.9	44%	0.444	39%	0.388	S	S	.	.	H	α-helix	trans	-62.9	-31.7	177.4	-64.5	81.8	4.3	0	0	112.9	K113 C117 Q118 Q1100	K113-Q115 PolarHBondContact O-N 3.21Å; K113-Q115 VanDerWaalsContact O-N 3.1Å; Q115-C117 PolarHBondContact O-N 2.88Å; Q115-Q118 WeakPolarHBondContact O-CB 3.14Å; Q115-Q118 PolarHBondContact O-N 3.4Å; Q115-Q1100 HydrophobicContact CB-CG 4.48Å
116	D	82.9	Confident	76.3	Confident	18 Å²	18	74.4 Å²	74.4	10%	0.096	40%	0.404	C	S	.	.	H	α-helix	trans	-72.1	-25.5	-180	-61.6	-24.3	0	0	0	111.3	V112 K113 P114 R1080 T1098 Q1100	V112-D116 HydrophobicContact CG1-CB 4.28Å; K113-D116 WeakPolarHBondContact O-CB 3.39Å; K113-D116 PolarHBondContact O-N 3.18Å; P114-D116 VanDerWaalsContact C-N 3.27Å; P114-D116 PolarHBondContact O-N 3.45Å; D116-R1080 IonicContact OD1-CZ 3.15Å; D116-R1080 IonicContact OD1-NH2 3.07Å; D116-R1080 PolarHBondContact OD1-NH2 3.38Å; D116-R1080 IonicContact OD2-NH2 3.19Å; D116-T1098 WeakPolarHBondContact OD2-CB 3.38Å; D116-T1098 PolarHBondContact OD2-OG1 3.43Å; D116-Q1100 VanDerWaalsContact OD1-CA 3.26Å; D116-Q1100 WeakPolarHBondContact OD1-CA 3.49Å; D116-Q1100 PolarHBondContact OD2-N 3.04Å
117	C	81.9	Confident	77.5	Confident	26 Å²	26	68.4 Å²	68.4	18%	0.176	38%	0.384	C	S	.	.	H	α-helix	trans	-79.2	-24.4	172.9	-57	0	0	0	0	113	V112 P114 Q115 F119 A120 C1085	V112-C117 VanDerWaalsContact CG1-SG 3.56Å; P114-C117 WeakPolarHBondContact O-CB 3.02Å; P114-C117 PolarHBondContact O-N 3.07Å; Q115-C117 PolarHBondContact O-N 2.88Å; C117-F119 PolarHBondContact O-N 2.8Å; C117-A120 PolarHBondContact O-N 2.8Å; C117-C1085 WeakPolarHBondContact CA-SG 3.33Å; C117-C1085 HydrophobicContact CB-CB 3.55Å; C117-C1085 WeakPolarHBondContact CB-SG 3.19Å; C117-C1085 WeakPolarHBondContact SG-CB 3.18Å; C117-C1085 CovalentContact SG-SG 2.03Å; C117-C1085 PolarHBondContact SG-SG 3.22Å
118	Q	82.8	Confident	79.1	Confident	128 Å²	128	68.2 Å²	68.2	60%	0.598	38%	0.377	S	S	*	.	H	α-helix	trans	-65.2	-30.8	-178.8	-71.1	177.7	-9.4	0	0	112	P114 Q115 A120 V121 G122	P114-Q118 PolarHBondContact O-N 3.3Å; Q115-Q118 WeakPolarHBondContact O-CB 3.14Å; Q115-Q118 PolarHBondContact O-N 3.4Å; Q118-A120 VanDerWaalsContact C-N 3.33Å; Q118-A120 PolarHBondContact O-N 3.1Å; Q118-V121 PolarHBondContact O-N 2.78Å; Q118-G122 PolarHBondContact O-N 3.04Å
119	F	84.9	Confident	80.3	Confident	37 Å²	37	66.8 Å²	66.8	16%	0.162	37%	0.366	C	S	.	.	H	α-helix	trans	-58.2	-46.2	177.5	-178.6	-94.3	0	0	0	111.1	C117 V121 G122 R124 W336 F1008 A1082 P1141 M1142	C117-F119 PolarHBondContact O-N 2.8Å; F119-V121 VanDerWaalsContact C-N 3.3Å; F119-V121 PolarHBondContact O-N 3.24Å; F119-G122 PolarHBondContact O-N 3.28Å; F119-R124 PolarHBondContact O-NH1 3.29Å; F119-R124 PolarHBondContact O-NH2 3.43Å; F119-W336 HydrophobicContact CE1-CB 4.42Å; F119-W336 HydrophobicContact CZ-CB 4.07Å; F119-W336 HydrophobicContact CZ-CD2 4.38Å; F119-W336 AromaticContact CZ-CE3 3.89Å; F119-W336 HydrophobicContact CZ-CE3 3.89Å; F119-W336 HydrophobicContact CZ-CG 4.49Å; F119-F1008 HydrophobicContact CD1-CE1 4.43Å; F119-F1008 HydrophobicContact CD1-CZ 4.2Å; F119-F1008 AromaticContact CE1-CE1 3.75Å; F119-F1008 HydrophobicContact CE1-CE1 3.75Å; F119-F1008 HydrophobicContact CE1-CE2 4.4Å; F119-F1008 AromaticContact CE1-CZ 3.62Å; F119-F1008 HydrophobicContact CE1-CZ 3.62Å; F119-A1082 HydrophobicContact CD1-CB 3.6Å; F119-A1082 HydrophobicContact CE1-CB 3.57Å; F119-P1141 HydrophobicContact CB-CB 4.16Å; F119-P1141 HydrophobicContact CB-CG 3.92Å; F119-P1141 HydrophobicContact CD1-CB 3.71Å; F119-P1141 HydrophobicContact CD1-CG 4.4Å; F119-P1141 HydrophobicContact CD2-CB 3.87Å; F119-P1141 HydrophobicContact CD2-CG 3.98Å; F119-P1141 HydrophobicContact CE1-CB 3.99Å; F119-P1141 HydrophobicContact CE2-CB 4.15Å; F119-P1141 HydrophobicContact CG-CB 3.63Å; F119-P1141 HydrophobicContact CG-CG 3.84Å; F119-P1141 HydrophobicContact CZ-CB 4.2Å; F119-M1142 HydrophobicContact CE1-CG 3.79Å; F119-M1142 HydrophobicContact CZ-CG 3.94Å
120	A	81.6	Confident	81.4	Confident	18 Å²	18	62.5 Å²	62.5	15%	0.149	35%	0.347	C	S	.	.	H	α-helix	trans	-67.7	-26.4	-177.7	0	0	0	0	0	114.1	C117 Q118 F1008 T1083	C117-A120 PolarHBondContact O-N 2.8Å; Q118-A120 VanDerWaalsContact C-N 3.33Å; Q118-A120 PolarHBondContact O-N 3.1Å; A120-F1008 HydrophobicContact CB-CD2 3.72Å; A120-F1008 HydrophobicContact CB-CE2 4.33Å; A120-F1008 HydrophobicContact CB-CG 4.41Å; A120-T1083 VanDerWaalsContact CB-O 3.25Å; A120-T1083 WeakPolarHBondContact CB-O 3.25Å
121	V	77	Confident	82.3	Confident	75 Å²	75	59.6 Å²	59.6	46%	0.455	33%	0.332	S	S	.	.	H	α-helix	trans	-98.5	-12.9	-177.3	-171.6	0	0	0	0	112.5	Q118 F119	Q118-V121 PolarHBondContact O-N 2.78Å; F119-V121 VanDerWaalsContact C-N 3.3Å; F119-V121 PolarHBondContact O-N 3.24Å
122	G	69.3	Low	82.8	Confident	30 Å²	30	59 Å²	59	31%	0.309	32%	0.322	S	S	.	.	S	Bend	trans	-65.9	144.6	-175.5	0	0	0	0	0	114.2	Q118 F119	Q118-G122 PolarHBondContact O-N 3.04Å; F119-G122 PolarHBondContact O-N 3.28Å
123	T	66	Low	83.4	Confident	124 Å²	124	62.3 Å²	62.3	76%	0.761	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-65	130	171.1	39.6	0	0	0	0	111.1
124	R	76.1	Confident	84.1	Confident	45 Å²	45	57.8 Å²	57.8	17%	0.17	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-87	157.5	179.6	-56.8	-56.8	-178.3	-139.7	-4.4	112	F119 Q126 F1008	F119-R124 PolarHBondContact O-NH1 3.29Å; F119-R124 PolarHBondContact O-NH2 3.43Å; R124-Q126 PolarHBondContact O-N 3.46Å; R124-F1008 VanDerWaalsContact NH2-CZ 3.34Å
125	A	68.4	Low	84.9	Confident	33 Å²	33	54 Å²	54	27%	0.273	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-64.3	122.7	169.5	0	0	0	0	0	108.9	T127 T338	A125-T127 PolarHBondContact O-N 3.08Å; A125-T338 WeakPolarHBondContact CB-O 3.46Å
126	Q	77	Confident	85.5	Confident	190 Å²	190	52 Å²	52	89%	0.888	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-63.9	128.9	174.1	-168.5	172.9	-1.3	0	0	108.8	R124	R124-Q126 PolarHBondContact O-N 3.46Å
127	T	88.9	Confident	86.2	Confident	20 Å²	20	56.6 Å²	56.6	12%	0.123	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-90.3	155.8	173.2	51.9	0	0	0	0	110	A125 V129 V488 S490	A125-T127 PolarHBondContact O-N 3.08Å; T127-V129 VanDerWaalsContact C-N 3.26Å; T127-V129 PolarHBondContact OG1-O 3.17Å; T127-V488 HydrophobicContact CG2-CG1 3.69Å; T127-S490 PolarHBondContact OG1-OG 3.39Å
128	D	93.8	Very high	86.9	Confident	99 Å²	99	56.2 Å²	56.2	53%	0.529	31%	0.311	S	S	.	.	S	Bend	trans	-68.8	-31.9	177.6	-56.3	-55.9	0	0	0	110.8	R482 P487 V488	D128-R482 IonicContact OD2-CZ 3.2Å; D128-R482 IonicContact OD2-NH1 3.49Å; D128-R482 IonicContact OD2-NH2 2.9Å; D128-R482 PolarHBondContact OD2-NH2 2.84Å; D128-P487 HydrophobicContact CB-CB 3.91Å; D128-P487 WeakPolarHBondContact OD2-CA 3.47Å; D128-V488 PolarHBondContact N-O 2.92Å; D128-V488 PolarHBondContact OD2-N 3.43Å
129	V	95.8	Very high	87.5	Confident	21 Å²	21	58 Å²	58	13%	0.127	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	119.5	178.8	-176.3	0	0	0	0	110.5	T127 V134 F322 P487 V488 L489 S490	T127-V129 VanDerWaalsContact C-N 3.26Å; T127-V129 PolarHBondContact OG1-O 3.17Å; V129-V134 HydrophobicContact CG1-CG2 3.66Å; V129-F322 HydrophobicContact CG1-CE1 4.21Å; V129-F322 HydrophobicContact CG1-CZ 3.87Å; V129-P487 HydrophobicContact CG2-CB 4.09Å; V129-V488 PolarHBondContact N-O 3.05Å; V129-L489 HydrophobicContact CB-CB 4.28Å; V129-L489 HydrophobicContact CB-CD1 4.28Å; V129-L489 HydrophobicContact CB-CG 4.24Å; V129-L489 HydrophobicContact CG1-CD1 3.91Å; V129-L489 HydrophobicContact CG1-CG 4.19Å; V129-L489 CarbonylContact O-C 3.49Å; V129-L489 VanDerWaalsContact O-CA 3.27Å; V129-L489 WeakPolarHBondContact O-CA 3.21Å; V129-S490 PolarHBondContact O-N 2.88Å
130	Q	95.3	Very high	88.1	Confident	13 Å²	13	57.2 Å²	57.2	6%	0.061	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	122.8	171.8	-145.1	-47.5	-53.8	0	0	109.8	L132 D133 V134 S490 T1005	Q130-L132 PolarHBondContact O-N 2.74Å; Q130-L132 VanDerWaalsContact OE1-CB 3.23Å; Q130-D133 HydrophobicContact CB-CB 4.23Å; Q130-D133 WeakPolarHBondContact CB-OD2 3.27Å; Q130-D133 WeakPolarHBondContact O-CB 2.92Å; Q130-D133 PolarHBondContact O-N 3.18Å; Q130-D133 VanDerWaalsContact O-N 3.08Å; Q130-V134 WeakPolarHBondContact O-CG2 3.33Å; Q130-V134 PolarHBondContact O-N 3.16Å; Q130-S490 PolarHBondContact NE2-O 2.97Å; Q130-S490 VanDerWaalsContact NE2-O 3.16Å; Q130-S490 PolarHBondContact NE2-OG 2.62Å; Q130-S490 VanDerWaalsContact NE2-OG 3.1Å; Q130-T1005 HydrophobicContact CG-CG2 3.65Å
131	M	97.1	Very high	88.5	Confident	4 Å²	4	60.9 Å²	60.9	2%	0.02	33%	0.33	C	S	.	.	H	α-helix	trans	-62.4	-33.1	-174.1	-70.4	-54.1	-57.7	0	0	115.4	D133 V134 Y135 I318 F322 L489 S490 F493	M131-D133 VanDerWaalsContact C-N 3.32Å; M131-V134 HydrophobicContact CE-CB 4.42Å; M131-V134 HydrophobicContact CE-CG1 4.32Å; M131-V134 WeakPolarHBondContact O-CB 3.4Å; M131-V134 PolarHBondContact O-N 3.02Å; M131-V134 HydrophobicContact SD-CB 4.5Å; M131-V134 HydrophobicContact SD-CG2 4.4Å; M131-Y135 HydrophobicContact CE-CD2 4.33Å; M131-Y135 HydrophobicContact CE-CE2 4.11Å; M131-Y135 VanDerWaalsContact O-CD2 3.24Å; M131-Y135 WeakPolarHBondContact O-CD2 3.29Å; M131-Y135 PolarHBondContact O-N 2.82Å; M131-I318 HydrophobicContact CE-CD1 3.81Å; M131-I318 HydrophobicContact CE-CG1 4.38Å; M131-I318 HydrophobicContact CE-CG2 4Å; M131-F322 HydrophobicContact CE-CZ 4.49Å; M131-F322 HydrophobicContact SD-CE2 4.43Å; M131-F322 HydrophobicContact SD-CZ 3.71Å; M131-L489 HydrophobicContact CG-CD2 4.06Å; M131-L489 HydrophobicContact CG-CG 4.43Å; M131-L489 HydrophobicContact SD-CD1 3.88Å; M131-L489 HydrophobicContact SD-CD2 4.42Å; M131-L489 HydrophobicContact SD-CG 4.36Å; M131-S490 WeakPolarHBondContact CG-O 3.3Å; M131-S490 PolarHBondContact N-O 3.05Å; M131-F493 HydrophobicContact CE-CD1 3.74Å; M131-F493 HydrophobicContact CE-CE1 3.65Å; M131-F493 HydrophobicContact CG-CE1 4.32Å; M131-F493 HydrophobicContact SD-CD1 4.26Å; M131-F493 HydrophobicContact SD-CE1 3.61Å; M131-F493 HydrophobicContact SD-CZ 4.24Å
132	L	94.1	Very high	89.3	Confident	32 Å²	32	59.4 Å²	59.4	17%	0.168	32%	0.319	C	S	.	.	H	α-helix	trans	-64.6	-36.2	172.6	-67.6	172	0	0	0	112.2	Q130 Y135 S136 P910 Y914	Q130-L132 PolarHBondContact O-N 2.74Å; Q130-L132 VanDerWaalsContact OE1-CB 3.23Å; L132-Y135 PolarHBondContact O-N 2.77Å; L132-S136 WeakPolarHBondContact O-CB 3.49Å; L132-S136 PolarHBondContact O-N 3.14Å; L132-S136 PolarHBondContact O-OG 2.91Å; L132-P910 HydrophobicContact CD1-CB 4.11Å; L132-P910 WeakPolarHBondContact CD2-O 3.4Å; L132-Y914 PolarHBondContact O-OH 3.24Å
133	D	95	Very high	90.5	Very high	107 Å²	107	60.7 Å²	60.7	57%	0.572	32%	0.323	S	S	*	.	H	α-helix	trans	-70.3	-40.9	174.7	-63.8	-24.8	0	0	0	110.4	Q130 M131 Y135 S136 L137	Q130-D133 HydrophobicContact CB-CB 4.23Å; Q130-D133 WeakPolarHBondContact CB-OD2 3.27Å; Q130-D133 WeakPolarHBondContact O-CB 2.92Å; Q130-D133 PolarHBondContact O-N 3.18Å; Q130-D133 VanDerWaalsContact O-N 3.08Å; M131-D133 VanDerWaalsContact C-N 3.32Å; D133-Y135 PolarHBondContact O-N 3.42Å; D133-S136 WeakPolarHBondContact O-CB 3.36Å; D133-S136 PolarHBondContact O-N 3.29Å; D133-S136 VanDerWaalsContact O-N 3.14Å; D133-L137 WeakPolarHBondContact O-CB 3.5Å; D133-L137 PolarHBondContact O-N 3.43Å
134	V	97.1	Very high	92	Very high	10 Å²	10	60 Å²	60	6%	0.061	31%	0.314	C	S	.	.	H	α-helix	trans	-58.9	-47.3	172	175.2	0	0	0	0	110.4	V129 Q130 M131 S136 L137 L138 F322	V129-V134 HydrophobicContact CG1-CG2 3.66Å; Q130-V134 WeakPolarHBondContact O-CG2 3.33Å; Q130-V134 PolarHBondContact O-N 3.16Å; M131-V134 HydrophobicContact CE-CB 4.42Å; M131-V134 HydrophobicContact CE-CG1 4.32Å; M131-V134 WeakPolarHBondContact O-CB 3.4Å; M131-V134 PolarHBondContact O-N 3.02Å; M131-V134 HydrophobicContact SD-CB 4.5Å; M131-V134 HydrophobicContact SD-CG2 4.4Å; V134-S136 VanDerWaalsContact C-N 3.27Å; V134-S136 PolarHBondContact O-N 2.84Å; V134-L137 WeakPolarHBondContact O-CB 3.11Å; V134-L137 PolarHBondContact O-N 2.86Å; V134-L137 VanDerWaalsContact O-N 3.14Å; V134-L138 HydrophobicContact CG1-CD1 3.81Å; V134-L138 HydrophobicContact CG1-CG 4.08Å; V134-L138 VanDerWaalsContact O-CG 3.29Å; V134-L138 WeakPolarHBondContact O-CG 3.06Å; V134-L138 PolarHBondContact O-N 2.92Å; V134-F322 HydrophobicContact CG1-CE1 4.21Å; V134-F322 HydrophobicContact CG2-CE1 4.18Å
135	Y	96.6	Very high	93	Very high	9 Å²	9	58.6 Å²	58.6	4%	0.035	31%	0.314	C	S	.	.	H	α-helix	trans	-60.1	-37.8	175.5	-93.5	-117.2	0	0	0	111.8	M131 L132 D133 F140 I318 F494 Y914 K916	M131-Y135 HydrophobicContact CE-CD2 4.33Å; M131-Y135 HydrophobicContact CE-CE2 4.11Å; M131-Y135 VanDerWaalsContact O-CD2 3.24Å; M131-Y135 WeakPolarHBondContact O-CD2 3.29Å; M131-Y135 PolarHBondContact O-N 2.82Å; L132-Y135 PolarHBondContact O-N 2.77Å; D133-Y135 PolarHBondContact O-N 3.42Å; Y135-F140 HydrophobicContact CD1-CE2 4.37Å; Y135-F140 AromaticContact CD1-CZ 3.74Å; Y135-F140 HydrophobicContact CD1-CZ 3.74Å; Y135-F140 HydrophobicContact CD2-CZ 4.41Å; Y135-F140 AromaticContact CE1-CZ 4Å; Y135-F140 HydrophobicContact CE1-CZ 4Å; Y135-F140 AromaticContact CG-CZ 3.96Å; Y135-F140 HydrophobicContact CG-CZ 3.96Å; Y135-F140 WeakPolarHBondContact O-CE2 2.99Å; Y135-I318 HydrophobicContact CD2-CD1 4.46Å; Y135-I318 HydrophobicContact CE2-CD1 3.55Å; Y135-I318 HydrophobicContact CE2-CG1 4.44Å; Y135-F494 PolarHBondContact OH-O 3.36Å; Y135-Y914 HydrophobicContact CD1-CD2 4.39Å; Y135-Y914 HydrophobicContact CD1-CE2 4.01Å; Y135-Y914 HydrophobicContact CG-CE2 4.43Å; Y135-K916 WeakPolarHBondContact O-CE 3.38Å; Y135-K916 PolarHBondContact O-NZ 2.82Å
136	S	95.1	Very high	94.3	Very high	52 Å²	52	58.8 Å²	58.8	36%	0.364	32%	0.318	S	S	.	.	H	α-helix	trans	-66	-39	175.6	-64.9	0	0	0	0	112.1	L132 D133 V134 Y914 K916	L132-S136 WeakPolarHBondContact O-CB 3.49Å; L132-S136 PolarHBondContact O-N 3.14Å; L132-S136 PolarHBondContact O-OG 2.91Å; D133-S136 WeakPolarHBondContact O-CB 3.36Å; D133-S136 PolarHBondContact O-N 3.29Å; D133-S136 VanDerWaalsContact O-N 3.14Å; V134-S136 VanDerWaalsContact C-N 3.27Å; V134-S136 PolarHBondContact O-N 2.84Å; S136-Y914 PolarHBondContact OG-OH 3.25Å; S136-Y914 VanDerWaalsContact OG-OH 3.11Å; S136-K916 PolarHBondContact O-NZ 2.79Å
137	L	96.5	Very high	95.3	Very high	116 Å²	116	53 Å²	53	61%	0.607	30%	0.296	S	S	*	.	H	α-helix	trans	-69.5	-43.4	179.1	-179.1	67.9	0	0	0	113.4	D133 V134	D133-L137 WeakPolarHBondContact O-CB 3.5Å; D133-L137 PolarHBondContact O-N 3.43Å; V134-L137 WeakPolarHBondContact O-CB 3.11Å; V134-L137 PolarHBondContact O-N 2.86Å; V134-L137 VanDerWaalsContact O-N 3.14Å
138	L	97.2	Very high	95.7	Very high	18 Å²	18	52.8 Å²	52.8	9%	0.094	29%	0.293	C	S	.	.			trans	-68.8	138.1	-171.2	-68.8	179	0	0	0	112.6	V134 F140 I318 H321 K916	V134-L138 HydrophobicContact CG1-CD1 3.81Å; V134-L138 HydrophobicContact CG1-CG 4.08Å; V134-L138 VanDerWaalsContact O-CG 3.29Å; V134-L138 WeakPolarHBondContact O-CG 3.06Å; V134-L138 PolarHBondContact O-N 2.92Å; L138-F140 HydrophobicContact CB-CD2 3.88Å; L138-F140 HydrophobicContact CB-CE1 4.38Å; L138-F140 HydrophobicContact CB-CE2 3.63Å; L138-F140 HydrophobicContact CB-CG 4.38Å; L138-F140 HydrophobicContact CB-CZ 3.9Å; L138-F140 HydrophobicContact CD1-CE1 4.1Å; L138-F140 HydrophobicContact CD1-CZ 4.02Å; L138-F140 WeakPolarHBondContact O-CD2 3.38Å; L138-I318 HydrophobicContact CD1-CG1 3.82Å; L138-H321 HydrophobicContact CD2-CB 3.68Å; L138-K916 WeakPolarHBondContact O-CE 3.39Å; L138-K916 PolarHBondContact O-NZ 3.37Å
139	K	95.7	Very high	95.9	Very high	164 Å²	164	53.6 Å²	53.6	71%	0.713	29%	0.292	S	S	*	.			trans	-79.4	-22.1	172.9	-66.3	-177.4	-178.1	177.8	0	113.2	D141	K139-D141 PolarHBondContact O-N 3.05Å
140	F	95.9	Very high	96	Very high	22 Å²	22	53.6 Å²	53.6	10%	0.096	29%	0.29	C	S	.	.			trans	56.6	32.6	-173	-61.5	-87.3	0	0	0	113.5	Y135 L138 H315 K916 L917	Y135-F140 HydrophobicContact CD1-CE2 4.37Å; Y135-F140 AromaticContact CD1-CZ 3.74Å; Y135-F140 HydrophobicContact CD1-CZ 3.74Å; Y135-F140 HydrophobicContact CD2-CZ 4.41Å; Y135-F140 AromaticContact CE1-CZ 4Å; Y135-F140 HydrophobicContact CE1-CZ 4Å; Y135-F140 AromaticContact CG-CZ 3.96Å; Y135-F140 HydrophobicContact CG-CZ 3.96Å; Y135-F140 WeakPolarHBondContact O-CE2 2.99Å; L138-F140 HydrophobicContact CB-CD2 3.88Å; L138-F140 HydrophobicContact CB-CE1 4.38Å; L138-F140 HydrophobicContact CB-CE2 3.63Å; L138-F140 HydrophobicContact CB-CG 4.38Å; L138-F140 HydrophobicContact CB-CZ 3.9Å; L138-F140 HydrophobicContact CD1-CE1 4.1Å; L138-F140 HydrophobicContact CD1-CZ 4.02Å; L138-F140 WeakPolarHBondContact O-CD2 3.38Å; F140-H315 AromaticContact CD1-CE1 3.6Å; F140-H315 AromaticContact CD1-NE2 3.81Å; F140-K916 HydrophobicContact CD2-CD 4.39Å; F140-L917 HydrophobicContact CB-CD2 3.74Å; F140-L917 HydrophobicContact CD1-CD2 3.92Å; F140-L917 HydrophobicContact CD2-CD2 3.43Å; F140-L917 VanDerWaalsContact CD2-CD2 3.43Å; F140-L917 HydrophobicContact CD2-CG 4.43Å; F140-L917 HydrophobicContact CE1-CD2 4.35Å; F140-L917 HydrophobicContact CE2-CD2 3.9Å; F140-L917 HydrophobicContact CG-CD2 3.42Å; F140-L917 VanDerWaalsContact CG-CD2 3.42Å; F140-L917 HydrophobicContact CZ-CD2 4.34Å
141	D	90.7	Very high	96.1	Very high	95 Å²	95	53 Å²	53	51%	0.508	29%	0.288	S	S	.	.			trans	-76.4	152.8	166.1	56.9	-18.9	0	0	0	110.9	K139 P143	K139-D141 PolarHBondContact O-N 3.05Å; D141-P143 WeakPolarHBondContact O-CD 3.38Å
142	N	93.1	Very high	96.1	Very high	43 Å²	43	56 Å²	56	23%	0.23	30%	0.301	C	S	.	.			trans	-123.2	61.4	179.9	-169.5	30	0	0	0	111.9	Y316 E500	N142-Y316 HydrophobicContact CB-CE2 3.78Å; N142-Y316 WeakPolarHBondContact OD1-CE2 3.38Å; N142-E500 PolarHBondContact ND2-OE1 3.45Å; N142-E500 PolarHBondContact ND2-OE2 2.96Å
143	P	95.7	Very high	96.2	Very high	58 Å²	58	60.2 Å²	60.2	38%	0.377	32%	0.324	S	S	.	.			trans	-69.1	142.8	175.1	30.8	-34.9	0	0	0	110.8	D141 G145	D141-P143 WeakPolarHBondContact O-CD 3.38Å; P143-G145 PolarHBondContact O-N 2.95Å; P143-G145 VanDerWaalsContact O-N 3.13Å
144	D	96.7	Very high	96.3	Very high	110 Å²	110	55.5 Å²	55.5	59%	0.588	30%	0.298	S	S	*	.			trans	-63.8	111.9	177.4	-172.7	-15.3	0	0	0	110.7	G146 K149	D144-G146 VanDerWaalsContact C-N 3.26Å; D144-G146 PolarHBondContact O-N 3.3Å; D144-G146 PolarHBondContact OD1-N 3.44Å; D144-K149 WeakPolarHBondContact OD1-CD 3.44Å; D144-K149 IonicContact OD1-NZ 2.76Å; D144-K149 PolarHBondContact OD1-NZ 3.36Å; D144-K149 IonicContact OD2-NZ 3.86Å; D144-K149 PolarHBondContact OD2-NZ 2.81Å
145	G	96.8	Very high	96.2	Very high	15 Å²	15	59.9 Å²	59.9	16%	0.155	33%	0.325	C	S	.	.			trans	-80.5	5.9	179.2	0	0	0	0	0	115.2	P143 W148 K149 G151	P143-G145 PolarHBondContact O-N 2.95Å; P143-G145 VanDerWaalsContact O-N 3.13Å; G145-W148 CarbonylContact C-O 3.6Å; G145-W148 VanDerWaalsContact C-O 3.31Å; G145-W148 WeakPolarHBondContact CA-O 3.43Å; G145-K149 PolarHBondContact N-O 3.45Å; G145-G151 WeakPolarHBondContact CA-O 3.5Å
146	G	97.4	Very high	96.2	Very high	36 Å²	36	61.7 Å²	61.7	37%	0.371	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.5	-126.8	-179.1	0	0	0	0	0	112.4	D144 K149	D144-G146 VanDerWaalsContact C-N 3.26Å; D144-G146 PolarHBondContact O-N 3.3Å; D144-G146 PolarHBondContact OD1-N 3.44Å; G146-K149 WeakPolarHBondContact O-CD 3.45Å; G146-K149 WeakPolarHBondContact O-CE 3.36Å; G146-K149 PolarHBondContact O-NZ 3.35Å
147	V	96.8	Very high	96.2	Very high	69 Å²	69	65.2 Å²	65.2	42%	0.418	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-39.5	178	-64.3	0	0	0	0	111.3	K149 D363	V147-K149 PolarHBondContact O-N 2.93Å; V147-D363 HydrophobicContact CB-CB 3.98Å; V147-D363 HydrophobicContact CG2-CB 3.91Å
148	W	97.9	Very high	95.8	Very high	16 Å²	16	64.1 Å²	64.1	6%	0.061	34%	0.343	C	S	.	.	S	Bend	trans	-88.1	89.9	164.8	178.4	24.1	0	0	0	109.3	G145 Q150 G151 F152 I154 F351 P362 L413	G145-W148 CarbonylContact C-O 3.6Å; G145-W148 VanDerWaalsContact C-O 3.31Å; G145-W148 WeakPolarHBondContact CA-O 3.43Å; W148-Q150 PolarHBondContact O-N 2.84Å; W148-G151 VanDerWaalsContact CD2-CA 3.45Å; W148-G151 VanDerWaalsContact CE2-CA 3.49Å; W148-G151 PolarHBondContact O-N 2.84Å; W148-F152 HydrophobicContact CH2-CD1 4.45Å; W148-F152 HydrophobicContact CH2-CE1 4.1Å; W148-F152 AromaticContact CZ3-CD1 4Å; W148-F152 HydrophobicContact CZ3-CD1 4Å; W148-F152 HydrophobicContact CZ3-CD2 4.48Å; W148-F152 AromaticContact CZ3-CE1 3.85Å; W148-F152 HydrophobicContact CZ3-CE1 3.85Å; W148-F152 HydrophobicContact CZ3-CE2 4.35Å; W148-F152 HydrophobicContact CZ3-CG 4.32Å; W148-F152 HydrophobicContact CZ3-CZ 4.03Å; W148-I154 HydrophobicContact CE3-CD1 3.76Å; W148-I154 HydrophobicContact CE3-CG1 4.24Å; W148-I154 HydrophobicContact CZ3-CD1 3.87Å; W148-I154 HydrophobicContact CZ3-CG1 4.3Å; W148-F351 HydrophobicContact CD2-CD1 4.16Å; W148-F351 AromaticContact CD2-CE1 3.96Å; W148-F351 HydrophobicContact CD2-CE1 3.96Å; W148-F351 AromaticContact CE2-CD1 3.77Å; W148-F351 AromaticContact CE2-CE1 3.94Å; W148-F351 HydrophobicContact CE3-CE1 4.3Å; W148-F351 HydrophobicContact CG-CD1 4.37Å; W148-F351 HydrophobicContact CG-CE1 4.36Å; W148-F351 HydrophobicContact CZ2-CD1 4.19Å; W148-F351 HydrophobicContact CZ2-CE1 4.28Å; W148-F351 AromaticContact NE1-CD1 3.7Å; W148-P362 HydrophobicContact CB-CB 3.84Å; W148-P362 WeakPolarHBondContact CB-O 3.27Å; W148-P362 HydrophobicContact CG-CB 4.38Å; W148-L413 HydrophobicContact CH2-CD1 4.48Å; W148-L413 HydrophobicContact CZ3-CD1 4.47Å; W148-L413 HydrophobicContact CZ3-CD2 4.24Å
149	K	97.9	Very high	95.5	Very high	116 Å²	116	67.9 Å²	67.9	50%	0.504	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-35.1	-169.3	-71.5	-71.3	162.9	-148.4	0	115.3	D144 G145 G146 V147	D144-K149 WeakPolarHBondContact OD1-CD 3.44Å; D144-K149 IonicContact OD1-NZ 2.76Å; D144-K149 PolarHBondContact OD1-NZ 3.36Å; D144-K149 IonicContact OD2-NZ 3.86Å; D144-K149 PolarHBondContact OD2-NZ 2.81Å; G145-K149 PolarHBondContact N-O 3.45Å; G146-K149 WeakPolarHBondContact O-CD 3.45Å; G146-K149 WeakPolarHBondContact O-CE 3.36Å; G146-K149 PolarHBondContact O-NZ 3.35Å; V147-K149 PolarHBondContact O-N 2.93Å
150	Q	97.2	Very high	95.4	Very high	20 Å²	20	63.1 Å²	63.1	9%	0.093	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	8.5	-174.3	-63.9	173.2	-47.5	0	0	113.3	W148 Y316 K320 D498	W148-Q150 PolarHBondContact O-N 2.84Å; Q150-Y316 HydrophobicContact CB-CD2 4.34Å; Q150-Y316 VanDerWaalsContact CD-CB 3.5Å; Q150-Y316 HydrophobicContact CG-CD2 4.35Å; Q150-Y316 HydrophobicContact CG-CG 4.35Å; Q150-K320 WeakPolarHBondContact O-CD 3.34Å; Q150-D498 PolarHBondContact NE2-O 3.44Å
151	G	96.8	Very high	95.3	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.01	34%	0.339	C	S	.	.	S	Bend	trans	-123.1	-124.9	-178.4	0	0	0	0	0	112.8	G145 W148 K320	G145-G151 WeakPolarHBondContact CA-O 3.5Å; W148-G151 VanDerWaalsContact CD2-CA 3.45Å; W148-G151 VanDerWaalsContact CE2-CA 3.49Å; W148-G151 PolarHBondContact O-N 2.84Å; G151-K320 VanDerWaalsContact O-CE 3.27Å; G151-K320 WeakPolarHBondContact O-CE 3.22Å; G151-K320 PolarHBondContact O-NZ 3.24Å; G151-K320 VanDerWaalsContact O-NZ 3.13Å
152	F	97.3	Very high	95.4	Very high	68 Å²	68	61.6 Å²	61.6	30%	0.298	34%	0.336	S	S	.	.			trans	-153.2	166.5	-176.9	49.6	-92.7	0	0	0	109.5	W148 I154 K320 L413	W148-F152 HydrophobicContact CH2-CD1 4.45Å; W148-F152 HydrophobicContact CH2-CE1 4.1Å; W148-F152 AromaticContact CZ3-CD1 4Å; W148-F152 HydrophobicContact CZ3-CD1 4Å; W148-F152 HydrophobicContact CZ3-CD2 4.48Å; W148-F152 AromaticContact CZ3-CE1 3.85Å; W148-F152 HydrophobicContact CZ3-CE1 3.85Å; W148-F152 HydrophobicContact CZ3-CE2 4.35Å; W148-F152 HydrophobicContact CZ3-CG 4.32Å; W148-F152 HydrophobicContact CZ3-CZ 4.03Å; F152-I154 HydrophobicContact CD2-CG1 4.16Å; F152-I154 HydrophobicContact CE2-CG1 4Å; F152-K320 HydrophobicContact CD1-CG 4.31Å; F152-L413 HydrophobicContact CE2-CD2 4.41Å; F152-L413 HydrophobicContact CZ-CD2 4.13Å
153	D	96.8	Very high	95.2	Very high	120 Å²	120	67.3 Å²	67.3	64%	0.642	37%	0.366	S	S	*	.			trans	-70.5	131.6	175	-168.5	27	0	0	0	110.7
154	I	97.8	Very high	95.1	Very high	8 Å²	8	68.3 Å²	68.3	4%	0.041	37%	0.366	C	S	.	.			trans	-110	120.6	-175.1	-56.6	165.1	0	0	0	109	W148 F152 P362 K409 K412 L413	W148-I154 HydrophobicContact CE3-CD1 3.76Å; W148-I154 HydrophobicContact CE3-CG1 4.24Å; W148-I154 HydrophobicContact CZ3-CD1 3.87Å; W148-I154 HydrophobicContact CZ3-CG1 4.3Å; F152-I154 HydrophobicContact CD2-CG1 4.16Å; F152-I154 HydrophobicContact CE2-CG1 4Å; I154-P362 HydrophobicContact CD1-CB 3.93Å; I154-P362 HydrophobicContact CD1-CG 4.04Å; I154-K409 HydrophobicContact CB-CB 4.21Å; I154-K409 HydrophobicContact CB-CG 4.27Å; I154-K409 HydrophobicContact CG2-CB 4.01Å; I154-K409 HydrophobicContact CG2-CG 4.2Å; I154-K409 WeakPolarHBondContact CG2-O 3.18Å; I154-K409 VanDerWaalsContact O-CE 3.31Å; I154-K409 WeakPolarHBondContact O-CE 3.2Å; I154-K409 WeakPolarHBondContact O-CG 3.39Å; I154-K412 HydrophobicContact CG2-CB 3.85Å; I154-K412 HydrophobicContact CG2-CG 4.14Å; I154-L413 HydrophobicContact CD1-CD1 3.99Å; I154-L413 HydrophobicContact CD1-CD2 3.56Å; I154-L413 HydrophobicContact CD1-CG 4.05Å; I154-L413 HydrophobicContact CG1-CD2 4.11Å
155	T	95.4	Very high	95	Very high	102 Å²	102	66 Å²	66	63%	0.626	36%	0.357	S	S	*	.			trans	-116.3	160.6	175.5	59.8	0	0	0	0	111.1
156	Y	96.3	Very high	95.1	Very high	46 Å²	46	65.4 Å²	65.4	18%	0.18	35%	0.35	C	S	.	.			trans	-147.9	155.9	176.5	58.7	-96.5	0	0	0	109.5	W161 D405 R408 K409	Y156-W161 AromaticContact CD2-CH2 3.81Å; Y156-W161 HydrophobicContact CD2-CH2 3.81Å; Y156-W161 AromaticContact CD2-CZ3 3.54Å; Y156-W161 HydrophobicContact CD2-CZ3 3.54Å; Y156-W161 HydrophobicContact CE2-CZ3 4.09Å; Y156-W161 AromaticContact CG-CH2 3.81Å; Y156-W161 HydrophobicContact CG-CH2 3.81Å; Y156-W161 HydrophobicContact CG-CZ3 4.05Å; Y156-D405 WeakPolarHBondContact CE1-OD1 3.32Å; Y156-D405 PolarHBondContact OH-OD1 3.38Å; Y156-R408 HydrophobicContact CD1-CB 3.86Å; Y156-R408 HydrophobicContact CD2-CB 4.4Å; Y156-R408 HydrophobicContact CE1-CB 3.64Å; Y156-R408 HydrophobicContact CE2-CB 4.21Å; Y156-R408 HydrophobicContact CG-CB 4.25Å; Y156-K409 HydrophobicContact CD1-CG 3.96Å; Y156-K409 HydrophobicContact CE1-CG 3.89Å
157	E	94.8	Very high	95.2	Very high	127 Å²	127	66.2 Å²	66.2	59%	0.593	35%	0.345	S	S	*	.			trans	-83.5	139.9	173.8	-61	-55.4	142.7	0	0	109.7	D159 E160	E157-D159 VanDerWaalsContact C-N 3.25Å; E157-D159 PolarHBondContact O-N 2.92Å; E157-E160 WeakPolarHBondContact O-CB 3.4Å; E157-E160 PolarHBondContact O-N 2.85Å
158	P	87.3	Confident	95.2	Very high	92 Å²	92	63 Å²	63	60%	0.597	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-29.8	-174.8	-26.3	35.5	0	0	0	115.3
159	D	91.4	Very high	95.3	Very high	98 Å²	98	62.6 Å²	62.6	52%	0.524	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	4.4	-173.2	63.6	-27.3	0	0	0	114.1	E157 W161 D162	E157-D159 VanDerWaalsContact C-N 3.25Å; E157-D159 PolarHBondContact O-N 2.92Å; D159-W161 PolarHBondContact O-N 2.8Å; D159-W161 VanDerWaalsContact O-N 3.09Å; D159-D162 WeakPolarHBondContact CA-OD1 3.34Å; D159-D162 WeakPolarHBondContact CB-OD2 3.32Å; D159-D162 WeakPolarHBondContact O-CB 3.14Å; D159-D162 VanDerWaalsContact O-CG 3.31Å; D159-D162 PolarHBondContact O-N 3.09Å; D159-D162 VanDerWaalsContact O-N 3.14Å
160	E	92.7	Very high	95.3	Very high	64 Å²	64	57 Å²	57	30%	0.299	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-22.3	-173	-175.1	168.6	-179	0	0	114.4	E157 K412 K417	E157-E160 WeakPolarHBondContact O-CB 3.4Å; E157-E160 PolarHBondContact O-N 2.85Å; E160-K412 IonicContact OE1-NZ 3.74Å; E160-K412 PolarHBondContact OE1-NZ 2.66Å; E160-K412 WeakPolarHBondContact OE2-CD 3.31Å; E160-K412 IonicContact OE2-NZ 2.65Å; E160-K412 PolarHBondContact OE2-NZ 2.83Å; E160-K417 PolarHBondContact O-NZ 3.07Å
161	W	95.5	Very high	95.4	Very high	3 Å²	3	56.1 Å²	56.1	1%	0.011	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105	3	-179.3	-61.8	-83.3	0	0	0	114.1	Y156 D159 N163 E164 L166 R408 S411 H456	Y156-W161 AromaticContact CD2-CH2 3.81Å; Y156-W161 HydrophobicContact CD2-CH2 3.81Å; Y156-W161 AromaticContact CD2-CZ3 3.54Å; Y156-W161 HydrophobicContact CD2-CZ3 3.54Å; Y156-W161 HydrophobicContact CE2-CZ3 4.09Å; Y156-W161 AromaticContact CG-CH2 3.81Å; Y156-W161 HydrophobicContact CG-CH2 3.81Å; Y156-W161 HydrophobicContact CG-CZ3 4.05Å; D159-W161 PolarHBondContact O-N 2.8Å; D159-W161 VanDerWaalsContact O-N 3.09Å; W161-N163 VanDerWaalsContact C-N 3.27Å; W161-N163 PolarHBondContact O-N 2.94Å; W161-E164 WeakPolarHBondContact CA-O 3.41Å; W161-E164 CarbonylContact O-C 3.58Å; W161-E164 PolarHBondContact O-N 3.39Å; W161-E164 VanDerWaalsContact O-O 3.13Å; W161-L166 HydrophobicContact CG-CB 4.23Å; W161-R408 HydrophobicContact CD2-CG 4.42Å; W161-R408 HydrophobicContact CE3-CG 4.09Å; W161-R408 HydrophobicContact CH2-CB 3.48Å; W161-R408 VanDerWaalsContact CH2-CB 3.48Å; W161-R408 HydrophobicContact CH2-CG 3.48Å; W161-R408 VanDerWaalsContact CH2-CG 3.48Å; W161-R408 HydrophobicContact CZ2-CB 3.97Å; W161-R408 HydrophobicContact CZ2-CG 3.83Å; W161-R408 HydrophobicContact CZ3-CB 4.02Å; W161-R408 VanDerWaalsContact CZ3-CD 3.45Å; W161-R408 HydrophobicContact CZ3-CG 3.62Å; W161-S411 WeakPolarHBondContact CZ2-OG 3.36Å; W161-H456 HydrophobicContact CB-CB 3.66Å; W161-H456 WeakPolarHBondContact O-CB 3.24Å
162	D	91.4	Very high	95.5	Very high	82 Å²	82	56 Å²	56	44%	0.439	30%	0.295	S	S	.	.	S	Bend	trans	-59.8	-38.3	-175.9	-71.1	14.1	0	0	0	112.4	D159 H456	D159-D162 WeakPolarHBondContact CA-OD1 3.34Å; D159-D162 WeakPolarHBondContact CB-OD2 3.32Å; D159-D162 WeakPolarHBondContact O-CB 3.14Å; D159-D162 VanDerWaalsContact O-CG 3.31Å; D159-D162 PolarHBondContact O-N 3.09Å; D159-D162 VanDerWaalsContact O-N 3.14Å; D162-H456 IonicContact OD1-CD2 3.66Å; D162-H456 PolarHBondContact OD1-CD2 3.01Å; D162-H456 IonicContact OD1-NE2 3.23Å; D162-H456 PolarHBondContact OD1-NE2 3.07Å
163	N	90.3	Very high	95.6	Very high	162 Å²	162	53 Å²	53	87%	0.866	28%	0.281	S	S	*	.	S	Bend	trans	-87.3	-23.8	-179.5	-65.9	-48.9	0	0	0	114.1	W161	W161-N163 VanDerWaalsContact C-N 3.27Å; W161-N163 PolarHBondContact O-N 2.94Å
164	E	92.5	Very high	95.7	Very high	80 Å²	80	47.5 Å²	47.5	37%	0.374	25%	0.252	S	S	.	.	S	Bend	trans	-152.2	110.5	-179.1	-178.2	-170.1	-172.7	0	0	108.6	W161 K417	W161-E164 WeakPolarHBondContact CA-O 3.41Å; W161-E164 CarbonylContact O-C 3.58Å; W161-E164 PolarHBondContact O-N 3.39Å; W161-E164 VanDerWaalsContact O-O 3.13Å; E164-K417 HydrophobicContact CB-CD 3.89Å; E164-K417 HydrophobicContact CG-CD 3.89Å; E164-K417 VanDerWaalsContact O-CD 3.3Å; E164-K417 WeakPolarHBondContact O-CD 3.3Å; E164-K417 PolarHBondContact O-NZ 2.91Å; E164-K417 VanDerWaalsContact OE2-CD 3.31Å; E164-K417 WeakPolarHBondContact OE2-CD 3.48Å; E164-K417 WeakPolarHBondContact OE2-CE 3.49Å; E164-K417 IonicContact OE2-NZ 3.68Å
165	P	95.6	Very high	95.7	Very high	62 Å²	62	47.3 Å²	47.3	40%	0.403	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-59.8	147.8	-178.2	-26.7	35.2	0	0	0	113.5	Q167 H456	P165-Q167 PolarHBondContact O-N 3.27Å; P165-H456 CarbonylContact C-O 3.55Å; P165-H456 VanDerWaalsContact CA-O 3.25Å; P165-H456 WeakPolarHBondContact CA-O 3.43Å
166	L	98.1	Very high	95.9	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	120.1	170.8	-175.6	65.9	0	0	0	109.9	W161 V168 L404 R408 L419 H456 V457 Q458	W161-L166 HydrophobicContact CG-CB 4.23Å; L166-V168 HydrophobicContact CD2-CG2 3.8Å; L166-V168 HydrophobicContact CG-CG2 3.8Å; L166-L404 HydrophobicContact CD2-CD1 4.45Å; L166-R408 HydrophobicContact CD2-CG 4.25Å; L166-L419 HydrophobicContact CD1-CB 4.28Å; L166-H456 PolarHBondContact N-O 2.83Å; L166-V457 HydrophobicContact CB-CG2 4.33Å; L166-V457 CarbonylContact O-C 3.22Å; L166-V457 WeakPolarHBondContact O-CA 3.4Å; L166-V457 WeakPolarHBondContact O-CG2 3.45Å; L166-Q458 PolarHBondContact O-N 2.93Å
167	Q	98.5	Very high	96	Very high	54 Å²	54	40.2 Å²	40.2	25%	0.252	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	118.3	172.6	-68.7	176.7	65.5	0	0	109.5	P165 F169 K417 V418 L419 Q458	P165-Q167 PolarHBondContact O-N 3.27Å; Q167-F169 HydrophobicContact CB-CE2 4.34Å; Q167-K417 PolarHBondContact N-O 3.31Å; Q167-V418 HydrophobicContact CB-CG2 4.44Å; Q167-V418 CarbonylContact O-C 3.55Å; Q167-V418 WeakPolarHBondContact O-CA 3.47Å; Q167-L419 PolarHBondContact O-N 2.67Å; Q167-Q458 CarbonylContact C-O 3.54Å; Q167-Q458 WeakPolarHBondContact CA-O 3.3Å
168	V	98.8	Very high	96.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	119.2	-178	-174.7	0	0	0	0	110.5	L166 V170 Y407 L419 V421 V457 Q458 A459 Q460	L166-V168 HydrophobicContact CD2-CG2 3.8Å; L166-V168 HydrophobicContact CG-CG2 3.8Å; V168-V170 HydrophobicContact CG1-CG2 4.21Å; V168-Y407 HydrophobicContact CB-CD2 4.4Å; V168-Y407 HydrophobicContact CG1-CD2 3.83Å; V168-Y407 HydrophobicContact CG1-CE2 3.76Å; V168-Y407 HydrophobicContact CG1-CG 4.24Å; V168-Y407 HydrophobicContact CG2-CD2 3.98Å; V168-Y407 HydrophobicContact CG2-CG 4.37Å; V168-L419 HydrophobicContact CG1-CD2 4.42Å; V168-L419 HydrophobicContact CG2-CB 4.39Å; V168-L419 HydrophobicContact CG2-CD2 4.28Å; V168-V421 HydrophobicContact CG1-CG2 3.8Å; V168-V457 HydrophobicContact CG2-CG2 3.97Å; V168-Q458 PolarHBondContact N-O 3.5Å; V168-A459 HydrophobicContact CB-CB 4.15Å; V168-A459 WeakPolarHBondContact O-CA 3.37Å; V168-Q460 PolarHBondContact O-N 2.83Å
169	F	98.9	Very high	96.7	Very high	8 Å²	8	29.9 Å²	29.9	4%	0.035	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	105.3	172.7	-67.4	-86.5	0	0	0	109.6	Q167 V171 V418 L419 V421 Q460 D466 A470	Q167-F169 HydrophobicContact CB-CE2 4.34Å; F169-V171 HydrophobicContact CB-CG2 4.49Å; F169-V418 HydrophobicContact CD2-CG1 3.95Å; F169-V418 HydrophobicContact CE2-CG1 3.81Å; F169-L419 PolarHBondContact N-O 2.91Å; F169-V421 PolarHBondContact O-N 2.93Å; F169-Q460 HydrophobicContact CD1-CG 4.14Å; F169-Q460 HydrophobicContact CE1-CG 4.2Å; F169-D466 HydrophobicContact CD1-CB 3.87Å; F169-D466 HydrophobicContact CE1-CB 3.75Å; F169-A470 HydrophobicContact CE2-CB 3.53Å; F169-A470 HydrophobicContact CZ-CB 3.67Å
170	V	98.9	Very high	97.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	120.7	171.1	-178.5	0	0	0	0	108.2	V168 P172 Y407 V421 L423 Y442 F446 Q460 F461 G462	V168-V170 HydrophobicContact CG1-CG2 4.21Å; V170-P172 VanDerWaalsContact O-CD 3.26Å; V170-P172 WeakPolarHBondContact O-CD 3.46Å; V170-Y407 WeakPolarHBondContact CG2-OH 3.43Å; V170-V421 CarbonylContact C-O 3.44Å; V170-V421 VanDerWaalsContact CA-O 3.25Å; V170-V421 WeakPolarHBondContact CA-O 3.39Å; V170-V421 HydrophobicContact CG2-CB 4.25Å; V170-V421 HydrophobicContact CG2-CG1 4.46Å; V170-L423 HydrophobicContact CG1-CB 3.7Å; V170-L423 HydrophobicContact CG1-CD2 3.83Å; V170-L423 HydrophobicContact CG1-CG 4.32Å; V170-Y442 HydrophobicContact CG1-CD1 4.38Å; V170-Y442 HydrophobicContact CG1-CE1 4.26Å; V170-F446 HydrophobicContact CB-CZ 3.8Å; V170-F446 HydrophobicContact CG1-CZ 4.37Å; V170-F446 HydrophobicContact CG2-CE1 3.79Å; V170-F446 HydrophobicContact CG2-CZ 3.55Å; V170-Q460 PolarHBondContact N-O 3.41Å; V170-F461 HydrophobicContact CB-CD1 4.38Å; V170-F461 HydrophobicContact CG1-CD1 4.36Å; V170-F461 HydrophobicContact CG1-CE1 4.42Å; V170-F461 CarbonylContact O-C 3.56Å; V170-F461 VanDerWaalsContact O-CA 3.28Å; V170-F461 WeakPolarHBondContact O-CA 3.2Å; V170-G462 PolarHBondContact O-N 3.48Å
171	V	98.9	Very high	97.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	95.5	-171	-177.5	0	0	0	0	110.5	F169 H173 I212 L420 V421 L423	F169-V171 HydrophobicContact CB-CG2 4.49Å; V171-H173 PolarHBondContact O-N 2.98Å; V171-I212 HydrophobicContact CG1-CB 4.46Å; V171-I212 HydrophobicContact CG1-CD1 3.76Å; V171-I212 HydrophobicContact CG1-CG1 3.96Å; V171-I212 HydrophobicContact CG1-CG2 3.66Å; V171-L420 HydrophobicContact CB-CD1 4.21Å; V171-L420 HydrophobicContact CG2-CD1 3.4Å; V171-V421 PolarHBondContact N-O 3.08Å; V171-L423 PolarHBondContact O-N 3.36Å
172	P	98.9	Very high	97.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	132.1	174.6	-27.1	38.1	0	0	0	112.7	V170 K210 F211 I212 L423 Y439 F461	V170-P172 VanDerWaalsContact O-CD 3.26Å; V170-P172 WeakPolarHBondContact O-CD 3.46Å; P172-K210 WeakPolarHBondContact CB-O 3.38Å; P172-K210 WeakPolarHBondContact CD-O 3.3Å; P172-K210 WeakPolarHBondContact CG-O 3.32Å; P172-F211 HydrophobicContact CB-CD2 3.56Å; P172-F211 HydrophobicContact CB-CE2 3.93Å; P172-F211 HydrophobicContact CB-CG 4.46Å; P172-F211 WeakPolarHBondContact O-CA 3.11Å; P172-I212 PolarHBondContact O-N 3.41Å; P172-L423 WeakPolarHBondContact CA-O 3.27Å; P172-L423 HydrophobicContact CG-CD2 4.44Å; P172-Y439 HydrophobicContact CG-CE1 4.21Å; P172-F461 HydrophobicContact CG-CD1 3.77Å; P172-F461 HydrophobicContact CG-CE1 4.15Å
173	H	98.9	Very high	97.8	Very high	3 Å²	3	25.2 Å²	25.2	1%	0.014	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-145.1	165.9	177.3	73	93.6	0	0	0	111.8	V171 F211 I212 W286 L423 G424 Y429	V171-H173 PolarHBondContact O-N 2.98Å; H173-F211 VanDerWaalsContact C-CZ 3.47Å; H173-I212 HydrophobicContact CB-CD1 3.89Å; H173-I212 HydrophobicContact CB-CG1 3.5Å; H173-I212 VanDerWaalsContact CB-CG1 3.5Å; H173-W286 AromaticContact CG-CZ2 3.97Å; H173-L423 PolarHBondContact N-O 3.28Å; H173-G424 PolarHBondContact CD2-N 3.11Å; H173-G424 VanDerWaalsContact NE2-CA 3.32Å; H173-G424 WeakPolarHBondContact NE2-CA 3.48Å; H173-G424 PolarHBondContact NE2-N 2.89Å; H173-G424 VanDerWaalsContact O-CA 3.29Å; H173-G424 WeakPolarHBondContact O-CA 3.43Å; H173-Y429 VanDerWaalsContact O-CE2 3.26Å; H173-Y429 WeakPolarHBondContact O-CE2 3.3Å
174	S	98.8	Very high	98.2	Very high	6 Å²	6	18.4 Å²	18.4	4%	0.042	9%	0.094	C	C	.	.			trans	-137.2	116.4	170.4	-174.7	0	0	0	0	108.7	N176 R428	S174-N176 VanDerWaalsContact C-ND2 3.28Å; S174-N176 WeakPolarHBondContact CB-ND2 3.13Å; S174-N176 PolarHBondContact O-N 2.85Å; S174-N176 PolarHBondContact O-ND2 2.8Å; S174-N176 PolarHBondContact OG-ND2 3.26Å; S174-R428 VanDerWaalsContact CB-O 3.31Å; S174-R428 WeakPolarHBondContact CB-O 3.38Å; S174-R428 PolarHBondContact OG-N 3.04Å; S174-R428 PolarHBondContact OG-O 2.83Å
175	H	98.8	Very high	98.5	Very high	3 Å²	3	17.2 Å²	17.2	1%	0.014	9%	0.09	C	C	.	.	B	Isolated β-bridge	trans	-78.6	118.9	176.4	-173.7	68.3	0	0	0	109.1	D177 D289 Y354 D425 D426 F427 H569	H175-D177 IonicContact CD2-OD1 2.7Å; H175-D177 IonicContact CD2-OD2 3.86Å; H175-D177 IonicContact CE1-OD1 3.87Å; H175-D177 IonicContact NE2-OD1 3.94Å; H175-D177 PolarHBondContact NE2-OD1 3.43Å; H175-D289 IonicContact CD2-OD2 3.56Å; H175-D289 WeakPolarHBondContact CE1-CB 3.38Å; H175-D289 IonicContact CE1-OD2 2.82Å; H175-D289 WeakPolarHBondContact NE2-CB 3.25Å; H175-D289 IonicContact NE2-OD2 3.37Å; H175-D289 PolarHBondContact NE2-OD2 3.18Å; H175-Y354 HydrophobicContact CB-CE2 4.23Å; H175-D425 PolarHBondContact N-O 2.95Å; H175-D426 IonicContact CD2-OD1 3.82Å; H175-D426 PolarHBondContact CD2-OD1 2.68Å; H175-D426 IonicContact CG-OD1 3.31Å; H175-F427 PolarHBondContact O-N 2.85Å; H175-H569 AromaticContact CE1-CE1 3.53Å; H175-H569 AromaticContact CE1-NE2 3.68Å; H175-H569 AromaticContact NE2-CE1 3.7Å; H175-H569 AromaticContact NE2-NE2 3.39Å; H175-H569 PolarHBondContact NE2-NE2 3.36Å
176	N	98.8	Very high	98.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.091	C	C	.	.			trans	-123.6	94.1	-172.3	-78.1	-113.6	0	0	0	110.1	S174 P178 T192 I195 W213 E215 F218 F427	S174-N176 VanDerWaalsContact C-ND2 3.28Å; S174-N176 WeakPolarHBondContact CB-ND2 3.13Å; S174-N176 PolarHBondContact O-N 2.85Å; S174-N176 PolarHBondContact O-ND2 2.8Å; S174-N176 PolarHBondContact OG-ND2 3.26Å; N176-P178 WeakPolarHBondContact O-CD 3.41Å; N176-T192 WeakPolarHBondContact OD1-CB 3.28Å; N176-T192 WeakPolarHBondContact OD1-CG2 3.22Å; N176-T192 PolarHBondContact OD1-OG1 3.15Å; N176-I195 WeakPolarHBondContact OD1-CD1 3.31Å; N176-W213 HydrophobicContact CB-CH2 4.01Å; N176-W213 HydrophobicContact CB-CZ2 4.46Å; N176-E215 WeakPolarHBondContact O-CG 3.41Å; N176-F218 HydrophobicContact CB-CD2 3.96Å; N176-F218 HydrophobicContact CB-CE2 4.07Å; N176-F218 WeakPolarHBondContact O-CE2 3.35Å; N176-F427 HydrophobicContact CB-CD1 4.42Å; N176-F427 HydrophobicContact CB-CE1 4.07Å; N176-F427 WeakPolarHBondContact OD1-CD1 3.36Å
177	D	98.8	Very high	98.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.093	C	C	.	.			trans	-62.7	119.6	178.5	-61.2	-54.9	0	0	0	112.4	H175 G179 W180 Y187 F218 F427 H568 H569	H175-D177 IonicContact CD2-OD1 2.7Å; H175-D177 IonicContact CD2-OD2 3.86Å; H175-D177 IonicContact CE1-OD1 3.87Å; H175-D177 IonicContact NE2-OD1 3.94Å; H175-D177 PolarHBondContact NE2-OD1 3.43Å; D177-G179 PolarHBondContact O-N 3.34Å; D177-W180 HydrophobicContact CB-CB 3.9Å; D177-Y187 WeakPolarHBondContact O-CD2 3.29Å; D177-F218 WeakPolarHBondContact O-CE2 3.49Å; D177-F427 HydrophobicContact CB-CE2 4.14Å; D177-F427 HydrophobicContact CB-CZ 4Å; D177-H568 IonicContact OD1-CE1 2.85Å; D177-H568 IonicContact OD1-NE2 2.64Å; D177-H568 PolarHBondContact OD1-NE2 2.66Å; D177-H569 IonicContact OD1-CE1 2.68Å; D177-H569 IonicContact OD1-NE2 2.8Å; D177-H569 PolarHBondContact OD1-NE2 2.94Å; D177-H569 VanDerWaalsContact OD1-NE2 3.07Å
178	P	98.4	Very high	98.7	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.006	8%	0.083	C	C	.	.	S	Bend	trans	-69.3	29.1	174.8	-22.5	38.3	0	0	0	114.9	N176 F184 E215 F218 V251 L565 H568 Y584	N176-P178 WeakPolarHBondContact O-CD 3.41Å; P178-F184 HydrophobicContact CB-CD2 3.84Å; P178-F184 HydrophobicContact CB-CE2 4.25Å; P178-F184 WeakPolarHBondContact O-CB 3.25Å; P178-E215 HydrophobicContact CG-CB 4.24Å; P178-E215 HydrophobicContact CG-CG 3.92Å; P178-F218 HydrophobicContact CB-CE2 4.15Å; P178-F218 HydrophobicContact CG-CD2 4.28Å; P178-F218 HydrophobicContact CG-CE2 4.04Å; P178-V251 HydrophobicContact CB-CG1 4.2Å; P178-V251 HydrophobicContact CG-CB 4.46Å; P178-V251 HydrophobicContact CG-CG1 3.98Å; P178-L565 HydrophobicContact CB-CD1 3.43Å; P178-L565 VanDerWaalsContact CB-CD1 3.43Å; P178-H568 VanDerWaalsContact CD-CD2 3.48Å; P178-H568 WeakPolarHBondContact CD-CD2 3.35Å; P178-Y584 PolarHBondContact O-OH 2.89Å
179	G	98.1	Very high	98.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	130.9	115.6	176.2	0	0	0	0	0	111.4	D177 K182 H568 Y584	D177-G179 PolarHBondContact O-N 3.34Å; G179-K182 VanDerWaalsContact CA-O 3.27Å; G179-K182 WeakPolarHBondContact CA-O 3.45Å; G179-H568 PolarHBondContact O-CE1 3.31Å; G179-H568 VanDerWaalsContact O-CE1 3.28Å; G179-H568 PolarHBondContact O-ND1 2.96Å; G179-Y584 VanDerWaalsContact C-OH 3.25Å; G179-Y584 WeakPolarHBondContact CA-OH 3.36Å; G179-Y584 PolarHBondContact N-OH 2.71Å; G179-Y584 PolarHBondContact O-OH 2.94Å
180	W	98.6	Very high	98.6	Very high	32 Å²	32	23.4 Å²	23.4	12%	0.121	12%	0.12	C	C	.	.	S	Bend	trans	-149.7	-81.6	-178.4	170	45.1	0	0	0	110.2	D177 K182 Y187 D570 A576 K577 V580 Y815	D177-W180 HydrophobicContact CB-CB 3.9Å; W180-K182 PolarHBondContact N-O 2.87Å; W180-Y187 HydrophobicContact CB-CE2 4.4Å; W180-D570 HydrophobicContact CB-CB 4.02Å; W180-D570 HydrophobicContact CG-CB 4.19Å; W180-A576 CarbonylContact O-C 3.55Å; W180-A576 WeakPolarHBondContact O-CA 3.27Å; W180-A576 WeakPolarHBondContact O-CB 3.42Å; W180-K577 PolarHBondContact O-N 2.99Å; W180-V580 WeakPolarHBondContact O-CG2 3.34Å; W180-Y815 PolarHBondContact NE1-OH 2.9Å
181	V	98.3	Very high	98.5	Very high	39 Å²	39	25.3 Å²	25.3	24%	0.236	13%	0.129	C	C	.	.	S	Bend	trans	-86.9	-27.5	172.9	177.8	0	0	0	0	111.5	Y187 K577	V181-Y187 WeakPolarHBondContact CB-OH 3.38Å; V181-Y187 PolarHBondContact N-OH 2.68Å; V181-K577 HydrophobicContact CG1-CD 3.94Å
182	K	98.6	Very high	98.5	Very high	51 Å²	51	25.3 Å²	25.3	22%	0.222	13%	0.129	C	C	.	.	S	Bend	trans	-120.9	161.8	171.1	-54.4	176.5	-175.4	178	0	109.5	G179 W180 K186 Y187 D190 V580	G179-K182 VanDerWaalsContact CA-O 3.27Å; G179-K182 WeakPolarHBondContact CA-O 3.45Å; W180-K182 PolarHBondContact N-O 2.87Å; K182-K186 HydrophobicContact CB-CB 4.15Å; K182-K186 HydrophobicContact CB-CD 4.21Å; K182-K186 HydrophobicContact CB-CG 4.18Å; K182-K186 HydrophobicContact CD-CD 4.26Å; K182-K186 HydrophobicContact CD-CG 4.11Å; K182-K186 HydrophobicContact CG-CD 4.29Å; K182-K186 HydrophobicContact CG-CG 4.49Å; K182-Y187 HydrophobicContact CB-CD1 4.04Å; K182-Y187 HydrophobicContact CB-CD2 3.7Å; K182-Y187 HydrophobicContact CB-CE1 3.98Å; K182-Y187 HydrophobicContact CB-CE2 3.62Å; K182-Y187 HydrophobicContact CB-CG 3.91Å; K182-Y187 HydrophobicContact CD-CD1 3.81Å; K182-Y187 HydrophobicContact CD-CE1 3.78Å; K182-Y187 HydrophobicContact CD-CG 4.39Å; K182-Y187 HydrophobicContact CG-CD1 4.29Å; K182-Y187 HydrophobicContact CG-CE1 3.96Å; K182-Y187 HydrophobicContact CG-CE2 4.38Å; K182-Y187 VanDerWaalsContact N-CE2 3.32Å; K182-Y187 PolarHBondContact N-OH 2.87Å; K182-Y187 VanDerWaalsContact O-CD2 3.31Å; K182-Y187 WeakPolarHBondContact O-CD2 3.43Å; K182-Y187 WeakPolarHBondContact O-CE2 3.47Å; K182-D190 IonicContact NZ-OD2 2.61Å; K182-D190 PolarHBondContact NZ-OD2 3.31Å; K182-V580 WeakPolarHBondContact O-CG2 3.45Å
183	T	98.8	Very high	98.5	Very high	28 Å²	28	27.8 Å²	27.8	17%	0.172	14%	0.14	C	C	.	.			trans	-68.6	160.1	173.1	60.7	0	0	0	0	110.3	D185 K186 Y187 V580 D583	T183-D185 VanDerWaalsContact C-N 3.33Å; T183-D185 PolarHBondContact O-N 3.47Å; T183-K186 PolarHBondContact O-N 2.81Å; T183-K186 VanDerWaalsContact O-N 3.11Å; T183-K186 VanDerWaalsContact OG1-CB 3.27Å; T183-K186 WeakPolarHBondContact OG1-CB 3.41Å; T183-K186 PolarHBondContact OG1-N 3.28Å; T183-Y187 PolarHBondContact O-N 2.77Å; T183-V580 HydrophobicContact CG2-CG2 4.28Å; T183-D583 HydrophobicContact CG2-CB 3.73Å
184	F	98.7	Very high	98.5	Very high	18 Å²	18	31 Å²	31	8%	0.079	16%	0.155	C	C	.	.	H	α-helix	trans	-46	-55.6	172.5	177.6	-109.6	0	0	0	111.8	P178 K186 Y187 F188 F218 K221 L565	P178-F184 HydrophobicContact CB-CD2 3.84Å; P178-F184 HydrophobicContact CB-CE2 4.25Å; P178-F184 WeakPolarHBondContact O-CB 3.25Å; F184-K186 VanDerWaalsContact C-N 3.29Å; F184-K186 PolarHBondContact O-N 3.49Å; F184-Y187 PolarHBondContact O-N 3.29Å; F184-F188 PolarHBondContact O-N 2.81Å; F184-F218 AromaticContact CD2-CD1 3.86Å; F184-F218 HydrophobicContact CD2-CD1 3.86Å; F184-F218 AromaticContact CD2-CE1 3.37Å; F184-F218 HydrophobicContact CD2-CE1 3.37Å; F184-F218 HydrophobicContact CD2-CE2 4.23Å; F184-F218 HydrophobicContact CD2-CG 4.45Å; F184-F218 AromaticContact CD2-CZ 3.59Å; F184-F218 HydrophobicContact CD2-CZ 3.59Å; F184-F218 AromaticContact CE2-CD1 3.34Å; F184-F218 HydrophobicContact CE2-CD1 3.34Å; F184-F218 HydrophobicContact CE2-CD2 4.21Å; F184-F218 AromaticContact CE2-CE1 3.4Å; F184-F218 HydrophobicContact CE2-CE1 3.4Å; F184-F218 HydrophobicContact CE2-CE2 4.27Å; F184-F218 AromaticContact CE2-CG 3.76Å; F184-F218 HydrophobicContact CE2-CG 3.76Å; F184-F218 AromaticContact CE2-CZ 3.89Å; F184-F218 HydrophobicContact CE2-CZ 3.89Å; F184-F218 HydrophobicContact CG-CE1 4.11Å; F184-F218 HydrophobicContact CG-CZ 4.49Å; F184-F218 AromaticContact CZ-CD1 3.89Å; F184-F218 HydrophobicContact CZ-CD1 3.89Å; F184-F218 HydrophobicContact CZ-CE1 4.18Å; F184-F218 HydrophobicContact CZ-CG 4.48Å; F184-F218 VanDerWaalsContact O-CE1 3.32Å; F184-F218 WeakPolarHBondContact O-CE1 3.11Å; F184-K221 HydrophobicContact CD1-CD 4.33Å; F184-K221 HydrophobicContact CE1-CB 4.47Å; F184-K221 HydrophobicContact CE1-CD 3.58Å; F184-K221 HydrophobicContact CZ-CB 4.24Å; F184-K221 HydrophobicContact CZ-CD 3.99Å; F184-L565 HydrophobicContact CB-CD2 4.41Å; F184-L565 HydrophobicContact CD2-CD1 3.91Å; F184-L565 HydrophobicContact CE2-CD1 4.23Å; F184-L565 HydrophobicContact CG-CD1 4.36Å; F184-L565 HydrophobicContact CG-CD2 4.41Å
185	D	98.6	Very high	98.5	Very high	55 Å²	55	30.8 Å²	30.8	29%	0.294	15%	0.153	S	C	.	.	H	α-helix	trans	-64.8	-32.1	-177.3	-64.7	-55.4	0	0	0	113.2	T183 T189 K221 K587	T183-D185 VanDerWaalsContact C-N 3.33Å; T183-D185 PolarHBondContact O-N 3.47Å; D185-T189 PolarHBondContact O-N 3.08Å; D185-T189 VanDerWaalsContact O-N 3.13Å; D185-T189 PolarHBondContact O-OG1 2.99Å; D185-K221 VanDerWaalsContact OD1-CE 3.25Å; D185-K221 WeakPolarHBondContact OD1-CE 3.16Å; D185-K221 IonicContact OD1-NZ 3.25Å; D185-K221 PolarHBondContact OD1-NZ 2.95Å; D185-K587 IonicContact OD2-NZ 3.26Å; D185-K587 PolarHBondContact OD2-NZ 3.39Å
186	K	98.5	Very high	98.5	Very high	98 Å²	98	30.6 Å²	30.6	43%	0.426	15%	0.153	S	C	.	.	H	α-helix	trans	-75.2	-41.4	178.2	-173.4	172.6	176.2	44.2	0	111.9	K182 T183 F184 F188 T189 D190	K182-K186 HydrophobicContact CB-CB 4.15Å; K182-K186 HydrophobicContact CB-CD 4.21Å; K182-K186 HydrophobicContact CB-CG 4.18Å; K182-K186 HydrophobicContact CD-CD 4.26Å; K182-K186 HydrophobicContact CD-CG 4.11Å; K182-K186 HydrophobicContact CG-CD 4.29Å; K182-K186 HydrophobicContact CG-CG 4.49Å; T183-K186 PolarHBondContact O-N 2.81Å; T183-K186 VanDerWaalsContact O-N 3.11Å; T183-K186 VanDerWaalsContact OG1-CB 3.27Å; T183-K186 WeakPolarHBondContact OG1-CB 3.41Å; T183-K186 PolarHBondContact OG1-N 3.28Å; F184-K186 VanDerWaalsContact C-N 3.29Å; F184-K186 PolarHBondContact O-N 3.49Å; K186-F188 VanDerWaalsContact C-N 3.3Å; K186-T189 PolarHBondContact O-N 3.29Å; K186-D190 WeakPolarHBondContact CE-OD2 3.43Å; K186-D190 IonicContact NZ-OD1 2.92Å; K186-D190 PolarHBondContact NZ-OD1 2.64Å; K186-D190 IonicContact NZ-OD2 2.63Å; K186-D190 PolarHBondContact NZ-OD2 3.12Å; K186-D190 VanDerWaalsContact O-CB 3.25Å; K186-D190 WeakPolarHBondContact O-CB 3.29Å; K186-D190 VanDerWaalsContact O-CG 3.24Å; K186-D190 PolarHBondContact O-N 3.49Å
187	Y	98.7	Very high	98.4	Very high	9 Å²	9	32.8 Å²	32.8	4%	0.035	16%	0.164	C	C	.	.	H	α-helix	trans	-60.7	-42.4	171.2	-85	-57.5	0	0	0	111.6	D177 W180 V181 K182 T183 F184 T189 D190 Q191 T192 F427	D177-Y187 WeakPolarHBondContact O-CD2 3.29Å; W180-Y187 HydrophobicContact CB-CE2 4.4Å; V181-Y187 WeakPolarHBondContact CB-OH 3.38Å; V181-Y187 PolarHBondContact N-OH 2.68Å; K182-Y187 HydrophobicContact CB-CD1 4.04Å; K182-Y187 HydrophobicContact CB-CD2 3.7Å; K182-Y187 HydrophobicContact CB-CE1 3.98Å; K182-Y187 HydrophobicContact CB-CE2 3.62Å; K182-Y187 HydrophobicContact CB-CG 3.91Å; K182-Y187 HydrophobicContact CD-CD1 3.81Å; K182-Y187 HydrophobicContact CD-CE1 3.78Å; K182-Y187 HydrophobicContact CD-CG 4.39Å; K182-Y187 HydrophobicContact CG-CD1 4.29Å; K182-Y187 HydrophobicContact CG-CE1 3.96Å; K182-Y187 HydrophobicContact CG-CE2 4.38Å; K182-Y187 VanDerWaalsContact N-CE2 3.32Å; K182-Y187 PolarHBondContact N-OH 2.87Å; K182-Y187 VanDerWaalsContact O-CD2 3.31Å; K182-Y187 WeakPolarHBondContact O-CD2 3.43Å; K182-Y187 WeakPolarHBondContact O-CE2 3.47Å; T183-Y187 PolarHBondContact O-N 2.77Å; F184-Y187 PolarHBondContact O-N 3.29Å; Y187-T189 PolarHBondContact O-N 2.85Å; Y187-D190 PolarHBondContact O-N 2.66Å; Y187-Q191 PolarHBondContact O-N 3.09Å; Y187-T192 PolarHBondContact O-N 2.8Å; Y187-F427 HydrophobicContact CD1-CD1 4.05Å; Y187-F427 HydrophobicContact CD1-CD2 4.43Å; Y187-F427 AromaticContact CD1-CE1 3.4Å; Y187-F427 HydrophobicContact CD1-CE1 3.4Å; Y187-F427 AromaticContact CD1-CE2 3.86Å; Y187-F427 HydrophobicContact CD1-CE2 3.86Å; Y187-F427 AromaticContact CD1-CZ 3.27Å; Y187-F427 HydrophobicContact CD1-CZ 3.27Å; Y187-F427 HydrophobicContact CD2-CE1 4.44Å; Y187-F427 AromaticContact CD2-CZ 3.9Å; Y187-F427 HydrophobicContact CD2-CZ 3.9Å; Y187-F427 HydrophobicContact CE1-CD1 4.49Å; Y187-F427 HydrophobicContact CE1-CD2 4.07Å; Y187-F427 AromaticContact CE1-CE1 3.93Å; Y187-F427 HydrophobicContact CE1-CE1 3.93Å; Y187-F427 AromaticContact CE1-CE2 3.47Å; Y187-F427 HydrophobicContact CE1-CE2 3.47Å; Y187-F427 VanDerWaalsContact CE1-CE2 3.47Å; Y187-F427 AromaticContact CE1-CZ 3.37Å; Y187-F427 HydrophobicContact CE1-CZ 3.37Å; Y187-F427 HydrophobicContact CE2-CE2 4.4Å; Y187-F427 AromaticContact CE2-CZ 3.97Å; Y187-F427 HydrophobicContact CE2-CZ 3.97Å; Y187-F427 AromaticContact CG-CE1 3.7Å; Y187-F427 HydrophobicContact CG-CE1 3.7Å; Y187-F427 HydrophobicContact CG-CE2 4.48Å; Y187-F427 AromaticContact CG-CZ 3.56Å; Y187-F427 HydrophobicContact CG-CZ 3.56Å; Y187-F427 AromaticContact CZ-CE2 3.77Å; Y187-F427 AromaticContact CZ-CZ 3.72Å
188	F	98.7	Very high	98.4	Very high	10 Å²	10	34.3 Å²	34.3	4%	0.044	17%	0.172	C	C	.	.	I	π-helix	trans	-53.9	-53.2	176.1	-180	-104.1	0	0	0	112	F184 K186 T192 Q193 F218 K221 W222	F184-F188 PolarHBondContact O-N 2.81Å; K186-F188 VanDerWaalsContact C-N 3.3Å; F188-T192 PolarHBondContact O-N 3.36Å; F188-Q193 HydrophobicContact CD2-CB 4.35Å; F188-Q193 HydrophobicContact CE1-CB 4.23Å; F188-Q193 HydrophobicContact CE1-CG 4.39Å; F188-Q193 HydrophobicContact CE2-CB 4.05Å; F188-Q193 HydrophobicContact CE2-CG 4.45Å; F188-Q193 HydrophobicContact CZ-CB 3.99Å; F188-Q193 HydrophobicContact CZ-CG 4.03Å; F188-Q193 WeakPolarHBondContact O-CB 3.39Å; F188-Q193 PolarHBondContact O-N 3.2Å; F188-F218 HydrophobicContact CB-CD1 4.12Å; F188-F218 HydrophobicContact CB-CE1 3.9Å; F188-F218 HydrophobicContact CD2-CD1 4.1Å; F188-K221 HydrophobicContact CB-CD 3.96Å; F188-K221 HydrophobicContact CD1-CD 3.74Å; F188-K221 HydrophobicContact CD1-CG 4.27Å; F188-K221 HydrophobicContact CD2-CB 4.35Å; F188-K221 HydrophobicContact CD2-CD 3.76Å; F188-K221 HydrophobicContact CD2-CG 4.09Å; F188-K221 HydrophobicContact CE1-CD 4.13Å; F188-K221 HydrophobicContact CE1-CG 4.14Å; F188-K221 HydrophobicContact CE2-CB 4.16Å; F188-K221 HydrophobicContact CE2-CD 4.14Å; F188-K221 HydrophobicContact CE2-CG 3.95Å; F188-K221 HydrophobicContact CG-CD 3.53Å; F188-K221 HydrophobicContact CG-CG 4.23Å; F188-K221 HydrophobicContact CZ-CD 4.31Å; F188-K221 HydrophobicContact CZ-CG 3.97Å; F188-W222 HydrophobicContact CE2-CB 3.87Å; F188-W222 HydrophobicContact CZ-CB 4.37Å
189	T	98.1	Very high	98.4	Very high	83 Å²	83	34.2 Å²	34.2	51%	0.509	17%	0.172	S	C	.	.	I	π-helix	trans	-71.4	-41.1	-175.7	-50.9	0	0	0	0	112.4	D185 K186 Y187	D185-T189 PolarHBondContact O-N 3.08Å; D185-T189 VanDerWaalsContact O-N 3.13Å; D185-T189 PolarHBondContact O-OG1 2.99Å; K186-T189 PolarHBondContact O-N 3.29Å; Y187-T189 PolarHBondContact O-N 2.85Å
190	D	97.8	Very high	98.4	Very high	56 Å²	56	34.9 Å²	34.9	30%	0.299	18%	0.176	S	C	.	.	I	π-helix	trans	-78.4	-30.3	-174.7	-70	-2.9	0	0	0	112.7	K182 K186 Y187 H194	K182-D190 IonicContact NZ-OD2 2.61Å; K182-D190 PolarHBondContact NZ-OD2 3.31Å; K186-D190 WeakPolarHBondContact CE-OD2 3.43Å; K186-D190 IonicContact NZ-OD1 2.92Å; K186-D190 PolarHBondContact NZ-OD1 2.64Å; K186-D190 IonicContact NZ-OD2 2.63Å; K186-D190 PolarHBondContact NZ-OD2 3.12Å; K186-D190 VanDerWaalsContact O-CB 3.25Å; K186-D190 WeakPolarHBondContact O-CB 3.29Å; K186-D190 VanDerWaalsContact O-CG 3.24Å; K186-D190 PolarHBondContact O-N 3.49Å; Y187-D190 PolarHBondContact O-N 2.66Å; D190-H194 PolarHBondContact O-CD2 3.41Å
191	Q	97.8	Very high	98.4	Very high	40 Å²	40	37.4 Å²	37.4	19%	0.187	20%	0.195	C	C	.	.	I	π-helix	trans	-142.4	-61.4	-165.2	-69.3	169.9	-93.5	0	0	113.4	Y187 Q193 H194 I195 F427	Y187-Q191 PolarHBondContact O-N 3.09Å; Q191-Q193 PolarHBondContact O-N 2.92Å; Q191-H194 WeakPolarHBondContact O-CA 3.36Å; Q191-H194 WeakPolarHBondContact O-CB 3.36Å; Q191-H194 PolarHBondContact O-N 3.03Å; Q191-I195 PolarHBondContact O-N 2.91Å; Q191-I195 VanDerWaalsContact O-N 3.11Å; Q191-F427 HydrophobicContact CB-CD1 4.07Å; Q191-F427 VanDerWaalsContact NE2-CB 3.31Å
192	T	98.6	Very high	98.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.187	C	C	.	.	I	π-helix	trans	-64.2	-37.8	-166.3	-54.1	0	0	0	0	113.9	N176 Y187 F188 H194 I195 L196 W213 F218	N176-T192 WeakPolarHBondContact OD1-CB 3.28Å; N176-T192 WeakPolarHBondContact OD1-CG2 3.22Å; N176-T192 PolarHBondContact OD1-OG1 3.15Å; Y187-T192 PolarHBondContact O-N 2.8Å; F188-T192 PolarHBondContact O-N 3.36Å; T192-H194 PolarHBondContact O-N 3.5Å; T192-I195 WeakPolarHBondContact O-CB 3.49Å; T192-I195 PolarHBondContact O-N 3.32Å; T192-L196 HydrophobicContact CG2-CD1 4.1Å; T192-L196 PolarHBondContact O-N 3.04Å; T192-W213 HydrophobicContact CG2-CH2 3.6Å; T192-W213 HydrophobicContact CG2-CZ2 4Å; T192-F218 HydrophobicContact CG2-CB 3.75Å; T192-F218 HydrophobicContact CG2-CD1 3.95Å; T192-F218 HydrophobicContact CG2-CD2 4.15Å; T192-F218 HydrophobicContact CG2-CG 3.71Å
193	Q	98.2	Very high	98.4	Very high	52 Å²	52	34 Å²	34	24%	0.243	18%	0.177	C	C	.	.	H	α-helix	trans	-61	-36.4	174.8	-172.8	-176.5	46.2	0	0	111.6	F188 Q191 N197	F188-Q193 HydrophobicContact CD2-CB 4.35Å; F188-Q193 HydrophobicContact CE1-CB 4.23Å; F188-Q193 HydrophobicContact CE1-CG 4.39Å; F188-Q193 HydrophobicContact CE2-CB 4.05Å; F188-Q193 HydrophobicContact CE2-CG 4.45Å; F188-Q193 HydrophobicContact CZ-CB 3.99Å; F188-Q193 HydrophobicContact CZ-CG 4.03Å; F188-Q193 WeakPolarHBondContact O-CB 3.39Å; F188-Q193 PolarHBondContact O-N 3.2Å; Q191-Q193 PolarHBondContact O-N 2.92Å; Q193-N197 WeakPolarHBondContact O-CB 3.27Å; Q193-N197 PolarHBondContact O-N 3.45Å; Q193-N197 PolarHBondContact O-ND2 3Å
194	H	98.4	Very high	98.3	Very high	71 Å²	71	36.1 Å²	36.1	33%	0.329	20%	0.197	S	C	.	.	H	α-helix	trans	-69.8	-39	177	-56.6	-51	0	0	0	111.9	D190 Q191 T192 N197 N198 D430	D190-H194 PolarHBondContact O-CD2 3.41Å; Q191-H194 WeakPolarHBondContact O-CA 3.36Å; Q191-H194 WeakPolarHBondContact O-CB 3.36Å; Q191-H194 PolarHBondContact O-N 3.03Å; T192-H194 PolarHBondContact O-N 3.5Å; H194-N197 PolarHBondContact O-N 3.39Å; H194-N198 WeakPolarHBondContact O-CB 3.25Å; H194-N198 PolarHBondContact O-N 3.16Å; H194-N198 PolarHBondContact O-ND2 2.96Å; H194-N198 VanDerWaalsContact O-ND2 3.09Å; H194-D430 WeakPolarHBondContact CB-O 3.45Å
195	I	98.8	Very high	98.3	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-57.9	-51.8	175.2	-62.3	167	0	0	0	109.9	N176 Q191 T192 N198 M199 W213 F427 R428 D430	N176-I195 WeakPolarHBondContact OD1-CD1 3.31Å; Q191-I195 PolarHBondContact O-N 2.91Å; Q191-I195 VanDerWaalsContact O-N 3.11Å; T192-I195 WeakPolarHBondContact O-CB 3.49Å; T192-I195 PolarHBondContact O-N 3.32Å; I195-N198 PolarHBondContact O-N 2.89Å; I195-M199 HydrophobicContact CG2-CE 4.46Å; I195-M199 WeakPolarHBondContact O-CB 3.33Å; I195-M199 PolarHBondContact O-N 2.84Å; I195-W213 HydrophobicContact CG2-CZ3 4.07Å; I195-F427 HydrophobicContact CD1-CB 4.37Å; I195-R428 VanDerWaalsContact CD1-O 3.24Å; I195-R428 WeakPolarHBondContact CD1-O 3.48Å; I195-R428 WeakPolarHBondContact CG1-O 3.41Å; I195-D430 HydrophobicContact CD1-CB 4.33Å; I195-D430 HydrophobicContact CG1-CB 3.8Å
196	L	98.7	Very high	98.3	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-66.9	-39.4	-179	-68.6	167.3	0	0	0	112.6	T192 M199 V200 W213 F219 W222 M234	T192-L196 HydrophobicContact CG2-CD1 4.1Å; T192-L196 PolarHBondContact O-N 3.04Å; L196-M199 HydrophobicContact CD2-CE 4.01Å; L196-M199 HydrophobicContact CD2-SD 4.28Å; L196-M199 WeakPolarHBondContact O-CB 3.48Å; L196-M199 PolarHBondContact O-N 2.78Å; L196-V200 PolarHBondContact O-N 3.19Å; L196-W213 HydrophobicContact CD1-CH2 4.39Å; L196-W213 HydrophobicContact CD1-CZ2 4.26Å; L196-W213 HydrophobicContact CD2-CD2 4.1Å; L196-W213 HydrophobicContact CD2-CE3 4.04Å; L196-W213 HydrophobicContact CD2-CH2 4.14Å; L196-W213 HydrophobicContact CD2-CZ2 4.19Å; L196-W213 HydrophobicContact CD2-CZ3 4.06Å; L196-W213 HydrophobicContact CG-CH2 4.2Å; L196-W213 HydrophobicContact CG-CZ2 4.44Å; L196-W213 HydrophobicContact CG-CZ3 4.41Å; L196-F219 HydrophobicContact CD2-CD2 3.89Å; L196-F219 HydrophobicContact CD2-CE2 4.25Å; L196-W222 HydrophobicContact CB-CD2 4.02Å; L196-W222 HydrophobicContact CB-CG 3.83Å; L196-W222 HydrophobicContact CD1-CB 3.39Å; L196-W222 HydrophobicContact CD1-CD2 4.26Å; L196-W222 HydrophobicContact CD1-CG 3.58Å; L196-W222 HydrophobicContact CG-CG 4.32Å; L196-M234 HydrophobicContact CD2-CE 4.25Å
197	N	98.3	Very high	98.2	Very high	45 Å²	45	38.8 Å²	38.8	24%	0.241	22%	0.22	C	C	.	.	H	α-helix	trans	-62.6	-45.4	174.3	-75.1	-19.8	0	0	0	112	Q193 H194 M199 V200 V201 W222	Q193-N197 WeakPolarHBondContact O-CB 3.27Å; Q193-N197 PolarHBondContact O-N 3.45Å; Q193-N197 PolarHBondContact O-ND2 3Å; H194-N197 PolarHBondContact O-N 3.39Å; N197-M199 VanDerWaalsContact C-N 3.31Å; N197-V200 PolarHBondContact O-N 2.76Å; N197-V201 PolarHBondContact O-N 3.45Å; N197-W222 PolarHBondContact OD1-NE1 2.85Å
198	N	98.6	Very high	98.1	Very high	32 Å²	32	43.7 Å²	43.7	17%	0.171	24%	0.239	C	C	.	.	H	α-helix	trans	-66.4	-36.6	177.4	-68.2	-31.8	0	0	0	111	H194 I195 V200 V201 K202 D430 A432	H194-N198 WeakPolarHBondContact O-CB 3.25Å; H194-N198 PolarHBondContact O-N 3.16Å; H194-N198 PolarHBondContact O-ND2 2.96Å; H194-N198 VanDerWaalsContact O-ND2 3.09Å; I195-N198 PolarHBondContact O-N 2.89Å; N198-V200 VanDerWaalsContact C-N 3.35Å; N198-V200 PolarHBondContact O-N 2.91Å; N198-V201 PolarHBondContact O-N 2.9Å; N198-K202 WeakPolarHBondContact O-CB 3.33Å; N198-K202 VanDerWaalsContact O-CG 3.29Å; N198-K202 WeakPolarHBondContact O-CG 3.34Å; N198-K202 PolarHBondContact O-N 2.83Å; N198-D430 PolarHBondContact ND2-O 2.92Å; N198-D430 VanDerWaalsContact ND2-O 3.09Å; N198-A432 PolarHBondContact ND2-N 2.86Å
199	M	98.4	Very high	98.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-56.9	-45.8	177.3	-176.9	-173.7	-59	0	0	112.1	I195 L196 N197 V201 L203 F211 W213 M234 L243 W435	I195-M199 HydrophobicContact CG2-CE 4.46Å; I195-M199 WeakPolarHBondContact O-CB 3.33Å; I195-M199 PolarHBondContact O-N 2.84Å; L196-M199 HydrophobicContact CD2-CE 4.01Å; L196-M199 HydrophobicContact CD2-SD 4.28Å; L196-M199 WeakPolarHBondContact O-CB 3.48Å; L196-M199 PolarHBondContact O-N 2.78Å; N197-M199 VanDerWaalsContact C-N 3.31Å; M199-V201 VanDerWaalsContact C-N 3.31Å; M199-V201 PolarHBondContact O-N 2.59Å; M199-L203 HydrophobicContact CG-CD1 3.59Å; M199-L203 HydrophobicContact CG-CG 4.18Å; M199-L203 WeakPolarHBondContact O-CB 3.17Å; M199-L203 WeakPolarHBondContact O-CG 3.36Å; M199-L203 PolarHBondContact O-N 3.47Å; M199-F211 HydrophobicContact CE-CD1 3.41Å; M199-F211 VanDerWaalsContact CE-CD1 3.41Å; M199-F211 HydrophobicContact CE-CE1 3.42Å; M199-F211 VanDerWaalsContact CE-CE1 3.42Å; M199-F211 HydrophobicContact CE-CG 4.29Å; M199-F211 HydrophobicContact CE-CZ 4.28Å; M199-F211 HydrophobicContact SD-CD1 4.23Å; M199-W213 HydrophobicContact CE-CE3 3.77Å; M199-W213 HydrophobicContact CE-CZ3 4.28Å; M199-M234 HydrophobicContact SD-CE 4.07Å; M199-M234 HydrophobicContact SD-SD 4.34Å; M199-L243 HydrophobicContact CE-CD1 4.47Å; M199-L243 HydrophobicContact SD-CD1 3.65Å; M199-L243 HydrophobicContact SD-CD2 3.54Å; M199-L243 VanDerWaalsContact SD-CD2 3.54Å; M199-L243 HydrophobicContact SD-CG 4.23Å; M199-W435 HydrophobicContact CB-CH2 3.75Å; M199-W435 HydrophobicContact CB-CZ2 3.77Å; M199-W435 HydrophobicContact CG-CH2 3.89Å; M199-W435 HydrophobicContact CG-CZ2 4.39Å
200	V	98.1	Very high	98.1	Very high	14 Å²	14	42 Å²	42	9%	0.085	22%	0.224	C	C	.	.	H	α-helix	trans	-58.2	-44	177.2	175.2	0	0	0	0	111.5	L196 N197 N198 W222 A233 M234	L196-V200 PolarHBondContact O-N 3.19Å; N197-V200 PolarHBondContact O-N 2.76Å; N198-V200 VanDerWaalsContact C-N 3.35Å; N198-V200 PolarHBondContact O-N 2.91Å; V200-W222 HydrophobicContact CG2-CH2 3.81Å; V200-W222 HydrophobicContact CG2-CZ2 3.87Å; V200-A233 HydrophobicContact CG1-CB 3.68Å; V200-M234 HydrophobicContact CG2-CB 4.19Å; V200-M234 HydrophobicContact CG2-CE 3.5Å; V200-M234 HydrophobicContact CG2-SD 4.19Å
201	V	98.1	Very high	98.2	Very high	85 Å²	85	39.3 Å²	39.3	52%	0.515	21%	0.21	S	C	.	.	H	α-helix	trans	-75.3	-51.5	-177.4	178.4	0	0	0	0	110.8	N197 N198 M199 A204 E205	N197-V201 PolarHBondContact O-N 3.45Å; N198-V201 PolarHBondContact O-N 2.9Å; M199-V201 VanDerWaalsContact C-N 3.31Å; M199-V201 PolarHBondContact O-N 2.59Å; V201-A204 PolarHBondContact O-N 2.82Å; V201-E205 PolarHBondContact O-N 2.91Å
202	K	98.4	Very high	98.3	Very high	19 Å²	19	37.6 Å²	37.6	8%	0.083	20%	0.201	C	C	.	.	H	α-helix	trans	-74.9	-31.4	-168.5	-66.9	-63.6	-173.2	-176.2	0	113.1	N198 A204 E205 R209 W435 D436	N198-K202 WeakPolarHBondContact O-CB 3.33Å; N198-K202 VanDerWaalsContact O-CG 3.29Å; N198-K202 WeakPolarHBondContact O-CG 3.34Å; N198-K202 PolarHBondContact O-N 2.83Å; K202-A204 VanDerWaalsContact C-N 3.33Å; K202-E205 WeakPolarHBondContact CD-OE1 3.48Å; K202-E205 VanDerWaalsContact CD-OE2 3.25Å; K202-E205 WeakPolarHBondContact CD-OE2 3.41Å; K202-E205 IonicContact NZ-OE1 3.17Å; K202-E205 PolarHBondContact NZ-OE1 2.78Å; K202-E205 IonicContact NZ-OE2 2.71Å; K202-E205 PolarHBondContact NZ-OE2 3.09Å; K202-R209 WeakPolarHBondContact O-CD 3.3Å; K202-R209 PolarHBondContact O-NH1 2.88Å; K202-W435 HydrophobicContact CB-CB 4.01Å; K202-W435 HydrophobicContact CB-CD2 3.59Å; K202-W435 HydrophobicContact CB-CE3 3.45Å; K202-W435 VanDerWaalsContact CB-CE3 3.45Å; K202-W435 HydrophobicContact CB-CG 3.86Å; K202-W435 HydrophobicContact CB-CZ3 4.22Å; K202-W435 HydrophobicContact CD-CB 4.03Å; K202-W435 HydrophobicContact CG-CB 3.66Å; K202-W435 HydrophobicContact CG-CD2 3.89Å; K202-W435 HydrophobicContact CG-CE3 4.26Å; K202-W435 HydrophobicContact CG-CG 3.62Å; K202-D436 WeakPolarHBondContact CE-OD1 3.32Å; K202-D436 IonicContact NZ-OD1 3.36Å; K202-D436 PolarHBondContact NZ-OD1 2.99Å; K202-D436 IonicContact NZ-OD2 2.66Å; K202-D436 PolarHBondContact NZ-OD2 3.49Å
203	L	98.4	Very high	98.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-70.5	-32.7	172.7	-66.3	-179.2	0	0	0	112	M199 E205 R209 F211 L237 Q242 L243 W435	M199-L203 HydrophobicContact CG-CD1 3.59Å; M199-L203 HydrophobicContact CG-CG 4.18Å; M199-L203 WeakPolarHBondContact O-CB 3.17Å; M199-L203 WeakPolarHBondContact O-CG 3.36Å; M199-L203 PolarHBondContact O-N 3.47Å; L203-E205 VanDerWaalsContact C-N 3.28Å; L203-E205 PolarHBondContact O-N 2.91Å; L203-R209 HydrophobicContact CD2-CB 3.69Å; L203-F211 HydrophobicContact CD1-CB 3.93Å; L203-F211 HydrophobicContact CD2-CB 4.21Å; L203-L237 HydrophobicContact CB-CD1 3.92Å; L203-L237 HydrophobicContact CB-CD2 3.67Å; L203-L237 HydrophobicContact CB-CG 4.39Å; L203-L237 HydrophobicContact CD1-CD1 4.33Å; L203-Q242 PolarHBondContact O-NE2 2.96Å; L203-L243 HydrophobicContact CD1-CB 4.18Å; L203-W435 HydrophobicContact CD2-CZ3 3.87Å; L203-W435 HydrophobicContact CG-CZ3 4.07Å
204	A	97.6	Very high	98.2	Very high	71 Å²	71	35.5 Å²	35.5	59%	0.587	19%	0.192	S	C	*	.	H	α-helix	trans	-71	-19.7	-179.8	0	0	0	0	0	114.1	V201 K202 D206	V201-A204 PolarHBondContact O-N 2.82Å; K202-A204 VanDerWaalsContact C-N 3.33Å; A204-D206 VanDerWaalsContact C-N 3.32Å; A204-D206 PolarHBondContact O-N 2.59Å
205	E	97.9	Very high	98.2	Very high	101 Å²	101	32.2 Å²	32.2	47%	0.472	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-26.5	-180	-71.6	172.7	175.2	0	0	113.5	V201 K202 L203 R209	V201-E205 PolarHBondContact O-N 2.91Å; K202-E205 WeakPolarHBondContact CD-OE1 3.48Å; K202-E205 VanDerWaalsContact CD-OE2 3.25Å; K202-E205 WeakPolarHBondContact CD-OE2 3.41Å; K202-E205 IonicContact NZ-OE1 3.17Å; K202-E205 PolarHBondContact NZ-OE1 2.78Å; K202-E205 IonicContact NZ-OE2 2.71Å; K202-E205 PolarHBondContact NZ-OE2 3.09Å; L203-E205 VanDerWaalsContact C-N 3.28Å; L203-E205 PolarHBondContact O-N 2.91Å; E205-R209 IonicContact OE2-CZ 3.78Å; E205-R209 IonicContact OE2-NH1 2.72Å; E205-R209 PolarHBondContact OE2-NH1 2.8Å; E205-R209 IonicContact OE2-NH2 3.4Å
206	D	97.4	Very high	98.2	Very high	34 Å²	34	32.2 Å²	32.2	18%	0.182	18%	0.177	C	C	.	.			trans	-152.1	118.1	178.9	-179	-14	0	0	0	110.3	A204 R208 R209 Q242	A204-D206 VanDerWaalsContact C-N 3.32Å; A204-D206 PolarHBondContact O-N 2.59Å; D206-R208 PolarHBondContact O-N 3.25Å; D206-R208 VanDerWaalsContact OD1-CB 3.32Å; D206-R208 WeakPolarHBondContact OD1-CB 3.28Å; D206-R208 WeakPolarHBondContact OD1-CG 3.37Å; D206-R208 PolarHBondContact OD1-N 3.3Å; D206-R208 IonicContact OD1-NE 3.74Å; D206-R208 PolarHBondContact OD1-NE 3.46Å; D206-R208 VanDerWaalsContact OD1-NE 3.17Å; D206-R208 IonicContact OD2-CZ 3.52Å; D206-R208 IonicContact OD2-NE 3.73Å; D206-R208 PolarHBondContact OD2-NE 2.88Å; D206-R208 VanDerWaalsContact OD2-NE 3.14Å; D206-R208 IonicContact OD2-NH2 2.57Å; D206-R208 PolarHBondContact OD2-NH2 2.76Å; D206-R209 HydrophobicContact CB-CG 3.96Å; D206-R209 WeakPolarHBondContact O-CB 3.15Å; D206-R209 WeakPolarHBondContact O-CG 3.42Å; D206-R209 PolarHBondContact O-N 3.41Å; D206-Q242 PolarHBondContact O-NE2 3.17Å
207	S	97	Very high	98.2	Very high	92 Å²	92	32.2 Å²	32.2	64%	0.643	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-18.8	-178.7	61.9	0	0	0	0	114.9	R209	S207-R209 VanDerWaalsContact C-N 3.32Å
208	R	97.4	Very high	98.3	Very high	113 Å²	113	30.1 Å²	30.1	43%	0.426	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-18.5	176.6	-61.4	175.8	-66.7	175.9	1.6	112.8	D206 D447	D206-R208 PolarHBondContact O-N 3.25Å; D206-R208 VanDerWaalsContact OD1-CB 3.32Å; D206-R208 WeakPolarHBondContact OD1-CB 3.28Å; D206-R208 WeakPolarHBondContact OD1-CG 3.37Å; D206-R208 PolarHBondContact OD1-N 3.3Å; D206-R208 IonicContact OD1-NE 3.74Å; D206-R208 PolarHBondContact OD1-NE 3.46Å; D206-R208 VanDerWaalsContact OD1-NE 3.17Å; D206-R208 IonicContact OD2-CZ 3.52Å; D206-R208 IonicContact OD2-NE 3.73Å; D206-R208 PolarHBondContact OD2-NE 2.88Å; D206-R208 VanDerWaalsContact OD2-NE 3.14Å; D206-R208 IonicContact OD2-NH2 2.57Å; D206-R208 PolarHBondContact OD2-NH2 2.76Å; R208-D447 IonicContact NH1-OD1 3.48Å; R208-D447 PolarHBondContact NH1-OD1 3.32Å; R208-D447 IonicContact NH1-OD2 3.59Å
209	R	98.4	Very high	98.3	Very high	19 Å²	19	28.6 Å²	28.6	7%	0.072	16%	0.158	C	C	.	.			trans	-71.7	136.4	-177.7	-60.9	-177.9	175.6	175.8	0.1	110.6	K202 L203 E205 D206 S207 Q242 Y439	K202-R209 WeakPolarHBondContact O-CD 3.3Å; K202-R209 PolarHBondContact O-NH1 2.88Å; L203-R209 HydrophobicContact CD2-CB 3.69Å; E205-R209 IonicContact OE2-CZ 3.78Å; E205-R209 IonicContact OE2-NH1 2.72Å; E205-R209 PolarHBondContact OE2-NH1 2.8Å; E205-R209 IonicContact OE2-NH2 3.4Å; D206-R209 HydrophobicContact CB-CG 3.96Å; D206-R209 WeakPolarHBondContact O-CB 3.15Å; D206-R209 WeakPolarHBondContact O-CG 3.42Å; D206-R209 PolarHBondContact O-N 3.41Å; S207-R209 VanDerWaalsContact C-N 3.32Å; R209-Q242 PolarHBondContact O-NE2 2.8Å; R209-Q242 VanDerWaalsContact O-NE2 3.17Å; R209-Y439 HydrophobicContact CB-CD1 3.9Å; R209-Y439 HydrophobicContact CB-CE1 3.51Å; R209-Y439 HydrophobicContact CG-CD1 3.41Å; R209-Y439 VanDerWaalsContact CG-CD1 3.41Å; R209-Y439 HydrophobicContact CG-CE1 3.61Å; R209-Y439 HydrophobicContact CG-CG 4.04Å
210	K	98.8	Very high	98.3	Very high	38 Å²	38	28.6 Å²	28.6	17%	0.165	16%	0.158	C	C	.	.			trans	-128.2	148.8	179.7	-57.7	-61.6	-160	172.6	0	111.3	P172 G241 Q242 Y439 F461 G462 T463	P172-K210 WeakPolarHBondContact CB-O 3.38Å; P172-K210 WeakPolarHBondContact CD-O 3.3Å; P172-K210 WeakPolarHBondContact CG-O 3.32Å; K210-G241 WeakPolarHBondContact CD-O 3.12Å; K210-G241 PolarHBondContact NZ-O 2.75Å; K210-Q242 CarbonylContact C-O 3.56Å; K210-Q242 WeakPolarHBondContact CA-O 3.13Å; K210-Y439 PolarHBondContact O-OH 2.84Å; K210-F461 HydrophobicContact CB-CB 3.97Å; K210-F461 HydrophobicContact CG-CB 3.89Å; K210-G462 WeakPolarHBondContact CB-O 3.43Å; K210-T463 HydrophobicContact CB-CG2 4.1Å; K210-T463 HydrophobicContact CD-CG2 4.16Å; K210-T463 HydrophobicContact CG-CG2 4.41Å
211	F	98.9	Very high	98.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	154.2	175	-155.4	-93.1	0	0	0	110.9	P172 H173 M199 L203 W213 Q242 L243 E244 Y429 W435	P172-F211 HydrophobicContact CB-CD2 3.56Å; P172-F211 HydrophobicContact CB-CE2 3.93Å; P172-F211 HydrophobicContact CB-CG 4.46Å; P172-F211 WeakPolarHBondContact O-CA 3.11Å; H173-F211 VanDerWaalsContact C-CZ 3.47Å; M199-F211 HydrophobicContact CE-CD1 3.41Å; M199-F211 VanDerWaalsContact CE-CD1 3.41Å; M199-F211 HydrophobicContact CE-CE1 3.42Å; M199-F211 VanDerWaalsContact CE-CE1 3.42Å; M199-F211 HydrophobicContact CE-CG 4.29Å; M199-F211 HydrophobicContact CE-CZ 4.28Å; M199-F211 HydrophobicContact SD-CD1 4.23Å; L203-F211 HydrophobicContact CD1-CB 3.93Å; L203-F211 HydrophobicContact CD2-CB 4.21Å; F211-W213 HydrophobicContact CE1-CE3 4.4Å; F211-Q242 PolarHBondContact N-O 3.12Å; F211-L243 HydrophobicContact CB-CD1 4.05Å; F211-L243 HydrophobicContact CD1-CD1 4.11Å; F211-L243 WeakPolarHBondContact O-CA 3.47Å; F211-E244 PolarHBondContact O-N 2.92Å; F211-Y429 HydrophobicContact CE2-CD1 4.24Å; F211-Y429 AromaticContact CE2-CD2 3.52Å; F211-Y429 HydrophobicContact CE2-CD2 3.52Å; F211-Y429 HydrophobicContact CE2-CE1 4.38Å; F211-Y429 AromaticContact CE2-CE2 3.71Å; F211-Y429 HydrophobicContact CE2-CE2 3.71Å; F211-Y429 AromaticContact CE2-CG 3.82Å; F211-Y429 HydrophobicContact CE2-CG 3.82Å; F211-Y429 AromaticContact CZ-CD2 3.79Å; F211-Y429 HydrophobicContact CZ-CD2 3.79Å; F211-Y429 HydrophobicContact CZ-CE2 4.26Å; F211-Y429 HydrophobicContact CZ-CG 4.24Å; F211-W435 AromaticContact CD2-CH2 3.63Å; F211-W435 HydrophobicContact CD2-CH2 3.63Å; F211-W435 AromaticContact CD2-CZ3 3.97Å; F211-W435 HydrophobicContact CD2-CZ3 3.97Å; F211-W435 AromaticContact CE2-CH2 3.76Å; F211-W435 HydrophobicContact CE2-CH2 3.76Å; F211-W435 HydrophobicContact CE2-CZ2 4.33Å; F211-W435 HydrophobicContact CE2-CZ3 4.34Å; F211-W435 HydrophobicContact CG-CH2 4.15Å; F211-W435 HydrophobicContact CZ-CH2 4.38Å
212	I	98.9	Very high	98.3	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.015	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	145.8	170.4	65.9	170.2	0	0	0	112	V171 P172 H173 E244 V246 W286	V171-I212 HydrophobicContact CG1-CB 4.46Å; V171-I212 HydrophobicContact CG1-CD1 3.76Å; V171-I212 HydrophobicContact CG1-CG1 3.96Å; V171-I212 HydrophobicContact CG1-CG2 3.66Å; P172-I212 PolarHBondContact O-N 3.41Å; H173-I212 HydrophobicContact CB-CD1 3.89Å; H173-I212 HydrophobicContact CB-CG1 3.5Å; H173-I212 VanDerWaalsContact CB-CG1 3.5Å; I212-E244 CarbonylContact C-O 3.6Å; I212-E244 VanDerWaalsContact CA-O 3.29Å; I212-E244 WeakPolarHBondContact CA-O 3.06Å; I212-E244 HydrophobicContact CG2-CB 4.23Å; I212-V246 HydrophobicContact CB-CG1 4.03Å; I212-V246 HydrophobicContact CB-CG2 4.26Å; I212-V246 HydrophobicContact CD1-CG1 4.39Å; I212-V246 HydrophobicContact CD1-CG2 4.22Å; I212-V246 HydrophobicContact CG2-CG1 4.1Å; I212-W286 HydrophobicContact CD1-CD2 3.87Å; I212-W286 HydrophobicContact CD1-CE3 3.88Å; I212-W286 HydrophobicContact CD1-CG 4.49Å; I212-W286 HydrophobicContact CD1-CH2 4.15Å; I212-W286 HydrophobicContact CD1-CZ2 4.12Å; I212-W286 HydrophobicContact CD1-CZ3 4.01Å
213	W	98.9	Very high	98.2	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.008	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	140.9	176.4	-173.3	-88.7	0	0	0	111.5	N176 T192 I195 L196 M199 F211 E215 F218 F219 L243 E244 I245 V246	N176-W213 HydrophobicContact CB-CH2 4.01Å; N176-W213 HydrophobicContact CB-CZ2 4.46Å; T192-W213 HydrophobicContact CG2-CH2 3.6Å; T192-W213 HydrophobicContact CG2-CZ2 4Å; I195-W213 HydrophobicContact CG2-CZ3 4.07Å; L196-W213 HydrophobicContact CD1-CH2 4.39Å; L196-W213 HydrophobicContact CD1-CZ2 4.26Å; L196-W213 HydrophobicContact CD2-CD2 4.1Å; L196-W213 HydrophobicContact CD2-CE3 4.04Å; L196-W213 HydrophobicContact CD2-CH2 4.14Å; L196-W213 HydrophobicContact CD2-CZ2 4.19Å; L196-W213 HydrophobicContact CD2-CZ3 4.06Å; L196-W213 HydrophobicContact CG-CH2 4.2Å; L196-W213 HydrophobicContact CG-CZ2 4.44Å; L196-W213 HydrophobicContact CG-CZ3 4.41Å; M199-W213 HydrophobicContact CE-CE3 3.77Å; M199-W213 HydrophobicContact CE-CZ3 4.28Å; F211-W213 HydrophobicContact CE1-CE3 4.4Å; W213-E215 PolarHBondContact NE1-O 2.94Å; W213-F218 HydrophobicContact CZ2-CB 3.94Å; W213-F219 AromaticContact CD1-CD2 3.93Å; W213-F219 HydrophobicContact CG-CD2 4.36Å; W213-L243 HydrophobicContact CB-CD1 4.17Å; W213-E244 PolarHBondContact N-O 2.82Å; W213-I245 HydrophobicContact CB-CD1 3.89Å; W213-I245 HydrophobicContact CG-CD1 4.42Å; W213-I245 CarbonylContact O-C 3.58Å; W213-I245 WeakPolarHBondContact O-CA 3.39Å; W213-V246 WeakPolarHBondContact O-CG2 3.3Å; W213-V246 PolarHBondContact O-N 3.03Å
214	S	97.6	Very high	98	Very high	6 Å²	6	32.5 Å²	32.5	4%	0.042	17%	0.168	C	C	.	.			trans	-115	-54.3	-172.9	163.5	0	0	0	0	113	I216 V246	S214-I216 PolarHBondContact O-N 3.26Å; S214-I216 VanDerWaalsContact O-N 3.15Å; S214-V246 WeakPolarHBondContact CA-O 3.45Å
215	E	98.5	Very high	97.9	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.009	17%	0.165	C	C	.	.			trans	-81	101.6	-165.9	-63.3	68.4	-135.8	0	0	112.6	N176 P178 W213 S217 F218 F219	N176-E215 WeakPolarHBondContact O-CG 3.41Å; P178-E215 HydrophobicContact CG-CB 4.24Å; P178-E215 HydrophobicContact CG-CG 3.92Å; W213-E215 PolarHBondContact NE1-O 2.94Å; E215-S217 VanDerWaalsContact C-N 3.28Å; E215-S217 PolarHBondContact O-N 3.45Å; E215-F218 HydrophobicContact CB-CD2 4.34Å; E215-F218 PolarHBondContact O-N 3.29Å; E215-F219 PolarHBondContact O-N 2.67Å
216	I	98.8	Very high	97.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-69.2	-25.7	-177.3	-57.7	-47.4	0	0	0	112.6	S214 F218 F219 A220 I245 G248 G249 W250 W273 L274	S214-I216 PolarHBondContact O-N 3.26Å; S214-I216 VanDerWaalsContact O-N 3.15Å; I216-F218 PolarHBondContact O-N 3.29Å; I216-F219 PolarHBondContact O-N 3.17Å; I216-A220 WeakPolarHBondContact O-CB 3.4Å; I216-A220 PolarHBondContact O-N 3.1Å; I216-I245 HydrophobicContact CD1-CG2 3.69Å; I216-G248 WeakPolarHBondContact CG1-O 3.37Å; I216-G249 WeakPolarHBondContact CB-O 3.4Å; I216-G249 VanDerWaalsContact CG1-O 3.27Å; I216-G249 WeakPolarHBondContact CG1-O 3.35Å; I216-G249 PolarHBondContact N-O 2.9Å; I216-G249 VanDerWaalsContact N-O 3.15Å; I216-W250 HydrophobicContact CB-CE3 4.49Å; I216-W250 HydrophobicContact CG2-CE3 4.25Å; I216-W250 HydrophobicContact CG2-CZ3 4.34Å; I216-W273 HydrophobicContact CG2-CB 4.29Å; I216-W273 HydrophobicContact CG2-CD2 4.05Å; I216-W273 HydrophobicContact CG2-CE3 3.72Å; I216-W273 HydrophobicContact CG2-CG 4.29Å; I216-L274 HydrophobicContact CD1-CD1 4.15Å; I216-L274 HydrophobicContact CD1-CD2 3.75Å; I216-L274 HydrophobicContact CD1-CG 4.18Å; I216-L274 HydrophobicContact CG1-CD1 4.22Å; I216-L274 HydrophobicContact CG1-CD2 4.39Å; I216-L274 HydrophobicContact CG1-CG 4.31Å
217	S	98.8	Very high	97.8	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.007	16%	0.156	C	C	.	.	H	α-helix	trans	-53.8	-49.9	173.8	51.3	0	0	0	0	112.7	E215 K221 W250	E215-S217 VanDerWaalsContact C-N 3.28Å; E215-S217 PolarHBondContact O-N 3.45Å; S217-K221 PolarHBondContact O-N 3.04Å; S217-K221 VanDerWaalsContact O-N 3.12Å; S217-W250 VanDerWaalsContact CB-CE2 3.5Å; S217-W250 WeakPolarHBondContact CB-O 3.44Å; S217-W250 PolarHBondContact N-O 3.36Å; S217-W250 PolarHBondContact OG-O 2.86Å
218	F	98.8	Very high	97.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-69.6	-39.7	176.2	-81.9	-53.2	0	0	0	112.9	N176 D177 P178 F184 F188 T192 W213 E215 I216 A220 K221 W222	N176-F218 HydrophobicContact CB-CD2 3.96Å; N176-F218 HydrophobicContact CB-CE2 4.07Å; N176-F218 WeakPolarHBondContact O-CE2 3.35Å; D177-F218 WeakPolarHBondContact O-CE2 3.49Å; P178-F218 HydrophobicContact CB-CE2 4.15Å; P178-F218 HydrophobicContact CG-CD2 4.28Å; P178-F218 HydrophobicContact CG-CE2 4.04Å; F184-F218 AromaticContact CD2-CD1 3.86Å; F184-F218 HydrophobicContact CD2-CD1 3.86Å; F184-F218 AromaticContact CD2-CE1 3.37Å; F184-F218 HydrophobicContact CD2-CE1 3.37Å; F184-F218 HydrophobicContact CD2-CE2 4.23Å; F184-F218 HydrophobicContact CD2-CG 4.45Å; F184-F218 AromaticContact CD2-CZ 3.59Å; F184-F218 HydrophobicContact CD2-CZ 3.59Å; F184-F218 AromaticContact CE2-CD1 3.34Å; F184-F218 HydrophobicContact CE2-CD1 3.34Å; F184-F218 HydrophobicContact CE2-CD2 4.21Å; F184-F218 AromaticContact CE2-CE1 3.4Å; F184-F218 HydrophobicContact CE2-CE1 3.4Å; F184-F218 HydrophobicContact CE2-CE2 4.27Å; F184-F218 AromaticContact CE2-CG 3.76Å; F184-F218 HydrophobicContact CE2-CG 3.76Å; F184-F218 AromaticContact CE2-CZ 3.89Å; F184-F218 HydrophobicContact CE2-CZ 3.89Å; F184-F218 HydrophobicContact CG-CE1 4.11Å; F184-F218 HydrophobicContact CG-CZ 4.49Å; F184-F218 AromaticContact CZ-CD1 3.89Å; F184-F218 HydrophobicContact CZ-CD1 3.89Å; F184-F218 HydrophobicContact CZ-CE1 4.18Å; F184-F218 HydrophobicContact CZ-CG 4.48Å; F184-F218 VanDerWaalsContact O-CE1 3.32Å; F184-F218 WeakPolarHBondContact O-CE1 3.11Å; F188-F218 HydrophobicContact CB-CD1 4.12Å; F188-F218 HydrophobicContact CB-CE1 3.9Å; F188-F218 HydrophobicContact CD2-CD1 4.1Å; T192-F218 HydrophobicContact CG2-CB 3.75Å; T192-F218 HydrophobicContact CG2-CD1 3.95Å; T192-F218 HydrophobicContact CG2-CD2 4.15Å; T192-F218 HydrophobicContact CG2-CG 3.71Å; W213-F218 HydrophobicContact CZ2-CB 3.94Å; E215-F218 HydrophobicContact CB-CD2 4.34Å; E215-F218 PolarHBondContact O-N 3.29Å; I216-F218 PolarHBondContact O-N 3.29Å; F218-A220 VanDerWaalsContact C-N 3.34Å; F218-K221 PolarHBondContact O-N 3.27Å; F218-W222 PolarHBondContact O-N 3Å
219	F	98.6	Very high	97.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.6	-42.9	179.5	-164.5	-85.7	0	0	0	111.2	L196 W213 E215 I216 W222 W223 M234 I238 W273 L278	L196-F219 HydrophobicContact CD2-CD2 3.89Å; L196-F219 HydrophobicContact CD2-CE2 4.25Å; W213-F219 AromaticContact CD1-CD2 3.93Å; W213-F219 HydrophobicContact CG-CD2 4.36Å; E215-F219 PolarHBondContact O-N 2.67Å; I216-F219 PolarHBondContact O-N 3.17Å; F219-W222 PolarHBondContact O-N 2.58Å; F219-W223 AromaticContact CE1-CE3 3.83Å; F219-W223 HydrophobicContact CE1-CE3 3.83Å; F219-W223 HydrophobicContact CE1-CZ3 4.3Å; F219-W223 HydrophobicContact CZ-CE3 4.36Å; F219-W223 WeakPolarHBondContact O-CB 3.02Å; F219-W223 PolarHBondContact O-N 2.92Å; F219-M234 HydrophobicContact CE2-CE 3.94Å; F219-M234 HydrophobicContact CE2-CG 4.05Å; F219-M234 HydrophobicContact CE2-SD 4.08Å; F219-M234 HydrophobicContact CZ-CE 4.38Å; F219-M234 HydrophobicContact CZ-CG 3.58Å; F219-M234 HydrophobicContact CZ-SD 4.2Å; F219-I238 HydrophobicContact CZ-CD1 4.08Å; F219-W273 AromaticContact CD1-CH2 3.37Å; F219-W273 HydrophobicContact CD1-CH2 3.37Å; F219-W273 HydrophobicContact CD1-CZ2 4.44Å; F219-W273 AromaticContact CD1-CZ3 3.43Å; F219-W273 HydrophobicContact CD1-CZ3 3.43Å; F219-W273 VanDerWaalsContact CD1-CZ3 3.43Å; F219-W273 AromaticContact CE1-CH2 3.6Å; F219-W273 HydrophobicContact CE1-CH2 3.6Å; F219-W273 AromaticContact CE1-CZ3 3.73Å; F219-W273 HydrophobicContact CE1-CZ3 3.73Å; F219-L278 HydrophobicContact CE1-CD1 3.83Å; F219-L278 HydrophobicContact CE1-CD2 4.41Å; F219-L278 HydrophobicContact CZ-CD1 4.25Å
220	A	98.1	Very high	97.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.9	-46	174.3	0	0	0	0	0	111.7	I216 F218 W222 W223 E224 W250 W273	I216-A220 WeakPolarHBondContact O-CB 3.4Å; I216-A220 PolarHBondContact O-N 3.1Å; F218-A220 VanDerWaalsContact C-N 3.34Å; A220-W222 VanDerWaalsContact C-N 3.34Å; A220-W222 PolarHBondContact O-N 3.38Å; A220-W223 WeakPolarHBondContact O-CB 3.23Å; A220-W223 PolarHBondContact O-N 3.21Å; A220-E224 WeakPolarHBondContact O-CG 3.31Å; A220-E224 PolarHBondContact O-N 2.8Å; A220-E224 VanDerWaalsContact O-N 3.1Å; A220-W250 HydrophobicContact CB-CH2 3.79Å; A220-W250 HydrophobicContact CB-CZ3 3.82Å; A220-W273 HydrophobicContact CB-CD2 4.1Å; A220-W273 HydrophobicContact CB-CG 4.39Å; A220-W273 HydrophobicContact CB-CZ2 3.98Å
221	K	98.1	Very high	97.6	Very high	54 Å²	54	38.7 Å²	38.7	24%	0.235	19%	0.189	C	C	.	.	H	α-helix	trans	-61.6	-41	175.8	-171.8	-178.8	-178	79.7	0	112.4	F184 D185 F188 S217 F218	F184-K221 HydrophobicContact CD1-CD 4.33Å; F184-K221 HydrophobicContact CE1-CB 4.47Å; F184-K221 HydrophobicContact CE1-CD 3.58Å; F184-K221 HydrophobicContact CZ-CB 4.24Å; F184-K221 HydrophobicContact CZ-CD 3.99Å; D185-K221 VanDerWaalsContact OD1-CE 3.25Å; D185-K221 WeakPolarHBondContact OD1-CE 3.16Å; D185-K221 IonicContact OD1-NZ 3.25Å; D185-K221 PolarHBondContact OD1-NZ 2.95Å; F188-K221 HydrophobicContact CB-CD 3.96Å; F188-K221 HydrophobicContact CD1-CD 3.74Å; F188-K221 HydrophobicContact CD1-CG 4.27Å; F188-K221 HydrophobicContact CD2-CB 4.35Å; F188-K221 HydrophobicContact CD2-CD 3.76Å; F188-K221 HydrophobicContact CD2-CG 4.09Å; F188-K221 HydrophobicContact CE1-CD 4.13Å; F188-K221 HydrophobicContact CE1-CG 4.14Å; F188-K221 HydrophobicContact CE2-CB 4.16Å; F188-K221 HydrophobicContact CE2-CD 4.14Å; F188-K221 HydrophobicContact CE2-CG 3.95Å; F188-K221 HydrophobicContact CG-CD 3.53Å; F188-K221 HydrophobicContact CG-CG 4.23Å; F188-K221 HydrophobicContact CZ-CD 4.31Å; F188-K221 HydrophobicContact CZ-CG 3.97Å; S217-K221 PolarHBondContact O-N 3.04Å; S217-K221 VanDerWaalsContact O-N 3.12Å; F218-K221 PolarHBondContact O-N 3.27Å
222	W	98.6	Very high	97.5	Very high	1 Å²	1	42.2 Å²	42.2	0%	0.004	21%	0.205	C	C	.	.	H	α-helix	trans	-62.7	-46.9	174.7	177.5	83.8	0	0	0	111.2	F188 L196 N197 V200 F218 F219 A220 E224 T225 A226 K230 M234	F188-W222 HydrophobicContact CE2-CB 3.87Å; F188-W222 HydrophobicContact CZ-CB 4.37Å; L196-W222 HydrophobicContact CB-CD2 4.02Å; L196-W222 HydrophobicContact CB-CG 3.83Å; L196-W222 HydrophobicContact CD1-CB 3.39Å; L196-W222 HydrophobicContact CD1-CD2 4.26Å; L196-W222 HydrophobicContact CD1-CG 3.58Å; L196-W222 HydrophobicContact CG-CG 4.32Å; N197-W222 PolarHBondContact OD1-NE1 2.85Å; V200-W222 HydrophobicContact CG2-CH2 3.81Å; V200-W222 HydrophobicContact CG2-CZ2 3.87Å; F218-W222 PolarHBondContact O-N 3Å; F219-W222 PolarHBondContact O-N 2.58Å; A220-W222 VanDerWaalsContact C-N 3.34Å; A220-W222 PolarHBondContact O-N 3.38Å; W222-E224 VanDerWaalsContact C-N 3.29Å; W222-E224 PolarHBondContact O-N 3.45Å; W222-T225 CarbonylContact O-C 3.52Å; W222-T225 PolarHBondContact O-N 3.31Å; W222-T225 PolarHBondContact O-OG1 3.29Å; W222-A226 HydrophobicContact CD2-CB 4.14Å; W222-A226 HydrophobicContact CE3-CB 4.15Å; W222-A226 HydrophobicContact CH2-CB 3.88Å; W222-A226 HydrophobicContact CZ2-CB 3.87Å; W222-A226 HydrophobicContact CZ3-CB 4.02Å; W222-A226 PolarHBondContact O-N 3.16Å; W222-K230 HydrophobicContact CH2-CB 4.16Å; W222-K230 HydrophobicContact CZ2-CB 4.22Å; W222-M234 HydrophobicContact CE3-CE 4.45Å; W222-M234 HydrophobicContact CH2-CB 4.03Å; W222-M234 HydrophobicContact CH2-CE 3.81Å; W222-M234 HydrophobicContact CH2-CG 4.33Å; W222-M234 HydrophobicContact CZ2-CE 4.32Å; W222-M234 HydrophobicContact CZ3-CB 4.12Å; W222-M234 HydrophobicContact CZ3-CE 3.88Å; W222-M234 HydrophobicContact CZ3-CG 4.07Å
223	W	97.6	Very high	97.5	Very high	18 Å²	18	43.7 Å²	43.7	7%	0.068	22%	0.218	C	C	.	.	H	α-helix	trans	-56.4	-41.5	-178.5	-168.5	-91.1	0	0	0	112.4	F219 A220 T225 A226 Q231 M234 W273 L278	F219-W223 AromaticContact CE1-CE3 3.83Å; F219-W223 HydrophobicContact CE1-CE3 3.83Å; F219-W223 HydrophobicContact CE1-CZ3 4.3Å; F219-W223 HydrophobicContact CZ-CE3 4.36Å; F219-W223 WeakPolarHBondContact O-CB 3.02Å; F219-W223 PolarHBondContact O-N 2.92Å; A220-W223 WeakPolarHBondContact O-CB 3.23Å; A220-W223 PolarHBondContact O-N 3.21Å; W223-T225 PolarHBondContact O-N 2.03Å; W223-A226 PolarHBondContact O-N 2.95Å; W223-Q231 HydrophobicContact CD2-CG 3.87Å; W223-Q231 HydrophobicContact CE3-CB 4.42Å; W223-Q231 HydrophobicContact CE3-CG 4.05Å; W223-Q231 HydrophobicContact CG-CG 4.5Å; W223-Q231 HydrophobicContact CH2-CB 3.54Å; W223-Q231 HydrophobicContact CH2-CG 3.97Å; W223-Q231 WeakPolarHBondContact CH2-O 3.48Å; W223-Q231 HydrophobicContact CZ2-CB 3.66Å; W223-Q231 HydrophobicContact CZ2-CG 3.79Å; W223-Q231 HydrophobicContact CZ3-CB 3.94Å; W223-Q231 HydrophobicContact CZ3-CG 4.09Å; W223-Q231 PolarHBondContact O-NE2 2.82Å; W223-M234 HydrophobicContact CZ3-CB 4.29Å; W223-M234 HydrophobicContact CZ3-CG 4.36Å; W223-W273 HydrophobicContact CB-CH2 3.91Å; W223-W273 HydrophobicContact CB-CZ2 3.61Å; W223-W273 AromaticContact CD1-CZ2 3.85Å; W223-W273 AromaticContact CD2-CH2 3.97Å; W223-W273 HydrophobicContact CD2-CH2 3.97Å; W223-W273 HydrophobicContact CD2-CZ2 4.21Å; W223-W273 HydrophobicContact CE3-CH2 4.27Å; W223-W273 AromaticContact CG-CH2 3.82Å; W223-W273 HydrophobicContact CG-CH2 3.82Å; W223-W273 AromaticContact CG-CZ2 3.6Å; W223-W273 HydrophobicContact CG-CZ2 3.6Å; W223-L278 HydrophobicContact CE3-CD2 4.27Å; W223-L278 HydrophobicContact CH2-CD2 3.48Å; W223-L278 VanDerWaalsContact CH2-CD2 3.48Å; W223-L278 HydrophobicContact CZ2-CD2 4.17Å; W223-L278 HydrophobicContact CZ3-CD2 3.55Å
224	E	94.3	Very high	97.4	Very high	127 Å²	127	43.6 Å²	43.6	59%	0.593	22%	0.217	S	C	*	.	H	α-helix	trans	-61.1	-26.7	176.3	-72	169.6	-175.1	0	0	113.3	A220 W222 R561	A220-E224 WeakPolarHBondContact O-CG 3.31Å; A220-E224 PolarHBondContact O-N 2.8Å; A220-E224 VanDerWaalsContact O-N 3.1Å; W222-E224 VanDerWaalsContact C-N 3.29Å; W222-E224 PolarHBondContact O-N 3.45Å; E224-R561 IonicContact OE1-NH1 3.29Å
225	T	94.6	Very high	97.4	Very high	84 Å²	84	46.7 Å²	46.7	52%	0.515	23%	0.228	S	C	.	.	H	α-helix	trans	-101.6	-14.8	-179.9	65.9	0	0	0	0	114	W222 W223	W222-T225 CarbonylContact O-C 3.52Å; W222-T225 PolarHBondContact O-N 3.31Å; W222-T225 PolarHBondContact O-OG1 3.29Å; W223-T225 PolarHBondContact O-N 2.03Å
226	A	96.3	Very high	97.4	Very high	11 Å²	11	53.2 Å²	53.2	9%	0.091	26%	0.256	C	S	.	.	S	Bend	trans	-77	137.5	-178.9	0	0	0	0	0	110.8	W222 W223 K230 Q231	W222-A226 HydrophobicContact CD2-CB 4.14Å; W222-A226 HydrophobicContact CE3-CB 4.15Å; W222-A226 HydrophobicContact CH2-CB 3.88Å; W222-A226 HydrophobicContact CZ2-CB 3.87Å; W222-A226 HydrophobicContact CZ3-CB 4.02Å; W222-A226 PolarHBondContact O-N 3.16Å; W223-A226 PolarHBondContact O-N 2.95Å; A226-K230 HydrophobicContact CB-CB 4.2Å; A226-Q231 HydrophobicContact CB-CG 4Å; A226-Q231 PolarHBondContact O-NE2 2.84Å; A226-Q231 VanDerWaalsContact O-NE2 3.17Å
227	D	96.3	Very high	97.4	Very high	70 Å²	70	53.6 Å²	53.6	37%	0.374	26%	0.259	S	S	.	.			trans	-68.2	162.1	171.2	61.6	66.8	0	0	0	111.6	Y229 K230 Q231	D227-Y229 PolarHBondContact O-N 3.44Å; D227-Y229 VanDerWaalsContact O-N 3.16Å; D227-Y229 WeakPolarHBondContact OD1-CB 3.35Å; D227-Y229 PolarHBondContact OD1-N 2.77Å; D227-Y229 VanDerWaalsContact OD1-N 3.09Å; D227-K230 PolarHBondContact O-N 2.9Å; D227-K230 VanDerWaalsContact O-N 3.14Å; D227-K230 PolarHBondContact OD1-N 2.95Å; D227-K230 WeakPolarHBondContact OD2-CD 3.39Å; D227-K230 VanDerWaalsContact OD2-CE 3.28Å; D227-K230 WeakPolarHBondContact OD2-CE 3.47Å; D227-K230 IonicContact OD2-NZ 2.93Å; D227-K230 PolarHBondContact OD2-NZ 2.88Å; D227-Q231 WeakPolarHBondContact O-CG 3.28Å; D227-Q231 PolarHBondContact O-N 2.91Å
228	V	96.1	Very high	97.3	Very high	111 Å²	111	54.3 Å²	54.3	67%	0.673	26%	0.262	S	S	*	.	H	α-helix	trans	-58.1	-32.2	-176.3	178.4	0	0	0	0	112.3	E232	V228-E232 WeakPolarHBondContact O-CB 3.33Å; V228-E232 PolarHBondContact O-N 3.45Å
229	Y	96.9	Very high	97.2	Very high	202 Å²	202	59.9 Å²	59.9	79%	0.792	29%	0.291	S	S	*	.	H	α-helix	trans	-70	-43.1	179.1	-61.8	-76.9	0	0	0	111.6	D227 E232 A233	D227-Y229 PolarHBondContact O-N 3.44Å; D227-Y229 VanDerWaalsContact O-N 3.16Å; D227-Y229 WeakPolarHBondContact OD1-CB 3.35Å; D227-Y229 PolarHBondContact OD1-N 2.77Å; D227-Y229 VanDerWaalsContact OD1-N 3.09Å; Y229-E232 PolarHBondContact O-N 2.95Å; Y229-A233 WeakPolarHBondContact O-CB 3.33Å; Y229-A233 PolarHBondContact O-N 2.77Å
230	K	97.3	Very high	97.1	Very high	82 Å²	82	62.4 Å²	62.4	36%	0.357	32%	0.318	S	S	.	.	H	α-helix	trans	-65	-42.1	173.8	-72	176.5	-171.3	163.2	0	112.1	W222 A226 D227 E232 A233 M234	W222-K230 HydrophobicContact CH2-CB 4.16Å; W222-K230 HydrophobicContact CZ2-CB 4.22Å; A226-K230 HydrophobicContact CB-CB 4.2Å; D227-K230 PolarHBondContact O-N 2.9Å; D227-K230 VanDerWaalsContact O-N 3.14Å; D227-K230 PolarHBondContact OD1-N 2.95Å; D227-K230 WeakPolarHBondContact OD2-CD 3.39Å; D227-K230 VanDerWaalsContact OD2-CE 3.28Å; D227-K230 WeakPolarHBondContact OD2-CE 3.47Å; D227-K230 IonicContact OD2-NZ 2.93Å; D227-K230 PolarHBondContact OD2-NZ 2.88Å; K230-E232 VanDerWaalsContact C-N 3.34Å; K230-E232 PolarHBondContact O-N 2.76Å; K230-A233 PolarHBondContact O-N 2.81Å; K230-M234 VanDerWaalsContact O-CB 3.31Å; K230-M234 WeakPolarHBondContact O-CB 3.4Å; K230-M234 PolarHBondContact O-N 2.86Å
231	Q	97.5	Very high	97.1	Very high	39 Å²	39	63.8 Å²	63.8	18%	0.182	33%	0.332	C	S	.	.	H	α-helix	trans	-58.6	-46.4	175.9	-73.2	179.5	-2.8	0	0	111.2	W223 A226 D227 M234 R235	W223-Q231 HydrophobicContact CD2-CG 3.87Å; W223-Q231 HydrophobicContact CE3-CB 4.42Å; W223-Q231 HydrophobicContact CE3-CG 4.05Å; W223-Q231 HydrophobicContact CG-CG 4.5Å; W223-Q231 HydrophobicContact CH2-CB 3.54Å; W223-Q231 HydrophobicContact CH2-CG 3.97Å; W223-Q231 WeakPolarHBondContact CH2-O 3.48Å; W223-Q231 HydrophobicContact CZ2-CB 3.66Å; W223-Q231 HydrophobicContact CZ2-CG 3.79Å; W223-Q231 HydrophobicContact CZ3-CB 3.94Å; W223-Q231 HydrophobicContact CZ3-CG 4.09Å; W223-Q231 PolarHBondContact O-NE2 2.82Å; A226-Q231 HydrophobicContact CB-CG 4Å; A226-Q231 PolarHBondContact O-NE2 2.84Å; A226-Q231 VanDerWaalsContact O-NE2 3.17Å; D227-Q231 WeakPolarHBondContact O-CG 3.28Å; D227-Q231 PolarHBondContact O-N 2.91Å; Q231-M234 PolarHBondContact O-N 3.24Å; Q231-R235 WeakPolarHBondContact O-CB 3.01Å; Q231-R235 PolarHBondContact O-N 3.44Å
232	E	97.4	Very high	97.1	Very high	73 Å²	73	62.6 Å²	62.6	34%	0.341	33%	0.327	S	S	.	.	H	α-helix	trans	-69.6	-38.7	178.9	-175.5	55.4	-153.7	0	0	112.5	V228 Y229 K230 R235 K236	V228-E232 WeakPolarHBondContact O-CB 3.33Å; V228-E232 PolarHBondContact O-N 3.45Å; Y229-E232 PolarHBondContact O-N 2.95Å; K230-E232 VanDerWaalsContact C-N 3.34Å; K230-E232 PolarHBondContact O-N 2.76Å; E232-R235 PolarHBondContact O-N 2.92Å; E232-R235 IonicContact OE2-CZ 2.66Å; E232-R235 IonicContact OE2-NH1 2.72Å; E232-R235 PolarHBondContact OE2-NH1 3.08Å; E232-K236 WeakPolarHBondContact O-CG 3.2Å; E232-K236 PolarHBondContact O-N 2.97Å; E232-K236 WeakPolarHBondContact OE1-CE 3.4Å
233	A	97.8	Very high	97.1	Very high	34 Å²	34	62.6 Å²	62.6	28%	0.281	33%	0.327	S	S	.	.	H	α-helix	trans	-61.9	-44.4	173.5	0	0	0	0	0	111.6	V200 Y229 K230 K236 L237	V200-A233 HydrophobicContact CG1-CB 3.68Å; Y229-A233 WeakPolarHBondContact O-CB 3.33Å; Y229-A233 PolarHBondContact O-N 2.77Å; K230-A233 PolarHBondContact O-N 2.81Å; A233-K236 PolarHBondContact O-N 2.93Å; A233-L237 WeakPolarHBondContact O-CG 3.41Å; A233-L237 PolarHBondContact O-N 3.39Å
234	M	98.1	Very high	97.1	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-60.3	-46.2	174.5	-175.1	63.8	89.5	0	0	111.4	L196 M199 V200 F219 W222 W223 K230 Q231 K236 L237 I238 L243	L196-M234 HydrophobicContact CD2-CE 4.25Å; M199-M234 HydrophobicContact SD-CE 4.07Å; M199-M234 HydrophobicContact SD-SD 4.34Å; V200-M234 HydrophobicContact CG2-CB 4.19Å; V200-M234 HydrophobicContact CG2-CE 3.5Å; V200-M234 HydrophobicContact CG2-SD 4.19Å; F219-M234 HydrophobicContact CE2-CE 3.94Å; F219-M234 HydrophobicContact CE2-CG 4.05Å; F219-M234 HydrophobicContact CE2-SD 4.08Å; F219-M234 HydrophobicContact CZ-CE 4.38Å; F219-M234 HydrophobicContact CZ-CG 3.58Å; F219-M234 HydrophobicContact CZ-SD 4.2Å; W222-M234 HydrophobicContact CE3-CE 4.45Å; W222-M234 HydrophobicContact CH2-CB 4.03Å; W222-M234 HydrophobicContact CH2-CE 3.81Å; W222-M234 HydrophobicContact CH2-CG 4.33Å; W222-M234 HydrophobicContact CZ2-CE 4.32Å; W222-M234 HydrophobicContact CZ3-CB 4.12Å; W222-M234 HydrophobicContact CZ3-CE 3.88Å; W222-M234 HydrophobicContact CZ3-CG 4.07Å; W223-M234 HydrophobicContact CZ3-CB 4.29Å; W223-M234 HydrophobicContact CZ3-CG 4.36Å; K230-M234 VanDerWaalsContact O-CB 3.31Å; K230-M234 WeakPolarHBondContact O-CB 3.4Å; K230-M234 PolarHBondContact O-N 2.86Å; Q231-M234 PolarHBondContact O-N 3.24Å; M234-K236 VanDerWaalsContact C-N 3.31Å; M234-K236 PolarHBondContact O-N 2.76Å; M234-L237 PolarHBondContact O-N 2.96Å; M234-I238 HydrophobicContact CG-CD1 4.21Å; M234-I238 WeakPolarHBondContact O-CG1 3.47Å; M234-I238 PolarHBondContact O-N 3.39Å; M234-L243 HydrophobicContact CE-CD2 4.42Å; M234-L243 HydrophobicContact SD-CD2 3.32Å; M234-L243 WeakPolarHBondContact SD-CD2 3.26Å
235	R	97.4	Very high	97.4	Very high	72 Å²	72	56.9 Å²	56.9	27%	0.272	30%	0.301	S	S	.	.	H	α-helix	trans	-57.8	-42.7	176	-173.6	-178.4	-68.9	131.4	-3.7	111.7	Q231 E232 I238 L239 N277	Q231-R235 WeakPolarHBondContact O-CB 3.01Å; Q231-R235 PolarHBondContact O-N 3.44Å; E232-R235 PolarHBondContact O-N 2.92Å; E232-R235 IonicContact OE2-CZ 2.66Å; E232-R235 IonicContact OE2-NH1 2.72Å; E232-R235 PolarHBondContact OE2-NH1 3.08Å; R235-I238 PolarHBondContact O-N 3.34Å; R235-L239 HydrophobicContact CG-CD1 3.89Å; R235-L239 HydrophobicContact CG-CG 4.3Å; R235-L239 WeakPolarHBondContact O-CB 3.48Å; R235-L239 WeakPolarHBondContact O-CG 3.12Å; R235-L239 PolarHBondContact O-N 2.91Å; R235-N277 PolarHBondContact NH2-O 3.1Å
236	K	97.5	Very high	97.5	Very high	138 Å²	138	53 Å²	53	60%	0.6	28%	0.277	S	S	*	.	H	α-helix	trans	-62.9	-41.4	176.1	-74.3	174.2	-178.3	176.8	0	112.9	E232 A233 M234 I238 G240	E232-K236 WeakPolarHBondContact O-CG 3.2Å; E232-K236 PolarHBondContact O-N 2.97Å; E232-K236 WeakPolarHBondContact OE1-CE 3.4Å; A233-K236 PolarHBondContact O-N 2.93Å; M234-K236 VanDerWaalsContact C-N 3.31Å; M234-K236 PolarHBondContact O-N 2.76Å; K236-I238 VanDerWaalsContact C-N 3.28Å; K236-I238 PolarHBondContact O-N 3.04Å; K236-G240 WeakPolarHBondContact O-CA 3.36Å; K236-G240 PolarHBondContact O-N 3.05Å
237	L	98.4	Very high	97.7	Very high	9 Å²	9	53 Å²	53	5%	0.047	28%	0.277	C	S	.	.	H	α-helix	trans	-62.5	-38.2	176.3	-69.4	170.6	0	0	0	111.8	L203 A233 M234 G241 Q242 L243	L203-L237 HydrophobicContact CB-CD1 3.92Å; L203-L237 HydrophobicContact CB-CD2 3.67Å; L203-L237 HydrophobicContact CB-CG 4.39Å; L203-L237 HydrophobicContact CD1-CD1 4.33Å; A233-L237 WeakPolarHBondContact O-CG 3.41Å; A233-L237 PolarHBondContact O-N 3.39Å; M234-L237 PolarHBondContact O-N 2.96Å; L237-G241 PolarHBondContact O-N 3.39Å; L237-Q242 HydrophobicContact CD2-CB 4.18Å; L237-Q242 PolarHBondContact O-N 2.96Å; L237-L243 HydrophobicContact CB-CB 4.34Å; L237-L243 PolarHBondContact O-N 3.37Å; L237-L243 VanDerWaalsContact O-N 3.07Å
238	I	98.1	Very high	97.7	Very high	16 Å²	16	49.7 Å²	49.7	8%	0.082	26%	0.259	C	S	.	.	H	α-helix	trans	-69.6	-53.5	177.6	-66	173.2	0	0	0	111.1	F219 M234 R235 K236 G240 G241 L243 I245 L278 I280	F219-I238 HydrophobicContact CZ-CD1 4.08Å; M234-I238 HydrophobicContact CG-CD1 4.21Å; M234-I238 WeakPolarHBondContact O-CG1 3.47Å; M234-I238 PolarHBondContact O-N 3.39Å; R235-I238 PolarHBondContact O-N 3.34Å; K236-I238 VanDerWaalsContact C-N 3.28Å; K236-I238 PolarHBondContact O-N 3.04Å; I238-G240 PolarHBondContact O-N 3.24Å; I238-G241 PolarHBondContact O-N 3.34Å; I238-L243 WeakPolarHBondContact CA-O 3.31Å; I238-L243 HydrophobicContact CD1-CD2 4.03Å; I238-L243 HydrophobicContact CG1-CB 3.93Å; I238-L243 HydrophobicContact CG1-CD2 3.65Å; I238-L243 HydrophobicContact CG1-CG 3.87Å; I238-I245 HydrophobicContact CD1-CD1 4.41Å; I238-I245 HydrophobicContact CD1-CG1 4.4Å; I238-L278 HydrophobicContact CD1-CD1 3.75Å; I238-L278 HydrophobicContact CD1-CD2 4.38Å; I238-I280 HydrophobicContact CG2-CD1 3.69Å; I238-I280 HydrophobicContact CG2-CG2 3.82Å
239	L	96.9	Very high	97.8	Very high	116 Å²	116	44.4 Å²	44.4	61%	0.607	23%	0.227	S	C	*	.	H	α-helix	trans	-65.7	-28.1	-179.4	-65.3	178.2	0	0	0	112.5	R235 G241 I280	R235-L239 HydrophobicContact CG-CD1 3.89Å; R235-L239 HydrophobicContact CG-CG 4.3Å; R235-L239 WeakPolarHBondContact O-CB 3.48Å; R235-L239 WeakPolarHBondContact O-CG 3.12Å; R235-L239 PolarHBondContact O-N 2.91Å; L239-G241 PolarHBondContact O-N 3.46Å; L239-I280 HydrophobicContact CD2-CG2 4.01Å
240	G	96.4	Very high	97.9	Very high	54 Å²	54	35.6 Å²	35.6	56%	0.557	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-2.3	171.9	0	0	0	0	0	114.4	K236 I238 Q242	K236-G240 WeakPolarHBondContact O-CA 3.36Å; K236-G240 PolarHBondContact O-N 3.05Å; I238-G240 PolarHBondContact O-N 3.24Å; G240-Q242 VanDerWaalsContact C-N 3.27Å; G240-Q242 PolarHBondContact O-N 2.77Å
241	G	97.1	Very high	98	Very high	29 Å²	29	31.8 Å²	31.8	30%	0.299	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	71	15	178.2	0	0	0	0	0	114.8	K210 L237 I238 L239	K210-G241 WeakPolarHBondContact CD-O 3.12Å; K210-G241 PolarHBondContact NZ-O 2.75Å; L237-G241 PolarHBondContact O-N 3.39Å; I238-G241 PolarHBondContact O-N 3.34Å; L239-G241 PolarHBondContact O-N 3.46Å
242	Q	98.4	Very high	98.1	Very high	28 Å²	28	30.1 Å²	30.1	13%	0.131	17%	0.168	C	C	.	.	S	Bend	trans	-80.1	-28.4	171.5	-69.9	-170.3	-102.9	0	0	112	L203 D206 R209 K210 F211 L237 G240	L203-Q242 PolarHBondContact O-NE2 2.96Å; D206-Q242 PolarHBondContact O-NE2 3.17Å; R209-Q242 PolarHBondContact O-NE2 2.8Å; R209-Q242 VanDerWaalsContact O-NE2 3.17Å; K210-Q242 CarbonylContact C-O 3.56Å; K210-Q242 WeakPolarHBondContact CA-O 3.13Å; F211-Q242 PolarHBondContact N-O 3.12Å; L237-Q242 HydrophobicContact CD2-CB 4.18Å; L237-Q242 PolarHBondContact O-N 2.96Å; G240-Q242 VanDerWaalsContact C-N 3.27Å; G240-Q242 PolarHBondContact O-N 2.77Å
243	L	98.7	Very high	98.1	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	124.4	171.6	176.2	62.1	0	0	0	109.3	M199 L203 F211 W213 M234 L237 I238	M199-L243 HydrophobicContact CE-CD1 4.47Å; M199-L243 HydrophobicContact SD-CD1 3.65Å; M199-L243 HydrophobicContact SD-CD2 3.54Å; M199-L243 VanDerWaalsContact SD-CD2 3.54Å; M199-L243 HydrophobicContact SD-CG 4.23Å; L203-L243 HydrophobicContact CD1-CB 4.18Å; F211-L243 HydrophobicContact CB-CD1 4.05Å; F211-L243 HydrophobicContact CD1-CD1 4.11Å; F211-L243 WeakPolarHBondContact O-CA 3.47Å; W213-L243 HydrophobicContact CB-CD1 4.17Å; M234-L243 HydrophobicContact CE-CD2 4.42Å; M234-L243 HydrophobicContact SD-CD2 3.32Å; M234-L243 WeakPolarHBondContact SD-CD2 3.26Å; L237-L243 HydrophobicContact CB-CB 4.34Å; L237-L243 PolarHBondContact O-N 3.37Å; L237-L243 VanDerWaalsContact O-N 3.07Å; I238-L243 WeakPolarHBondContact CA-O 3.31Å; I238-L243 HydrophobicContact CD1-CD2 4.03Å; I238-L243 HydrophobicContact CG1-CB 3.93Å; I238-L243 HydrophobicContact CG1-CD2 3.65Å; I238-L243 HydrophobicContact CG1-CG 3.87Å
244	E	98.8	Very high	98.2	Very high	20 Å²	20	25.2 Å²	25.2	9%	0.093	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	135.3	170.7	177	-179	161.2	0	0	110.4	F211 I212 W213 V246 T463 L464 T465	F211-E244 PolarHBondContact O-N 2.92Å; I212-E244 CarbonylContact C-O 3.6Å; I212-E244 VanDerWaalsContact CA-O 3.29Å; I212-E244 WeakPolarHBondContact CA-O 3.06Å; I212-E244 HydrophobicContact CG2-CB 4.23Å; W213-E244 PolarHBondContact N-O 2.82Å; E244-V246 HydrophobicContact CG-CG1 4.01Å; E244-T463 HydrophobicContact CB-CG2 3.88Å; E244-T463 WeakPolarHBondContact OE2-CB 3.31Å; E244-T463 PolarHBondContact OE2-OG1 3.44Å; E244-L464 PolarHBondContact OE2-N 3.01Å; E244-T465 PolarHBondContact OE1-N 3Å; E244-T465 PolarHBondContact OE1-OG1 3.32Å; E244-T465 WeakPolarHBondContact OE2-CB 3.38Å; E244-T465 PolarHBondContact OE2-N 3.32Å; E244-T465 PolarHBondContact OE2-OG1 3.39Å; E244-T465 VanDerWaalsContact OE2-OG1 3.11Å
245	I	98.7	Very high	98.2	Very high	6 Å²	6	25.3 Å²	25.3	3%	0.031	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	116.5	166.2	-57.1	-52.6	0	0	0	108.4	W213 I216 I238 L274 I280	W213-I245 HydrophobicContact CB-CD1 3.89Å; W213-I245 HydrophobicContact CG-CD1 4.42Å; W213-I245 CarbonylContact O-C 3.58Å; W213-I245 WeakPolarHBondContact O-CA 3.39Å; I216-I245 HydrophobicContact CD1-CG2 3.69Å; I238-I245 HydrophobicContact CD1-CD1 4.41Å; I238-I245 HydrophobicContact CD1-CG1 4.4Å; I245-L274 HydrophobicContact CG1-CD2 4.25Å; I245-L274 HydrophobicContact CG2-CD1 3.8Å; I245-L274 HydrophobicContact CG2-CD2 4.04Å; I245-I280 HydrophobicContact CB-CD1 3.97Å; I245-I280 HydrophobicContact CG1-CD1 3.57Å
246	V	98.7	Very high	98.3	Very high	1 Å²	1	22 Å²	22	1%	0.006	13%	0.128	C	C	.	.			trans	-102.7	144.4	179.3	-65.9	0	0	0	0	110.3	I212 W213 S214 E244 G248 W286 L464	I212-V246 HydrophobicContact CB-CG1 4.03Å; I212-V246 HydrophobicContact CB-CG2 4.26Å; I212-V246 HydrophobicContact CD1-CG1 4.39Å; I212-V246 HydrophobicContact CD1-CG2 4.22Å; I212-V246 HydrophobicContact CG2-CG1 4.1Å; W213-V246 WeakPolarHBondContact O-CG2 3.3Å; W213-V246 PolarHBondContact O-N 3.03Å; S214-V246 WeakPolarHBondContact CA-O 3.45Å; E244-V246 HydrophobicContact CG-CG1 4.01Å; V246-G248 PolarHBondContact O-N 3.13Å; V246-W286 HydrophobicContact CB-CB 3.75Å; V246-W286 HydrophobicContact CG2-CB 3.47Å; V246-W286 VanDerWaalsContact CG2-CB 3.47Å; V246-W286 HydrophobicContact CG2-CG 3.85Å; V246-L464 HydrophobicContact CG1-CB 3.96Å; V246-L464 HydrophobicContact CG1-CD2 4.05Å
247	T	98.6	Very high	98.4	Very high	13 Å²	13	15.4 Å²	15.4	8%	0.08	10%	0.099	C	C	.	.	S	Bend	trans	59.6	-60.6	-167.9	-51.6	0	0	0	0	113.4	G249 L267 H271 S284 W286 L301	T247-G249 VanDerWaalsContact C-N 3.34Å; T247-L267 HydrophobicContact CG2-CD1 4.34Å; T247-H271 PolarHBondContact O-NE2 3.32Å; T247-S284 PolarHBondContact N-O 3.09Å; T247-W286 PolarHBondContact OG1-N 3.18Å; T247-W286 PolarHBondContact OG1-O 3.14Å; T247-W286 VanDerWaalsContact OG1-O 3.13Å; T247-L301 HydrophobicContact CG2-CD2 4.42Å
248	G	97.8	Very high	98.4	Very high	0 Å²	0	15 Å²	15	0%	0	10%	0.097	C	C	.	.			trans	77.9	13.4	-179.3	0	0	0	0	0	114.9	I216 V246 G270 H271	I216-G248 WeakPolarHBondContact CG1-O 3.37Å; V246-G248 PolarHBondContact O-N 3.13Å; G248-G270 CarbonylContact O-C 3.4Å; G248-G270 VanDerWaalsContact O-CA 3.23Å; G248-G270 WeakPolarHBondContact O-CA 3.43Å; G248-H271 PolarHBondContact O-CD2 2.75Å; G248-H271 PolarHBondContact O-N 2.75Å
249	G	98.5	Very high	98.4	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.099	C	C	.	.			trans	-72.5	159.7	173	0	0	0	0	0	112.6	I216 T247 V251	I216-G249 WeakPolarHBondContact CB-O 3.4Å; I216-G249 VanDerWaalsContact CG1-O 3.27Å; I216-G249 WeakPolarHBondContact CG1-O 3.35Å; I216-G249 PolarHBondContact N-O 2.9Å; I216-G249 VanDerWaalsContact N-O 3.15Å; T247-G249 VanDerWaalsContact C-N 3.34Å; G249-V251 PolarHBondContact O-N 2.99Å
250	W	98.8	Very high	98.5	Very high	16 Å²	16	10.4 Å²	10.4	6%	0.061	7%	0.072	C	C	.	.	S	Bend	trans	-56.2	-35.4	173.1	-164.7	-112.4	0	0	0	111.8	I216 S217 A220 Q266 E269 R561	I216-W250 HydrophobicContact CB-CE3 4.49Å; I216-W250 HydrophobicContact CG2-CE3 4.25Å; I216-W250 HydrophobicContact CG2-CZ3 4.34Å; S217-W250 VanDerWaalsContact CB-CE2 3.5Å; S217-W250 WeakPolarHBondContact CB-O 3.44Å; S217-W250 PolarHBondContact N-O 3.36Å; S217-W250 PolarHBondContact OG-O 2.86Å; A220-W250 HydrophobicContact CB-CH2 3.79Å; A220-W250 HydrophobicContact CB-CZ3 3.82Å; W250-Q266 HydrophobicContact CB-CB 4.13Å; W250-Q266 PolarHBondContact N-O 3.36Å; W250-Q266 VanDerWaalsContact N-O 3.12Å; W250-E269 HydrophobicContact CD2-CG 4.29Å; W250-E269 HydrophobicContact CE3-CG 3.97Å; W250-E269 HydrophobicContact CZ3-CG 4.4Å; W250-R561 HydrophobicContact CH2-CG 4.02Å; W250-R561 HydrophobicContact CZ2-CB 3.93Å; W250-R561 HydrophobicContact CZ2-CG 3.69Å; W250-R561 PolarHBondContact NE1-O 2.87Å
251	V	98.9	Very high	98.6	Very high	2 Å²	2	8.6 Å²	8.6	1%	0.012	5%	0.048	C	C	.	.	S	Bend	trans	-140.4	165.1	175.5	-59.9	0	0	0	0	110.7	P178 G249 T253 Q266 G564 L565 Q567 H568	P178-V251 HydrophobicContact CB-CG1 4.2Å; P178-V251 HydrophobicContact CG-CB 4.46Å; P178-V251 HydrophobicContact CG-CG1 3.98Å; G249-V251 PolarHBondContact O-N 2.99Å; V251-T253 PolarHBondContact O-N 2.99Å; V251-Q266 PolarHBondContact O-OE1 2.96Å; V251-G564 VanDerWaalsContact CG2-O 3.23Å; V251-G564 WeakPolarHBondContact CG2-O 3.46Å; V251-L565 HydrophobicContact CG1-CD1 4.15Å; V251-Q567 HydrophobicContact CG2-CB 4.22Å; V251-H568 HydrophobicContact CB-CB 4.2Å; V251-H568 HydrophobicContact CG1-CB 4.21Å; V251-H568 HydrophobicContact CG2-CB 4.41Å
252	M	98.9	Very high	98.6	Very high	5 Å²	5	7.2 Å²	7.2	3%	0.025	4%	0.035	C	C	.	.			trans	-77.7	102.1	157.3	-173.3	177.4	-56	0	0	108.5	W286 V288 D289 P290 H569	M252-W286 WeakPolarHBondContact CE-O 3.46Å; M252-V288 HydrophobicContact CE-CG2 4.11Å; M252-V288 HydrophobicContact SD-CG2 4.28Å; M252-V288 PolarHBondContact SD-N 3.08Å; M252-D289 HydrophobicContact SD-CB 4.19Å; M252-P290 HydrophobicContact CG-CG 4.16Å; M252-P290 HydrophobicContact SD-CG 4.48Å; M252-H569 PolarHBondContact O-N 2.8Å; M252-H569 PolarHBondContact O-ND1 2.82Å
253	T	98.6	Very high	98.7	Very high	4 Å²	4	6 Å²	6	3%	0.025	3%	0.029	C	C	.	.	B	Isolated β-bridge	trans	-72.8	148.2	-169	-154.9	0	0	0	0	112.6	V251 M263 P290 M297 Q567	V251-T253 PolarHBondContact O-N 2.99Å; T253-M263 HydrophobicContact CG2-CE 4.07Å; T253-M263 HydrophobicContact CG2-CG 4.4Å; T253-P290 WeakPolarHBondContact O-CG 3.49Å; T253-M297 HydrophobicContact CG2-CE 3.15Å; T253-Q567 CarbonylContact C-O 3.42Å; T253-Q567 VanDerWaalsContact CA-O 3.24Å; T253-Q567 WeakPolarHBondContact CA-O 3.1Å; T253-Q567 VanDerWaalsContact OG1-CB 3.25Å; T253-Q567 WeakPolarHBondContact OG1-CB 3.48Å; T253-Q567 PolarHBondContact OG1-O 3.36Å
254	D	98.9	Very high	98.7	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.03	C	C	.	.			trans	-60.4	140.6	160.4	177.6	29.7	0	0	0	110.4	A256 N257 A258 Q567 H569 I572 T573	D254-A256 PolarHBondContact OD1-N 3.36Å; D254-N257 WeakPolarHBondContact OD2-CA 3.29Å; D254-N257 WeakPolarHBondContact OD2-CB 3.47Å; D254-N257 PolarHBondContact OD2-N 2.93Å; D254-N257 PolarHBondContact OD2-ND2 3.45Å; D254-A258 WeakPolarHBondContact O-CB 3.34Å; D254-Q567 PolarHBondContact N-O 3.02Å; D254-H569 HydrophobicContact CB-CB 4.47Å; D254-I572 HydrophobicContact CB-CG2 3.61Å; D254-T573 HydrophobicContact CB-CG2 3.73Å; D254-T573 WeakPolarHBondContact OD2-CG2 3.48Å
255	E	98.9	Very high	98.6	Very high	1 Å²	1	5.3 Å²	5.3	1%	0.005	3%	0.026	C	C	.	.	S	Bend	trans	-105.7	-4.3	-179.7	-66.6	-171.5	-134.8	0	0	113.4	P290 H293 S294 M297 F494 N904	E255-P290 HydrophobicContact CB-CB 4.4Å; E255-P290 HydrophobicContact CG-CB 4.06Å; E255-P290 HydrophobicContact CG-CG 4.34Å; E255-H293 IonicContact OE1-CE1 3.86Å; E255-H293 IonicContact OE1-CG 2.65Å; E255-H293 IonicContact OE1-ND1 3.75Å; E255-H293 PolarHBondContact OE1-ND1 3.41Å; E255-H293 WeakPolarHBondContact OE2-CA 3.42Å; E255-H293 IonicContact OE2-ND1 2.94Å; E255-S294 VanDerWaalsContact O-CB 3.29Å; E255-S294 WeakPolarHBondContact O-CB 3.08Å; E255-S294 PolarHBondContact OE2-N 3.49Å; E255-M297 HydrophobicContact CG-CB 4.5Å; E255-M297 HydrophobicContact CG-CE 4.45Å; E255-F494 HydrophobicContact CB-CZ 4.3Å; E255-N904 PolarHBondContact O-ND2 3.01Å
256	A	98.8	Very high	98.6	Very high	2 Å²	2	5.2 Å²	5.2	2%	0.017	3%	0.025	C	C	.	.	S	Bend	trans	-98.3	-52.5	179.1	0	0	0	0	0	113.5	D254 F494 Y507 Y508 P925	D254-A256 PolarHBondContact OD1-N 3.36Å; A256-F494 HydrophobicContact CB-CE1 3.88Å; A256-F494 HydrophobicContact CB-CE2 4.4Å; A256-F494 HydrophobicContact CB-CZ 3.69Å; A256-Y507 HydrophobicContact CB-CE2 3.74Å; A256-Y507 WeakPolarHBondContact CB-OH 3.28Å; A256-Y508 HydrophobicContact CB-CD1 3.96Å; A256-Y508 HydrophobicContact CB-CE1 3.66Å; A256-P925 HydrophobicContact CB-CB 3.94Å; A256-P925 HydrophobicContact CB-CG 4.12Å
257	N	98.8	Very high	98.6	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.025	C	C	.	.	S	Bend	trans	-95.8	-22.3	-171.8	-52.3	-78.4	0	0	0	112.9	D254 Y507 Y508 K515 R519 I572 A946	D254-N257 WeakPolarHBondContact OD2-CA 3.29Å; D254-N257 WeakPolarHBondContact OD2-CB 3.47Å; D254-N257 PolarHBondContact OD2-N 2.93Å; D254-N257 PolarHBondContact OD2-ND2 3.45Å; N257-Y507 WeakPolarHBondContact ND2-CD2 3.32Å; N257-Y507 WeakPolarHBondContact ND2-CE2 3.47Å; N257-Y508 WeakPolarHBondContact OD1-CA 3.4Å; N257-Y508 PolarHBondContact OD1-O 3.39Å; N257-K515 WeakPolarHBondContact OD1-CE 3.19Å; N257-R519 PolarHBondContact O-NH2 3Å; N257-I572 HydrophobicContact CB-CD1 4.06Å; N257-I572 HydrophobicContact CB-CG1 4.03Å; N257-I572 WeakPolarHBondContact O-CD1 3.15Å; N257-A946 HydrophobicContact CB-CB 3.65Å
258	A	98.6	Very high	98.6	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	2%	0.022	C	C	.	.			trans	-65	138.7	-179.5	0	0	0	0	0	110.9	D254 M263 N904	D254-A258 WeakPolarHBondContact O-CB 3.34Å; A258-M263 HydrophobicContact CB-CG 3.75Å; A258-M263 HydrophobicContact CB-SD 4.24Å; A258-N904 VanDerWaalsContact O-CA 3.3Å; A258-N904 WeakPolarHBondContact O-CA 3.31Å; A258-N904 WeakPolarHBondContact O-CB 3.24Å; A258-N904 PolarHBondContact O-ND2 3.45Å
259	H	98.7	Very high	98.6	Very high	27 Å²	27	5.1 Å²	5.1	13%	0.125	2%	0.024	C	C	.	.			trans	-89.4	146.3	171.7	-177.9	-100.2	0	0	0	110.4	F261 A262 M263 E522 N904	H259-F261 WeakPolarHBondContact ND1-CB 3.27Å; H259-F261 PolarHBondContact ND1-N 2.62Å; H259-F261 PolarHBondContact O-N 3.42Å; H259-F261 VanDerWaalsContact O-N 3.11Å; H259-A262 PolarHBondContact O-N 3.12Å; H259-M263 WeakPolarHBondContact O-CG 3.15Å; H259-M263 PolarHBondContact O-N 3.06Å; H259-E522 IonicContact CG-OE2 2.74Å; H259-E522 IonicContact ND1-OE2 2.81Å; H259-N904 CarbonylContact C-O 3.55Å; H259-N904 WeakPolarHBondContact CA-O 3.38Å; H259-N904 PolarHBondContact CD2-O 2.77Å
260	Y	98.6	Very high	98.6	Very high	10 Å²	10	5.1 Å²	5.1	4%	0.039	2%	0.024	C	C	.	.	H	α-helix	trans	-60.4	-27.1	-172.5	77.3	-72.6	0	0	0	113.3	M263 I264 N904 G905 Y906 H1054 L1056 H1079 I1144	Y260-M263 PolarHBondContact O-N 3.29Å; Y260-I264 HydrophobicContact CD2-CD1 3.98Å; Y260-I264 WeakPolarHBondContact O-CB 3.44Å; Y260-I264 WeakPolarHBondContact O-CD1 3.49Å; Y260-I264 WeakPolarHBondContact O-CG1 3.37Å; Y260-I264 PolarHBondContact O-N 2.89Å; Y260-N904 WeakPolarHBondContact CD1-O 3.37Å; Y260-N904 PolarHBondContact N-O 2.98Å; Y260-G905 VanDerWaalsContact CE1-O 3.31Å; Y260-G905 WeakPolarHBondContact CE1-O 3.42Å; Y260-Y906 HydrophobicContact CD2-CD2 4.32Å; Y260-Y906 HydrophobicContact CE2-CD2 4.49Å; Y260-H1054 PolarHBondContact OH-CD2 3.29Å; Y260-L1056 HydrophobicContact CD2-CD2 4.2Å; Y260-L1056 HydrophobicContact CE2-CD1 4.18Å; Y260-L1056 HydrophobicContact CE2-CD2 3.17Å; Y260-L1056 HydrophobicContact CE2-CG 4.29Å; Y260-L1056 VanDerWaalsContact CZ-CD2 3.42Å; Y260-L1056 WeakPolarHBondContact OH-CD2 3.39Å; Y260-H1079 AromaticContact CE2-ND1 3.81Å; Y260-H1079 AromaticContact CZ-ND1 3.83Å; Y260-H1079 PolarHBondContact OH-ND1 3.23Å; Y260-I1144 HydrophobicContact CD2-CD1 4.03Å; Y260-I1144 HydrophobicContact CE2-CD1 4.15Å
261	F	98.5	Very high	98.6	Very high	15 Å²	15	4.4 Å²	4.4	7%	0.066	2%	0.021	C	C	.	.	H	α-helix	trans	-55.9	-56.9	169.9	173	-95.8	0	0	0	111.5	H259 M263 I264 D265 E522 L525 R526 N1057	H259-F261 WeakPolarHBondContact ND1-CB 3.27Å; H259-F261 PolarHBondContact ND1-N 2.62Å; H259-F261 PolarHBondContact O-N 3.42Å; H259-F261 VanDerWaalsContact O-N 3.11Å; F261-M263 PolarHBondContact O-N 3.04Å; F261-I264 PolarHBondContact O-N 3.12Å; F261-D265 WeakPolarHBondContact O-CB 3.45Å; F261-D265 PolarHBondContact O-N 3.08Å; F261-E522 HydrophobicContact CD1-CB 3.89Å; F261-E522 HydrophobicContact CD1-CG 3.99Å; F261-E522 WeakPolarHBondContact CD1-OE2 3.15Å; F261-E522 HydrophobicContact CE1-CB 4.07Å; F261-E522 HydrophobicContact CE1-CG 4.34Å; F261-L525 HydrophobicContact CE1-CD2 4.3Å; F261-L525 HydrophobicContact CZ-CD2 4.49Å; F261-L525 HydrophobicContact CZ-CG 4.38Å; F261-R526 HydrophobicContact CE2-CB 3.78Å; F261-R526 HydrophobicContact CE2-CG 4.13Å; F261-R526 HydrophobicContact CZ-CB 3.74Å; F261-N1057 HydrophobicContact CE2-CB 4.3Å
262	A	98.5	Very high	98.4	Very high	1 Å²	1	5.8 Å²	5.8	1%	0.008	3%	0.028	C	C	.	.	H	α-helix	trans	-68.1	-33.4	-179.9	0	0	0	0	0	112.9	H259 I264 D265 Q266 E522 V563 Q567	H259-A262 PolarHBondContact O-N 3.12Å; A262-I264 VanDerWaalsContact C-N 3.34Å; A262-I264 PolarHBondContact O-N 2.75Å; A262-D265 PolarHBondContact O-N 2.85Å; A262-Q266 WeakPolarHBondContact O-CB 3.32Å; A262-Q266 VanDerWaalsContact O-CG 3.3Å; A262-Q266 WeakPolarHBondContact O-CG 3.41Å; A262-Q266 PolarHBondContact O-N 3.15Å; A262-E522 HydrophobicContact CB-CG 4.04Å; A262-V563 HydrophobicContact CB-CG1 4.09Å; A262-Q567 HydrophobicContact CB-CG 3.74Å
263	M	98.8	Very high	98.3	Very high	1 Å²	1	5.9 Å²	5.9	1%	0.005	3%	0.028	C	C	.	.	H	α-helix	trans	-60.9	-42.4	173.9	-64.3	174	77	0	0	111.9	T253 A258 H259 Y260 F261 Q266 L267 T296 M297 L300 N904	T253-M263 HydrophobicContact CG2-CE 4.07Å; T253-M263 HydrophobicContact CG2-CG 4.4Å; A258-M263 HydrophobicContact CB-CG 3.75Å; A258-M263 HydrophobicContact CB-SD 4.24Å; H259-M263 WeakPolarHBondContact O-CG 3.15Å; H259-M263 PolarHBondContact O-N 3.06Å; Y260-M263 PolarHBondContact O-N 3.29Å; F261-M263 PolarHBondContact O-N 3.04Å; M263-Q266 WeakPolarHBondContact O-CG 3.42Å; M263-Q266 PolarHBondContact O-NE2 2.93Å; M263-Q266 VanDerWaalsContact O-NE2 3.16Å; M263-L267 WeakPolarHBondContact O-CB 3.41Å; M263-L267 PolarHBondContact O-N 3.49Å; M263-T296 HydrophobicContact CE-CG2 4.32Å; M263-T296 HydrophobicContact SD-CG2 4.24Å; M263-M297 HydrophobicContact CE-CB 4.48Å; M263-M297 HydrophobicContact CE-CE 3.73Å; M263-L300 HydrophobicContact CB-CD1 3.76Å; M263-L300 HydrophobicContact CE-CD1 4.14Å; M263-L300 HydrophobicContact SD-CD1 4.43Å; M263-N904 HydrophobicContact SD-CB 3.72Å
264	I	98.8	Very high	98.2	Very high	5 Å²	5	5.7 Å²	5.7	3%	0.026	3%	0.026	C	C	.	.	H	α-helix	trans	-68.6	-45.9	175.2	-69	165.7	0	0	0	110.2	Y260 F261 A262 Q266 L267 I268 L300 L1056 L1077 L1122 I1144	Y260-I264 HydrophobicContact CD2-CD1 3.98Å; Y260-I264 WeakPolarHBondContact O-CB 3.44Å; Y260-I264 WeakPolarHBondContact O-CD1 3.49Å; Y260-I264 WeakPolarHBondContact O-CG1 3.37Å; Y260-I264 PolarHBondContact O-N 2.89Å; F261-I264 PolarHBondContact O-N 3.12Å; A262-I264 VanDerWaalsContact C-N 3.34Å; A262-I264 PolarHBondContact O-N 2.75Å; I264-Q266 PolarHBondContact O-N 3.34Å; I264-L267 PolarHBondContact O-N 3.1Å; I264-I268 HydrophobicContact CG2-CD1 3.6Å; I264-I268 HydrophobicContact CG2-CG1 4.22Å; I264-I268 WeakPolarHBondContact O-CG1 3.26Å; I264-I268 PolarHBondContact O-N 2.92Å; I264-L300 HydrophobicContact CD1-CD2 3.91Å; I264-L300 HydrophobicContact CG1-CD1 4.08Å; I264-L300 HydrophobicContact CG1-CD2 3.71Å; I264-L300 HydrophobicContact CG1-CG 4.48Å; I264-L1056 HydrophobicContact CD1-CD1 4.32Å; I264-L1077 HydrophobicContact CG2-CD2 4.01Å; I264-L1122 HydrophobicContact CD1-CD1 4.28Å; I264-L1122 HydrophobicContact CG1-CD1 4.45Å; I264-L1122 HydrophobicContact CG1-CD2 4.24Å; I264-L1122 HydrophobicContact CG2-CD1 4.12Å; I264-L1122 HydrophobicContact CG2-CG 4.35Å; I264-I1144 HydrophobicContact CD1-CD1 3.88Å
265	D	98.4	Very high	98	Very high	3 Å²	3	9.3 Å²	9.3	2%	0.016	4%	0.043	C	C	.	.	H	α-helix	trans	-63.7	-43.5	-174	-159.3	73.2	0	0	0	112.3	F261 A262 L267 I268 E269 R1059	F261-D265 WeakPolarHBondContact O-CB 3.45Å; F261-D265 PolarHBondContact O-N 3.08Å; A262-D265 PolarHBondContact O-N 2.85Å; D265-L267 VanDerWaalsContact C-N 3.3Å; D265-L267 PolarHBondContact O-N 3.28Å; D265-I268 PolarHBondContact O-N 3.17Å; D265-E269 PolarHBondContact O-N 2.03Å; D265-R1059 IonicContact OD1-CZ 3.91Å; D265-R1059 IonicContact OD1-NH1 2.87Å; D265-R1059 PolarHBondContact OD1-NH1 2.92Å; D265-R1059 IonicContact OD2-NH1 3.29Å
266	Q	98.6	Very high	97.7	Very high	3 Å²	3	12.5 Å²	12.5	1%	0.014	6%	0.056	C	C	.	.	H	α-helix	trans	-67.3	-31.2	176.1	75.4	74.6	34	0	0	112.6	W250 V251 A262 M263 I264 G270	W250-Q266 HydrophobicContact CB-CB 4.13Å; W250-Q266 PolarHBondContact N-O 3.36Å; W250-Q266 VanDerWaalsContact N-O 3.12Å; V251-Q266 PolarHBondContact O-OE1 2.96Å; A262-Q266 WeakPolarHBondContact O-CB 3.32Å; A262-Q266 VanDerWaalsContact O-CG 3.3Å; A262-Q266 WeakPolarHBondContact O-CG 3.41Å; A262-Q266 PolarHBondContact O-N 3.15Å; M263-Q266 WeakPolarHBondContact O-CG 3.42Å; M263-Q266 PolarHBondContact O-NE2 2.93Å; M263-Q266 VanDerWaalsContact O-NE2 3.16Å; I264-Q266 PolarHBondContact O-N 3.34Å; Q266-G270 PolarHBondContact O-N 3.4Å; Q266-G270 VanDerWaalsContact O-N 3.11Å
267	L	98.6	Very high	97.4	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.01	6%	0.062	C	C	.	.	H	α-helix	trans	-72	-43.2	176.3	-167.7	67.5	0	0	0	110.5	T247 M263 I264 D265 E269 G270 H271 L301 A304 T1123	T247-L267 HydrophobicContact CG2-CD1 4.34Å; M263-L267 WeakPolarHBondContact O-CB 3.41Å; M263-L267 PolarHBondContact O-N 3.49Å; I264-L267 PolarHBondContact O-N 3.1Å; D265-L267 VanDerWaalsContact C-N 3.3Å; D265-L267 PolarHBondContact O-N 3.28Å; L267-E269 PolarHBondContact O-N 3.2Å; L267-G270 PolarHBondContact O-N 3.37Å; L267-H271 VanDerWaalsContact CD1-NE2 3.32Å; L267-H271 WeakPolarHBondContact CD1-NE2 3.44Å; L267-H271 VanDerWaalsContact O-CB 3.26Å; L267-H271 WeakPolarHBondContact O-CB 3.16Å; L267-H271 PolarHBondContact O-CD2 3.39Å; L267-H271 PolarHBondContact O-N 2.67Å; L267-L301 HydrophobicContact CD2-CD2 4.41Å; L267-A304 HydrophobicContact CD2-CB 4.2Å; L267-T1123 HydrophobicContact CB-CG2 4.2Å; L267-T1123 HydrophobicContact CD2-CG2 3.58Å; L267-T1123 HydrophobicContact CG-CG2 3.6Å
268	I	98.4	Very high	97.2	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.01	7%	0.065	C	C	.	.	H	α-helix	trans	-58.1	-47.6	172.2	-68.9	165.2	0	0	0	110.3	I264 D265 G270 H271 Q272 L1077 T1123 L1124	I264-I268 HydrophobicContact CG2-CD1 3.6Å; I264-I268 HydrophobicContact CG2-CG1 4.22Å; I264-I268 WeakPolarHBondContact O-CG1 3.26Å; I264-I268 PolarHBondContact O-N 2.92Å; D265-I268 PolarHBondContact O-N 3.17Å; I268-G270 PolarHBondContact O-N 3.4Å; I268-H271 PolarHBondContact O-N 3.11Å; I268-Q272 HydrophobicContact CG2-CG 3.91Å; I268-Q272 VanDerWaalsContact O-CB 3.26Å; I268-Q272 WeakPolarHBondContact O-CB 3.3Å; I268-Q272 VanDerWaalsContact O-CG 3.25Å; I268-Q272 WeakPolarHBondContact O-CG 3.34Å; I268-Q272 PolarHBondContact O-N 3.35Å; I268-L1077 HydrophobicContact CD1-CD2 3.97Å; I268-T1123 HydrophobicContact CG1-CG2 4.39Å; I268-L1124 HydrophobicContact CG2-CD1 4.5Å
269	E	98	Very high	97	Very high	8 Å²	8	17.2 Å²	17.2	4%	0.037	10%	0.095	C	C	.	.	H	α-helix	trans	-60.2	-46.1	-178.4	-175.3	63.2	-157	0	0	111.6	W250 D265 L267 W273 R561 R1059	W250-E269 HydrophobicContact CD2-CG 4.29Å; W250-E269 HydrophobicContact CE3-CG 3.97Å; W250-E269 HydrophobicContact CZ3-CG 4.4Å; D265-E269 PolarHBondContact O-N 2.03Å; L267-E269 PolarHBondContact O-N 3.2Å; E269-W273 WeakPolarHBondContact O-CB 2.96Å; E269-W273 PolarHBondContact O-N 2.97Å; E269-W273 VanDerWaalsContact O-N 3.1Å; E269-R561 HydrophobicContact CG-CG 3.95Å; E269-R561 IonicContact OE1-CZ 2.75Å; E269-R561 IonicContact OE1-NE 3.71Å; E269-R561 PolarHBondContact OE1-NE 3.1Å; E269-R561 IonicContact OE1-NH2 3.16Å; E269-R1059 IonicContact OE2-NH2 3.59Å
270	G	98.3	Very high	96.8	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-63.8	-48.4	175.7	0	0	0	0	0	112.9	G248 Q266 L267 I268 W273 L274	G248-G270 CarbonylContact O-C 3.4Å; G248-G270 VanDerWaalsContact O-CA 3.23Å; G248-G270 WeakPolarHBondContact O-CA 3.43Å; Q266-G270 PolarHBondContact O-N 3.4Å; Q266-G270 VanDerWaalsContact O-N 3.11Å; L267-G270 PolarHBondContact O-N 3.37Å; I268-G270 PolarHBondContact O-N 3.4Å; G270-W273 WeakPolarHBondContact O-CB 2.96Å; G270-W273 PolarHBondContact O-N 2.67Å; G270-L274 WeakPolarHBondContact O-CG 3.41Å; G270-L274 PolarHBondContact O-N 2.5Å
271	H	98.2	Very high	96.7	Very high	1 Å²	1	19 Å²	19	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-63.5	-45	-178.9	-80.2	-138.9	0	0	0	112.8	T247 G248 L267 I268 W273 L274 E275 T1123 M1125	T247-H271 PolarHBondContact O-NE2 3.32Å; G248-H271 PolarHBondContact O-CD2 2.75Å; G248-H271 PolarHBondContact O-N 2.75Å; L267-H271 VanDerWaalsContact CD1-NE2 3.32Å; L267-H271 WeakPolarHBondContact CD1-NE2 3.44Å; L267-H271 VanDerWaalsContact O-CB 3.26Å; L267-H271 WeakPolarHBondContact O-CB 3.16Å; L267-H271 PolarHBondContact O-CD2 3.39Å; L267-H271 PolarHBondContact O-N 2.67Å; I268-H271 PolarHBondContact O-N 3.11Å; H271-W273 VanDerWaalsContact C-N 3.29Å; H271-W273 PolarHBondContact O-N 2.89Å; H271-L274 WeakPolarHBondContact O-CB 3.42Å; H271-L274 PolarHBondContact O-N 3.09Å; H271-E275 PolarHBondContact O-N 2.9Å; H271-T1123 HydrophobicContact CB-CG2 4.48Å; H271-T1123 WeakPolarHBondContact ND1-CB 3.34Å; H271-T1123 PolarHBondContact ND1-OG1 3.19Å; H271-M1125 HydrophobicContact CB-CE 4.31Å; H271-M1125 HydrophobicContact CB-CG 3.89Å; H271-M1125 HydrophobicContact CB-SD 3.6Å; H271-M1125 VanDerWaalsContact CB-SD 3.6Å; H271-M1125 VanDerWaalsContact CG-SD 3.59Å; H271-M1125 PolarHBondContact ND1-SD 3.47Å; H271-M1125 WeakPolarHBondContact O-CE 3.42Å
272	Q	95.3	Very high	96.6	Very high	32 Å²	32	18.6 Å²	18.6	15%	0.15	11%	0.106	C	C	.	.	H	α-helix	trans	-65.8	-35	177.4	-71.2	-67.3	-62.4	0	0	111.4	I268 E275 R276 T1123	I268-Q272 HydrophobicContact CG2-CG 3.91Å; I268-Q272 VanDerWaalsContact O-CB 3.26Å; I268-Q272 WeakPolarHBondContact O-CB 3.3Å; I268-Q272 VanDerWaalsContact O-CG 3.25Å; I268-Q272 WeakPolarHBondContact O-CG 3.34Å; I268-Q272 PolarHBondContact O-N 3.35Å; Q272-E275 PolarHBondContact NE2-OE2 2.93Å; Q272-E275 VanDerWaalsContact NE2-OE2 3.13Å; Q272-R276 VanDerWaalsContact O-CB 3.3Å; Q272-R276 WeakPolarHBondContact O-CB 3.12Å; Q272-R276 PolarHBondContact O-N 2.77Å; Q272-R276 VanDerWaalsContact O-N 3.1Å; Q272-T1123 PolarHBondContact NE2-O 3.27Å
273	W	96.3	Very high	96.5	Very high	6 Å²	6	21.7 Å²	21.7	2%	0.023	12%	0.121	C	C	.	.	H	α-helix	trans	-63.1	-44.3	172	-171.3	98.6	0	0	0	111.4	I216 F219 A220 W223 E269 G270 H271 N277 L278	I216-W273 HydrophobicContact CG2-CB 4.29Å; I216-W273 HydrophobicContact CG2-CD2 4.05Å; I216-W273 HydrophobicContact CG2-CE3 3.72Å; I216-W273 HydrophobicContact CG2-CG 4.29Å; F219-W273 AromaticContact CD1-CH2 3.37Å; F219-W273 HydrophobicContact CD1-CH2 3.37Å; F219-W273 HydrophobicContact CD1-CZ2 4.44Å; F219-W273 AromaticContact CD1-CZ3 3.43Å; F219-W273 HydrophobicContact CD1-CZ3 3.43Å; F219-W273 VanDerWaalsContact CD1-CZ3 3.43Å; F219-W273 AromaticContact CE1-CH2 3.6Å; F219-W273 HydrophobicContact CE1-CH2 3.6Å; F219-W273 AromaticContact CE1-CZ3 3.73Å; F219-W273 HydrophobicContact CE1-CZ3 3.73Å; A220-W273 HydrophobicContact CB-CD2 4.1Å; A220-W273 HydrophobicContact CB-CG 4.39Å; A220-W273 HydrophobicContact CB-CZ2 3.98Å; W223-W273 HydrophobicContact CB-CH2 3.91Å; W223-W273 HydrophobicContact CB-CZ2 3.61Å; W223-W273 AromaticContact CD1-CZ2 3.85Å; W223-W273 AromaticContact CD2-CH2 3.97Å; W223-W273 HydrophobicContact CD2-CH2 3.97Å; W223-W273 HydrophobicContact CD2-CZ2 4.21Å; W223-W273 HydrophobicContact CE3-CH2 4.27Å; W223-W273 AromaticContact CG-CH2 3.82Å; W223-W273 HydrophobicContact CG-CH2 3.82Å; W223-W273 AromaticContact CG-CZ2 3.6Å; W223-W273 HydrophobicContact CG-CZ2 3.6Å; E269-W273 WeakPolarHBondContact O-CB 2.96Å; E269-W273 PolarHBondContact O-N 2.97Å; E269-W273 VanDerWaalsContact O-N 3.1Å; G270-W273 WeakPolarHBondContact O-CB 2.96Å; G270-W273 PolarHBondContact O-N 2.67Å; H271-W273 VanDerWaalsContact C-N 3.29Å; H271-W273 PolarHBondContact O-N 2.89Å; W273-N277 HydrophobicContact CD2-CB 4.46Å; W273-N277 HydrophobicContact CE3-CB 4.46Å; W273-N277 HydrophobicContact CH2-CB 3.98Å; W273-N277 HydrophobicContact CZ2-CB 4.01Å; W273-N277 HydrophobicContact CZ3-CB 4.23Å; W273-N277 PolarHBondContact NE1-ND2 3.34Å; W273-N277 WeakPolarHBondContact O-CB 3.32Å; W273-N277 PolarHBondContact O-N 3.18Å; W273-N277 PolarHBondContact O-ND2 3.45Å; W273-L278 HydrophobicContact CZ3-CD1 3.96Å; W273-L278 HydrophobicContact CZ3-CG 4.16Å
274	L	97.4	Very high	96.4	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.8	-49	177.8	-69.2	171.8	0	0	0	112.3	I216 I245 G270 H271 R276 L278 G279 I280 P282	I216-L274 HydrophobicContact CD1-CD1 4.15Å; I216-L274 HydrophobicContact CD1-CD2 3.75Å; I216-L274 HydrophobicContact CD1-CG 4.18Å; I216-L274 HydrophobicContact CG1-CD1 4.22Å; I216-L274 HydrophobicContact CG1-CD2 4.39Å; I216-L274 HydrophobicContact CG1-CG 4.31Å; I245-L274 HydrophobicContact CG1-CD2 4.25Å; I245-L274 HydrophobicContact CG2-CD1 3.8Å; I245-L274 HydrophobicContact CG2-CD2 4.04Å; G270-L274 WeakPolarHBondContact O-CG 3.41Å; G270-L274 PolarHBondContact O-N 2.5Å; H271-L274 WeakPolarHBondContact O-CB 3.42Å; H271-L274 PolarHBondContact O-N 3.09Å; L274-R276 VanDerWaalsContact C-N 3.32Å; L274-R276 PolarHBondContact O-N 2.91Å; L274-L278 HydrophobicContact CD2-CD1 3.73Å; L274-L278 CarbonylContact O-C 3.49Å; L274-L278 WeakPolarHBondContact O-CA 3.48Å; L274-L278 WeakPolarHBondContact O-CB 3.42Å; L274-L278 PolarHBondContact O-N 3.13Å; L274-G279 PolarHBondContact O-N 3.14Å; L274-I280 HydrophobicContact CB-CG1 4.22Å; L274-I280 HydrophobicContact CD2-CD1 4.18Å; L274-I280 HydrophobicContact CD2-CG1 4.4Å; L274-P282 HydrophobicContact CD1-CG 3.79Å
275	E	93.9	Very high	96.3	Very high	76 Å²	76	21.6 Å²	21.6	36%	0.355	12%	0.12	S	C	.	.	H	α-helix	trans	-56.7	-47.7	178.7	-174.2	175.6	-162.3	0	0	110.9	H271 Q272 G279 M1125	H271-E275 PolarHBondContact O-N 2.9Å; Q272-E275 PolarHBondContact NE2-OE2 2.93Å; Q272-E275 VanDerWaalsContact NE2-OE2 3.13Å; E275-G279 VanDerWaalsContact O-CA 3.29Å; E275-G279 WeakPolarHBondContact O-CA 3.15Å; E275-G279 PolarHBondContact O-N 2.85Å; E275-G279 VanDerWaalsContact O-N 3.1Å; E275-M1125 HydrophobicContact CB-CE 3.83Å
276	R	91.7	Very high	96.4	Very high	69 Å²	69	21.8 Å²	21.8	26%	0.26	12%	0.121	S	C	.	.	H	α-helix	trans	-68.6	-46.5	-176.6	-176.4	-173.5	68.8	-178.8	3.6	113.4	Q272 L274	Q272-R276 VanDerWaalsContact O-CB 3.3Å; Q272-R276 WeakPolarHBondContact O-CB 3.12Å; Q272-R276 PolarHBondContact O-N 2.77Å; Q272-R276 VanDerWaalsContact O-N 3.1Å; L274-R276 VanDerWaalsContact C-N 3.32Å; L274-R276 PolarHBondContact O-N 2.91Å
277	N	93.1	Very high	96.4	Very high	29 Å²	29	22 Å²	22	16%	0.155	12%	0.124	C	C	.	.	H	α-helix	trans	-91.4	-29.3	-169.4	-63.6	-84.5	0	0	0	112.6	R235 W273	R235-N277 PolarHBondContact NH2-O 3.1Å; W273-N277 HydrophobicContact CD2-CB 4.46Å; W273-N277 HydrophobicContact CE3-CB 4.46Å; W273-N277 HydrophobicContact CH2-CB 3.98Å; W273-N277 HydrophobicContact CZ2-CB 4.01Å; W273-N277 HydrophobicContact CZ3-CB 4.23Å; W273-N277 PolarHBondContact NE1-ND2 3.34Å; W273-N277 WeakPolarHBondContact O-CB 3.32Å; W273-N277 PolarHBondContact O-N 3.18Å; W273-N277 PolarHBondContact O-ND2 3.45Å
278	L	94.7	Very high	96.4	Very high	10 Å²	10	22 Å²	22	5%	0.052	12%	0.123	C	C	.	.	H	α-helix	trans	-121.3	-22.3	-172.1	-56.6	179.4	0	0	0	113.7	F219 W223 I238 W273 L274 I280	F219-L278 HydrophobicContact CE1-CD1 3.83Å; F219-L278 HydrophobicContact CE1-CD2 4.41Å; F219-L278 HydrophobicContact CZ-CD1 4.25Å; W223-L278 HydrophobicContact CE3-CD2 4.27Å; W223-L278 HydrophobicContact CH2-CD2 3.48Å; W223-L278 VanDerWaalsContact CH2-CD2 3.48Å; W223-L278 HydrophobicContact CZ2-CD2 4.17Å; W223-L278 HydrophobicContact CZ3-CD2 3.55Å; I238-L278 HydrophobicContact CD1-CD1 3.75Å; I238-L278 HydrophobicContact CD1-CD2 4.38Å; W273-L278 HydrophobicContact CZ3-CD1 3.96Å; W273-L278 HydrophobicContact CZ3-CG 4.16Å; L274-L278 HydrophobicContact CD2-CD1 3.73Å; L274-L278 CarbonylContact O-C 3.49Å; L274-L278 WeakPolarHBondContact O-CA 3.48Å; L274-L278 WeakPolarHBondContact O-CB 3.42Å; L274-L278 PolarHBondContact O-N 3.13Å; L278-I280 HydrophobicContact CB-CD1 4.33Å; L278-I280 HydrophobicContact CB-CG1 4.08Å; L278-I280 HydrophobicContact CB-CG2 4.31Å; L278-I280 HydrophobicContact CD1-CD1 4.02Å
279	G	93.7	Very high	96.4	Very high	61 Å²	61	22.2 Å²	22.2	63%	0.629	13%	0.125	S	C	*	.			trans	70.1	30.9	-178.9	0	0	0	0	0	113.8	L274 E275	L274-G279 PolarHBondContact O-N 3.14Å; E275-G279 VanDerWaalsContact O-CA 3.29Å; E275-G279 WeakPolarHBondContact O-CA 3.15Å; E275-G279 PolarHBondContact O-N 2.85Å; E275-G279 VanDerWaalsContact O-N 3.1Å
280	I	96.1	Very high	96.4	Very high	27 Å²	27	21.9 Å²	21.9	14%	0.138	12%	0.123	C	C	.	.			trans	-121	160.3	-177	71.3	175.6	0	0	0	111.9	I238 L239 I245 L274 L278 M1125	I238-I280 HydrophobicContact CG2-CD1 3.69Å; I238-I280 HydrophobicContact CG2-CG2 3.82Å; L239-I280 HydrophobicContact CD2-CG2 4.01Å; I245-I280 HydrophobicContact CB-CD1 3.97Å; I245-I280 HydrophobicContact CG1-CD1 3.57Å; L274-I280 HydrophobicContact CB-CG1 4.22Å; L274-I280 HydrophobicContact CD2-CD1 4.18Å; L274-I280 HydrophobicContact CD2-CG1 4.4Å; L278-I280 HydrophobicContact CB-CD1 4.33Å; L278-I280 HydrophobicContact CB-CG1 4.08Å; L278-I280 HydrophobicContact CB-CG2 4.31Å; L278-I280 HydrophobicContact CD1-CD1 4.02Å; I280-M1125 WeakPolarHBondContact O-CE 3.39Å
281	T	95.8	Very high	96.4	Very high	48 Å²	48	22 Å²	22	29%	0.294	12%	0.124	S	C	.	.			trans	-127.7	127.4	173.4	56.3	0	0	0	0	110.1	M1125	T281-M1125 HydrophobicContact CG2-CB 4.18Å; T281-M1125 HydrophobicContact CG2-CE 3.45Å; T281-M1125 VanDerWaalsContact CG2-CE 3.45Å; T281-M1125 HydrophobicContact CG2-SD 3.83Å
282	P	96.5	Very high	96.5	Very high	7 Å²	7	22 Å²	22	5%	0.045	12%	0.124	C	C	.	.			trans	-60	142.3	175	-22.1	32.8	0	0	0	112.5	L274	L274-P282 HydrophobicContact CD1-CG 3.79Å
283	Q	95.2	Very high	96.6	Very high	66 Å²	66	20.5 Å²	20.5	31%	0.308	12%	0.117	S	C	.	.			trans	-107.9	-26.2	-179.3	-62.8	-63.3	-27.4	0	0	113.2	V306 T307	Q283-V306 WeakPolarHBondContact O-CG1 3.48Å; Q283-T307 PolarHBondContact O-N 2.66Å; Q283-T307 PolarHBondContact O-OG1 3.46Å
284	S	97.2	Very high	96.7	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.014	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	140.3	-174.5	-57.5	0	0	0	0	111.4	T247 S308	T247-S284 PolarHBondContact N-O 3.09Å; S284-S308 CarbonylContact C-O 3.59Å; S284-S308 VanDerWaalsContact CA-O 3.27Å; S284-S308 WeakPolarHBondContact CA-O 3.43Å
285	G	98.2	Very high	96.7	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.01	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	146.9	170.1	0	0	0	0	0	112.7	S308 M309 L310 L464	G285-S308 PolarHBondContact N-O 2.9Å; G285-M309 CarbonylContact O-C 3.53Å; G285-M309 VanDerWaalsContact O-CA 3.28Å; G285-M309 WeakPolarHBondContact O-CA 3.44Å; G285-L310 PolarHBondContact O-N 3.5Å; G285-L464 WeakPolarHBondContact O-CD2 3.29Å
286	W	98.8	Very high	97	Very high	7 Å²	7	16.7 Å²	16.7	3%	0.027	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	111.5	178.5	177	-95.4	0	0	0	109.3	H173 I212 V246 T247 M252 V288 L310 P422 L464	H173-W286 AromaticContact CG-CZ2 3.97Å; I212-W286 HydrophobicContact CD1-CD2 3.87Å; I212-W286 HydrophobicContact CD1-CE3 3.88Å; I212-W286 HydrophobicContact CD1-CG 4.49Å; I212-W286 HydrophobicContact CD1-CH2 4.15Å; I212-W286 HydrophobicContact CD1-CZ2 4.12Å; I212-W286 HydrophobicContact CD1-CZ3 4.01Å; V246-W286 HydrophobicContact CB-CB 3.75Å; V246-W286 HydrophobicContact CG2-CB 3.47Å; V246-W286 VanDerWaalsContact CG2-CB 3.47Å; V246-W286 HydrophobicContact CG2-CG 3.85Å; T247-W286 PolarHBondContact OG1-N 3.18Å; T247-W286 PolarHBondContact OG1-O 3.14Å; T247-W286 VanDerWaalsContact OG1-O 3.13Å; M252-W286 WeakPolarHBondContact CE-O 3.46Å; W286-V288 HydrophobicContact CD2-CG1 3.94Å; W286-V288 HydrophobicContact CE3-CG1 4.38Å; W286-V288 HydrophobicContact CH2-CG1 3.8Å; W286-V288 HydrophobicContact CZ2-CB 4.36Å; W286-V288 HydrophobicContact CZ2-CG1 3.29Å; W286-V288 HydrophobicContact CZ2-CG2 4.22Å; W286-V288 HydrophobicContact CZ3-CG1 4.33Å; W286-L310 HydrophobicContact CD2-CD2 4.29Å; W286-L310 HydrophobicContact CE3-CB 4.27Å; W286-L310 HydrophobicContact CE3-CD1 4.11Å; W286-L310 HydrophobicContact CE3-CD2 3.66Å; W286-L310 HydrophobicContact CE3-CG 4.24Å; W286-L310 HydrophobicContact CH2-CD2 4.26Å; W286-L310 HydrophobicContact CZ3-CD1 3.7Å; W286-L310 HydrophobicContact CZ3-CD2 3.66Å; W286-L310 HydrophobicContact CZ3-CG 4.22Å; W286-P422 HydrophobicContact CH2-CB 4.05Å; W286-P422 HydrophobicContact CH2-CG 3.98Å; W286-L464 HydrophobicContact CB-CD2 4.41Å; W286-L464 HydrophobicContact CE3-CD2 4.06Å
287	A	98.7	Very high	97.3	Very high	9 Å²	9	14.1 Å²	14.1	7%	0.074	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	81.9	-178.1	0	0	0	0	0	109.9	P290 H293 L310 I311	A287-P290 HydrophobicContact CB-CG 4.24Å; A287-H293 PolarHBondContact O-CE1 2.63Å; A287-L310 PolarHBondContact N-O 3.28Å; A287-I311 WeakPolarHBondContact O-CA 3.38Å
288	V	98.7	Very high	97.5	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	8%	0.083	C	C	.	.	S	Bend	trans	-91.5	-19.3	-175.3	-68.4	0	0	0	0	114.8	M252 W286 L310 Q312 M349 Y354	M252-V288 HydrophobicContact CE-CG2 4.11Å; M252-V288 HydrophobicContact SD-CG2 4.28Å; M252-V288 PolarHBondContact SD-N 3.08Å; W286-V288 HydrophobicContact CD2-CG1 3.94Å; W286-V288 HydrophobicContact CE3-CG1 4.38Å; W286-V288 HydrophobicContact CH2-CG1 3.8Å; W286-V288 HydrophobicContact CZ2-CB 4.36Å; W286-V288 HydrophobicContact CZ2-CG1 3.29Å; W286-V288 HydrophobicContact CZ2-CG2 4.22Å; W286-V288 HydrophobicContact CZ3-CG1 4.33Å; V288-L310 HydrophobicContact CG1-CD2 3.67Å; V288-Q312 HydrophobicContact CB-CB 4.22Å; V288-Q312 HydrophobicContact CG1-CB 4.35Å; V288-Q312 WeakPolarHBondContact O-CB 3.14Å; V288-M349 HydrophobicContact CG1-SD 4.16Å; V288-Y354 HydrophobicContact CB-CD1 3.82Å; V288-Y354 HydrophobicContact CB-CG 4.03Å; V288-Y354 HydrophobicContact CG2-CD1 4.02Å; V288-Y354 HydrophobicContact CG2-CE1 4.42Å; V288-Y354 HydrophobicContact CG2-CG 4.11Å; V288-Y354 WeakPolarHBondContact O-CD1 3.2Å
289	D	98.7	Very high	97.7	Very high	8 Å²	8	12.2 Å²	12.2	4%	0.043	8%	0.081	C	C	.	.	S	Bend	trans	-123.4	-3.9	-169.6	-149.2	25.7	0	0	0	118	H175 M252 F291 R313 Y354 H569	H175-D289 IonicContact CD2-OD2 3.56Å; H175-D289 WeakPolarHBondContact CE1-CB 3.38Å; H175-D289 IonicContact CE1-OD2 2.82Å; H175-D289 WeakPolarHBondContact NE2-CB 3.25Å; H175-D289 IonicContact NE2-OD2 3.37Å; H175-D289 PolarHBondContact NE2-OD2 3.18Å; M252-D289 HydrophobicContact SD-CB 4.19Å; D289-F291 WeakPolarHBondContact O-CD1 3.29Å; D289-F291 WeakPolarHBondContact O-CE1 3.48Å; D289-F291 PolarHBondContact O-N 2.98Å; D289-R313 IonicContact OD1-CZ 2.94Å; D289-R313 IonicContact OD1-NE 2.72Å; D289-R313 PolarHBondContact OD1-NE 2.62Å; D289-R313 IonicContact OD1-NH2 3.5Å; D289-R313 PolarHBondContact OD1-NH2 2.77Å; D289-Y354 HydrophobicContact CB-CE1 4.05Å; D289-Y354 WeakPolarHBondContact OD1-CE1 3.38Å; D289-H569 IonicContact OD2-CD2 3.91Å; D289-H569 IonicContact OD2-NE2 3.12Å; D289-H569 PolarHBondContact OD2-NE2 2.77Å; D289-H569 VanDerWaalsContact OD2-NE2 3.15Å
290	P	98.8	Very high	98	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.051	C	C	.	.	S	Bend	trans	-59.2	138.7	165	-24.7	36	0	0	0	111.7	M252 T253 E255 A287 G292 R313	M252-P290 HydrophobicContact CG-CG 4.16Å; M252-P290 HydrophobicContact SD-CG 4.48Å; T253-P290 WeakPolarHBondContact O-CG 3.49Å; E255-P290 HydrophobicContact CB-CB 4.4Å; E255-P290 HydrophobicContact CG-CB 4.06Å; E255-P290 HydrophobicContact CG-CG 4.34Å; A287-P290 HydrophobicContact CB-CG 4.24Å; P290-G292 VanDerWaalsContact C-N 3.33Å; P290-G292 PolarHBondContact O-N 3.4Å; P290-R313 VanDerWaalsContact O-CB 3.26Å; P290-R313 WeakPolarHBondContact O-CB 3.21Å
291	F	98.6	Very high	98.1	Very high	4 Å²	4	8.2 Å²	8.2	2%	0.018	5%	0.045	C	C	.	.	S	Bend	trans	-86.3	69.1	-170.4	-39.8	-44.4	0	0	0	112.6	D289 Y496 W504 Y507 H569 T573 T575 Y815	D289-F291 WeakPolarHBondContact O-CD1 3.29Å; D289-F291 WeakPolarHBondContact O-CE1 3.48Å; D289-F291 PolarHBondContact O-N 2.98Å; F291-Y496 HydrophobicContact CB-CD1 4.24Å; F291-W504 HydrophobicContact CB-CE3 3.79Å; F291-W504 HydrophobicContact CB-CZ3 4.38Å; F291-W504 AromaticContact CD1-CE3 3.83Å; F291-W504 HydrophobicContact CD1-CE3 3.83Å; F291-W504 AromaticContact CD1-CZ3 3.53Å; F291-W504 HydrophobicContact CD1-CZ3 3.53Å; F291-W504 HydrophobicContact CD2-CE3 4.07Å; F291-W504 HydrophobicContact CD2-CZ3 4.32Å; F291-W504 AromaticContact CE1-CZ3 3.88Å; F291-W504 HydrophobicContact CE1-CZ3 3.88Å; F291-W504 AromaticContact CG-CE3 3.6Å; F291-W504 HydrophobicContact CG-CE3 3.6Å; F291-W504 AromaticContact CG-CZ3 3.8Å; F291-W504 HydrophobicContact CG-CZ3 3.8Å; F291-W504 HydrophobicContact CZ-CZ3 4.42Å; F291-Y507 HydrophobicContact CB-CD1 4.33Å; F291-Y507 HydrophobicContact CB-CE1 3.61Å; F291-Y507 HydrophobicContact CD2-CD1 4.02Å; F291-Y507 HydrophobicContact CD2-CD2 4.09Å; F291-Y507 AromaticContact CD2-CE1 3.98Å; F291-Y507 HydrophobicContact CD2-CE1 3.98Å; F291-Y507 HydrophobicContact CD2-CE2 4.06Å; F291-Y507 HydrophobicContact CD2-CG 4.06Å; F291-Y507 HydrophobicContact CG-CE1 4.32Å; F291-Y507 PolarHBondContact O-OH 3.42Å; F291-H569 WeakPolarHBondContact CE2-O 3.42Å; F291-H569 HydrophobicContact CZ-CB 4.4Å; F291-H569 VanDerWaalsContact CZ-O 3.23Å; F291-H569 WeakPolarHBondContact CZ-O 3.41Å; F291-T573 HydrophobicContact CD2-CG2 4.37Å; F291-T573 HydrophobicContact CE2-CG2 4.1Å; F291-T575 HydrophobicContact CE2-CG2 4.31Å; F291-Y815 HydrophobicContact CD2-CD1 4.11Å; F291-Y815 HydrophobicContact CD2-CE1 4.38Å; F291-Y815 HydrophobicContact CE1-CE1 4.25Å; F291-Y815 AromaticContact CE2-CD1 3.75Å; F291-Y815 HydrophobicContact CE2-CD1 3.75Å; F291-Y815 AromaticContact CE2-CE1 3.59Å; F291-Y815 HydrophobicContact CE2-CE1 3.59Å; F291-Y815 HydrophobicContact CZ-CD1 4.07Å; F291-Y815 AromaticContact CZ-CE1 3.54Å; F291-Y815 HydrophobicContact CZ-CE1 3.54Å
292	G	98.6	Very high	98.2	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.041	C	C	.	.	S	Bend	trans	102.2	157.6	-164.2	0	0	0	0	0	110.5	P290 R313 F494	P290-G292 VanDerWaalsContact C-N 3.33Å; P290-G292 PolarHBondContact O-N 3.4Å; G292-R313 VanDerWaalsContact CA-O 3.29Å; G292-R313 WeakPolarHBondContact CA-O 3.39Å; G292-R313 PolarHBondContact N-O 3.44Å; G292-F494 VanDerWaalsContact CA-CE1 3.46Å
293	H	98.9	Very high	98.3	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.048	C	C	.	.			trans	-126.9	139.1	-171.5	-62.4	-80.4	0	0	0	112.2	E255 A287 Q312 R313 W332 F493	E255-H293 IonicContact OE1-CE1 3.86Å; E255-H293 IonicContact OE1-CG 2.65Å; E255-H293 IonicContact OE1-ND1 3.75Å; E255-H293 PolarHBondContact OE1-ND1 3.41Å; E255-H293 WeakPolarHBondContact OE2-CA 3.42Å; E255-H293 IonicContact OE2-ND1 2.94Å; A287-H293 PolarHBondContact O-CE1 2.63Å; H293-Q312 PolarHBondContact NE2-N 2.92Å; H293-R313 PolarHBondContact NE2-N 2.92Å; H293-W332 HydrophobicContact CB-CH2 3.88Å; H293-W332 HydrophobicContact CB-CZ3 4.47Å; H293-F493 HydrophobicContact CB-CB 4.37Å; H293-F493 HydrophobicContact CB-CD2 4.17Å; H293-F493 PolarHBondContact O-N 2.83Å
294	S	98.5	Very high	98.4	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	3%	0.034	C	C	.	.			trans	-98.9	144.5	-178.7	175.9	0	0	0	0	110.9	E255 T296 M297 P298 W332 N904	E255-S294 VanDerWaalsContact O-CB 3.29Å; E255-S294 WeakPolarHBondContact O-CB 3.08Å; E255-S294 PolarHBondContact OE2-N 3.49Å; S294-T296 PolarHBondContact O-N 2.68Å; S294-T296 VanDerWaalsContact O-N 3.13Å; S294-T296 WeakPolarHBondContact OG-CB 3.44Å; S294-T296 PolarHBondContact OG-N 2.74Å; S294-T296 PolarHBondContact OG-OG1 2.79Å; S294-M297 PolarHBondContact O-N 2.87Å; S294-P298 WeakPolarHBondContact O-CD 3.46Å; S294-W332 WeakPolarHBondContact O-CH2 3.49Å; S294-N904 VanDerWaalsContact CB-OD1 3.29Å; S294-N904 WeakPolarHBondContact CB-OD1 3.25Å; S294-N904 PolarHBondContact OG-OD1 2.98Å
295	A	97.6	Very high	98.3	Very high	2 Å²	2	11.3 Å²	11.3	2%	0.017	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-9.1	169.5	0	0	0	0	0	113.1	P298 W332 Q334 L903	A295-P298 WeakPolarHBondContact O-CD 3.27Å; A295-P298 WeakPolarHBondContact O-CG 3.27Å; A295-W332 HydrophobicContact CB-CZ2 4.29Å; A295-Q334 PolarHBondContact O-NE2 2.68Å; A295-Q334 PolarHBondContact O-OE1 3.49Å; A295-L903 HydrophobicContact CB-CD1 4.2Å
296	T	98.7	Very high	98.3	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-70.4	-43.8	176.5	-58	0	0	0	0	112.2	M263 S294 Y299 L300 L903 N904 Y906	M263-T296 HydrophobicContact CE-CG2 4.32Å; M263-T296 HydrophobicContact SD-CG2 4.24Å; S294-T296 PolarHBondContact O-N 2.68Å; S294-T296 VanDerWaalsContact O-N 3.13Å; S294-T296 WeakPolarHBondContact OG-CB 3.44Å; S294-T296 PolarHBondContact OG-N 2.74Å; S294-T296 PolarHBondContact OG-OG1 2.79Å; T296-Y299 WeakPolarHBondContact O-CB 3.37Å; T296-Y299 PolarHBondContact O-N 2.77Å; T296-L300 HydrophobicContact CG2-CD1 4.05Å; T296-L300 HydrophobicContact CG2-CG 4.13Å; T296-L300 WeakPolarHBondContact O-CG 3.02Å; T296-L300 PolarHBondContact O-N 2.78Å; T296-L300 VanDerWaalsContact O-N 3.11Å; T296-L903 PolarHBondContact OG1-O 2.77Å; T296-N904 WeakPolarHBondContact CB-OD1 3.4Å; T296-N904 HydrophobicContact CG2-CB 4.12Å; T296-N904 PolarHBondContact OG1-OD1 3.39Å; T296-Y906 HydrophobicContact CG2-CD1 3.98Å; T296-Y906 HydrophobicContact CG2-CG 4.29Å
297	M	98.5	Very high	98.2	Very high	15 Å²	15	12 Å²	12	7%	0.074	6%	0.061	C	C	.	.	H	α-helix	trans	-55.6	-50.5	-179	-175.5	57.4	76.1	0	0	114.3	T253 E255 M263 S294 Y299 L300 L301 M309	T253-M297 HydrophobicContact CG2-CE 3.15Å; E255-M297 HydrophobicContact CG-CB 4.5Å; E255-M297 HydrophobicContact CG-CE 4.45Å; M263-M297 HydrophobicContact CE-CB 4.48Å; M263-M297 HydrophobicContact CE-CE 3.73Å; S294-M297 PolarHBondContact O-N 2.87Å; M297-Y299 PolarHBondContact O-N 3.03Å; M297-L300 PolarHBondContact O-N 3.47Å; M297-L300 VanDerWaalsContact O-N 3.15Å; M297-L301 HydrophobicContact CG-CD1 4Å; M297-L301 HydrophobicContact CG-CG 4.27Å; M297-L301 WeakPolarHBondContact O-CG 3.3Å; M297-L301 PolarHBondContact O-N 3.5Å; M297-L301 HydrophobicContact SD-CD1 4.15Å; M297-L301 HydrophobicContact SD-CD2 4.3Å; M297-L301 HydrophobicContact SD-CG 3.9Å; M297-M309 HydrophobicContact CG-CE 4.2Å
298	P	98.3	Very high	98.1	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-56.8	-37.9	177.7	20	-33.1	0	0	0	112.8	S294 A295 K302 M309 W332 I344	S294-P298 WeakPolarHBondContact O-CD 3.46Å; A295-P298 WeakPolarHBondContact O-CD 3.27Å; A295-P298 WeakPolarHBondContact O-CG 3.27Å; P298-K302 VanDerWaalsContact O-CB 3.28Å; P298-K302 WeakPolarHBondContact O-CB 3.39Å; P298-K302 PolarHBondContact O-N 2.75Å; P298-M309 HydrophobicContact CB-SD 3.62Å; P298-M309 HydrophobicContact CG-SD 4.47Å; P298-W332 HydrophobicContact CB-CB 4.39Å; P298-W332 HydrophobicContact CB-CD2 4.17Å; P298-W332 HydrophobicContact CB-CE3 4.04Å; P298-W332 HydrophobicContact CB-CG 4.34Å; P298-W332 HydrophobicContact CG-CD2 3.67Å; P298-W332 HydrophobicContact CG-CE3 3.73Å; P298-W332 HydrophobicContact CG-CG 4.1Å; P298-W332 HydrophobicContact CG-CH2 4.32Å; P298-W332 HydrophobicContact CG-CZ2 4.3Å; P298-W332 HydrophobicContact CG-CZ3 4.06Å; P298-I344 HydrophobicContact CB-CG2 3.28Å
299	Y	98.6	Very high	98.1	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-63.6	-48.2	176	174	-96.8	0	0	0	111.9	T296 M297 L301 K302 R303 Q334 W336 T342 Y906 E1143 I1144	T296-Y299 WeakPolarHBondContact O-CB 3.37Å; T296-Y299 PolarHBondContact O-N 2.77Å; M297-Y299 PolarHBondContact O-N 3.03Å; Y299-L301 PolarHBondContact O-N 2.93Å; Y299-K302 PolarHBondContact O-N 3.24Å; Y299-R303 HydrophobicContact CD1-CG 4.47Å; Y299-R303 HydrophobicContact CD2-CG 4.27Å; Y299-R303 HydrophobicContact CE1-CG 3.98Å; Y299-R303 HydrophobicContact CE2-CG 3.78Å; Y299-R303 WeakPolarHBondContact O-CG 3.05Å; Y299-R303 PolarHBondContact O-N 2.72Å; Y299-Q334 HydrophobicContact CD2-CG 3.96Å; Y299-Q334 HydrophobicContact CG-CG 4.39Å; Y299-W336 HydrophobicContact CD2-CH2 4.32Å; Y299-W336 HydrophobicContact CD2-CZ2 4.03Å; Y299-W336 AromaticContact CE2-CH2 3.9Å; Y299-W336 HydrophobicContact CE2-CH2 3.9Å; Y299-W336 AromaticContact CE2-CZ2 3.92Å; Y299-W336 HydrophobicContact CE2-CZ2 3.92Å; Y299-T342 HydrophobicContact CD2-CG2 3.88Å; Y299-T342 HydrophobicContact CE2-CG2 4.12Å; Y299-Y906 AromaticContact CD1-CE1 3.83Å; Y299-Y906 HydrophobicContact CD1-CE1 3.83Å; Y299-Y906 AromaticContact CD1-CZ 3.68Å; Y299-Y906 WeakPolarHBondContact CD1-OH 3.23Å; Y299-Y906 HydrophobicContact CE1-CE1 4.29Å; Y299-Y906 HydrophobicContact CE1-CE2 4.21Å; Y299-Y906 AromaticContact CE1-CZ 3.65Å; Y299-Y906 WeakPolarHBondContact CE1-OH 3.36Å; Y299-Y906 WeakPolarHBondContact CE2-OH 3.05Å; Y299-Y906 HydrophobicContact CG-CE1 4.12Å; Y299-E1143 WeakPolarHBondContact OH-CA 3.33Å; Y299-E1143 PolarHBondContact OH-OE2 3.16Å; Y299-I1144 HydrophobicContact CE1-CB 4.29Å; Y299-I1144 HydrophobicContact CE1-CD1 3.93Å; Y299-I1144 HydrophobicContact CE1-CG1 3.99Å; Y299-I1144 PolarHBondContact OH-N 3.47Å
300	L	98.7	Very high	98.1	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.005	6%	0.055	C	C	.	.	H	α-helix	trans	-62	-44.9	179.9	-59.5	-177	0	0	0	111.4	M263 I264 T296 M297 R303 A304 L1122 I1144	M263-L300 HydrophobicContact CB-CD1 3.76Å; M263-L300 HydrophobicContact CE-CD1 4.14Å; M263-L300 HydrophobicContact SD-CD1 4.43Å; I264-L300 HydrophobicContact CD1-CD2 3.91Å; I264-L300 HydrophobicContact CG1-CD1 4.08Å; I264-L300 HydrophobicContact CG1-CD2 3.71Å; I264-L300 HydrophobicContact CG1-CG 4.48Å; T296-L300 HydrophobicContact CG2-CD1 4.05Å; T296-L300 HydrophobicContact CG2-CG 4.13Å; T296-L300 WeakPolarHBondContact O-CG 3.02Å; T296-L300 PolarHBondContact O-N 2.78Å; T296-L300 VanDerWaalsContact O-N 3.11Å; M297-L300 PolarHBondContact O-N 3.47Å; M297-L300 VanDerWaalsContact O-N 3.15Å; L300-R303 PolarHBondContact O-N 3.39Å; L300-A304 WeakPolarHBondContact O-CB 3.21Å; L300-A304 PolarHBondContact O-N 3.49Å; L300-L1122 HydrophobicContact CB-CD2 4.12Å; L300-L1122 HydrophobicContact CD2-CD2 3.84Å; L300-I1144 HydrophobicContact CD2-CD1 4.37Å
301	L	98.6	Very high	98.1	Very high	3 Å²	3	11.3 Å²	11.3	2%	0.016	6%	0.055	C	C	.	.	H	α-helix	trans	-61.2	-46.1	176.1	-69.3	-179.4	0	0	0	111.3	T247 L267 M297 Y299 R303 A304 N305 V306 M309 I344	T247-L301 HydrophobicContact CG2-CD2 4.42Å; L267-L301 HydrophobicContact CD2-CD2 4.41Å; M297-L301 HydrophobicContact CG-CD1 4Å; M297-L301 HydrophobicContact CG-CG 4.27Å; M297-L301 WeakPolarHBondContact O-CG 3.3Å; M297-L301 PolarHBondContact O-N 3.5Å; M297-L301 HydrophobicContact SD-CD1 4.15Å; M297-L301 HydrophobicContact SD-CD2 4.3Å; M297-L301 HydrophobicContact SD-CG 3.9Å; Y299-L301 PolarHBondContact O-N 2.93Å; L301-R303 VanDerWaalsContact C-N 3.35Å; L301-R303 PolarHBondContact O-N 3.06Å; L301-A304 CarbonylContact O-C 3.52Å; L301-A304 WeakPolarHBondContact O-CA 3.29Å; L301-A304 WeakPolarHBondContact O-CB 3.23Å; L301-A304 PolarHBondContact O-N 2.9Å; L301-N305 PolarHBondContact O-N 3.02Å; L301-V306 HydrophobicContact CB-CB 3.99Å; L301-V306 HydrophobicContact CB-CG1 4.23Å; L301-V306 HydrophobicContact CD2-CG2 4.28Å; L301-V306 WeakPolarHBondContact O-CB 3.46Å; L301-V306 PolarHBondContact O-N 2.74Å; L301-M309 HydrophobicContact CD1-CB 4.14Å; L301-M309 HydrophobicContact CD1-CE 4.18Å; L301-M309 HydrophobicContact CD1-SD 4.31Å; L301-I344 HydrophobicContact CB-CD1 3.78Å; L301-I344 HydrophobicContact CD1-CD1 4.44Å
302	K	97.8	Very high	98.1	Very high	49 Å²	49	11.1 Å²	11.1	21%	0.213	5%	0.054	C	C	.	.	H	α-helix	trans	-59	-44.3	177.1	-178.6	60.8	173.4	-155.2	0	112.2	P298 Y299 A304 N305 D343	P298-K302 VanDerWaalsContact O-CB 3.28Å; P298-K302 WeakPolarHBondContact O-CB 3.39Å; P298-K302 PolarHBondContact O-N 2.75Å; Y299-K302 PolarHBondContact O-N 3.24Å; K302-A304 VanDerWaalsContact C-N 3.25Å; K302-A304 PolarHBondContact O-N 3.19Å; K302-N305 WeakPolarHBondContact O-CA 3.25Å; K302-N305 PolarHBondContact O-N 3.41Å; K302-D343 WeakPolarHBondContact CD-O 3.15Å; K302-D343 VanDerWaalsContact CE-O 3.25Å; K302-D343 WeakPolarHBondContact CE-O 3.08Å; K302-D343 PolarHBondContact NZ-O 2.98Å
303	R	97.9	Very high	98.2	Very high	50 Å²	50	12.5 Å²	12.5	19%	0.189	6%	0.06	C	C	.	.	H	α-helix	trans	-73.4	-16.7	177.7	-64.3	-68.4	176.8	-102.5	3.4	113	Y299 L300 L301 N305 S341 L1122 E1143	Y299-R303 HydrophobicContact CD1-CG 4.47Å; Y299-R303 HydrophobicContact CD2-CG 4.27Å; Y299-R303 HydrophobicContact CE1-CG 3.98Å; Y299-R303 HydrophobicContact CE2-CG 3.78Å; Y299-R303 WeakPolarHBondContact O-CG 3.05Å; Y299-R303 PolarHBondContact O-N 2.72Å; L300-R303 PolarHBondContact O-N 3.39Å; L301-R303 VanDerWaalsContact C-N 3.35Å; L301-R303 PolarHBondContact O-N 3.06Å; R303-N305 VanDerWaalsContact C-N 3.27Å; R303-S341 PolarHBondContact NH1-O 2.77Å; R303-S341 PolarHBondContact NH2-OG 2.83Å; R303-L1122 HydrophobicContact CB-CB 3.98Å; R303-L1122 HydrophobicContact CB-CD2 4.05Å; R303-L1122 WeakPolarHBondContact O-CB 3.31Å; R303-L1122 PolarHBondContact O-N 3.16Å; R303-E1143 IonicContact CZ-OE1 2.93Å; R303-E1143 IonicContact CZ-OE2 3.02Å; R303-E1143 IonicContact NE-OE1 3.84Å; R303-E1143 IonicContact NE-OE2 3.29Å; R303-E1143 PolarHBondContact NE-OE2 2.98Å; R303-E1143 VanDerWaalsContact NH2-CD 3.27Å; R303-E1143 IonicContact NH2-OE1 2.95Å; R303-E1143 PolarHBondContact NH2-OE1 3.47Å; R303-E1143 IonicContact NH2-OE2 3.03Å; R303-E1143 PolarHBondContact NH2-OE2 2.94Å; R303-E1143 VanDerWaalsContact NH2-OE2 3.12Å
304	A	97.7	Very high	98.1	Very high	3 Å²	3	12.6 Å²	12.6	3%	0.025	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	3.7	166.3	0	0	0	0	0	113.7	L267 L300 L301 K302 T1123	L267-A304 HydrophobicContact CD2-CB 4.2Å; L300-A304 WeakPolarHBondContact O-CB 3.21Å; L300-A304 PolarHBondContact O-N 3.49Å; L301-A304 CarbonylContact O-C 3.52Å; L301-A304 WeakPolarHBondContact O-CA 3.29Å; L301-A304 WeakPolarHBondContact O-CB 3.23Å; L301-A304 PolarHBondContact O-N 2.9Å; K302-A304 VanDerWaalsContact C-N 3.25Å; K302-A304 PolarHBondContact O-N 3.19Å; A304-T1123 HydrophobicContact CB-CG2 3.7Å
305	N	96.4	Very high	98.2	Very high	86 Å²	86	12.6 Å²	12.6	46%	0.46	6%	0.06	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	22.8	-178.1	-158	45.8	0	0	0	115	L301 K302 R303 H1126	L301-N305 PolarHBondContact O-N 3.02Å; K302-N305 WeakPolarHBondContact O-CA 3.25Å; K302-N305 PolarHBondContact O-N 3.41Å; R303-N305 VanDerWaalsContact C-N 3.27Å; N305-H1126 VanDerWaalsContact CB-CD2 3.49Å; N305-H1126 WeakPolarHBondContact CB-CD2 3.44Å; N305-H1126 PolarHBondContact ND2-NE2 2.81Å
306	V	97.2	Very high	98.2	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.006	6%	0.062	C	C	.	.			trans	-82.5	132.1	169.6	176.7	0	0	0	0	108.7	Q283 L301 S308 I344	Q283-V306 WeakPolarHBondContact O-CG1 3.48Å; L301-V306 HydrophobicContact CB-CB 3.99Å; L301-V306 HydrophobicContact CB-CG1 4.23Å; L301-V306 HydrophobicContact CD2-CG2 4.28Å; L301-V306 WeakPolarHBondContact O-CB 3.46Å; L301-V306 PolarHBondContact O-N 2.74Å; V306-S308 WeakPolarHBondContact CG1-O 3.28Å; V306-I344 HydrophobicContact CG1-CD1 4.31Å
307	T	96.1	Very high	98.2	Very high	22 Å²	22	13.4 Å²	13.4	14%	0.135	6%	0.064	C	C	.	.			trans	-97.9	-24.1	-170.4	54.4	0	0	0	0	114.4	Q283 I344 F345 Y472	Q283-T307 PolarHBondContact O-N 2.66Å; Q283-T307 PolarHBondContact O-OG1 3.46Å; T307-I344 WeakPolarHBondContact O-CG1 3.16Å; T307-F345 PolarHBondContact O-N 3.06Å; T307-Y472 PolarHBondContact O-OH 3.39Å
308	S	98	Very high	98.2	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	157.7	-175.6	-54.1	0	0	0	0	111.2	S284 G285 V306 F345 F468 Y472	S284-S308 CarbonylContact C-O 3.59Å; S284-S308 VanDerWaalsContact CA-O 3.27Å; S284-S308 WeakPolarHBondContact CA-O 3.43Å; G285-S308 PolarHBondContact N-O 2.9Å; V306-S308 WeakPolarHBondContact CG1-O 3.28Å; S308-F345 CarbonylContact C-O 3.51Å; S308-F345 WeakPolarHBondContact CA-O 3.4Å; S308-F468 VanDerWaalsContact CB-CD2 3.42Å; S308-F468 VanDerWaalsContact CB-CE2 3.48Å; S308-Y472 PolarHBondContact OG-OH 2.92Å
309	M	98.5	Very high	98.2	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.005	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	163.4	174.6	68.5	-177.6	-65.5	0	0	112.5	G285 M297 P298 L301 I311 W332 I344 F345 C346 H347 F468	G285-M309 CarbonylContact O-C 3.53Å; G285-M309 VanDerWaalsContact O-CA 3.28Å; G285-M309 WeakPolarHBondContact O-CA 3.44Å; M297-M309 HydrophobicContact CG-CE 4.2Å; P298-M309 HydrophobicContact CB-SD 3.62Å; P298-M309 HydrophobicContact CG-SD 4.47Å; L301-M309 HydrophobicContact CD1-CB 4.14Å; L301-M309 HydrophobicContact CD1-CE 4.18Å; L301-M309 HydrophobicContact CD1-SD 4.31Å; M309-I311 HydrophobicContact CE-CG2 3.73Å; M309-W332 HydrophobicContact CE-CE3 4.41Å; M309-W332 HydrophobicContact CE-CZ3 4.1Å; M309-W332 HydrophobicContact SD-CE3 4.05Å; M309-W332 HydrophobicContact SD-CZ3 4.35Å; M309-I344 HydrophobicContact CB-CD1 4.14Å; M309-I344 HydrophobicContact CG-CD1 4.17Å; M309-I344 HydrophobicContact CG-CG1 4.44Å; M309-I344 HydrophobicContact CG-CG2 4.26Å; M309-I344 HydrophobicContact SD-CD1 4.14Å; M309-I344 HydrophobicContact SD-CG2 3.76Å; M309-F345 PolarHBondContact N-O 2.88Å; M309-C346 HydrophobicContact CG-CB 3.9Å; M309-C346 CarbonylContact O-C 3.58Å; M309-C346 WeakPolarHBondContact O-CA 3.32Å; M309-H347 PolarHBondContact O-N 3.35Å; M309-F468 WeakPolarHBondContact O-CZ 3.28Å
310	L	98.9	Very high	98.2	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	138.5	175.1	176.8	150.7	0	0	0	111.7	G285 W286 A287 V288 H347 M349 L420 L464	G285-L310 PolarHBondContact O-N 3.5Å; W286-L310 HydrophobicContact CD2-CD2 4.29Å; W286-L310 HydrophobicContact CE3-CB 4.27Å; W286-L310 HydrophobicContact CE3-CD1 4.11Å; W286-L310 HydrophobicContact CE3-CD2 3.66Å; W286-L310 HydrophobicContact CE3-CG 4.24Å; W286-L310 HydrophobicContact CH2-CD2 4.26Å; W286-L310 HydrophobicContact CZ3-CD1 3.7Å; W286-L310 HydrophobicContact CZ3-CD2 3.66Å; W286-L310 HydrophobicContact CZ3-CG 4.22Å; A287-L310 PolarHBondContact N-O 3.28Å; V288-L310 HydrophobicContact CG1-CD2 3.67Å; L310-H347 VanDerWaalsContact CA-O 3.27Å; L310-H347 WeakPolarHBondContact CA-O 3.47Å; L310-H347 HydrophobicContact CB-CB 4.45Å; L310-H347 HydrophobicContact CD1-CB 4.44Å; L310-M349 HydrophobicContact CD1-CG 4.07Å; L310-M349 HydrophobicContact CD1-SD 4.38Å; L310-M349 HydrophobicContact CD2-CG 4.08Å; L310-M349 HydrophobicContact CD2-SD 3.71Å; L310-M349 HydrophobicContact CG-CG 4.21Å; L310-M349 HydrophobicContact CG-SD 4.44Å; L310-L420 HydrophobicContact CD1-CD2 3.21Å; L310-L464 HydrophobicContact CD1-CD1 4.31Å
311	I	98.9	Very high	98.2	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	157	179.1	64.4	-175.1	0	0	0	112.1	A287 M309 I314 F330 W332 C346 H347 M348 M349 F493	A287-I311 WeakPolarHBondContact O-CA 3.38Å; M309-I311 HydrophobicContact CE-CG2 3.73Å; I311-I314 HydrophobicContact CD1-CD1 3.51Å; I311-I314 HydrophobicContact CG1-CD1 3.85Å; I311-F330 HydrophobicContact CD1-CZ 4.15Å; I311-W332 HydrophobicContact CD1-CE3 4.37Å; I311-W332 HydrophobicContact CD1-CH2 4.41Å; I311-W332 HydrophobicContact CD1-CZ3 3.83Å; I311-W332 HydrophobicContact CG2-CZ3 4.25Å; I311-C346 VanDerWaalsContact CD1-SG 3.58Å; I311-H347 PolarHBondContact N-O 2.94Å; I311-M348 HydrophobicContact CG1-CB 4.21Å; I311-M348 HydrophobicContact CG1-CG 4.47Å; I311-M349 PolarHBondContact O-N 3.43Å; I311-F493 HydrophobicContact CD1-CD2 4.05Å; I311-F493 HydrophobicContact CD1-CE2 3.75Å; I311-F493 HydrophobicContact CD1-CZ 4.45Å
312	Q	98.8	Very high	98.2	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.082	C	C	.	.			trans	-134.6	-55.4	-174.6	167.9	54	7.3	0	0	114.8	V288 H293 I314 K319 M349 F351 Y352 S353 Y354	V288-Q312 HydrophobicContact CB-CB 4.22Å; V288-Q312 HydrophobicContact CG1-CB 4.35Å; V288-Q312 WeakPolarHBondContact O-CB 3.14Å; H293-Q312 PolarHBondContact NE2-N 2.92Å; Q312-I314 PolarHBondContact O-N 2.83Å; Q312-K319 WeakPolarHBondContact O-CE 3.25Å; Q312-K319 PolarHBondContact O-NZ 3.41Å; Q312-M349 HydrophobicContact CB-CB 4.44Å; Q312-M349 HydrophobicContact CB-SD 4.02Å; Q312-M349 HydrophobicContact CG-SD 4.34Å; Q312-F351 PolarHBondContact NE2-O 3.22Å; Q312-F351 PolarHBondContact OE1-O 2.7Å; Q312-Y352 VanDerWaalsContact NE2-C 3.33Å; Q312-Y352 PolarHBondContact NE2-O 3.46Å; Q312-S353 VanDerWaalsContact NE2-CA 3.33Å; Q312-S353 PolarHBondContact NE2-O 2.98Å; Q312-Y354 HydrophobicContact CG-CD1 4.35Å
313	R	98.8	Very high	98.2	Very high	30 Å²	30	15.4 Å²	15.4	11%	0.113	7%	0.073	C	C	.	.			trans	-81.9	85.4	-167.7	-67.9	-169.4	178	-71.5	3.2	112.1	D289 P290 G292 H293 Y496	D289-R313 IonicContact OD1-CZ 2.94Å; D289-R313 IonicContact OD1-NE 2.72Å; D289-R313 PolarHBondContact OD1-NE 2.62Å; D289-R313 IonicContact OD1-NH2 3.5Å; D289-R313 PolarHBondContact OD1-NH2 2.77Å; P290-R313 VanDerWaalsContact O-CB 3.26Å; P290-R313 WeakPolarHBondContact O-CB 3.21Å; G292-R313 VanDerWaalsContact CA-O 3.29Å; G292-R313 WeakPolarHBondContact CA-O 3.39Å; G292-R313 PolarHBondContact N-O 3.44Å; H293-R313 PolarHBondContact NE2-N 2.92Å; R313-Y496 VanDerWaalsContact C-CD2 3.49Å; R313-Y496 HydrophobicContact CB-CD1 4.33Å; R313-Y496 HydrophobicContact CB-CD2 4.2Å; R313-Y496 HydrophobicContact CB-CE1 4.04Å; R313-Y496 HydrophobicContact CB-CE2 3.9Å; R313-Y496 HydrophobicContact CB-CG 4.4Å; R313-Y496 HydrophobicContact CG-CE1 4.34Å; R313-Y496 PolarHBondContact NH1-OH 3.2Å; R313-Y496 WeakPolarHBondContact O-CD2 3.37Å
314	I	98.6	Very high	98.2	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.005	9%	0.088	C	C	.	.			trans	-124.9	148.5	-179.6	-63	178	0	0	0	108.9	I311 Q312 Y316 I318 K319 M348 F493	I311-I314 HydrophobicContact CD1-CD1 3.51Å; I311-I314 HydrophobicContact CG1-CD1 3.85Å; Q312-I314 PolarHBondContact O-N 2.83Å; I314-Y316 PolarHBondContact O-N 2.91Å; I314-I318 HydrophobicContact CG2-CB 3.9Å; I314-I318 HydrophobicContact CG2-CD1 4.05Å; I314-I318 HydrophobicContact CG2-CG2 3.86Å; I314-K319 HydrophobicContact CB-CG 4.46Å; I314-K319 VanDerWaalsContact O-CE 3.3Å; I314-K319 WeakPolarHBondContact O-CE 3.36Å; I314-M348 HydrophobicContact CB-SD 4.34Å; I314-M348 HydrophobicContact CD1-CE 3.29Å; I314-M348 HydrophobicContact CD1-CG 3.85Å; I314-M348 HydrophobicContact CD1-SD 3.65Å; I314-M348 HydrophobicContact CG2-CE 4.35Å; I314-M348 HydrophobicContact CG2-SD 4.22Å; I314-F493 HydrophobicContact CD1-CB 4.1Å; I314-F493 HydrophobicContact CD1-CD1 3.74Å; I314-F493 HydrophobicContact CD1-CD2 3.88Å; I314-F493 HydrophobicContact CD1-CE1 4.08Å; I314-F493 HydrophobicContact CD1-CE2 4.21Å; I314-F493 HydrophobicContact CD1-CG 3.62Å; I314-F493 HydrophobicContact CD1-CZ 4.3Å; I314-F493 HydrophobicContact CG1-CB 3.9Å; I314-F493 HydrophobicContact CG1-CD1 4.22Å; I314-F493 HydrophobicContact CG1-CG 3.99Å; I314-F493 HydrophobicContact CG2-CB 4.24Å; I314-F493 HydrophobicContact CG2-CD1 3.69Å; I314-F493 HydrophobicContact CG2-CE1 4.42Å; I314-F493 HydrophobicContact CG2-CG 4.23Å
315	H	98.8	Very high	98.1	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.103	C	C	.	.			trans	-48.5	129.8	-179.4	-169.4	-63.6	0	0	0	111.2	F140 S317 I318 K319 Y503	F140-H315 AromaticContact CD1-CE1 3.6Å; F140-H315 AromaticContact CD1-NE2 3.81Å; H315-S317 VanDerWaalsContact C-N 3.3Å; H315-S317 PolarHBondContact CE1-OG 3.41Å; H315-S317 VanDerWaalsContact CE1-OG 3.25Å; H315-S317 PolarHBondContact ND1-N 2.84Å; H315-S317 VanDerWaalsContact ND1-N 3.13Å; H315-S317 PolarHBondContact ND1-OG 3.02Å; H315-S317 PolarHBondContact O-N 2.81Å; H315-I318 HydrophobicContact CB-CD1 3.78Å; H315-I318 HydrophobicContact CB-CG1 4.1Å; H315-I318 WeakPolarHBondContact O-CA 3.4Å; H315-I318 WeakPolarHBondContact O-CB 3.27Å; H315-I318 PolarHBondContact O-N 3.05Å; H315-K319 PolarHBondContact O-N 2.72Å; H315-Y503 AromaticContact CD2-CE1 3.74Å; H315-Y503 AromaticContact CD2-CZ 3.92Å; H315-Y503 AromaticContact NE2-CE1 3.93Å; H315-Y503 AromaticContact NE2-CZ 3.59Å; H315-Y503 PolarHBondContact NE2-OH 3.24Å; H315-Y503 VanDerWaalsContact NE2-OH 3.1Å
316	Y	98.3	Very high	98.2	Very high	13 Å²	13	19.9 Å²	19.9	5%	0.051	10%	0.1	C	C	.	.	H	α-helix	trans	-57.3	-37.9	-172.8	62	-93.8	0	0	0	113.8	N142 Q150 I314 I318 K319 K320 A497 E500	N142-Y316 HydrophobicContact CB-CE2 3.78Å; N142-Y316 WeakPolarHBondContact OD1-CE2 3.38Å; Q150-Y316 HydrophobicContact CB-CD2 4.34Å; Q150-Y316 VanDerWaalsContact CD-CB 3.5Å; Q150-Y316 HydrophobicContact CG-CD2 4.35Å; Q150-Y316 HydrophobicContact CG-CG 4.35Å; I314-Y316 PolarHBondContact O-N 2.91Å; Y316-I318 VanDerWaalsContact C-N 3.3Å; Y316-I318 PolarHBondContact O-N 3.48Å; Y316-K319 WeakPolarHBondContact O-CB 3.47Å; Y316-K319 PolarHBondContact O-N 2.85Å; Y316-K320 PolarHBondContact O-N 3.34Å; Y316-A497 WeakPolarHBondContact CD1-O 3.38Å; Y316-A497 HydrophobicContact CE1-CB 4.34Å; Y316-A497 PolarHBondContact N-O 3.48Å; Y316-E500 PolarHBondContact OH-O 3.14Å
317	S	98.3	Very high	98.2	Very high	7 Å²	7	20.3 Å²	20.3	5%	0.049	10%	0.104	C	C	.	.	H	α-helix	trans	-61.9	-32.7	174.1	-49.8	0	0	0	0	113.8	H315 H321	H315-S317 VanDerWaalsContact C-N 3.3Å; H315-S317 PolarHBondContact CE1-OG 3.41Å; H315-S317 VanDerWaalsContact CE1-OG 3.25Å; H315-S317 PolarHBondContact ND1-N 2.84Å; H315-S317 VanDerWaalsContact ND1-N 3.13Å; H315-S317 PolarHBondContact ND1-OG 3.02Å; H315-S317 PolarHBondContact O-N 2.81Å; S317-H321 WeakPolarHBondContact O-CB 3.46Å; S317-H321 PolarHBondContact O-N 3.1Å; S317-H321 VanDerWaalsContact O-N 3.07Å
318	I	98.6	Very high	98.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-70.1	-47.3	174.8	-60.6	169.5	0	0	0	109	M131 Y135 L138 I314 H315 Y316 K320 H321 F322 F493	M131-I318 HydrophobicContact CE-CD1 3.81Å; M131-I318 HydrophobicContact CE-CG1 4.38Å; M131-I318 HydrophobicContact CE-CG2 4Å; Y135-I318 HydrophobicContact CD2-CD1 4.46Å; Y135-I318 HydrophobicContact CE2-CD1 3.55Å; Y135-I318 HydrophobicContact CE2-CG1 4.44Å; L138-I318 HydrophobicContact CD1-CG1 3.82Å; I314-I318 HydrophobicContact CG2-CB 3.9Å; I314-I318 HydrophobicContact CG2-CD1 4.05Å; I314-I318 HydrophobicContact CG2-CG2 3.86Å; H315-I318 HydrophobicContact CB-CD1 3.78Å; H315-I318 HydrophobicContact CB-CG1 4.1Å; H315-I318 WeakPolarHBondContact O-CA 3.4Å; H315-I318 WeakPolarHBondContact O-CB 3.27Å; H315-I318 PolarHBondContact O-N 3.05Å; Y316-I318 VanDerWaalsContact C-N 3.3Å; Y316-I318 PolarHBondContact O-N 3.48Å; I318-K320 VanDerWaalsContact C-N 3.29Å; I318-K320 PolarHBondContact O-N 3.33Å; I318-H321 PolarHBondContact O-N 3.13Å; I318-H321 VanDerWaalsContact O-N 3.13Å; I318-F322 HydrophobicContact CG2-CD1 4.24Å; I318-F322 HydrophobicContact CG2-CD2 4.41Å; I318-F322 HydrophobicContact CG2-CE1 4.17Å; I318-F322 HydrophobicContact CG2-CE2 4.33Å; I318-F322 HydrophobicContact CG2-CG 4.36Å; I318-F322 HydrophobicContact CG2-CZ 4.21Å; I318-F322 WeakPolarHBondContact O-CB 3.49Å; I318-F322 PolarHBondContact O-N 3.3Å; I318-F493 HydrophobicContact CG2-CD1 4.5Å; I318-F493 HydrophobicContact CG2-CE1 4.39Å
319	K	98.7	Very high	98.3	Very high	9 Å²	9	19.3 Å²	19.3	4%	0.039	10%	0.097	C	C	.	.	H	α-helix	trans	-54.8	-44.7	174.5	-72.3	172	174.7	-90.5	0	111.7	Q312 I314 H315 Y316 F322 S323 M348 M349 F351	Q312-K319 WeakPolarHBondContact O-CE 3.25Å; Q312-K319 PolarHBondContact O-NZ 3.41Å; I314-K319 HydrophobicContact CB-CG 4.46Å; I314-K319 VanDerWaalsContact O-CE 3.3Å; I314-K319 WeakPolarHBondContact O-CE 3.36Å; H315-K319 PolarHBondContact O-N 2.72Å; Y316-K319 WeakPolarHBondContact O-CB 3.47Å; Y316-K319 PolarHBondContact O-N 2.85Å; K319-F322 PolarHBondContact O-N 3.15Å; K319-S323 VanDerWaalsContact O-CB 3.24Å; K319-S323 WeakPolarHBondContact O-CB 3.47Å; K319-S323 PolarHBondContact O-N 3.36Å; K319-S323 PolarHBondContact O-OG 2.95Å; K319-M348 HydrophobicContact CG-SD 4.16Å; K319-M349 PolarHBondContact NZ-O 3.13Å; K319-F351 WeakPolarHBondContact CE-O 3.37Å; K319-F351 PolarHBondContact NZ-O 2.82Å
320	K	98.6	Very high	98.3	Very high	54 Å²	54	19.3 Å²	19.3	24%	0.235	10%	0.097	C	C	.	.	H	α-helix	trans	-58.3	-49	175.8	-176.5	176.6	-173.4	162.9	0	111.8	Q150 G151 F152 Y316 I318 S323 S324	Q150-K320 WeakPolarHBondContact O-CD 3.34Å; G151-K320 VanDerWaalsContact O-CE 3.27Å; G151-K320 WeakPolarHBondContact O-CE 3.22Å; G151-K320 PolarHBondContact O-NZ 3.24Å; G151-K320 VanDerWaalsContact O-NZ 3.13Å; F152-K320 HydrophobicContact CD1-CG 4.31Å; Y316-K320 PolarHBondContact O-N 3.34Å; I318-K320 VanDerWaalsContact C-N 3.29Å; I318-K320 PolarHBondContact O-N 3.33Å; K320-S323 PolarHBondContact O-N 3.25Å; K320-S324 PolarHBondContact O-N 2.99Å; K320-S324 PolarHBondContact O-OG 3.11Å
321	H	98.3	Very high	98.2	Very high	42 Å²	42	19.4 Å²	19.4	19%	0.194	10%	0.098	C	C	.	.	H	α-helix	trans	-66.1	-41.5	-179.9	177.7	62.2	0	0	0	113	L138 S317 I318 S323 S324 T325	L138-H321 HydrophobicContact CD2-CB 3.68Å; S317-H321 WeakPolarHBondContact O-CB 3.46Å; S317-H321 PolarHBondContact O-N 3.1Å; S317-H321 VanDerWaalsContact O-N 3.07Å; I318-H321 PolarHBondContact O-N 3.13Å; I318-H321 VanDerWaalsContact O-N 3.13Å; H321-S323 VanDerWaalsContact C-N 3.31Å; H321-S324 PolarHBondContact O-N 2.95Å; H321-S324 PolarHBondContact O-OG 3.25Å; H321-T325 WeakPolarHBondContact O-CG2 3.24Å; H321-T325 PolarHBondContact O-N 3.36Å; H321-T325 PolarHBondContact O-OG1 3.49Å
322	F	98.6	Very high	98.2	Very high	1 Å²	1	19.4 Å²	19.4	0%	0.004	10%	0.098	C	C	.	.	H	α-helix	trans	-71	-32.2	178.4	-79.1	21.5	0	0	0	111.2	V129 M131 V134 I318 K319 T325 R326 S327 L328 F330 M348 L489 F493	V129-F322 HydrophobicContact CG1-CE1 4.21Å; V129-F322 HydrophobicContact CG1-CZ 3.87Å; M131-F322 HydrophobicContact CE-CZ 4.49Å; M131-F322 HydrophobicContact SD-CE2 4.43Å; M131-F322 HydrophobicContact SD-CZ 3.71Å; V134-F322 HydrophobicContact CG1-CE1 4.21Å; V134-F322 HydrophobicContact CG2-CE1 4.18Å; I318-F322 HydrophobicContact CG2-CD1 4.24Å; I318-F322 HydrophobicContact CG2-CD2 4.41Å; I318-F322 HydrophobicContact CG2-CE1 4.17Å; I318-F322 HydrophobicContact CG2-CE2 4.33Å; I318-F322 HydrophobicContact CG2-CG 4.36Å; I318-F322 HydrophobicContact CG2-CZ 4.21Å; I318-F322 WeakPolarHBondContact O-CB 3.49Å; I318-F322 PolarHBondContact O-N 3.3Å; K319-F322 PolarHBondContact O-N 3.15Å; F322-T325 PolarHBondContact O-N 3.46Å; F322-T325 PolarHBondContact O-OG1 2.94Å; F322-R326 CarbonylContact O-C 3.55Å; F322-R326 WeakPolarHBondContact O-CA 3.42Å; F322-R326 PolarHBondContact O-N 2.86Å; F322-S327 WeakPolarHBondContact CD2-O 3Å; F322-S327 PolarHBondContact O-N 3.09Å; F322-L328 HydrophobicContact CB-CD2 3.69Å; F322-L328 HydrophobicContact CB-CG 4.03Å; F322-F330 HydrophobicContact CE2-CE1 4.37Å; F322-M348 HydrophobicContact CD2-CE 3.55Å; F322-M348 HydrophobicContact CD2-SD 4.08Å; F322-M348 HydrophobicContact CE2-CE 3.72Å; F322-L489 HydrophobicContact CE2-CD1 3.45Å; F322-L489 VanDerWaalsContact CE2-CD1 3.45Å; F322-L489 HydrophobicContact CZ-CD1 3.56Å; F322-F493 HydrophobicContact CE2-CE1 4.23Å
323	S	98.4	Very high	98.1	Very high	3 Å²	3	20.5 Å²	20.5	2%	0.021	10%	0.102	C	C	.	.	H	α-helix	trans	-66.1	-42.5	172	-59	0	0	0	0	111.9	K319 K320 H321 T325 R326	K319-S323 VanDerWaalsContact O-CB 3.24Å; K319-S323 WeakPolarHBondContact O-CB 3.47Å; K319-S323 PolarHBondContact O-N 3.36Å; K319-S323 PolarHBondContact O-OG 2.95Å; K320-S323 PolarHBondContact O-N 3.25Å; H321-S323 VanDerWaalsContact C-N 3.31Å; S323-T325 VanDerWaalsContact C-N 3.31Å; S323-T325 PolarHBondContact O-N 3.09Å; S323-R326 PolarHBondContact O-N 3.38Å
324	S	97.3	Very high	97.9	Very high	73 Å²	73	19 Å²	19	51%	0.51	10%	0.096	S	C	.	.	H	α-helix	trans	-70.3	-27.3	179	64.4	0	0	0	0	113.2	K320 H321	K320-S324 PolarHBondContact O-N 2.99Å; K320-S324 PolarHBondContact O-OG 3.11Å; H321-S324 PolarHBondContact O-N 2.95Å; H321-S324 PolarHBondContact O-OG 3.25Å
325	T	96.8	Very high	97.6	Very high	56 Å²	56	19.5 Å²	19.5	34%	0.344	10%	0.1	S	C	.	.	H	α-helix	trans	-99.1	0.6	179	58.8	0	0	0	0	113.6	H321 F322 S323 S327	H321-T325 WeakPolarHBondContact O-CG2 3.24Å; H321-T325 PolarHBondContact O-N 3.36Å; H321-T325 PolarHBondContact O-OG1 3.49Å; F322-T325 PolarHBondContact O-N 3.46Å; F322-T325 PolarHBondContact O-OG1 2.94Å; S323-T325 VanDerWaalsContact C-N 3.31Å; S323-T325 PolarHBondContact O-N 3.09Å; T325-S327 VanDerWaalsContact C-N 3.26Å; T325-S327 PolarHBondContact O-N 3.2Å; T325-S327 PolarHBondContact O-OG 2.6Å; T325-S327 PolarHBondContact OG1-OG 3.34Å
326	R	97.1	Very high	97.3	Very high	104 Å²	104	19.9 Å²	19.9	39%	0.392	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	45.6	-172.4	-57.7	-179.3	-178.4	165.4	8.5	112.7	F322 S323 K412 R415	F322-R326 CarbonylContact O-C 3.55Å; F322-R326 WeakPolarHBondContact O-CA 3.42Å; F322-R326 PolarHBondContact O-N 2.86Å; S323-R326 PolarHBondContact O-N 3.38Å; R326-K412 PolarHBondContact NE-O 2.7Å; R326-R415 HydrophobicContact CB-CG 3.99Å; R326-R415 WeakPolarHBondContact O-CG 3.44Å; R326-R415 PolarHBondContact O-NE 2.82Å; R326-R415 PolarHBondContact O-NH2 2.86Å
327	S	97.2	Very high	97	Very high	11 Å²	11	19.7 Å²	19.7	8%	0.077	10%	0.102	C	C	.	.			trans	-111.1	20.5	-179.7	-52	0	0	0	0	112.4	F322 T325 E329 F330	F322-S327 WeakPolarHBondContact CD2-O 3Å; F322-S327 PolarHBondContact O-N 3.09Å; T325-S327 VanDerWaalsContact C-N 3.26Å; T325-S327 PolarHBondContact O-N 3.2Å; T325-S327 PolarHBondContact O-OG 2.6Å; T325-S327 PolarHBondContact OG1-OG 3.34Å; S327-E329 VanDerWaalsContact C-N 3.25Å; S327-E329 PolarHBondContact O-N 2.87Å; S327-F330 WeakPolarHBondContact O-CD1 3.39Å
328	L	98.5	Very high	96.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	-72.2	-19.5	176	-70	168.8	0	0	0	112.9	F322 M348 P350 L413 Y414	F322-L328 HydrophobicContact CB-CD2 3.69Å; F322-L328 HydrophobicContact CB-CG 4.03Å; L328-M348 HydrophobicContact CB-CB 4.44Å; L328-M348 HydrophobicContact CD2-CB 4.07Å; L328-M348 HydrophobicContact CD2-CG 3.88Å; L328-M348 HydrophobicContact CD2-SD 3.77Å; L328-M348 VanDerWaalsContact O-CB 3.29Å; L328-M348 WeakPolarHBondContact O-CB 3.5Å; L328-M348 PolarHBondContact O-N 3.32Å; L328-P350 HydrophobicContact CD1-CB 3.73Å; L328-L413 HydrophobicContact CD1-CB 3.89Å; L328-Y414 HydrophobicContact CB-CD1 4.01Å; L328-Y414 HydrophobicContact CB-CE1 3.56Å; L328-Y414 HydrophobicContact CD1-CD1 4.39Å; L328-Y414 HydrophobicContact CD1-CE1 3.85Å; L328-Y414 HydrophobicContact CG-CE1 4.39Å
329	E	98.3	Very high	95.7	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	125.7	173.3	-68.5	161.2	134.4	0	0	107.9	S327 F345 C346 H347 Y414 R415 Y467 L471 F486 P487	S327-E329 VanDerWaalsContact C-N 3.25Å; S327-E329 PolarHBondContact O-N 2.87Å; E329-F345 HydrophobicContact CB-CE2 4.12Å; E329-F345 HydrophobicContact CB-CZ 3.96Å; E329-F345 HydrophobicContact CG-CZ 4.42Å; E329-C346 WeakPolarHBondContact CA-O 3.31Å; E329-H347 IonicContact OE1-ND1 3.63Å; E329-Y414 VanDerWaalsContact CD-CD1 3.41Å; E329-Y414 HydrophobicContact CG-CD1 3.68Å; E329-Y414 HydrophobicContact CG-CE1 4.06Å; E329-Y414 WeakPolarHBondContact OE2-CB 3.41Å; E329-Y414 WeakPolarHBondContact OE2-CD1 3.27Å; E329-R415 PolarHBondContact OE2-N 2.87Å; E329-Y467 PolarHBondContact OE1-OH 3.02Å; E329-L471 VanDerWaalsContact OE1-CD1 3.28Å; E329-L471 WeakPolarHBondContact OE1-CD1 3.43Å; E329-F486 HydrophobicContact CB-CD1 3.48Å; E329-F486 VanDerWaalsContact CB-CD1 3.48Å; E329-F486 HydrophobicContact CB-CE1 3.4Å; E329-F486 VanDerWaalsContact CB-CE1 3.4Å; E329-F486 HydrophobicContact CG-CE1 4.15Å; E329-F486 WeakPolarHBondContact OE2-CE1 3.25Å; E329-P487 WeakPolarHBondContact O-CD 3.38Å
330	F	98.1	Very high	95.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	157.3	-173.5	52.6	-91.9	0	0	0	112.2	I311 F322 S327 W332 C346 M348 P487 L489 F493	I311-F330 HydrophobicContact CD1-CZ 4.15Å; F322-F330 HydrophobicContact CE2-CE1 4.37Å; S327-F330 WeakPolarHBondContact O-CD1 3.39Å; F330-W332 HydrophobicContact CD2-CB 3.94Å; F330-W332 HydrophobicContact CD2-CG 4.38Å; F330-W332 HydrophobicContact CE2-CB 3.75Å; F330-W332 AromaticContact CE2-CD2 3.98Å; F330-W332 HydrophobicContact CE2-CD2 3.98Å; F330-W332 HydrophobicContact CE2-CE3 4.2Å; F330-W332 AromaticContact CE2-CG 3.82Å; F330-W332 HydrophobicContact CE2-CG 3.82Å; F330-W332 PolarHBondContact O-N 3.26Å; F330-C346 HydrophobicContact CD2-CB 4.03Å; F330-C346 HydrophobicContact CE2-CB 3.69Å; F330-C346 HydrophobicContact CZ-CB 4.01Å; F330-C346 PolarHBondContact N-O 3.29Å; F330-C346 PolarHBondContact O-N 2.86Å; F330-M348 HydrophobicContact CE1-CB 4.14Å; F330-M348 HydrophobicContact CE1-CE 3.83Å; F330-M348 HydrophobicContact CZ-CE 4.2Å; F330-P487 CarbonylContact C-O 3.59Å; F330-P487 VanDerWaalsContact CA-O 3.24Å; F330-P487 WeakPolarHBondContact CA-O 3.21Å; F330-P487 HydrophobicContact CB-CG 4.05Å; F330-P487 VanDerWaalsContact CB-O 3.31Å; F330-P487 WeakPolarHBondContact CB-O 3.4Å; F330-L489 HydrophobicContact CB-CB 4.09Å; F330-L489 HydrophobicContact CD1-CD1 4.2Å; F330-L489 HydrophobicContact CD2-CB 3.5Å; F330-L489 VanDerWaalsContact CD2-CB 3.5Å; F330-L489 HydrophobicContact CD2-CD1 4.03Å; F330-L489 HydrophobicContact CD2-CD2 4.24Å; F330-L489 HydrophobicContact CD2-CG 4.14Å; F330-L489 HydrophobicContact CE1-CD1 4.23Å; F330-L489 HydrophobicContact CE2-CB 4.08Å; F330-L489 HydrophobicContact CE2-CD1 4.02Å; F330-L489 HydrophobicContact CE2-CD2 3.92Å; F330-L489 HydrophobicContact CE2-CG 4.25Å; F330-L489 HydrophobicContact CG-CB 3.88Å; F330-L489 HydrophobicContact CG-CD1 4.11Å; F330-L489 HydrophobicContact CZ-CD1 4.13Å; F330-F493 HydrophobicContact CE1-CZ 4.36Å; F330-F493 HydrophobicContact CE2-CE2 4.44Å; F330-F493 HydrophobicContact CE2-CZ 4.28Å; F330-F493 AromaticContact CZ-CE2 3.97Å; F330-F493 HydrophobicContact CZ-CE2 3.97Å; F330-F493 AromaticContact CZ-CZ 3.65Å; F330-F493 HydrophobicContact CZ-CZ 3.65Å
331	M	97.7	Very high	95	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	110.7	165.8	-59.5	-54.8	-61.1	0	0	108.6	R333 D343 I344 F345 R482 P487 V488 L489	M331-R333 PolarHBondContact O-N 2.83Å; M331-D343 HydrophobicContact CB-CB 4.28Å; M331-D343 HydrophobicContact CE-CB 3.61Å; M331-I344 CarbonylContact C-O 3.6Å; M331-I344 WeakPolarHBondContact CA-O 3.47Å; M331-F345 HydrophobicContact CE-CB 4.22Å; M331-F345 HydrophobicContact SD-CB 3.81Å; M331-F345 HydrophobicContact SD-CD2 3.59Å; M331-F345 VanDerWaalsContact SD-CD2 3.59Å; M331-F345 HydrophobicContact SD-CG 4.11Å; M331-R482 HydrophobicContact CG-CB 3.78Å; M331-R482 HydrophobicContact CG-CG 3.67Å; M331-R482 HydrophobicContact SD-CB 4.13Å; M331-R482 HydrophobicContact SD-CG 4.45Å; M331-P487 PolarHBondContact N-O 2.68Å; M331-V488 HydrophobicContact CB-CG2 4.08Å; M331-V488 CarbonylContact O-C 3.56Å; M331-V488 WeakPolarHBondContact O-CA 3.23Å; M331-L489 PolarHBondContact O-N 3.42Å
332	W	97.9	Very high	94.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	112.8	179.2	-159.1	-7.2	0	0	0	110	H293 S294 A295 P298 M309 I311 F330 I344 C346 L489 G491 F493	H293-W332 HydrophobicContact CB-CH2 3.88Å; H293-W332 HydrophobicContact CB-CZ3 4.47Å; S294-W332 WeakPolarHBondContact O-CH2 3.49Å; A295-W332 HydrophobicContact CB-CZ2 4.29Å; P298-W332 HydrophobicContact CB-CB 4.39Å; P298-W332 HydrophobicContact CB-CD2 4.17Å; P298-W332 HydrophobicContact CB-CE3 4.04Å; P298-W332 HydrophobicContact CB-CG 4.34Å; P298-W332 HydrophobicContact CG-CD2 3.67Å; P298-W332 HydrophobicContact CG-CE3 3.73Å; P298-W332 HydrophobicContact CG-CG 4.1Å; P298-W332 HydrophobicContact CG-CH2 4.32Å; P298-W332 HydrophobicContact CG-CZ2 4.3Å; P298-W332 HydrophobicContact CG-CZ3 4.06Å; M309-W332 HydrophobicContact CE-CE3 4.41Å; M309-W332 HydrophobicContact CE-CZ3 4.1Å; M309-W332 HydrophobicContact SD-CE3 4.05Å; M309-W332 HydrophobicContact SD-CZ3 4.35Å; I311-W332 HydrophobicContact CD1-CE3 4.37Å; I311-W332 HydrophobicContact CD1-CH2 4.41Å; I311-W332 HydrophobicContact CD1-CZ3 3.83Å; I311-W332 HydrophobicContact CG2-CZ3 4.25Å; F330-W332 HydrophobicContact CD2-CB 3.94Å; F330-W332 HydrophobicContact CD2-CG 4.38Å; F330-W332 HydrophobicContact CE2-CB 3.75Å; F330-W332 AromaticContact CE2-CD2 3.98Å; F330-W332 HydrophobicContact CE2-CD2 3.98Å; F330-W332 HydrophobicContact CE2-CE3 4.2Å; F330-W332 AromaticContact CE2-CG 3.82Å; F330-W332 HydrophobicContact CE2-CG 3.82Å; F330-W332 PolarHBondContact O-N 3.26Å; W332-I344 HydrophobicContact CB-CG2 4.14Å; W332-I344 PolarHBondContact N-O 3.2Å; W332-I344 PolarHBondContact O-N 2.51Å; W332-C346 HydrophobicContact CB-CB 4.22Å; W332-C346 HydrophobicContact CE3-CB 4.32Å; W332-L489 HydrophobicContact CG-CD2 4.37Å; W332-G491 PolarHBondContact NE1-O 3.06Å; W332-F493 HydrophobicContact CD2-CE2 4.4Å; W332-F493 AromaticContact CE2-CE2 3.95Å; W332-F493 HydrophobicContact CE3-CE2 4.44Å; W332-F493 AromaticContact CH2-CD2 3.66Å; W332-F493 HydrophobicContact CH2-CD2 3.66Å; W332-F493 AromaticContact CH2-CE2 3.7Å; W332-F493 HydrophobicContact CH2-CE2 3.7Å; W332-F493 AromaticContact CZ2-CD2 3.71Å; W332-F493 HydrophobicContact CZ2-CD2 3.71Å; W332-F493 AromaticContact CZ2-CE2 3.59Å; W332-F493 HydrophobicContact CZ2-CE2 3.59Å; W332-F493 HydrophobicContact CZ3-CD2 4.39Å; W332-F493 HydrophobicContact CZ3-CE2 4.12Å
333	R	96.7	Very high	94.7	Very high	23 Å²	23	26.7 Å²	26.7	9%	0.087	17%	0.165	C	C	.	.			trans	-110.6	145.8	-176.4	-175.6	178.3	-65.1	174.8	-0.6	111.1	M331 D337 G339 D343 V488 L489	M331-R333 PolarHBondContact O-N 2.83Å; R333-D337 HydrophobicContact CG-CB 3.85Å; R333-G339 WeakPolarHBondContact CD-O 3.24Å; R333-G339 PolarHBondContact NE-O 2.87Å; R333-G339 PolarHBondContact NH1-O 3.12Å; R333-G339 PolarHBondContact NH2-O 2.77Å; R333-D343 WeakPolarHBondContact CB-OD1 3.29Å; R333-D343 VanDerWaalsContact CG-OD1 3.3Å; R333-D343 WeakPolarHBondContact CG-OD1 3.44Å; R333-D343 IonicContact CZ-OD1 3.57Å; R333-D343 IonicContact CZ-OD2 3.72Å; R333-D343 IonicContact NE-OD1 3.3Å; R333-D343 PolarHBondContact NE-OD1 3.27Å; R333-D343 IonicContact NE-OD2 3.56Å; R333-D343 IonicContact NH2-OD1 3.65Å; R333-D343 PolarHBondContact NH2-OD1 3.26Å; R333-D343 IonicContact NH2-OD2 3.01Å; R333-D343 PolarHBondContact NH2-OD2 3.03Å; R333-V488 HydrophobicContact CB-CG1 3.81Å; R333-L489 PolarHBondContact N-O 3.17Å
334	Q	95.9	Very high	94.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.164	C	C	.	.			trans	-65.6	135.9	169.1	-59.5	-55.5	-69.5	0	0	110.8	A295 Y299 W336 D337 T342	A295-Q334 PolarHBondContact O-NE2 2.68Å; A295-Q334 PolarHBondContact O-OE1 3.49Å; Y299-Q334 HydrophobicContact CD2-CG 3.96Å; Y299-Q334 HydrophobicContact CG-CG 4.39Å; Q334-W336 HydrophobicContact CB-CD2 3.97Å; Q334-W336 HydrophobicContact CB-CG 4.28Å; Q334-W336 HydrophobicContact CB-CH2 4.49Å; Q334-W336 HydrophobicContact CB-CZ2 3.79Å; Q334-W336 HydrophobicContact CG-CH2 4.42Å; Q334-W336 HydrophobicContact CG-CZ2 3.65Å; Q334-W336 PolarHBondContact O-N 3.01Å; Q334-D337 HydrophobicContact CB-CB 4.25Å; Q334-D337 WeakPolarHBondContact O-CB 3.43Å; Q334-D337 PolarHBondContact O-N 3.2Å; Q334-T342 HydrophobicContact CB-CG2 4.25Å; Q334-T342 HydrophobicContact CG-CG2 3.78Å; Q334-T342 PolarHBondContact N-OG1 3.22Å; Q334-T342 VanDerWaalsContact N-OG1 3.17Å
335	A	92.4	Very high	94.7	Very high	10 Å²	10	23 Å²	23	8%	0.083	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-23.3	-177.1	0	0	0	0	0	113.4	T1006	A335-T1006 HydrophobicContact CB-CG2 3.55Å; A335-T1006 VanDerWaalsContact O-CG2 3.23Å; A335-T1006 WeakPolarHBondContact O-CG2 3.34Å
336	W	91.8	Very high	94.8	Very high	8 Å²	8	20.4 Å²	20.4	3%	0.03	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-11	177.5	55.9	-102.6	0	0	0	114.2	F119 Y299 Q334 T342 Y906 T1006 F1008 M1142	F119-W336 HydrophobicContact CE1-CB 4.42Å; F119-W336 HydrophobicContact CZ-CB 4.07Å; F119-W336 HydrophobicContact CZ-CD2 4.38Å; F119-W336 AromaticContact CZ-CE3 3.89Å; F119-W336 HydrophobicContact CZ-CE3 3.89Å; F119-W336 HydrophobicContact CZ-CG 4.49Å; Y299-W336 HydrophobicContact CD2-CH2 4.32Å; Y299-W336 HydrophobicContact CD2-CZ2 4.03Å; Y299-W336 AromaticContact CE2-CH2 3.9Å; Y299-W336 HydrophobicContact CE2-CH2 3.9Å; Y299-W336 AromaticContact CE2-CZ2 3.92Å; Y299-W336 HydrophobicContact CE2-CZ2 3.92Å; Q334-W336 HydrophobicContact CB-CD2 3.97Å; Q334-W336 HydrophobicContact CB-CG 4.28Å; Q334-W336 HydrophobicContact CB-CH2 4.49Å; Q334-W336 HydrophobicContact CB-CZ2 3.79Å; Q334-W336 HydrophobicContact CG-CH2 4.42Å; Q334-W336 HydrophobicContact CG-CZ2 3.65Å; Q334-W336 PolarHBondContact O-N 3.01Å; W336-T342 HydrophobicContact CH2-CG2 3.71Å; W336-T342 HydrophobicContact CZ2-CG2 4.23Å; W336-T342 HydrophobicContact CZ3-CG2 4.23Å; W336-Y906 VanDerWaalsContact CZ2-OH 3.28Å; W336-Y906 WeakPolarHBondContact CZ2-OH 3.05Å; W336-T1006 HydrophobicContact CB-CG2 4.09Å; W336-F1008 HydrophobicContact CB-CE1 4.28Å; W336-F1008 HydrophobicContact CB-CZ 3.93Å; W336-M1142 HydrophobicContact CD2-CB 3.69Å; W336-M1142 HydrophobicContact CD2-CG 3.76Å; W336-M1142 HydrophobicContact CE3-CB 3.84Å; W336-M1142 HydrophobicContact CE3-CG 4.16Å; W336-M1142 HydrophobicContact CG-CB 4.4Å; W336-M1142 HydrophobicContact CG-CG 3.96Å; W336-M1142 HydrophobicContact CH2-CB 3.76Å; W336-M1142 HydrophobicContact CZ2-CB 3.62Å; W336-M1142 HydrophobicContact CZ2-CG 4.5Å; W336-M1142 HydrophobicContact CZ3-CB 3.88Å
337	D	91.4	Very high	94.9	Very high	10 Å²	10	15.5 Å²	15.5	5%	0.053	10%	0.104	C	C	.	.			trans	-70.7	131.5	179.8	-170	-0.7	0	0	0	110.2	R333 Q334 G339 S341 T342	R333-D337 HydrophobicContact CG-CB 3.85Å; Q334-D337 HydrophobicContact CB-CB 4.25Å; Q334-D337 WeakPolarHBondContact O-CB 3.43Å; Q334-D337 PolarHBondContact O-N 3.2Å; D337-G339 PolarHBondContact OD1-N 3.42Å; D337-S341 PolarHBondContact OD2-N 3.03Å; D337-S341 PolarHBondContact OD2-OG 3.28Å; D337-T342 HydrophobicContact CB-CG2 4.1Å; D337-T342 WeakPolarHBondContact CB-OG1 3.44Å; D337-T342 WeakPolarHBondContact OD2-CB 3.47Å; D337-T342 WeakPolarHBondContact OD2-CG2 3.32Å; D337-T342 PolarHBondContact OD2-N 2.98Å; D337-T342 PolarHBondContact OD2-OG1 3.35Å
338	T	83.2	Confident	95	Very high	86 Å²	86	15 Å²	15	53%	0.528	10%	0.101	S	C	.	.	S	Bend	trans	-95.8	-15	179.8	56.1	0	0	0	0	112.5	A125	A125-T338 WeakPolarHBondContact CB-O 3.46Å
339	G	85.9	Confident	95	Very high	35 Å²	35	15 Å²	15	36%	0.361	10%	0.101	S	C	.	.	S	Bend	trans	-115.1	-138.2	175.8	0	0	0	0	0	110.5	R333 D337	R333-G339 WeakPolarHBondContact CD-O 3.24Å; R333-G339 PolarHBondContact NE-O 2.87Å; R333-G339 PolarHBondContact NH1-O 3.12Å; R333-G339 PolarHBondContact NH2-O 2.77Å; D337-G339 PolarHBondContact OD1-N 3.42Å
340	S	90.4	Very high	95	Very high	75 Å²	75	15 Å²	15	52%	0.524	10%	0.101	S	C	.	.	S	Bend	trans	-127.2	21.7	177.2	63.5	0	0	0	0	111.8	T342 D343	S340-T342 VanDerWaalsContact C-N 3.26Å; S340-T342 PolarHBondContact O-N 2.69Å; S340-D343 WeakPolarHBondContact CB-OD2 3.41Å; S340-D343 WeakPolarHBondContact O-CB 3.46Å; S340-D343 PolarHBondContact O-N 2.94Å
341	S	92.8	Very high	95	Very high	57 Å²	57	15.3 Å²	15.3	40%	0.399	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-24.7	-169.8	77.9	0	0	0	0	112.4	R303 D337	R303-S341 PolarHBondContact NH1-O 2.77Å; R303-S341 PolarHBondContact NH2-OG 2.83Å; D337-S341 PolarHBondContact OD2-N 3.03Å; D337-S341 PolarHBondContact OD2-OG 3.28Å
342	T	95.8	Very high	95.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-4	179.9	63.8	0	0	0	0	113.4	Y299 Q334 W336 D337 S340 I344	Y299-T342 HydrophobicContact CD2-CG2 3.88Å; Y299-T342 HydrophobicContact CE2-CG2 4.12Å; Q334-T342 HydrophobicContact CB-CG2 4.25Å; Q334-T342 HydrophobicContact CG-CG2 3.78Å; Q334-T342 PolarHBondContact N-OG1 3.22Å; Q334-T342 VanDerWaalsContact N-OG1 3.17Å; W336-T342 HydrophobicContact CH2-CG2 3.71Å; W336-T342 HydrophobicContact CZ2-CG2 4.23Å; W336-T342 HydrophobicContact CZ3-CG2 4.23Å; D337-T342 HydrophobicContact CB-CG2 4.1Å; D337-T342 WeakPolarHBondContact CB-OG1 3.44Å; D337-T342 WeakPolarHBondContact OD2-CB 3.47Å; D337-T342 WeakPolarHBondContact OD2-CG2 3.32Å; D337-T342 PolarHBondContact OD2-N 2.98Å; D337-T342 PolarHBondContact OD2-OG1 3.35Å; S340-T342 VanDerWaalsContact C-N 3.26Å; S340-T342 PolarHBondContact O-N 2.69Å; T342-I344 PolarHBondContact O-N 3.01Å
343	D	96	Very high	95.1	Very high	6 Å²	6	19.6 Å²	19.6	3%	0.032	12%	0.122	C	C	.	.			trans	-63.4	126.5	-175.4	-68.8	14.6	0	0	0	111.5	K302 M331 R333 S340	K302-D343 WeakPolarHBondContact CD-O 3.15Å; K302-D343 VanDerWaalsContact CE-O 3.25Å; K302-D343 WeakPolarHBondContact CE-O 3.08Å; K302-D343 PolarHBondContact NZ-O 2.98Å; M331-D343 HydrophobicContact CB-CB 4.28Å; M331-D343 HydrophobicContact CE-CB 3.61Å; R333-D343 WeakPolarHBondContact CB-OD1 3.29Å; R333-D343 VanDerWaalsContact CG-OD1 3.3Å; R333-D343 WeakPolarHBondContact CG-OD1 3.44Å; R333-D343 IonicContact CZ-OD1 3.57Å; R333-D343 IonicContact CZ-OD2 3.72Å; R333-D343 IonicContact NE-OD1 3.3Å; R333-D343 PolarHBondContact NE-OD1 3.27Å; R333-D343 IonicContact NE-OD2 3.56Å; R333-D343 IonicContact NH2-OD1 3.65Å; R333-D343 PolarHBondContact NH2-OD1 3.26Å; R333-D343 IonicContact NH2-OD2 3.01Å; R333-D343 PolarHBondContact NH2-OD2 3.03Å; S340-D343 WeakPolarHBondContact CB-OD2 3.41Å; S340-D343 WeakPolarHBondContact O-CB 3.46Å; S340-D343 PolarHBondContact O-N 2.94Å
344	I	97.1	Very high	95.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	139	166.8	-165.8	171.3	0	0	0	109.3	P298 L301 V306 T307 M309 M331 W332 T342 C346	P298-I344 HydrophobicContact CB-CG2 3.28Å; L301-I344 HydrophobicContact CB-CD1 3.78Å; L301-I344 HydrophobicContact CD1-CD1 4.44Å; V306-I344 HydrophobicContact CG1-CD1 4.31Å; T307-I344 WeakPolarHBondContact O-CG1 3.16Å; M309-I344 HydrophobicContact CB-CD1 4.14Å; M309-I344 HydrophobicContact CG-CD1 4.17Å; M309-I344 HydrophobicContact CG-CG1 4.44Å; M309-I344 HydrophobicContact CG-CG2 4.26Å; M309-I344 HydrophobicContact SD-CD1 4.14Å; M309-I344 HydrophobicContact SD-CG2 3.76Å; M331-I344 CarbonylContact C-O 3.6Å; M331-I344 WeakPolarHBondContact CA-O 3.47Å; W332-I344 HydrophobicContact CB-CG2 4.14Å; W332-I344 PolarHBondContact N-O 3.2Å; W332-I344 PolarHBondContact O-N 2.51Å; T342-I344 PolarHBondContact O-N 3.01Å; I344-C346 PolarHBondContact O-N 2.81Å
345	F	98.1	Very high	95.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	116.7	179.1	-172.5	-127.8	0	0	0	110	T307 S308 M309 E329 M331 F468 L471 Y472 F486	T307-F345 PolarHBondContact O-N 3.06Å; S308-F345 CarbonylContact C-O 3.51Å; S308-F345 WeakPolarHBondContact CA-O 3.4Å; M309-F345 PolarHBondContact N-O 2.88Å; E329-F345 HydrophobicContact CB-CE2 4.12Å; E329-F345 HydrophobicContact CB-CZ 3.96Å; E329-F345 HydrophobicContact CG-CZ 4.42Å; M331-F345 HydrophobicContact CE-CB 4.22Å; M331-F345 HydrophobicContact SD-CB 3.81Å; M331-F345 HydrophobicContact SD-CD2 3.59Å; M331-F345 VanDerWaalsContact SD-CD2 3.59Å; M331-F345 HydrophobicContact SD-CG 4.11Å; F345-F468 AromaticContact CD1-CD1 3.63Å; F345-F468 HydrophobicContact CD1-CD1 3.63Å; F345-F468 AromaticContact CD1-CE1 3.59Å; F345-F468 HydrophobicContact CD1-CE1 3.59Å; F345-F468 AromaticContact CE1-CD1 3.82Å; F345-F468 HydrophobicContact CE1-CD1 3.82Å; F345-F468 AromaticContact CE1-CE1 3.78Å; F345-F468 HydrophobicContact CE1-CE1 3.78Å; F345-L471 HydrophobicContact CE1-CD1 3.76Å; F345-L471 HydrophobicContact CE1-CD2 3.54Å; F345-L471 HydrophobicContact CE1-CG 4.24Å; F345-L471 HydrophobicContact CZ-CD1 3.94Å; F345-L471 HydrophobicContact CZ-CD2 3.71Å; F345-L471 HydrophobicContact CZ-CG 4.5Å; F345-Y472 VanDerWaalsContact CB-OH 3.31Å; F345-Y472 WeakPolarHBondContact CB-OH 3.42Å; F345-Y472 HydrophobicContact CD1-CE1 4.4Å; F345-F486 HydrophobicContact CE2-CB 4.28Å; F345-F486 AromaticContact CE2-CD1 3.57Å; F345-F486 HydrophobicContact CE2-CD1 3.57Å; F345-F486 HydrophobicContact CE2-CE1 4.01Å; F345-F486 AromaticContact CE2-CG 3.91Å; F345-F486 HydrophobicContact CE2-CG 3.91Å; F345-F486 AromaticContact CZ-CD1 3.77Å; F345-F486 HydrophobicContact CZ-CD1 3.77Å; F345-F486 AromaticContact CZ-CE1 3.69Å; F345-F486 HydrophobicContact CZ-CE1 3.69Å; F345-F486 HydrophobicContact CZ-CG 4.34Å; F345-F486 HydrophobicContact CZ-CZ 4.2Å
346	C	98.6	Very high	95.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	130.5	-172.9	-174.3	0	0	0	0	111	M309 I311 E329 F330 W332 I344	M309-C346 HydrophobicContact CG-CB 3.9Å; M309-C346 CarbonylContact O-C 3.58Å; M309-C346 WeakPolarHBondContact O-CA 3.32Å; I311-C346 VanDerWaalsContact CD1-SG 3.58Å; E329-C346 WeakPolarHBondContact CA-O 3.31Å; F330-C346 HydrophobicContact CD2-CB 4.03Å; F330-C346 HydrophobicContact CE2-CB 3.69Å; F330-C346 HydrophobicContact CZ-CB 4.01Å; F330-C346 PolarHBondContact N-O 3.29Å; F330-C346 PolarHBondContact O-N 2.86Å; W332-C346 HydrophobicContact CB-CB 4.22Å; W332-C346 HydrophobicContact CE3-CB 4.32Å; I344-C346 PolarHBondContact O-N 2.81Å
347	H	98.8	Very high	95.9	Very high	1 Å²	1	19 Å²	19	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	118.1	169.8	-178.6	102.3	0	0	0	110	M309 L310 I311 E329 Y414 Y467 F468	M309-H347 PolarHBondContact O-N 3.35Å; L310-H347 VanDerWaalsContact CA-O 3.27Å; L310-H347 WeakPolarHBondContact CA-O 3.47Å; L310-H347 HydrophobicContact CB-CB 4.45Å; L310-H347 HydrophobicContact CD1-CB 4.44Å; I311-H347 PolarHBondContact N-O 2.94Å; E329-H347 IonicContact OE1-ND1 3.63Å; H347-Y414 AromaticContact CE1-CE1 3.29Å; H347-Y414 WeakPolarHBondContact CE1-CE1 3.46Å; H347-Y414 AromaticContact CE1-CZ 3.39Å; H347-Y414 PolarHBondContact CE1-OH 3.45Å; H347-Y414 AromaticContact ND1-CE1 3.85Å; H347-Y414 AromaticContact NE2-CE1 3.87Å; H347-Y414 AromaticContact NE2-CZ 3.68Å; H347-Y414 PolarHBondContact NE2-OH 3.38Å; H347-Y414 VanDerWaalsContact NE2-OH 3.15Å; H347-Y467 PolarHBondContact CE1-OH 3.19Å; H347-Y467 AromaticContact ND1-CE1 3.89Å; H347-Y467 AromaticContact ND1-CZ 3.64Å; H347-Y467 PolarHBondContact ND1-OH 2.96Å; H347-F468 HydrophobicContact CB-CE1 4.2Å; H347-F468 HydrophobicContact CB-CZ 3.93Å
348	M	98.9	Very high	96.3	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	119	169.3	179.8	-177.5	-46.9	0	0	109.7	I311 I314 K319 F322 L328 F330 Y414 F493	I311-M348 HydrophobicContact CG1-CB 4.21Å; I311-M348 HydrophobicContact CG1-CG 4.47Å; I314-M348 HydrophobicContact CB-SD 4.34Å; I314-M348 HydrophobicContact CD1-CE 3.29Å; I314-M348 HydrophobicContact CD1-CG 3.85Å; I314-M348 HydrophobicContact CD1-SD 3.65Å; I314-M348 HydrophobicContact CG2-CE 4.35Å; I314-M348 HydrophobicContact CG2-SD 4.22Å; K319-M348 HydrophobicContact CG-SD 4.16Å; F322-M348 HydrophobicContact CD2-CE 3.55Å; F322-M348 HydrophobicContact CD2-SD 4.08Å; F322-M348 HydrophobicContact CE2-CE 3.72Å; L328-M348 HydrophobicContact CB-CB 4.44Å; L328-M348 HydrophobicContact CD2-CB 4.07Å; L328-M348 HydrophobicContact CD2-CG 3.88Å; L328-M348 HydrophobicContact CD2-SD 3.77Å; L328-M348 VanDerWaalsContact O-CB 3.29Å; L328-M348 WeakPolarHBondContact O-CB 3.5Å; L328-M348 PolarHBondContact O-N 3.32Å; F330-M348 HydrophobicContact CE1-CB 4.14Å; F330-M348 HydrophobicContact CE1-CE 3.83Å; F330-M348 HydrophobicContact CZ-CE 4.2Å; M348-Y414 PolarHBondContact O-OH 3.03Å; M348-F493 HydrophobicContact CE-CD1 4.22Å; M348-F493 HydrophobicContact CE-CE1 3.49Å; M348-F493 VanDerWaalsContact CE-CE1 3.49Å; M348-F493 HydrophobicContact CE-CE2 4.47Å; M348-F493 HydrophobicContact CE-CZ 3.64Å
349	M	98.9	Very high	97	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.005	10%	0.098	C	C	.	.	P	Polyproline II helix	trans	-64.5	145.3	172.1	-74.3	175.6	64.5	0	0	111	V288 L310 I311 Q312 K319 T359 P422	V288-M349 HydrophobicContact CG1-SD 4.16Å; L310-M349 HydrophobicContact CD1-CG 4.07Å; L310-M349 HydrophobicContact CD1-SD 4.38Å; L310-M349 HydrophobicContact CD2-CG 4.08Å; L310-M349 HydrophobicContact CD2-SD 3.71Å; L310-M349 HydrophobicContact CG-CG 4.21Å; L310-M349 HydrophobicContact CG-SD 4.44Å; I311-M349 PolarHBondContact O-N 3.43Å; Q312-M349 HydrophobicContact CB-CB 4.44Å; Q312-M349 HydrophobicContact CB-SD 4.02Å; Q312-M349 HydrophobicContact CG-SD 4.34Å; K319-M349 PolarHBondContact NZ-O 3.13Å; M349-T359 HydrophobicContact CE-CG2 3.49Å; M349-T359 VanDerWaalsContact CE-CG2 3.49Å; M349-P422 HydrophobicContact CE-CG 3.97Å; M349-P422 HydrophobicContact SD-CG 4.25Å
350	P	98.6	Very high	97.6	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.013	8%	0.081	C	C	.	.			trans	-91.3	-20.4	-163.9	26.1	-17	0	0	0	114.3	L328 K410 L413 Y414	L328-P350 HydrophobicContact CD1-CB 3.73Å; P350-K410 HydrophobicContact CG-CG 4.48Å; P350-L413 HydrophobicContact CB-CD1 3.72Å; P350-L413 HydrophobicContact CG-CD1 4.08Å; P350-Y414 WeakPolarHBondContact CD-OH 3.42Å; P350-Y414 HydrophobicContact CG-CE2 4.3Å; P350-Y414 WeakPolarHBondContact CG-OH 3.26Å
351	F	98.7	Very high	98	Very high	5 Å²	5	10.8 Å²	10.8	2%	0.022	6%	0.057	C	C	.	.	S	Bend	trans	-112.2	-178.8	-165.2	-55.7	-47	0	0	0	112.5	W148 Q312 K319 H358 G361 P362 K410 L413	W148-F351 HydrophobicContact CD2-CD1 4.16Å; W148-F351 AromaticContact CD2-CE1 3.96Å; W148-F351 HydrophobicContact CD2-CE1 3.96Å; W148-F351 AromaticContact CE2-CD1 3.77Å; W148-F351 AromaticContact CE2-CE1 3.94Å; W148-F351 HydrophobicContact CE3-CE1 4.3Å; W148-F351 HydrophobicContact CG-CD1 4.37Å; W148-F351 HydrophobicContact CG-CE1 4.36Å; W148-F351 HydrophobicContact CZ2-CD1 4.19Å; W148-F351 HydrophobicContact CZ2-CE1 4.28Å; W148-F351 AromaticContact NE1-CD1 3.7Å; Q312-F351 PolarHBondContact NE2-O 3.22Å; Q312-F351 PolarHBondContact OE1-O 2.7Å; K319-F351 WeakPolarHBondContact CE-O 3.37Å; K319-F351 PolarHBondContact NZ-O 2.82Å; F351-H358 HydrophobicContact CB-CB 4.16Å; F351-H358 VanDerWaalsContact CB-O 3.27Å; F351-H358 WeakPolarHBondContact CB-O 3.37Å; F351-H358 VanDerWaalsContact CD2-O 3.26Å; F351-H358 WeakPolarHBondContact CD2-O 3.28Å; F351-G361 VanDerWaalsContact CE2-O 3.32Å; F351-G361 WeakPolarHBondContact CE2-O 3.38Å; F351-P362 HydrophobicContact CE1-CB 4.08Å; F351-P362 HydrophobicContact CZ-CB 4.04Å; F351-K410 HydrophobicContact CE2-CD 4.07Å; F351-K410 HydrophobicContact CE2-CG 3.89Å; F351-K410 HydrophobicContact CZ-CG 4.2Å; F351-L413 HydrophobicContact CE1-CD1 3.78Å; F351-L413 HydrophobicContact CZ-CD1 3.79Å
352	Y	98.3	Very high	98.2	Very high	78 Å²	78	8.5 Å²	8.5	31%	0.306	4%	0.04	S	C	.	.	S	Bend	trans	-65	-40.2	-168.1	174.2	-98.4	0	0	0	114.7	Q312 D498	Q312-Y352 VanDerWaalsContact NE2-C 3.33Å; Q312-Y352 PolarHBondContact NE2-O 3.46Å; Y352-D498 WeakPolarHBondContact CD2-O 3.14Å; Y352-D498 HydrophobicContact CE2-CB 3.9Å; Y352-D498 WeakPolarHBondContact CE2-O 3.42Å; Y352-D498 PolarHBondContact OH-OD2 2.9Å
353	S	98.5	Very high	98.4	Very high	15 Å²	15	9.1 Å²	9.1	11%	0.105	4%	0.044	C	C	.	.			trans	-133.3	167.1	-175.2	-169.6	0	0	0	0	111.6	Q312 D355 H358	Q312-S353 VanDerWaalsContact NE2-CA 3.33Å; Q312-S353 PolarHBondContact NE2-O 2.98Å; S353-D355 PolarHBondContact OG-N 3.44Å; S353-H358 WeakPolarHBondContact O-CB 3.43Å
354	Y	98.5	Very high	98.5	Very high	6 Å²	6	9.4 Å²	9.4	2%	0.024	5%	0.046	C	C	.	.	S	Bend	trans	-90.6	0.9	168.7	56.1	-103.3	0	0	0	113	H175 V288 D289 Q312 T359 D426	H175-Y354 HydrophobicContact CB-CE2 4.23Å; V288-Y354 HydrophobicContact CB-CD1 3.82Å; V288-Y354 HydrophobicContact CB-CG 4.03Å; V288-Y354 HydrophobicContact CG2-CD1 4.02Å; V288-Y354 HydrophobicContact CG2-CE1 4.42Å; V288-Y354 HydrophobicContact CG2-CG 4.11Å; V288-Y354 WeakPolarHBondContact O-CD1 3.2Å; D289-Y354 HydrophobicContact CB-CE1 4.05Å; D289-Y354 WeakPolarHBondContact OD1-CE1 3.38Å; Q312-Y354 HydrophobicContact CG-CD1 4.35Å; Y354-T359 WeakPolarHBondContact O-CG2 3.23Å; Y354-D426 WeakPolarHBondContact CE2-OD1 3.38Å; Y354-D426 PolarHBondContact OH-OD1 2.88Å
355	D	98.6	Very high	98.5	Very high	22 Å²	22	13.5 Å²	13.5	12%	0.118	6%	0.064	C	C	.	.	S	Bend	trans	-67.1	163	174.9	71.9	4.6	0	0	0	112.4	S353 P357 H358 T359 G424 D425	S353-D355 PolarHBondContact OG-N 3.44Å; D355-P357 WeakPolarHBondContact OD1-CD 3.48Å; D355-H358 PolarHBondContact O-N 3.31Å; D355-H358 VanDerWaalsContact O-N 3.11Å; D355-H358 WeakPolarHBondContact OD1-CB 3.45Å; D355-H358 IonicContact OD1-CE1 3.06Å; D355-H358 IonicContact OD1-CG 2.85Å; D355-H358 PolarHBondContact OD1-N 2.84Å; D355-H358 IonicContact OD1-ND1 3.79Å; D355-H358 PolarHBondContact OD1-ND1 2.83Å; D355-H358 IonicContact OD2-CE1 3.63Å; D355-H358 IonicContact OD2-ND1 3.84Å; D355-H358 PolarHBondContact OD2-ND1 3.31Å; D355-T359 WeakPolarHBondContact O-CB 3.46Å; D355-T359 WeakPolarHBondContact O-CG2 3.31Å; D355-T359 PolarHBondContact O-N 2.91Å; D355-T359 PolarHBondContact O-OG1 2.81Å; D355-G424 WeakPolarHBondContact CA-O 3.45Å; D355-D425 HydrophobicContact CB-CB 4.49Å
356	V	98.6	Very high	98.6	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.006	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-54.9	-45.3	179.1	-175.1	0	0	0	0	113.3	H358 T359 D371 L423 G424	V356-H358 PolarHBondContact O-N 3.13Å; V356-H358 VanDerWaalsContact O-N 3.17Å; V356-T359 VanDerWaalsContact CA-OG1 3.26Å; V356-T359 WeakPolarHBondContact CA-OG1 3.47Å; V356-T359 PolarHBondContact O-N 3.22Å; V356-T359 PolarHBondContact O-OG1 3.1Å; V356-T359 VanDerWaalsContact O-OG1 3.11Å; V356-D371 HydrophobicContact CB-CB 3.91Å; V356-D371 HydrophobicContact CG1-CB 3.78Å; V356-D371 HydrophobicContact CG2-CB 4.38Å; V356-L423 HydrophobicContact CG1-CD1 3.88Å; V356-L423 HydrophobicContact CG2-CD1 3.81Å; V356-G424 WeakPolarHBondContact CG2-O 3.38Å; V356-G424 PolarHBondContact N-O 2.87Å
357	P	98.6	Very high	98.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-55	-29.9	175.9	-28.2	35.2	0	0	0	115.4	D355 P364 C367 C368 W384	D355-P357 WeakPolarHBondContact OD1-CD 3.48Å; P357-P364 HydrophobicContact CB-CB 4.03Å; P357-P364 VanDerWaalsContact O-CA 3.22Å; P357-P364 WeakPolarHBondContact O-CA 3.47Å; P357-P364 WeakPolarHBondContact O-CB 3.44Å; P357-C367 WeakPolarHBondContact O-CB 3.32Å; P357-C368 HydrophobicContact CB-CB 4.25Å; P357-C368 HydrophobicContact CG-CB 3.98Å; P357-W384 HydrophobicContact CB-CH2 3.75Å; P357-W384 HydrophobicContact CB-CZ3 3.66Å; P357-W384 HydrophobicContact CG-CH2 4.36Å; P357-W384 HydrophobicContact CG-CZ3 3.96Å
358	H	98.8	Very high	98.6	Very high	30 Å²	30	14.5 Å²	14.5	14%	0.139	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-110.8	21.6	-177.6	-55.8	94.7	0	0	0	113.2	F351 S353 D355 V356 W384	F351-H358 HydrophobicContact CB-CB 4.16Å; F351-H358 VanDerWaalsContact CB-O 3.27Å; F351-H358 WeakPolarHBondContact CB-O 3.37Å; F351-H358 VanDerWaalsContact CD2-O 3.26Å; F351-H358 WeakPolarHBondContact CD2-O 3.28Å; S353-H358 WeakPolarHBondContact O-CB 3.43Å; D355-H358 PolarHBondContact O-N 3.31Å; D355-H358 VanDerWaalsContact O-N 3.11Å; D355-H358 WeakPolarHBondContact OD1-CB 3.45Å; D355-H358 IonicContact OD1-CE1 3.06Å; D355-H358 IonicContact OD1-CG 2.85Å; D355-H358 PolarHBondContact OD1-N 2.84Å; D355-H358 IonicContact OD1-ND1 3.79Å; D355-H358 PolarHBondContact OD1-ND1 2.83Å; D355-H358 IonicContact OD2-CE1 3.63Å; D355-H358 IonicContact OD2-ND1 3.84Å; D355-H358 PolarHBondContact OD2-ND1 3.31Å; V356-H358 PolarHBondContact O-N 3.13Å; V356-H358 VanDerWaalsContact O-N 3.17Å; H358-W384 AromaticContact CE1-CH2 3.89Å
359	T	98.6	Very high	98.5	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.5	-24	-178.4	45.3	0	0	0	0	114.1	M349 Y354 D355 V356 K410 P422	M349-T359 HydrophobicContact CE-CG2 3.49Å; M349-T359 VanDerWaalsContact CE-CG2 3.49Å; Y354-T359 WeakPolarHBondContact O-CG2 3.23Å; D355-T359 WeakPolarHBondContact O-CB 3.46Å; D355-T359 WeakPolarHBondContact O-CG2 3.31Å; D355-T359 PolarHBondContact O-N 2.91Å; D355-T359 PolarHBondContact O-OG1 2.81Å; V356-T359 VanDerWaalsContact CA-OG1 3.26Å; V356-T359 WeakPolarHBondContact CA-OG1 3.47Å; V356-T359 PolarHBondContact O-N 3.22Å; V356-T359 PolarHBondContact O-OG1 3.1Å; V356-T359 VanDerWaalsContact O-OG1 3.11Å; T359-K410 WeakPolarHBondContact O-CD 3.38Å; T359-K410 WeakPolarHBondContact O-CE 3.38Å; T359-K410 PolarHBondContact O-NZ 3.46Å; T359-P422 WeakPolarHBondContact CB-O 3.2Å; T359-P422 HydrophobicContact CG2-CB 3.96Å; T359-P422 HydrophobicContact CG2-CG 4.14Å; T359-P422 PolarHBondContact OG1-O 2.86Å; T359-P422 VanDerWaalsContact OG1-O 3.07Å
360	C	98.2	Very high	98.5	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.007	7%	0.073	C	C	.	.	S	Bend	trans	-73.2	-32.9	177.6	108.7	0	0	0	0	113.2	C367 L403 Y407	C360-C367 HydrophobicContact CB-CB 3.71Å; C360-C367 WeakPolarHBondContact CB-SG 3.21Å; C360-C367 WeakPolarHBondContact SG-CA 3.34Å; C360-C367 WeakPolarHBondContact SG-CB 3.4Å; C360-C367 CovalentContact SG-SG 2.03Å; C360-C367 PolarHBondContact SG-SG 3.36Å; C360-L403 HydrophobicContact CB-CD1 4.25Å; C360-Y407 HydrophobicContact CB-CE1 4.2Å; C360-Y407 VanDerWaalsContact O-CD1 3.31Å; C360-Y407 WeakPolarHBondContact O-CD1 3.47Å
361	G	98.4	Very high	98.5	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.01	7%	0.072	C	C	.	.			trans	170.3	-173.4	-172.7	0	0	0	0	0	112.2	F351 D363 C367	F351-G361 VanDerWaalsContact CE2-O 3.32Å; F351-G361 WeakPolarHBondContact CE2-O 3.38Å; G361-D363 PolarHBondContact O-N 3.06Å; G361-C367 PolarHBondContact N-SG 2.9Å
362	P	98.5	Very high	98.5	Very high	9 Å²	9	15 Å²	15	6%	0.058	7%	0.071	C	C	.	.	S	Bend	trans	-73.8	-22	-170.2	28.8	-37.4	0	0	0	115.4	W148 I154 F351 P364 K409	W148-P362 HydrophobicContact CB-CB 3.84Å; W148-P362 WeakPolarHBondContact CB-O 3.27Å; W148-P362 HydrophobicContact CG-CB 4.38Å; I154-P362 HydrophobicContact CD1-CB 3.93Å; I154-P362 HydrophobicContact CD1-CG 4.04Å; F351-P362 HydrophobicContact CE1-CB 4.08Å; F351-P362 HydrophobicContact CZ-CB 4.04Å; P362-P364 VanDerWaalsContact O-CD 3.23Å; P362-P364 WeakPolarHBondContact O-CD 3.25Å; P362-K409 HydrophobicContact CG-CB 3.79Å; P362-K409 HydrophobicContact CG-CD 3.95Å; P362-K409 HydrophobicContact CG-CG 4.44Å
363	D	98.6	Very high	98.4	Very high	14 Å²	14	13.2 Å²	13.2	8%	0.075	7%	0.065	C	C	.	.			trans	-100.4	101.6	-179.2	-171	-10.1	0	0	0	111.5	V147 G361 K365 I366 C367	V147-D363 HydrophobicContact CB-CB 3.98Å; V147-D363 HydrophobicContact CG2-CB 3.91Å; G361-D363 PolarHBondContact O-N 3.06Å; D363-K365 PolarHBondContact O-N 3.37Å; D363-K365 WeakPolarHBondContact OD1-CB 3.29Å; D363-K365 PolarHBondContact OD1-N 3.37Å; D363-I366 HydrophobicContact CB-CB 4.23Å; D363-I366 HydrophobicContact CB-CD1 4.02Å; D363-I366 HydrophobicContact CB-CG1 4.18Å; D363-I366 PolarHBondContact O-N 3.46Å; D363-C367 PolarHBondContact O-N 3.42Å
364	P	98.4	Very high	98.4	Very high	12 Å²	12	13.6 Å²	13.6	8%	0.078	6%	0.064	C	C	.	.	H	α-helix	trans	-68.7	-19.7	-178.6	30.7	-37.8	0	0	0	113.5	P357 P362 I366 C368 W384	P357-P364 HydrophobicContact CB-CB 4.03Å; P357-P364 VanDerWaalsContact O-CA 3.22Å; P357-P364 WeakPolarHBondContact O-CA 3.47Å; P357-P364 WeakPolarHBondContact O-CB 3.44Å; P362-P364 VanDerWaalsContact O-CD 3.23Å; P362-P364 WeakPolarHBondContact O-CD 3.25Å; P364-I366 VanDerWaalsContact C-N 3.29Å; P364-I366 PolarHBondContact O-N 2.92Å; P364-C368 WeakPolarHBondContact O-CB 3.3Å; P364-C368 PolarHBondContact O-N 3.04Å; P364-W384 HydrophobicContact CB-CD2 4.38Å; P364-W384 HydrophobicContact CB-CE3 4.49Å; P364-W384 HydrophobicContact CB-CH2 3.6Å; P364-W384 HydrophobicContact CB-CZ2 3.42Å; P364-W384 VanDerWaalsContact CB-CZ2 3.42Å; P364-W384 HydrophobicContact CB-CZ3 4.13Å; P364-W384 HydrophobicContact CG-CH2 4.25Å; P364-W384 HydrophobicContact CG-CZ2 3.53Å
365	K	98.3	Very high	98.3	Very high	86 Å²	86	14.2 Å²	14.2	37%	0.374	7%	0.068	S	C	.	.	H	α-helix	trans	-66.7	-33.3	171	176.7	-174.4	68.7	-173.5	0	111.3	D363 Q369 W384 V386	D363-K365 PolarHBondContact O-N 3.37Å; D363-K365 WeakPolarHBondContact OD1-CB 3.29Å; D363-K365 PolarHBondContact OD1-N 3.37Å; K365-Q369 WeakPolarHBondContact O-CG 3.26Å; K365-Q369 PolarHBondContact O-NE2 2.91Å; K365-W384 HydrophobicContact CB-CB 3.6Å; K365-W384 HydrophobicContact CB-CG 3.76Å; K365-W384 HydrophobicContact CD-CB 4.49Å; K365-W384 HydrophobicContact CG-CB 3.68Å; K365-W384 HydrophobicContact CG-CG 4.38Å; K365-V386 HydrophobicContact CD-CG2 4.4Å; K365-V386 HydrophobicContact CG-CG2 4.12Å
366	I	98.6	Very high	98	Very high	22 Å²	22	17.4 Å²	17.4	11%	0.113	9%	0.09	C	C	.	.	H	α-helix	trans	-79.6	-52.3	175	-66.4	173.1	0	0	0	109.6	D363 P364 C368 Q369 F370 L402 Q406	D363-I366 HydrophobicContact CB-CB 4.23Å; D363-I366 HydrophobicContact CB-CD1 4.02Å; D363-I366 HydrophobicContact CB-CG1 4.18Å; D363-I366 PolarHBondContact O-N 3.46Å; P364-I366 VanDerWaalsContact C-N 3.29Å; P364-I366 PolarHBondContact O-N 2.92Å; I366-C368 VanDerWaalsContact C-N 3.27Å; I366-C368 PolarHBondContact O-N 2.83Å; I366-Q369 VanDerWaalsContact O-CB 3.27Å; I366-Q369 WeakPolarHBondContact O-CB 3.19Å; I366-Q369 PolarHBondContact O-N 3.44Å; I366-F370 HydrophobicContact CG2-CD2 4.48Å; I366-F370 HydrophobicContact CG2-CE2 3.9Å; I366-F370 WeakPolarHBondContact O-CD2 3.49Å; I366-L402 HydrophobicContact CD1-CD1 3.88Å; I366-L402 HydrophobicContact CG1-CD1 4.25Å; I366-L402 HydrophobicContact CG2-CD1 3.96Å; I366-L402 HydrophobicContact CG2-CD2 3.97Å; I366-L402 HydrophobicContact CG2-CG 3.63Å; I366-Q406 HydrophobicContact CB-CG 4.16Å; I366-Q406 HydrophobicContact CG2-CG 3.58Å
367	C	98.7	Very high	97.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-58.8	-36.2	-177	-66.8	0	0	0	0	113.7	P357 C360 G361 D363 Q369 F370	P357-C367 WeakPolarHBondContact O-CB 3.32Å; C360-C367 HydrophobicContact CB-CB 3.71Å; C360-C367 WeakPolarHBondContact CB-SG 3.21Å; C360-C367 WeakPolarHBondContact SG-CA 3.34Å; C360-C367 WeakPolarHBondContact SG-CB 3.4Å; C360-C367 CovalentContact SG-SG 2.03Å; C360-C367 PolarHBondContact SG-SG 3.36Å; G361-C367 PolarHBondContact N-SG 2.9Å; D363-C367 PolarHBondContact O-N 3.42Å; C367-Q369 PolarHBondContact O-N 2.91Å; C367-Q369 VanDerWaalsContact O-N 3.16Å; C367-F370 PolarHBondContact O-N 3.03Å
368	C	98.5	Very high	96.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-60.7	-25.8	176.1	-166.4	0	0	0	0	113.1	P357 P364 I366 F370 D371 R374 C382 W384	P357-C368 HydrophobicContact CB-CB 4.25Å; P357-C368 HydrophobicContact CG-CB 3.98Å; P364-C368 WeakPolarHBondContact O-CB 3.3Å; P364-C368 PolarHBondContact O-N 3.04Å; I366-C368 VanDerWaalsContact C-N 3.27Å; I366-C368 PolarHBondContact O-N 2.83Å; C368-F370 PolarHBondContact O-N 3.05Å; C368-D371 PolarHBondContact O-N 3.13Å; C368-R374 WeakPolarHBondContact SG-CD 3.42Å; C368-C382 HydrophobicContact CB-CB 3.96Å; C368-C382 WeakPolarHBondContact CB-SG 3.18Å; C368-C382 PolarHBondContact O-SG 3.48Å; C368-C382 WeakPolarHBondContact SG-CA 3.43Å; C368-C382 WeakPolarHBondContact SG-CB 3.39Å; C368-C382 CovalentContact SG-SG 2.04Å; C368-C382 PolarHBondContact SG-SG 3.1Å; C368-W384 HydrophobicContact CB-CE3 3.84Å; C368-W384 HydrophobicContact CB-CZ3 3.95Å
369	Q	98.6	Very high	96.1	Very high	17 Å²	17	34.2 Å²	34.2	8%	0.079	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-74.7	-5.2	175.2	-55.8	168.5	45.6	0	0	113.5	K365 I366 C367 V386 P388 R399	K365-Q369 WeakPolarHBondContact O-CG 3.26Å; K365-Q369 PolarHBondContact O-NE2 2.91Å; I366-Q369 VanDerWaalsContact O-CB 3.27Å; I366-Q369 WeakPolarHBondContact O-CB 3.19Å; I366-Q369 PolarHBondContact O-N 3.44Å; C367-Q369 PolarHBondContact O-N 2.91Å; C367-Q369 VanDerWaalsContact O-N 3.16Å; Q369-V386 VanDerWaalsContact CD-CG1 3.46Å; Q369-V386 HydrophobicContact CG-CB 4.26Å; Q369-V386 HydrophobicContact CG-CG1 3.87Å; Q369-P388 WeakPolarHBondContact O-CA 3.24Å; Q369-P388 WeakPolarHBondContact O-CB 3.31Å; Q369-R399 PolarHBondContact O-NH2 2.95Å
370	F	98.7	Very high	95.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-112.1	12.5	172.8	-59.1	-84	0	0	0	111.6	I366 C367 C368 F372 R399 L402 L403 Y442 L445	I366-F370 HydrophobicContact CG2-CD2 4.48Å; I366-F370 HydrophobicContact CG2-CE2 3.9Å; I366-F370 WeakPolarHBondContact O-CD2 3.49Å; C367-F370 PolarHBondContact O-N 3.03Å; C368-F370 PolarHBondContact O-N 3.05Å; F370-F372 HydrophobicContact CD1-CZ 4.23Å; F370-R399 HydrophobicContact CE1-CB 4.32Å; F370-R399 WeakPolarHBondContact CE1-O 3.09Å; F370-R399 VanDerWaalsContact CE2-NH2 3.28Å; F370-R399 VanDerWaalsContact CZ-O 3.29Å; F370-R399 WeakPolarHBondContact CZ-O 3.36Å; F370-L402 HydrophobicContact CE2-CD2 4.19Å; F370-L402 HydrophobicContact CE2-CG 4.29Å; F370-L402 HydrophobicContact CZ-CB 4.25Å; F370-L402 HydrophobicContact CZ-CD2 4.23Å; F370-L402 HydrophobicContact CZ-CG 4.34Å; F370-L403 HydrophobicContact CB-CD1 4.37Å; F370-L403 HydrophobicContact CD1-CB 4.23Å; F370-L403 HydrophobicContact CD1-CD1 4.17Å; F370-L403 HydrophobicContact CD1-CD2 3.91Å; F370-L403 HydrophobicContact CD1-CG 4.34Å; F370-L403 HydrophobicContact CD2-CD1 3.85Å; F370-L403 HydrophobicContact CE1-CB 3.69Å; F370-L403 HydrophobicContact CE1-CD1 4.43Å; F370-L403 HydrophobicContact CE1-CD2 4.09Å; F370-L403 HydrophobicContact CE1-CG 4.29Å; F370-L403 HydrophobicContact CE2-CB 4.02Å; F370-L403 HydrophobicContact CE2-CD1 4.11Å; F370-L403 HydrophobicContact CG-CD1 3.87Å; F370-L403 HydrophobicContact CG-CD2 4.39Å; F370-L403 HydrophobicContact CZ-CB 3.56Å; F370-L403 HydrophobicContact CZ-CD1 4.39Å; F370-L403 HydrophobicContact CZ-CG 4.42Å; F370-Y442 WeakPolarHBondContact CB-OH 3.32Å; F370-Y442 VanDerWaalsContact O-CE2 3.25Å; F370-Y442 WeakPolarHBondContact O-CE2 3.49Å; F370-Y442 PolarHBondContact O-OH 3.36Å; F370-L445 HydrophobicContact CD1-CD1 3.92Å; F370-L445 HydrophobicContact CE1-CD1 4.04Å
371	D	98.4	Very high	95.5	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	24%	0.236	C	C	.	.			trans	-91.8	96.1	159.6	-176.9	-16.5	0	0	0	109.1	V356 C368 K373 R374 P388 R428	V356-D371 HydrophobicContact CB-CB 3.91Å; V356-D371 HydrophobicContact CG1-CB 3.78Å; V356-D371 HydrophobicContact CG2-CB 4.38Å; C368-D371 PolarHBondContact O-N 3.13Å; D371-K373 PolarHBondContact O-N 2.9Å; D371-K373 WeakPolarHBondContact OD1-CB 3.35Å; D371-K373 PolarHBondContact OD1-N 2.88Å; D371-R374 HydrophobicContact CB-CG 4.15Å; D371-R374 WeakPolarHBondContact O-CB 3.48Å; D371-R374 PolarHBondContact O-N 2.89Å; D371-R374 IonicContact OD2-CZ 2.57Å; D371-R374 IonicContact OD2-NE 3.48Å; D371-R374 PolarHBondContact OD2-NE 3.2Å; D371-R374 IonicContact OD2-NH2 3.41Å; D371-P388 WeakPolarHBondContact O-CG 3.45Å; D371-R428 IonicContact OD1-CZ 2.75Å; D371-R428 IonicContact OD1-NH2 3.52Å; D371-R428 PolarHBondContact OD1-NH2 3.45Å; D371-R428 IonicContact OD2-NH2 3.88Å; D371-R428 PolarHBondContact OD2-NH2 3.28Å
372	F	98.2	Very high	95.4	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-74.3	-6.9	-176.7	-58	-72.4	0	0	0	114.2	F370 R374 L375 P388 K389 V391 Q437 Q438 N441 Y442 L445	F370-F372 HydrophobicContact CD1-CZ 4.23Å; F372-R374 PolarHBondContact O-N 2.94Å; F372-L375 HydrophobicContact CB-CD1 4.18Å; F372-L375 HydrophobicContact CB-CG 4.43Å; F372-L375 HydrophobicContact CD1-CD2 4.48Å; F372-L375 WeakPolarHBondContact O-CD1 3.32Å; F372-L375 VanDerWaalsContact O-CG 3.25Å; F372-L375 WeakPolarHBondContact O-CG 3.47Å; F372-L375 PolarHBondContact O-N 2.69Å; F372-P388 HydrophobicContact CD1-CB 4.36Å; F372-K389 WeakPolarHBondContact CE1-O 3.27Å; F372-V391 HydrophobicContact CE1-CG2 4.04Å; F372-V391 HydrophobicContact CZ-CG2 3.85Å; F372-Q437 HydrophobicContact CB-CB 4.1Å; F372-Q437 PolarHBondContact O-OE1 2.62Å; F372-Q438 VanDerWaalsContact CD2-OE1 3.3Å; F372-N441 HydrophobicContact CD1-CB 3.86Å; F372-N441 HydrophobicContact CD2-CB 3.53Å; F372-N441 HydrophobicContact CE1-CB 3.68Å; F372-N441 HydrophobicContact CE2-CB 3.34Å; F372-N441 HydrophobicContact CG-CB 3.8Å; F372-N441 HydrophobicContact CZ-CB 3.43Å; F372-N441 VanDerWaalsContact CZ-CB 3.43Å; F372-Y442 AromaticContact CD2-CD2 3.83Å; F372-Y442 HydrophobicContact CD2-CD2 3.83Å; F372-Y442 AromaticContact CD2-CE2 3.77Å; F372-Y442 HydrophobicContact CD2-CE2 3.77Å; F372-Y442 AromaticContact CE2-CD2 3.6Å; F372-Y442 HydrophobicContact CE2-CD2 3.6Å; F372-Y442 AromaticContact CE2-CE2 3.57Å; F372-Y442 HydrophobicContact CE2-CE2 3.57Å; F372-Y442 HydrophobicContact CE2-CG 4.4Å; F372-L445 HydrophobicContact CZ-CD1 4.28Å
373	K	96.8	Very high	95.3	Very high	41 Å²	41	46.9 Å²	46.9	18%	0.178	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-67.8	-21.6	167.1	-174	177.5	-168.9	144.2	0	111.6	D371 L375 I380 R428 D430 E434	D371-K373 PolarHBondContact O-N 2.9Å; D371-K373 WeakPolarHBondContact OD1-CB 3.35Å; D371-K373 PolarHBondContact OD1-N 2.88Å; K373-L375 VanDerWaalsContact C-N 3.31Å; K373-I380 HydrophobicContact CD-CD1 4.09Å; K373-I380 HydrophobicContact CG-CD1 4.48Å; K373-R428 VanDerWaalsContact CB-NH1 3.35Å; K373-D430 IonicContact NZ-OD1 3.61Å; K373-D430 PolarHBondContact NZ-OD1 3.43Å; K373-E434 HydrophobicContact CB-CG 4.2Å; K373-E434 HydrophobicContact CD-CG 4.24Å; K373-E434 WeakPolarHBondContact CD-OE1 3.47Å; K373-E434 WeakPolarHBondContact CE-OE2 3.47Å; K373-E434 HydrophobicContact CG-CG 4.21Å; K373-E434 IonicContact NZ-OE1 3.39Å; K373-E434 PolarHBondContact NZ-OE1 3.04Å; K373-E434 IonicContact NZ-OE2 3.07Å; K373-E434 PolarHBondContact NZ-OE2 2.89Å
374	R	97.3	Very high	95.2	Very high	23 Å²	23	50.5 Å²	50.5	9%	0.087	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-92.2	14.8	-179	-55	-179.3	-172.4	-131.1	6	113.1	C368 D371 F372 I380 N381 P388 D425	C368-R374 WeakPolarHBondContact SG-CD 3.42Å; D371-R374 HydrophobicContact CB-CG 4.15Å; D371-R374 WeakPolarHBondContact O-CB 3.48Å; D371-R374 PolarHBondContact O-N 2.89Å; D371-R374 IonicContact OD2-CZ 2.57Å; D371-R374 IonicContact OD2-NE 3.48Å; D371-R374 PolarHBondContact OD2-NE 3.2Å; D371-R374 IonicContact OD2-NH2 3.41Å; F372-R374 PolarHBondContact O-N 2.94Å; R374-I380 WeakPolarHBondContact CA-O 3.26Å; R374-I380 HydrophobicContact CG-CB 4.46Å; R374-I380 HydrophobicContact CG-CG2 3.92Å; R374-N381 PolarHBondContact NH1-O 3.1Å; R374-N381 VanDerWaalsContact NH1-O 3.15Å; R374-P388 HydrophobicContact CB-CG 3.99Å; R374-P388 WeakPolarHBondContact O-CD 3.44Å; R374-P388 WeakPolarHBondContact O-CG 3.49Å; R374-D425 IonicContact NH2-OD2 3.81Å
375	L	96.3	Very high	95.1	Very high	18 Å²	18	59 Å²	59	9%	0.094	31%	0.313	C	S	.	.			trans	-54.5	141.4	173.4	-78.2	168.2	0	0	0	111.2	F372 K373 G378 P388 Q437	F372-L375 HydrophobicContact CB-CD1 4.18Å; F372-L375 HydrophobicContact CB-CG 4.43Å; F372-L375 HydrophobicContact CD1-CD2 4.48Å; F372-L375 WeakPolarHBondContact O-CD1 3.32Å; F372-L375 VanDerWaalsContact O-CG 3.25Å; F372-L375 WeakPolarHBondContact O-CG 3.47Å; F372-L375 PolarHBondContact O-N 2.69Å; K373-L375 VanDerWaalsContact C-N 3.31Å; L375-G378 PolarHBondContact O-N 2.86Å; L375-P388 HydrophobicContact CD2-CB 4.16Å; L375-P388 HydrophobicContact CD2-CG 4.13Å; L375-P388 HydrophobicContact CG-CG 4.24Å; L375-Q437 HydrophobicContact CD1-CB 4.41Å; L375-Q437 HydrophobicContact CD1-CG 4.04Å
376	P	93.6	Very high	95	Very high	90 Å²	90	57.5 Å²	57.5	58%	0.584	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	141.8	179.6	-27.6	34.6	0	0	0	112.8	P387	P376-P387 HydrophobicContact CG-CB 3.95Å; P376-P387 HydrophobicContact CG-CG 4.31Å
377	G	85.7	Confident	94.9	Very high	89 Å²	89	59.2 Å²	59.2	92%	0.918	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	95	-8.4	-175.4	0	0	0	0	0	114.4
378	G	83.5	Confident	94.9	Very high	41 Å²	41	59.3 Å²	59.3	42%	0.423	32%	0.324	S	S	.	.	S	Bend	trans	-83.1	177.7	171.4	0	0	0	0	0	114.4	L375	L375-G378 PolarHBondContact O-N 2.86Å
379	R	85.7	Confident	94.8	Very high	253 Å²	253	64.8 Å²	64.8	96%	0.955	35%	0.347	S	S	*	.	S	Bend	trans	-84.3	-14.9	175.7	-66.6	-174.5	-179.5	-175.4	0.1	113.9
380	I	90.9	Very high	94.8	Very high	72 Å²	72	67 Å²	67	37%	0.369	37%	0.365	S	S	.	.			trans	-117.3	131.2	-174.5	-53.9	170.8	0	0	0	107.8	K373 R374	K373-I380 HydrophobicContact CD-CD1 4.09Å; K373-I380 HydrophobicContact CG-CD1 4.48Å; R374-I380 WeakPolarHBondContact CA-O 3.26Å; R374-I380 HydrophobicContact CG-CB 4.46Å; R374-I380 HydrophobicContact CG-CG2 3.92Å
381	N	93.7	Very high	94.8	Very high	104 Å²	104	67.1 Å²	67.1	56%	0.556	37%	0.366	S	S	*	.			trans	-123.3	168	-178.4	-64.8	-39.8	0	0	0	110.9	R374 P383	R374-N381 PolarHBondContact NH1-O 3.1Å; R374-N381 VanDerWaalsContact NH1-O 3.15Å; N381-P383 WeakPolarHBondContact O-CD 3.25Å
382	C	96.4	Very high	94.8	Very high	12 Å²	12	70.3 Å²	70.3	8%	0.081	39%	0.385	C	S	.	.			trans	-79.2	121.1	170.7	-74.8	0	0	0	0	111.5	C368 W384 K385 V386	C368-C382 HydrophobicContact CB-CB 3.96Å; C368-C382 WeakPolarHBondContact CB-SG 3.18Å; C368-C382 PolarHBondContact O-SG 3.48Å; C368-C382 WeakPolarHBondContact SG-CA 3.43Å; C368-C382 WeakPolarHBondContact SG-CB 3.39Å; C368-C382 CovalentContact SG-SG 2.04Å; C368-C382 PolarHBondContact SG-SG 3.1Å; C382-W384 PolarHBondContact O-N 3.38Å; C382-W384 VanDerWaalsContact O-N 3.15Å; C382-K385 PolarHBondContact O-N 2.65Å; C382-V386 VanDerWaalsContact CB-O 3.3Å; C382-V386 WeakPolarHBondContact CB-O 3.34Å
383	P	96.1	Very high	94.7	Very high	90 Å²	90	79.3 Å²	79.3	58%	0.584	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-29.4	177.1	-26.2	34.7	0	0	0	113.5	N381 K385	N381-P383 WeakPolarHBondContact O-CD 3.25Å; P383-K385 PolarHBondContact O-N 2.92Å
384	W	97.5	Very high	94.7	Very high	90 Å²	90	82.3 Å²	82.3	34%	0.341	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	11.9	178.1	-55.1	-90.8	0	0	0	114.6	P357 H358 P364 K365 C368 C382 V386	P357-W384 HydrophobicContact CB-CH2 3.75Å; P357-W384 HydrophobicContact CB-CZ3 3.66Å; P357-W384 HydrophobicContact CG-CH2 4.36Å; P357-W384 HydrophobicContact CG-CZ3 3.96Å; H358-W384 AromaticContact CE1-CH2 3.89Å; P364-W384 HydrophobicContact CB-CD2 4.38Å; P364-W384 HydrophobicContact CB-CE3 4.49Å; P364-W384 HydrophobicContact CB-CH2 3.6Å; P364-W384 HydrophobicContact CB-CZ2 3.42Å; P364-W384 VanDerWaalsContact CB-CZ2 3.42Å; P364-W384 HydrophobicContact CB-CZ3 4.13Å; P364-W384 HydrophobicContact CG-CH2 4.25Å; P364-W384 HydrophobicContact CG-CZ2 3.53Å; K365-W384 HydrophobicContact CB-CB 3.6Å; K365-W384 HydrophobicContact CB-CG 3.76Å; K365-W384 HydrophobicContact CD-CB 4.49Å; K365-W384 HydrophobicContact CG-CB 3.68Å; K365-W384 HydrophobicContact CG-CG 4.38Å; C368-W384 HydrophobicContact CB-CE3 3.84Å; C368-W384 HydrophobicContact CB-CZ3 3.95Å; C382-W384 PolarHBondContact O-N 3.38Å; C382-W384 VanDerWaalsContact O-N 3.15Å; W384-V386 PolarHBondContact O-N 3.24Å
385	K	95.8	Very high	94.8	Very high	191 Å²	191	82.6 Å²	82.6	83%	0.83	46%	0.463	S	S	*	.	S	Bend	trans	62.8	11.2	171.3	-52	-179	-178.9	179.4	0	116.2	C382 P383	C382-K385 PolarHBondContact O-N 2.65Å; P383-K385 PolarHBondContact O-N 2.92Å
386	V	96.9	Very high	94.9	Very high	53 Å²	53	82.6 Å²	82.6	32%	0.321	46%	0.464	S	S	.	.			trans	-113	108.7	171	-170.4	0	0	0	0	108.1	K365 Q369 C382 W384	K365-V386 HydrophobicContact CD-CG2 4.4Å; K365-V386 HydrophobicContact CG-CG2 4.12Å; Q369-V386 VanDerWaalsContact CD-CG1 3.46Å; Q369-V386 HydrophobicContact CG-CB 4.26Å; Q369-V386 HydrophobicContact CG-CG1 3.87Å; C382-V386 VanDerWaalsContact CB-O 3.3Å; C382-V386 WeakPolarHBondContact CB-O 3.34Å; W384-V386 PolarHBondContact O-N 3.24Å
387	P	96.4	Very high	95.1	Very high	59 Å²	59	80.4 Å²	80.4	38%	0.383	45%	0.453	S	S	.	.			trans	-77.1	156.3	-178.5	31.6	-34.6	0	0	0	111.7	P376	P376-P387 HydrophobicContact CG-CB 3.95Å; P376-P387 HydrophobicContact CG-CG 4.31Å
388	P	97.8	Very high	95.7	Very high	1 Å²	1	80.7 Å²	80.7	1%	0.006	43%	0.431	C	S	.	.			trans	-61.6	157.4	165.9	29.6	-37.4	0	0	0	111.3	Q369 D371 F372 R374 L375	Q369-P388 WeakPolarHBondContact O-CA 3.24Å; Q369-P388 WeakPolarHBondContact O-CB 3.31Å; D371-P388 WeakPolarHBondContact O-CG 3.45Å; F372-P388 HydrophobicContact CD1-CB 4.36Å; R374-P388 HydrophobicContact CB-CG 3.99Å; R374-P388 WeakPolarHBondContact O-CD 3.44Å; R374-P388 WeakPolarHBondContact O-CG 3.49Å; L375-P388 HydrophobicContact CD2-CB 4.16Å; L375-P388 HydrophobicContact CD2-CG 4.13Å; L375-P388 HydrophobicContact CG-CG 4.24Å
389	K	97.4	Very high	96.5	Very high	115 Å²	115	78.9 Å²	78.9	50%	0.5	41%	0.411	S	S	.	.			trans	-125.6	140.3	174.7	-63.2	177.6	-176	173.2	0	108.9	F372 V391	F372-K389 WeakPolarHBondContact CE1-O 3.27Å; K389-V391 PolarHBondContact O-N 2.76Å
390	S	97.7	Very high	97.1	Very high	65 Å²	65	66.8 Å²	66.8	46%	0.455	37%	0.365	S	S	.	.			trans	-58	136	171	-58	0	0	0	0	110.4	N395	S390-N395 PolarHBondContact O-ND2 3.45Å
391	V	98.4	Very high	97.4	Very high	1 Å²	1	67.5 Å²	67.5	1%	0.006	37%	0.367	C	S	.	.			trans	-81.3	121.2	179.2	-176.6	0	0	0	0	108.6	F372 K389 N395 V396 N441 K444 L445	F372-V391 HydrophobicContact CE1-CG2 4.04Å; F372-V391 HydrophobicContact CZ-CG2 3.85Å; K389-V391 PolarHBondContact O-N 2.76Å; V391-N395 WeakPolarHBondContact CA-OD1 3.36Å; V391-V396 HydrophobicContact CG1-CB 3.91Å; V391-V396 HydrophobicContact CG1-CG2 3.73Å; V391-N441 HydrophobicContact CB-CB 4.27Å; V391-N441 WeakPolarHBondContact CB-OD1 3.3Å; V391-N441 HydrophobicContact CG2-CB 3.91Å; V391-N441 PolarHBondContact N-OD1 3.14Å; V391-K444 HydrophobicContact CB-CB 4.39Å; V391-K444 HydrophobicContact CB-CD 4.31Å; V391-K444 HydrophobicContact CG1-CB 3.76Å; V391-K444 HydrophobicContact CG1-CD 4.21Å; V391-K444 WeakPolarHBondContact O-CD 3.45Å; V391-K444 PolarHBondContact O-NZ 3.17Å; V391-L445 HydrophobicContact CG1-CD2 3.99Å; V391-L445 HydrophobicContact CG1-CG 4.17Å; V391-L445 HydrophobicContact CG2-CD1 4.08Å; V391-L445 HydrophobicContact CG2-CD2 4.09Å; V391-L445 HydrophobicContact CG2-CG 3.99Å
392	V	98	Very high	97.6	Very high	68 Å²	68	64.5 Å²	64.5	41%	0.412	35%	0.351	S	S	.	.			trans	-136.1	164.2	-179.9	-63.5	0	0	0	0	108.7	A394 N395 V396	V392-A394 HydrophobicContact CG2-CB 4.28Å; V392-A394 PolarHBondContact O-N 3.21Å; V392-A394 VanDerWaalsContact O-N 3.12Å; V392-N395 PolarHBondContact N-OD1 3.08Å; V392-N395 PolarHBondContact O-N 3.07Å; V392-N395 PolarHBondContact O-OD1 2.76Å; V392-V396 WeakPolarHBondContact O-CB 3.28Å; V392-V396 PolarHBondContact O-N 2.82Å
393	E	96.5	Very high	97.8	Very high	190 Å²	190	64 Å²	64	89%	0.888	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-37.5	-178.5	-65.7	178.2	178.2	0	0	112.8	N395	E393-N395 VanDerWaalsContact C-N 3.28Å; E393-N395 PolarHBondContact O-N 3.49Å
394	A	98.1	Very high	97.9	Very high	104 Å²	104	59.7 Å²	59.7	86%	0.86	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-19.6	-179.7	0	0	0	0	0	115	V392	V392-A394 HydrophobicContact CG2-CB 4.28Å; V392-A394 PolarHBondContact O-N 3.21Å; V392-A394 VanDerWaalsContact O-N 3.12Å
395	N	98.3	Very high	97.9	Very high	28 Å²	28	56.9 Å²	56.9	15%	0.15	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.2	-9	-178.6	72.6	10.6	0	0	0	114.6	S390 V391 V392 E393 A397 E398 R399	S390-N395 PolarHBondContact O-ND2 3.45Å; V391-N395 WeakPolarHBondContact CA-OD1 3.36Å; V392-N395 PolarHBondContact N-OD1 3.08Å; V392-N395 PolarHBondContact O-N 3.07Å; V392-N395 PolarHBondContact O-OD1 2.76Å; E393-N395 VanDerWaalsContact C-N 3.28Å; E393-N395 PolarHBondContact O-N 3.49Å; N395-A397 VanDerWaalsContact C-N 3.25Å; N395-A397 PolarHBondContact O-N 3.05Å; N395-A397 VanDerWaalsContact O-N 3.16Å; N395-E398 PolarHBondContact O-N 3.02Å; N395-E398 VanDerWaalsContact O-N 3.17Å; N395-R399 HydrophobicContact CB-CG 4.26Å; N395-R399 VanDerWaalsContact O-CG 3.3Å; N395-R399 WeakPolarHBondContact O-CG 3.29Å; N395-R399 PolarHBondContact O-N 3.38Å
396	V	98.6	Very high	98.1	Very high	19 Å²	19	47.8 Å²	47.8	12%	0.115	27%	0.272	C	S	.	.	H	α-helix	trans	-56.9	-37.4	-171.8	66.1	0	0	0	0	112.8	V391 V392 R399 A400 L445 Y448	V391-V396 HydrophobicContact CG1-CB 3.91Å; V391-V396 HydrophobicContact CG1-CG2 3.73Å; V392-V396 WeakPolarHBondContact O-CB 3.28Å; V392-V396 PolarHBondContact O-N 2.82Å; V396-R399 PolarHBondContact O-N 2.8Å; V396-A400 WeakPolarHBondContact O-CB 3.48Å; V396-A400 PolarHBondContact O-N 2.68Å; V396-L445 HydrophobicContact CG2-CD2 4.34Å; V396-Y448 HydrophobicContact CB-CD2 4.41Å; V396-Y448 HydrophobicContact CG1-CD2 3.56Å; V396-Y448 HydrophobicContact CG1-CE2 4Å; V396-Y448 HydrophobicContact CG1-CG 4.22Å; V396-Y448 HydrophobicContact CG2-CD2 4.07Å; V396-Y448 HydrophobicContact CG2-CG 3.87Å
397	A	98.5	Very high	98.2	Very high	44 Å²	44	45.3 Å²	45.3	36%	0.364	26%	0.256	S	S	.	.	H	α-helix	trans	-61.8	-51.6	177.3	0	0	0	0	0	112.9	N395 R399 A400 Q401 Y448	N395-A397 VanDerWaalsContact C-N 3.25Å; N395-A397 PolarHBondContact O-N 3.05Å; N395-A397 VanDerWaalsContact O-N 3.16Å; A397-R399 VanDerWaalsContact C-N 3.35Å; A397-R399 PolarHBondContact O-N 2.88Å; A397-A400 PolarHBondContact O-N 2.68Å; A397-Q401 WeakPolarHBondContact O-CB 3.49Å; A397-Q401 PolarHBondContact O-N 3.39Å; A397-Y448 HydrophobicContact CB-CE1 4.22Å; A397-Y448 HydrophobicContact CB-CE2 3.93Å; A397-Y448 WeakPolarHBondContact CB-OH 3.3Å
398	E	98.4	Very high	98.3	Very high	95 Å²	95	43.3 Å²	43.3	44%	0.444	24%	0.241	S	C	.	.	H	α-helix	trans	-62.6	-42.8	177.6	175.8	-94.4	152.8	0	0	111.3	N395 Q401 L402	N395-E398 PolarHBondContact O-N 3.02Å; N395-E398 VanDerWaalsContact O-N 3.17Å; E398-Q401 PolarHBondContact O-N 3.27Å; E398-L402 WeakPolarHBondContact O-CB 3.39Å; E398-L402 PolarHBondContact O-N 3.05Å
399	R	98.6	Very high	98.3	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.008	25%	0.25	C	C	.	.	H	α-helix	trans	-66.7	-41.9	178.9	-63.2	-50.4	-58	176.5	0.6	112.5	Q369 F370 N395 V396 A397 L402 L403 L445	Q369-R399 PolarHBondContact O-NH2 2.95Å; F370-R399 HydrophobicContact CE1-CB 4.32Å; F370-R399 WeakPolarHBondContact CE1-O 3.09Å; F370-R399 VanDerWaalsContact CE2-NH2 3.28Å; F370-R399 VanDerWaalsContact CZ-O 3.29Å; F370-R399 WeakPolarHBondContact CZ-O 3.36Å; N395-R399 HydrophobicContact CB-CG 4.26Å; N395-R399 VanDerWaalsContact O-CG 3.3Å; N395-R399 WeakPolarHBondContact O-CG 3.29Å; N395-R399 PolarHBondContact O-N 3.38Å; V396-R399 PolarHBondContact O-N 2.8Å; A397-R399 VanDerWaalsContact C-N 3.35Å; A397-R399 PolarHBondContact O-N 2.88Å; R399-L402 PolarHBondContact O-N 3.04Å; R399-L403 WeakPolarHBondContact O-CB 3.5Å; R399-L403 PolarHBondContact O-N 3.2Å; R399-L445 HydrophobicContact CB-CD2 3.75Å
400	A	98.6	Very high	98.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.2	-45.9	176.7	0	0	0	0	0	110.7	V396 A397 L402 L403 L404 L445 Y448 M449	V396-A400 WeakPolarHBondContact O-CB 3.48Å; V396-A400 PolarHBondContact O-N 2.68Å; A397-A400 PolarHBondContact O-N 2.68Å; A400-L402 PolarHBondContact O-N 3.36Å; A400-L403 PolarHBondContact O-N 2.88Å; A400-L404 WeakPolarHBondContact O-CB 3.38Å; A400-L404 PolarHBondContact O-N 3.06Å; A400-L445 HydrophobicContact CB-CD2 4.25Å; A400-Y448 HydrophobicContact CB-CD1 3.52Å; A400-Y448 HydrophobicContact CB-CE1 4.01Å; A400-Y448 HydrophobicContact CB-CG 4.39Å; A400-M449 HydrophobicContact CB-CG 3.93Å
401	Q	98.2	Very high	98.4	Very high	86 Å²	86	37.1 Å²	37.1	40%	0.402	21%	0.207	S	C	.	.	H	α-helix	trans	-61.4	-43.2	177.3	-169.3	64.4	24.8	0	0	112.1	A397 E398 L404 D405	A397-Q401 WeakPolarHBondContact O-CB 3.49Å; A397-Q401 PolarHBondContact O-N 3.39Å; E398-Q401 PolarHBondContact O-N 3.27Å; Q401-L404 PolarHBondContact O-N 2.64Å; Q401-D405 PolarHBondContact O-N 2.9Å
402	L	98.4	Very high	98.3	Very high	42 Å²	42	38.8 Å²	38.8	22%	0.22	21%	0.214	C	C	.	.	H	α-helix	trans	-64.9	-39.8	179.4	-174.9	67.6	0	0	0	112.4	I366 F370 E398 R399 A400	I366-L402 HydrophobicContact CD1-CD1 3.88Å; I366-L402 HydrophobicContact CG1-CD1 4.25Å; I366-L402 HydrophobicContact CG2-CD1 3.96Å; I366-L402 HydrophobicContact CG2-CD2 3.97Å; I366-L402 HydrophobicContact CG2-CG 3.63Å; F370-L402 HydrophobicContact CE2-CD2 4.19Å; F370-L402 HydrophobicContact CE2-CG 4.29Å; F370-L402 HydrophobicContact CZ-CB 4.25Å; F370-L402 HydrophobicContact CZ-CD2 4.23Å; F370-L402 HydrophobicContact CZ-CG 4.34Å; E398-L402 WeakPolarHBondContact O-CB 3.39Å; E398-L402 PolarHBondContact O-N 3.05Å; R399-L402 PolarHBondContact O-N 3.04Å; A400-L402 PolarHBondContact O-N 3.36Å
403	L	98.8	Very high	98.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-71.3	-43.4	176.1	-174.5	55.1	0	0	0	111.6	C360 F370 R399 A400 D405 Q406 Y407 Y442 L445	C360-L403 HydrophobicContact CB-CD1 4.25Å; F370-L403 HydrophobicContact CB-CD1 4.37Å; F370-L403 HydrophobicContact CD1-CB 4.23Å; F370-L403 HydrophobicContact CD1-CD1 4.17Å; F370-L403 HydrophobicContact CD1-CD2 3.91Å; F370-L403 HydrophobicContact CD1-CG 4.34Å; F370-L403 HydrophobicContact CD2-CD1 3.85Å; F370-L403 HydrophobicContact CE1-CB 3.69Å; F370-L403 HydrophobicContact CE1-CD1 4.43Å; F370-L403 HydrophobicContact CE1-CD2 4.09Å; F370-L403 HydrophobicContact CE1-CG 4.29Å; F370-L403 HydrophobicContact CE2-CB 4.02Å; F370-L403 HydrophobicContact CE2-CD1 4.11Å; F370-L403 HydrophobicContact CG-CD1 3.87Å; F370-L403 HydrophobicContact CG-CD2 4.39Å; F370-L403 HydrophobicContact CZ-CB 3.56Å; F370-L403 HydrophobicContact CZ-CD1 4.39Å; F370-L403 HydrophobicContact CZ-CG 4.42Å; R399-L403 WeakPolarHBondContact O-CB 3.5Å; R399-L403 PolarHBondContact O-N 3.2Å; A400-L403 PolarHBondContact O-N 2.88Å; L403-D405 VanDerWaalsContact C-N 3.28Å; L403-D405 PolarHBondContact O-N 2.82Å; L403-Q406 WeakPolarHBondContact O-CB 3.49Å; L403-Q406 PolarHBondContact O-N 2.96Å; L403-Y407 HydrophobicContact CD1-CD1 4.31Å; L403-Y407 HydrophobicContact CD1-CE1 3.65Å; L403-Y407 HydrophobicContact CD1-CE2 4.18Å; L403-Y407 HydrophobicContact CD2-CE2 3.88Å; L403-Y407 HydrophobicContact CG-CD2 4.19Å; L403-Y407 HydrophobicContact CG-CE1 4.04Å; L403-Y407 HydrophobicContact CG-CE2 3.63Å; L403-Y407 PolarHBondContact O-N 3Å; L403-Y442 HydrophobicContact CD2-CE1 4.23Å; L403-L445 HydrophobicContact CD2-CD1 3.89Å
404	L	98.6	Very high	98.4	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.4	-36.6	179.6	-177.8	58	0	0	0	111.7	L166 A400 Q401 Q406 Y407 R408 M449 L455 V457	L166-L404 HydrophobicContact CD2-CD1 4.45Å; A400-L404 WeakPolarHBondContact O-CB 3.38Å; A400-L404 PolarHBondContact O-N 3.06Å; Q401-L404 PolarHBondContact O-N 2.64Å; L404-Q406 VanDerWaalsContact C-N 3.28Å; L404-Q406 PolarHBondContact O-N 3.37Å; L404-Y407 PolarHBondContact O-N 3.29Å; L404-R408 HydrophobicContact CD1-CG 4.21Å; L404-R408 HydrophobicContact CG-CG 4.34Å; L404-R408 WeakPolarHBondContact O-CB 3.22Å; L404-R408 WeakPolarHBondContact O-CG 3.41Å; L404-R408 PolarHBondContact O-N 2.85Å; L404-M449 HydrophobicContact CB-SD 4.3Å; L404-L455 HydrophobicContact CD2-CB 3.95Å; L404-L455 HydrophobicContact CD2-CD2 4.29Å; L404-L455 HydrophobicContact CD2-CG 4.49Å; L404-V457 HydrophobicContact CD1-CB 3.88Å; L404-V457 HydrophobicContact CD1-CG1 4.03Å; L404-V457 HydrophobicContact CD1-CG2 3.78Å; L404-V457 HydrophobicContact CD2-CG1 4.01Å
405	D	98.6	Very high	98.3	Very high	31 Å²	31	26.3 Å²	26.3	17%	0.166	13%	0.13	C	C	.	.	H	α-helix	trans	-55.9	-43.8	171.2	174.5	69.3	0	0	0	112	Y156 Q401 L403 R408 K409	Y156-D405 WeakPolarHBondContact CE1-OD1 3.32Å; Y156-D405 PolarHBondContact OH-OD1 3.38Å; Q401-D405 PolarHBondContact O-N 2.9Å; L403-D405 VanDerWaalsContact C-N 3.28Å; L403-D405 PolarHBondContact O-N 2.82Å; D405-R408 PolarHBondContact O-N 2.81Å; D405-K409 WeakPolarHBondContact O-CB 3.39Å; D405-K409 WeakPolarHBondContact O-CG 3.31Å; D405-K409 PolarHBondContact O-N 3.07Å; D405-K409 WeakPolarHBondContact OD1-CE 3.42Å; D405-K409 IonicContact OD1-NZ 2.86Å; D405-K409 PolarHBondContact OD1-NZ 3.13Å; D405-K409 WeakPolarHBondContact OD2-CE 3.46Å; D405-K409 IonicContact OD2-NZ 3.36Å; D405-K409 PolarHBondContact OD2-NZ 3.36Å
406	Q	98.8	Very high	98	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-67.6	-40.7	177.8	-65.2	-55.9	-67.5	0	0	112.1	I366 L403 L404 K409 K410	I366-Q406 HydrophobicContact CB-CG 4.16Å; I366-Q406 HydrophobicContact CG2-CG 3.58Å; L403-Q406 WeakPolarHBondContact O-CB 3.49Å; L403-Q406 PolarHBondContact O-N 2.96Å; L404-Q406 VanDerWaalsContact C-N 3.28Å; L404-Q406 PolarHBondContact O-N 3.37Å; Q406-K409 PolarHBondContact O-N 3.34Å; Q406-K410 WeakPolarHBondContact O-CB 3.41Å; Q406-K410 PolarHBondContact O-N 3.48Å
407	Y	98.8	Very high	97.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.5	-45.9	174.4	-67	-16.1	0	0	0	112.1	V168 V170 C360 L403 L404 K410 S411 L419 V421	V168-Y407 HydrophobicContact CB-CD2 4.4Å; V168-Y407 HydrophobicContact CG1-CD2 3.83Å; V168-Y407 HydrophobicContact CG1-CE2 3.76Å; V168-Y407 HydrophobicContact CG1-CG 4.24Å; V168-Y407 HydrophobicContact CG2-CD2 3.98Å; V168-Y407 HydrophobicContact CG2-CG 4.37Å; V170-Y407 WeakPolarHBondContact CG2-OH 3.43Å; C360-Y407 HydrophobicContact CB-CE1 4.2Å; C360-Y407 VanDerWaalsContact O-CD1 3.31Å; C360-Y407 WeakPolarHBondContact O-CD1 3.47Å; L403-Y407 HydrophobicContact CD1-CD1 4.31Å; L403-Y407 HydrophobicContact CD1-CE1 3.65Å; L403-Y407 HydrophobicContact CD1-CE2 4.18Å; L403-Y407 HydrophobicContact CD2-CE2 3.88Å; L403-Y407 HydrophobicContact CG-CD2 4.19Å; L403-Y407 HydrophobicContact CG-CE1 4.04Å; L403-Y407 HydrophobicContact CG-CE2 3.63Å; L403-Y407 PolarHBondContact O-N 3Å; L404-Y407 PolarHBondContact O-N 3.29Å; Y407-K410 PolarHBondContact O-N 3.3Å; Y407-S411 WeakPolarHBondContact O-CB 3.28Å; Y407-S411 PolarHBondContact O-N 2.89Å; Y407-L419 HydrophobicContact CD1-CD2 4.26Å; Y407-L419 HydrophobicContact CG-CD2 4.16Å; Y407-L419 VanDerWaalsContact O-CD2 3.3Å; Y407-L419 WeakPolarHBondContact O-CD2 3.23Å; Y407-V421 HydrophobicContact CD1-CG2 3.89Å; Y407-V421 HydrophobicContact CE1-CB 4.27Å; Y407-V421 HydrophobicContact CE1-CG1 3.76Å; Y407-V421 HydrophobicContact CE1-CG2 3.67Å
408	R	98.4	Very high	97.9	Very high	17 Å²	17	24.9 Å²	24.9	6%	0.064	11%	0.114	C	C	.	.	H	α-helix	trans	-59.3	-49.8	175.8	-75.5	178	175.9	-175.1	-2.8	110.8	Y156 W161 L166 L404 D405 K410 S411 K412 L455	Y156-R408 HydrophobicContact CD1-CB 3.86Å; Y156-R408 HydrophobicContact CD2-CB 4.4Å; Y156-R408 HydrophobicContact CE1-CB 3.64Å; Y156-R408 HydrophobicContact CE2-CB 4.21Å; Y156-R408 HydrophobicContact CG-CB 4.25Å; W161-R408 HydrophobicContact CD2-CG 4.42Å; W161-R408 HydrophobicContact CE3-CG 4.09Å; W161-R408 HydrophobicContact CH2-CB 3.48Å; W161-R408 VanDerWaalsContact CH2-CB 3.48Å; W161-R408 HydrophobicContact CH2-CG 3.48Å; W161-R408 VanDerWaalsContact CH2-CG 3.48Å; W161-R408 HydrophobicContact CZ2-CB 3.97Å; W161-R408 HydrophobicContact CZ2-CG 3.83Å; W161-R408 HydrophobicContact CZ3-CB 4.02Å; W161-R408 VanDerWaalsContact CZ3-CD 3.45Å; W161-R408 HydrophobicContact CZ3-CG 3.62Å; L166-R408 HydrophobicContact CD2-CG 4.25Å; L404-R408 HydrophobicContact CD1-CG 4.21Å; L404-R408 HydrophobicContact CG-CG 4.34Å; L404-R408 WeakPolarHBondContact O-CB 3.22Å; L404-R408 WeakPolarHBondContact O-CG 3.41Å; L404-R408 PolarHBondContact O-N 2.85Å; D405-R408 PolarHBondContact O-N 2.81Å; R408-K410 PolarHBondContact O-N 3.33Å; R408-S411 PolarHBondContact O-N 2.8Å; R408-S411 VanDerWaalsContact O-N 3.16Å; R408-S411 PolarHBondContact O-OG 2.91Å; R408-K412 WeakPolarHBondContact O-CG 3.38Å; R408-K412 PolarHBondContact O-N 3.27Å; R408-L455 PolarHBondContact NH2-O 3.44Å
409	K	98.6	Very high	97.9	Very high	43 Å²	43	20.4 Å²	20.4	19%	0.187	9%	0.093	C	C	.	.	H	α-helix	trans	-56.8	-46.5	174.3	-74.2	171.8	177.7	159.4	0	112.5	I154 Y156 P362 D405 Q406 S411 K412	I154-K409 HydrophobicContact CB-CB 4.21Å; I154-K409 HydrophobicContact CB-CG 4.27Å; I154-K409 HydrophobicContact CG2-CB 4.01Å; I154-K409 HydrophobicContact CG2-CG 4.2Å; I154-K409 WeakPolarHBondContact CG2-O 3.18Å; I154-K409 VanDerWaalsContact O-CE 3.31Å; I154-K409 WeakPolarHBondContact O-CE 3.2Å; I154-K409 WeakPolarHBondContact O-CG 3.39Å; Y156-K409 HydrophobicContact CD1-CG 3.96Å; Y156-K409 HydrophobicContact CE1-CG 3.89Å; P362-K409 HydrophobicContact CG-CB 3.79Å; P362-K409 HydrophobicContact CG-CD 3.95Å; P362-K409 HydrophobicContact CG-CG 4.44Å; D405-K409 WeakPolarHBondContact O-CB 3.39Å; D405-K409 WeakPolarHBondContact O-CG 3.31Å; D405-K409 PolarHBondContact O-N 3.07Å; D405-K409 WeakPolarHBondContact OD1-CE 3.42Å; D405-K409 IonicContact OD1-NZ 2.86Å; D405-K409 PolarHBondContact OD1-NZ 3.13Å; D405-K409 WeakPolarHBondContact OD2-CE 3.46Å; D405-K409 IonicContact OD2-NZ 3.36Å; D405-K409 PolarHBondContact OD2-NZ 3.36Å; Q406-K409 PolarHBondContact O-N 3.34Å; K409-S411 VanDerWaalsContact C-N 3.31Å; K409-S411 PolarHBondContact O-N 3.29Å; K409-K412 WeakPolarHBondContact O-CB 3.14Å; K409-K412 PolarHBondContact O-N 3.35Å
410	K	98.7	Very high	97.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-61.4	-40.8	178.2	-167.1	-178.3	177.6	-171.9	0	111.9	P350 F351 T359 Q406 Y407 R408 K412 L413 Y414 L419 L420	P350-K410 HydrophobicContact CG-CG 4.48Å; F351-K410 HydrophobicContact CE2-CD 4.07Å; F351-K410 HydrophobicContact CE2-CG 3.89Å; F351-K410 HydrophobicContact CZ-CG 4.2Å; T359-K410 WeakPolarHBondContact O-CD 3.38Å; T359-K410 WeakPolarHBondContact O-CE 3.38Å; T359-K410 PolarHBondContact O-NZ 3.46Å; Q406-K410 WeakPolarHBondContact O-CB 3.41Å; Q406-K410 PolarHBondContact O-N 3.48Å; Y407-K410 PolarHBondContact O-N 3.3Å; R408-K410 PolarHBondContact O-N 3.33Å; K410-K412 PolarHBondContact O-N 3.27Å; K410-L413 WeakPolarHBondContact O-CB 3.44Å; K410-L413 PolarHBondContact O-N 3.36Å; K410-L413 VanDerWaalsContact O-N 3.16Å; K410-Y414 HydrophobicContact CG-CE2 4.26Å; K410-Y414 WeakPolarHBondContact O-CD2 3.41Å; K410-L419 HydrophobicContact CB-CD1 4.16Å; K410-L419 HydrophobicContact CB-CD2 4.39Å; K410-L419 HydrophobicContact CD-CD1 4Å; K410-L419 HydrophobicContact CG-CD1 3.93Å; K410-L420 PolarHBondContact NZ-O 2.88Å
411	S	97.9	Very high	97.9	Very high	9 Å²	9	20.5 Å²	20.5	6%	0.063	9%	0.093	C	C	.	.	H	α-helix	trans	-62.2	-27.7	-179.5	75.1	0	0	0	0	113.5	W161 Y407 R408 K409 L413 Y414	W161-S411 WeakPolarHBondContact CZ2-OG 3.36Å; Y407-S411 WeakPolarHBondContact O-CB 3.28Å; Y407-S411 PolarHBondContact O-N 2.89Å; R408-S411 PolarHBondContact O-N 2.8Å; R408-S411 VanDerWaalsContact O-N 3.16Å; R408-S411 PolarHBondContact O-OG 2.91Å; K409-S411 VanDerWaalsContact C-N 3.31Å; K409-S411 PolarHBondContact O-N 3.29Å; S411-L413 PolarHBondContact O-N 3.28Å; S411-L413 VanDerWaalsContact O-N 3.13Å; S411-Y414 PolarHBondContact O-N 3.4Å
412	K	97.9	Very high	97.9	Very high	36 Å²	36	16.4 Å²	16.4	16%	0.157	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-17.3	176.8	-62	-58.4	-61.2	-168	0	114.6	I154 E160 R326 R408 K409 K410 Y414	I154-K412 HydrophobicContact CG2-CB 3.85Å; I154-K412 HydrophobicContact CG2-CG 4.14Å; E160-K412 IonicContact OE1-NZ 3.74Å; E160-K412 PolarHBondContact OE1-NZ 2.66Å; E160-K412 WeakPolarHBondContact OE2-CD 3.31Å; E160-K412 IonicContact OE2-NZ 2.65Å; E160-K412 PolarHBondContact OE2-NZ 2.83Å; R326-K412 PolarHBondContact NE-O 2.7Å; R408-K412 WeakPolarHBondContact O-CG 3.38Å; R408-K412 PolarHBondContact O-N 3.27Å; K409-K412 WeakPolarHBondContact O-CB 3.14Å; K409-K412 PolarHBondContact O-N 3.35Å; K410-K412 PolarHBondContact O-N 3.27Å; K412-Y414 VanDerWaalsContact C-N 3.32Å
413	L	98.4	Very high	97.9	Very high	2 Å²	2	14.5 Å²	14.5	1%	0.01	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-11.5	177.8	-48.1	178.1	0	0	0	112.5	W148 F152 I154 L328 P350 F351 K410 S411	W148-L413 HydrophobicContact CH2-CD1 4.48Å; W148-L413 HydrophobicContact CZ3-CD1 4.47Å; W148-L413 HydrophobicContact CZ3-CD2 4.24Å; F152-L413 HydrophobicContact CE2-CD2 4.41Å; F152-L413 HydrophobicContact CZ-CD2 4.13Å; I154-L413 HydrophobicContact CD1-CD1 3.99Å; I154-L413 HydrophobicContact CD1-CD2 3.56Å; I154-L413 HydrophobicContact CD1-CG 4.05Å; I154-L413 HydrophobicContact CG1-CD2 4.11Å; L328-L413 HydrophobicContact CD1-CB 3.89Å; P350-L413 HydrophobicContact CB-CD1 3.72Å; P350-L413 HydrophobicContact CG-CD1 4.08Å; F351-L413 HydrophobicContact CE1-CD1 3.78Å; F351-L413 HydrophobicContact CZ-CD1 3.79Å; K410-L413 WeakPolarHBondContact O-CB 3.44Å; K410-L413 PolarHBondContact O-N 3.36Å; K410-L413 VanDerWaalsContact O-N 3.16Å; S411-L413 PolarHBondContact O-N 3.28Å; S411-L413 VanDerWaalsContact O-N 3.13Å
414	Y	97.8	Very high	97.9	Very high	7 Å²	7	14.5 Å²	14.5	3%	0.027	6%	0.064	C	C	.	.	S	Bend	trans	-114.3	167.4	-177.5	-63.8	-73.8	0	0	0	111.4	L328 E329 H347 M348 P350 K410 S411 K412 L419	L328-Y414 HydrophobicContact CB-CD1 4.01Å; L328-Y414 HydrophobicContact CB-CE1 3.56Å; L328-Y414 HydrophobicContact CD1-CD1 4.39Å; L328-Y414 HydrophobicContact CD1-CE1 3.85Å; L328-Y414 HydrophobicContact CG-CE1 4.39Å; E329-Y414 VanDerWaalsContact CD-CD1 3.41Å; E329-Y414 HydrophobicContact CG-CD1 3.68Å; E329-Y414 HydrophobicContact CG-CE1 4.06Å; E329-Y414 WeakPolarHBondContact OE2-CB 3.41Å; E329-Y414 WeakPolarHBondContact OE2-CD1 3.27Å; H347-Y414 AromaticContact CE1-CE1 3.29Å; H347-Y414 WeakPolarHBondContact CE1-CE1 3.46Å; H347-Y414 AromaticContact CE1-CZ 3.39Å; H347-Y414 PolarHBondContact CE1-OH 3.45Å; H347-Y414 AromaticContact ND1-CE1 3.85Å; H347-Y414 AromaticContact NE2-CE1 3.87Å; H347-Y414 AromaticContact NE2-CZ 3.68Å; H347-Y414 PolarHBondContact NE2-OH 3.38Å; H347-Y414 VanDerWaalsContact NE2-OH 3.15Å; M348-Y414 PolarHBondContact O-OH 3.03Å; P350-Y414 WeakPolarHBondContact CD-OH 3.42Å; P350-Y414 HydrophobicContact CG-CE2 4.3Å; P350-Y414 WeakPolarHBondContact CG-OH 3.26Å; K410-Y414 HydrophobicContact CG-CE2 4.26Å; K410-Y414 WeakPolarHBondContact O-CD2 3.41Å; S411-Y414 PolarHBondContact O-N 3.4Å; K412-Y414 VanDerWaalsContact C-N 3.32Å; Y414-L419 HydrophobicContact CD2-CD1 4.17Å; Y414-L419 HydrophobicContact CE2-CD1 4.37Å
415	R	95.3	Very high	97.9	Very high	90 Å²	90	16 Å²	16	34%	0.34	7%	0.073	S	C	.	.	S	Bend	trans	-87.5	-32.7	-179.7	-63.2	-174	-176.2	-124.9	-5.3	112.5	R326 E329 Y475 D485 F486	R326-R415 HydrophobicContact CB-CG 3.99Å; R326-R415 WeakPolarHBondContact O-CG 3.44Å; R326-R415 PolarHBondContact O-NE 2.82Å; R326-R415 PolarHBondContact O-NH2 2.86Å; E329-R415 PolarHBondContact OE2-N 2.87Å; R415-Y475 PolarHBondContact O-OH 3.27Å; R415-D485 WeakPolarHBondContact CD-O 3.36Å; R415-D485 PolarHBondContact NE-O 3.32Å; R415-D485 PolarHBondContact NH1-O 3.06Å; R415-F486 HydrophobicContact CB-CE1 4.23Å; R415-F486 HydrophobicContact CB-CZ 4.19Å
416	S	93.1	Very high	97.9	Very high	9 Å²	9	16.9 Å²	16.9	6%	0.063	8%	0.077	C	C	.	.	S	Bend	trans	-91.3	160.3	-176.6	83.4	0	0	0	0	112.9	V418	S416-V418 PolarHBondContact O-N 2.9Å; S416-V418 PolarHBondContact OG-N 3.33Å; S416-V418 VanDerWaalsContact OG-N 3.14Å; S416-V418 PolarHBondContact OG-O 3.35Å; S416-V418 VanDerWaalsContact OG-O 3.08Å
417	K	95.3	Very high	97.9	Very high	50 Å²	50	17.2 Å²	17.2	22%	0.217	8%	0.079	C	C	.	.	S	Bend	trans	-86.8	19.1	166.9	-57.7	-167.7	-172	-177.3	0	112.7	E160 E164 Q167	E160-K417 PolarHBondContact O-NZ 3.07Å; E164-K417 HydrophobicContact CB-CD 3.89Å; E164-K417 HydrophobicContact CG-CD 3.89Å; E164-K417 VanDerWaalsContact O-CD 3.3Å; E164-K417 WeakPolarHBondContact O-CD 3.3Å; E164-K417 PolarHBondContact O-NZ 2.91Å; E164-K417 VanDerWaalsContact OE2-CD 3.31Å; E164-K417 WeakPolarHBondContact OE2-CD 3.48Å; E164-K417 WeakPolarHBondContact OE2-CE 3.49Å; E164-K417 IonicContact OE2-NZ 3.68Å; Q167-K417 PolarHBondContact N-O 3.31Å
418	V	98	Very high	97.9	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.012	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	114.6	175.2	-177.2	0	0	0	0	107.8	Q167 F169 S416 Y467 A470 A474	Q167-V418 HydrophobicContact CB-CG2 4.44Å; Q167-V418 CarbonylContact O-C 3.55Å; Q167-V418 WeakPolarHBondContact O-CA 3.47Å; F169-V418 HydrophobicContact CD2-CG1 3.95Å; F169-V418 HydrophobicContact CE2-CG1 3.81Å; S416-V418 PolarHBondContact O-N 2.9Å; S416-V418 PolarHBondContact OG-N 3.33Å; S416-V418 VanDerWaalsContact OG-N 3.14Å; S416-V418 PolarHBondContact OG-O 3.35Å; S416-V418 VanDerWaalsContact OG-O 3.08Å; V418-Y467 HydrophobicContact CG1-CD2 3.76Å; V418-Y467 HydrophobicContact CG1-CE2 4.01Å; V418-A470 HydrophobicContact CG1-CB 3.82Å; V418-A470 HydrophobicContact CG2-CB 4.37Å; V418-A474 HydrophobicContact CG2-CB 4.28Å
419	L	98.7	Very high	97.9	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126.2	-171.7	-174.1	68.3	0	0	0	111.6	L166 Q167 V168 F169 Y407 K410 Y414 V421	L166-L419 HydrophobicContact CD1-CB 4.28Å; Q167-L419 PolarHBondContact O-N 2.67Å; V168-L419 HydrophobicContact CG1-CD2 4.42Å; V168-L419 HydrophobicContact CG2-CB 4.39Å; V168-L419 HydrophobicContact CG2-CD2 4.28Å; F169-L419 PolarHBondContact N-O 2.91Å; Y407-L419 HydrophobicContact CD1-CD2 4.26Å; Y407-L419 HydrophobicContact CG-CD2 4.16Å; Y407-L419 VanDerWaalsContact O-CD2 3.3Å; Y407-L419 WeakPolarHBondContact O-CD2 3.23Å; K410-L419 HydrophobicContact CB-CD1 4.16Å; K410-L419 HydrophobicContact CB-CD2 4.39Å; K410-L419 HydrophobicContact CD-CD1 4Å; K410-L419 HydrophobicContact CG-CD1 3.93Å; Y414-L419 HydrophobicContact CD2-CD1 4.17Å; Y414-L419 HydrophobicContact CE2-CD1 4.37Å; L419-V421 HydrophobicContact CD2-CG2 3.92Å; L419-V421 HydrophobicContact CG-CG2 4.01Å
420	L	98.8	Very high	97.7	Very high	2 Å²	2	15.7 Å²	15.7	1%	0.01	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	131.6	169.5	-179.4	64	0	0	0	111.2	V171 L310 K410 L464 Y467	V171-L420 HydrophobicContact CB-CD1 4.21Å; V171-L420 HydrophobicContact CG2-CD1 3.4Å; L310-L420 HydrophobicContact CD1-CD2 3.21Å; K410-L420 PolarHBondContact NZ-O 2.88Å; L420-L464 HydrophobicContact CD1-CD1 4.41Å; L420-L464 HydrophobicContact CD2-CD1 4.01Å; L420-Y467 HydrophobicContact CB-CD1 4.14Å; L420-Y467 HydrophobicContact CB-CD2 3.7Å; L420-Y467 HydrophobicContact CB-CE1 4.13Å; L420-Y467 HydrophobicContact CB-CE2 3.74Å; L420-Y467 HydrophobicContact CB-CG 3.92Å; L420-Y467 HydrophobicContact CD1-CD1 4.25Å; L420-Y467 HydrophobicContact CD1-CG 4.01Å; L420-Y467 HydrophobicContact CD2-CD1 4.07Å; L420-Y467 HydrophobicContact CD2-CE1 4.1Å; L420-Y467 HydrophobicContact CG-CD1 4.39Å; L420-Y467 HydrophobicContact CG-CG 4.38Å
421	V	98.9	Very high	97.7	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.012	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	96.1	176.4	-178.7	0	0	0	0	110.2	V168 F169 V170 V171 Y407 L419	V168-V421 HydrophobicContact CG1-CG2 3.8Å; F169-V421 PolarHBondContact O-N 2.93Å; V170-V421 CarbonylContact C-O 3.44Å; V170-V421 VanDerWaalsContact CA-O 3.25Å; V170-V421 WeakPolarHBondContact CA-O 3.39Å; V170-V421 HydrophobicContact CG2-CB 4.25Å; V170-V421 HydrophobicContact CG2-CG1 4.46Å; V171-V421 PolarHBondContact N-O 3.08Å; Y407-V421 HydrophobicContact CD1-CG2 3.89Å; Y407-V421 HydrophobicContact CE1-CB 4.27Å; Y407-V421 HydrophobicContact CE1-CG1 3.76Å; Y407-V421 HydrophobicContact CE1-CG2 3.67Å; L419-V421 HydrophobicContact CD2-CG2 3.92Å; L419-V421 HydrophobicContact CG-CG2 4.01Å
422	P	98.8	Very high	97.6	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.006	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	142.5	173.1	-24.4	35.4	0	0	0	112.1	W286 M349 T359	W286-P422 HydrophobicContact CH2-CB 4.05Å; W286-P422 HydrophobicContact CH2-CG 3.98Å; M349-P422 HydrophobicContact CE-CG 3.97Å; M349-P422 HydrophobicContact SD-CG 4.25Å; T359-P422 WeakPolarHBondContact CB-O 3.2Å; T359-P422 HydrophobicContact CG2-CB 3.96Å; T359-P422 HydrophobicContact CG2-CG 4.14Å; T359-P422 PolarHBondContact OG1-O 2.86Å; T359-P422 VanDerWaalsContact OG1-O 3.07Å
423	L	98.8	Very high	97.6	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	76.8	177.9	-176.6	65.8	0	0	0	110.5	V170 V171 P172 H173 V356 Y429 Y442 F461	V170-L423 HydrophobicContact CG1-CB 3.7Å; V170-L423 HydrophobicContact CG1-CD2 3.83Å; V170-L423 HydrophobicContact CG1-CG 4.32Å; V171-L423 PolarHBondContact O-N 3.36Å; P172-L423 WeakPolarHBondContact CA-O 3.27Å; P172-L423 HydrophobicContact CG-CD2 4.44Å; H173-L423 PolarHBondContact N-O 3.28Å; V356-L423 HydrophobicContact CG1-CD1 3.88Å; V356-L423 HydrophobicContact CG2-CD1 3.81Å; L423-Y429 PolarHBondContact O-OH 3.24Å; L423-Y442 HydrophobicContact CD1-CE2 3.56Å; L423-Y442 WeakPolarHBondContact CD1-OH 3.39Å; L423-Y442 HydrophobicContact CD2-CD2 3.67Å; L423-Y442 HydrophobicContact CD2-CE1 4.43Å; L423-Y442 HydrophobicContact CD2-CE2 3.49Å; L423-Y442 VanDerWaalsContact CD2-CE2 3.49Å; L423-Y442 HydrophobicContact CD2-CG 4.25Å; L423-Y442 HydrophobicContact CG-CE2 4.19Å; L423-F461 HydrophobicContact CD2-CE1 4.4Å
424	G	98.4	Very high	97.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.131	C	C	.	.			trans	-165.1	-174.3	-178.2	0	0	0	0	0	112.5	H173 D355 V356	H173-G424 PolarHBondContact CD2-N 3.11Å; H173-G424 VanDerWaalsContact NE2-CA 3.32Å; H173-G424 WeakPolarHBondContact NE2-CA 3.48Å; H173-G424 PolarHBondContact NE2-N 2.89Å; H173-G424 VanDerWaalsContact O-CA 3.29Å; H173-G424 WeakPolarHBondContact O-CA 3.43Å; D355-G424 WeakPolarHBondContact CA-O 3.45Å; V356-G424 WeakPolarHBondContact CG2-O 3.38Å; V356-G424 PolarHBondContact N-O 2.87Å
425	D	98.6	Very high	97.6	Very high	33 Å²	33	26.1 Å²	26.1	18%	0.176	13%	0.13	C	C	.	.			trans	-172.1	-175.4	-179.4	-151.8	-21.8	0	0	0	106.8	H175 D355 R374 F427 R428	H175-D425 PolarHBondContact N-O 2.95Å; D355-D425 HydrophobicContact CB-CB 4.49Å; R374-D425 IonicContact NH2-OD2 3.81Å; D425-F427 PolarHBondContact O-N 3.1Å; D425-R428 HydrophobicContact CB-CG 3.43Å; D425-R428 VanDerWaalsContact CB-CG 3.43Å; D425-R428 WeakPolarHBondContact O-CG 3.4Å
426	D	98.3	Very high	97.7	Very high	48 Å²	48	23.8 Å²	23.8	26%	0.257	12%	0.124	S	C	.	.	B	Isolated β-bridge	trans	-61.4	128.4	176.1	-62.8	-6.9	0	0	0	112	H175 Y354 R428	H175-D426 IonicContact CD2-OD1 3.82Å; H175-D426 PolarHBondContact CD2-OD1 2.68Å; H175-D426 IonicContact CG-OD1 3.31Å; Y354-D426 WeakPolarHBondContact CE2-OD1 3.38Å; Y354-D426 PolarHBondContact OH-OD1 2.88Å; D426-R428 PolarHBondContact O-N 2.88Å
427	F	98.3	Very high	97.9	Very high	9 Å²	9	25.7 Å²	25.7	4%	0.039	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.9	40.2	176.8	-61.5	-88.7	0	0	0	113.9	H175 N176 D177 Y187 Q191 I195 D425	H175-F427 PolarHBondContact O-N 2.85Å; N176-F427 HydrophobicContact CB-CD1 4.42Å; N176-F427 HydrophobicContact CB-CE1 4.07Å; N176-F427 WeakPolarHBondContact OD1-CD1 3.36Å; D177-F427 HydrophobicContact CB-CE2 4.14Å; D177-F427 HydrophobicContact CB-CZ 4Å; Y187-F427 HydrophobicContact CD1-CD1 4.05Å; Y187-F427 HydrophobicContact CD1-CD2 4.43Å; Y187-F427 AromaticContact CD1-CE1 3.4Å; Y187-F427 HydrophobicContact CD1-CE1 3.4Å; Y187-F427 AromaticContact CD1-CE2 3.86Å; Y187-F427 HydrophobicContact CD1-CE2 3.86Å; Y187-F427 AromaticContact CD1-CZ 3.27Å; Y187-F427 HydrophobicContact CD1-CZ 3.27Å; Y187-F427 HydrophobicContact CD2-CE1 4.44Å; Y187-F427 AromaticContact CD2-CZ 3.9Å; Y187-F427 HydrophobicContact CD2-CZ 3.9Å; Y187-F427 HydrophobicContact CE1-CD1 4.49Å; Y187-F427 HydrophobicContact CE1-CD2 4.07Å; Y187-F427 AromaticContact CE1-CE1 3.93Å; Y187-F427 HydrophobicContact CE1-CE1 3.93Å; Y187-F427 AromaticContact CE1-CE2 3.47Å; Y187-F427 HydrophobicContact CE1-CE2 3.47Å; Y187-F427 VanDerWaalsContact CE1-CE2 3.47Å; Y187-F427 AromaticContact CE1-CZ 3.37Å; Y187-F427 HydrophobicContact CE1-CZ 3.37Å; Y187-F427 HydrophobicContact CE2-CE2 4.4Å; Y187-F427 AromaticContact CE2-CZ 3.97Å; Y187-F427 HydrophobicContact CE2-CZ 3.97Å; Y187-F427 AromaticContact CG-CE1 3.7Å; Y187-F427 HydrophobicContact CG-CE1 3.7Å; Y187-F427 HydrophobicContact CG-CE2 4.48Å; Y187-F427 AromaticContact CG-CZ 3.56Å; Y187-F427 HydrophobicContact CG-CZ 3.56Å; Y187-F427 AromaticContact CZ-CE2 3.77Å; Y187-F427 AromaticContact CZ-CZ 3.72Å; Q191-F427 HydrophobicContact CB-CD1 4.07Å; Q191-F427 VanDerWaalsContact NE2-CB 3.31Å; I195-F427 HydrophobicContact CD1-CB 4.37Å; D425-F427 PolarHBondContact O-N 3.1Å
428	R	98.1	Very high	98.1	Very high	6 Å²	6	23.4 Å²	23.4	2%	0.023	12%	0.122	C	C	.	.			trans	-71.5	162.7	173.5	-67.5	-66.9	-112.8	98.5	2.2	111.7	S174 I195 D371 K373 D425 D426 D430 E434	S174-R428 VanDerWaalsContact CB-O 3.31Å; S174-R428 WeakPolarHBondContact CB-O 3.38Å; S174-R428 PolarHBondContact OG-N 3.04Å; S174-R428 PolarHBondContact OG-O 2.83Å; I195-R428 VanDerWaalsContact CD1-O 3.24Å; I195-R428 WeakPolarHBondContact CD1-O 3.48Å; I195-R428 WeakPolarHBondContact CG1-O 3.41Å; D371-R428 IonicContact OD1-CZ 2.75Å; D371-R428 IonicContact OD1-NH2 3.52Å; D371-R428 PolarHBondContact OD1-NH2 3.45Å; D371-R428 IonicContact OD2-NH2 3.88Å; D371-R428 PolarHBondContact OD2-NH2 3.28Å; K373-R428 VanDerWaalsContact CB-NH1 3.35Å; D425-R428 HydrophobicContact CB-CG 3.43Å; D425-R428 VanDerWaalsContact CB-CG 3.43Å; D425-R428 WeakPolarHBondContact O-CG 3.4Å; D426-R428 PolarHBondContact O-N 2.88Å; R428-D430 VanDerWaalsContact C-N 3.31Å; R428-E434 WeakPolarHBondContact CD-OE1 3.5Å; R428-E434 IonicContact CZ-OE1 2.69Å; R428-E434 IonicContact NE-OE1 3.91Å; R428-E434 VanDerWaalsContact NH1-CD 3.3Å; R428-E434 IonicContact NH1-OE1 3.39Å; R428-E434 PolarHBondContact NH1-OE1 2.92Å
429	Y	98.3	Very high	98.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.122	C	C	.	.			trans	70.4	25	175.7	-61	-86.7	0	0	0	113.4	H173 F211 L423 K431 E434 W435 Q438 Y439	H173-Y429 VanDerWaalsContact O-CE2 3.26Å; H173-Y429 WeakPolarHBondContact O-CE2 3.3Å; F211-Y429 HydrophobicContact CE2-CD1 4.24Å; F211-Y429 AromaticContact CE2-CD2 3.52Å; F211-Y429 HydrophobicContact CE2-CD2 3.52Å; F211-Y429 HydrophobicContact CE2-CE1 4.38Å; F211-Y429 AromaticContact CE2-CE2 3.71Å; F211-Y429 HydrophobicContact CE2-CE2 3.71Å; F211-Y429 AromaticContact CE2-CG 3.82Å; F211-Y429 HydrophobicContact CE2-CG 3.82Å; F211-Y429 AromaticContact CZ-CD2 3.79Å; F211-Y429 HydrophobicContact CZ-CD2 3.79Å; F211-Y429 HydrophobicContact CZ-CE2 4.26Å; F211-Y429 HydrophobicContact CZ-CG 4.24Å; L423-Y429 PolarHBondContact O-OH 3.24Å; Y429-K431 VanDerWaalsContact C-N 3.34Å; Y429-K431 PolarHBondContact O-N 3.06Å; Y429-E434 WeakPolarHBondContact CA-OE1 3.44Å; Y429-E434 VanDerWaalsContact N-CD 3.29Å; Y429-E434 PolarHBondContact N-OE1 3.02Å; Y429-W435 AromaticContact CD1-CD2 3.82Å; Y429-W435 HydrophobicContact CD1-CD2 3.82Å; Y429-W435 AromaticContact CD1-CE2 3.9Å; Y429-W435 HydrophobicContact CD1-CE3 4.2Å; Y429-W435 HydrophobicContact CD1-CG 4.07Å; Y429-W435 HydrophobicContact CD1-CZ2 4.26Å; Y429-W435 HydrophobicContact CG-CZ2 4.2Å; Y429-W435 PolarHBondContact O-NE1 3.47Å; Y429-Q438 HydrophobicContact CE1-CB 4.09Å; Y429-Q438 HydrophobicContact CE1-CG 4Å; Y429-Y439 HydrophobicContact CE1-CE2 4.13Å
430	D	96.3	Very high	98.1	Very high	22 Å²	22	27.1 Å²	27.1	12%	0.118	14%	0.141	C	C	.	.			trans	-77.5	-18.6	-177.9	76.8	-59.6	0	0	0	113.4	H194 I195 N198 K373 R428	H194-D430 WeakPolarHBondContact CB-O 3.45Å; I195-D430 HydrophobicContact CD1-CB 4.33Å; I195-D430 HydrophobicContact CG1-CB 3.8Å; N198-D430 PolarHBondContact ND2-O 2.92Å; N198-D430 VanDerWaalsContact ND2-O 3.09Å; K373-D430 IonicContact NZ-OD1 3.61Å; K373-D430 PolarHBondContact NZ-OD1 3.43Å; R428-D430 VanDerWaalsContact C-N 3.31Å
431	K	96.9	Very high	98.1	Very high	114 Å²	114	27.5 Å²	27.5	50%	0.496	14%	0.143	S	C	.	.	S	Bend	trans	-116.6	138	176.2	-55.7	-57.5	174.3	-157.7	0	111.8	Y429 L433 E434 W435	Y429-K431 VanDerWaalsContact C-N 3.34Å; Y429-K431 PolarHBondContact O-N 3.06Å; K431-L433 VanDerWaalsContact C-N 3.26Å; K431-L433 PolarHBondContact O-N 2.93Å; K431-E434 HydrophobicContact CB-CB 4.48Å; K431-E434 VanDerWaalsContact O-CB 3.27Å; K431-E434 WeakPolarHBondContact O-CB 3.33Å; K431-E434 PolarHBondContact O-N 3.39Å; K431-W435 PolarHBondContact O-N 2.93Å
432	A	97.5	Very high	98.1	Very high	40 Å²	40	27.4 Å²	27.4	33%	0.331	14%	0.142	S	C	.	.	H	α-helix	trans	-55.9	-38.6	177.3	0	0	0	0	0	113.3	N198 E434 W435 D436	N198-A432 PolarHBondContact ND2-N 2.86Å; A432-E434 PolarHBondContact O-N 2.95Å; A432-W435 WeakPolarHBondContact O-CB 3.3Å; A432-W435 PolarHBondContact O-N 2.88Å; A432-D436 PolarHBondContact O-N 2.97Å
433	L	96.6	Very high	98.1	Very high	111 Å²	111	28.4 Å²	28.4	58%	0.581	15%	0.147	S	C	*	.	H	α-helix	trans	-59.2	-35.2	176.6	179.5	63.4	0	0	0	112.6	K431 D436 Q437	K431-L433 VanDerWaalsContact C-N 3.26Å; K431-L433 PolarHBondContact O-N 2.93Å; L433-D436 PolarHBondContact O-N 3.11Å; L433-Q437 HydrophobicContact CD1-CG 4.2Å; L433-Q437 HydrophobicContact CG-CG 4.29Å; L433-Q437 WeakPolarHBondContact O-CB 3.32Å; L433-Q437 VanDerWaalsContact O-CG 3.24Å; L433-Q437 WeakPolarHBondContact O-CG 3.23Å; L433-Q437 PolarHBondContact O-N 2.94Å
434	E	97.6	Very high	98.1	Very high	7 Å²	7	32.4 Å²	32.4	3%	0.033	16%	0.164	C	C	.	.	H	α-helix	trans	-67.8	-39.4	178.7	-177.7	-177.4	156.1	0	0	111.5	K373 R428 Y429 K431 A432 Q437 Q438	K373-E434 HydrophobicContact CB-CG 4.2Å; K373-E434 HydrophobicContact CD-CG 4.24Å; K373-E434 WeakPolarHBondContact CD-OE1 3.47Å; K373-E434 WeakPolarHBondContact CE-OE2 3.47Å; K373-E434 HydrophobicContact CG-CG 4.21Å; K373-E434 IonicContact NZ-OE1 3.39Å; K373-E434 PolarHBondContact NZ-OE1 3.04Å; K373-E434 IonicContact NZ-OE2 3.07Å; K373-E434 PolarHBondContact NZ-OE2 2.89Å; R428-E434 WeakPolarHBondContact CD-OE1 3.5Å; R428-E434 IonicContact CZ-OE1 2.69Å; R428-E434 IonicContact NE-OE1 3.91Å; R428-E434 VanDerWaalsContact NH1-CD 3.3Å; R428-E434 IonicContact NH1-OE1 3.39Å; R428-E434 PolarHBondContact NH1-OE1 2.92Å; Y429-E434 WeakPolarHBondContact CA-OE1 3.44Å; Y429-E434 VanDerWaalsContact N-CD 3.29Å; Y429-E434 PolarHBondContact N-OE1 3.02Å; K431-E434 HydrophobicContact CB-CB 4.48Å; K431-E434 VanDerWaalsContact O-CB 3.27Å; K431-E434 WeakPolarHBondContact O-CB 3.33Å; K431-E434 PolarHBondContact O-N 3.39Å; A432-E434 PolarHBondContact O-N 2.95Å; E434-Q437 PolarHBondContact O-N 3.35Å; E434-Q438 HydrophobicContact CG-CG 4.49Å; E434-Q438 WeakPolarHBondContact O-CB 3.36Å; E434-Q438 VanDerWaalsContact O-CG 3.25Å; E434-Q438 WeakPolarHBondContact O-CG 3.26Å; E434-Q438 PolarHBondContact O-N 2.95Å
435	W	98.5	Very high	98.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-57.6	-51.9	171.8	-72.1	80.3	0	0	0	110.3	M199 K202 L203 F211 Y429 K431 A432 Q437 Q438 Y439	M199-W435 HydrophobicContact CB-CH2 3.75Å; M199-W435 HydrophobicContact CB-CZ2 3.77Å; M199-W435 HydrophobicContact CG-CH2 3.89Å; M199-W435 HydrophobicContact CG-CZ2 4.39Å; K202-W435 HydrophobicContact CB-CB 4.01Å; K202-W435 HydrophobicContact CB-CD2 3.59Å; K202-W435 HydrophobicContact CB-CE3 3.45Å; K202-W435 VanDerWaalsContact CB-CE3 3.45Å; K202-W435 HydrophobicContact CB-CG 3.86Å; K202-W435 HydrophobicContact CB-CZ3 4.22Å; K202-W435 HydrophobicContact CD-CB 4.03Å; K202-W435 HydrophobicContact CG-CB 3.66Å; K202-W435 HydrophobicContact CG-CD2 3.89Å; K202-W435 HydrophobicContact CG-CE3 4.26Å; K202-W435 HydrophobicContact CG-CG 3.62Å; L203-W435 HydrophobicContact CD2-CZ3 3.87Å; L203-W435 HydrophobicContact CG-CZ3 4.07Å; F211-W435 AromaticContact CD2-CH2 3.63Å; F211-W435 HydrophobicContact CD2-CH2 3.63Å; F211-W435 AromaticContact CD2-CZ3 3.97Å; F211-W435 HydrophobicContact CD2-CZ3 3.97Å; F211-W435 AromaticContact CE2-CH2 3.76Å; F211-W435 HydrophobicContact CE2-CH2 3.76Å; F211-W435 HydrophobicContact CE2-CZ2 4.33Å; F211-W435 HydrophobicContact CE2-CZ3 4.34Å; F211-W435 HydrophobicContact CG-CH2 4.15Å; F211-W435 HydrophobicContact CZ-CH2 4.38Å; Y429-W435 AromaticContact CD1-CD2 3.82Å; Y429-W435 HydrophobicContact CD1-CD2 3.82Å; Y429-W435 AromaticContact CD1-CE2 3.9Å; Y429-W435 HydrophobicContact CD1-CE3 4.2Å; Y429-W435 HydrophobicContact CD1-CG 4.07Å; Y429-W435 HydrophobicContact CD1-CZ2 4.26Å; Y429-W435 HydrophobicContact CG-CZ2 4.2Å; Y429-W435 PolarHBondContact O-NE1 3.47Å; K431-W435 PolarHBondContact O-N 2.93Å; A432-W435 WeakPolarHBondContact O-CB 3.3Å; A432-W435 PolarHBondContact O-N 2.88Å; W435-Q437 VanDerWaalsContact C-N 3.35Å; W435-Q437 PolarHBondContact O-N 3.12Å; W435-Q438 PolarHBondContact O-N 3.07Å; W435-Y439 HydrophobicContact CD2-CE2 4.36Å; W435-Y439 AromaticContact CE3-CD2 3.94Å; W435-Y439 HydrophobicContact CE3-CD2 3.94Å; W435-Y439 AromaticContact CE3-CE2 3.33Å; W435-Y439 HydrophobicContact CE3-CE2 3.33Å; W435-Y439 AromaticContact CZ3-CE2 3.64Å; W435-Y439 HydrophobicContact CZ3-CE2 3.64Å; W435-Y439 WeakPolarHBondContact O-CB 3.27Å; W435-Y439 VanDerWaalsContact O-CD2 3.29Å; W435-Y439 WeakPolarHBondContact O-CD2 3.48Å; W435-Y439 PolarHBondContact O-N 3.02Å
436	D	98.2	Very high	98.1	Very high	42 Å²	42	30.9 Å²	30.9	23%	0.225	16%	0.156	C	C	.	.	H	α-helix	trans	-60.8	-45.3	-178.5	-66	-29.5	0	0	0	111.3	K202 A432 L433 Q438 I440	K202-D436 WeakPolarHBondContact CE-OD1 3.32Å; K202-D436 IonicContact NZ-OD1 3.36Å; K202-D436 PolarHBondContact NZ-OD1 2.99Å; K202-D436 IonicContact NZ-OD2 2.66Å; K202-D436 PolarHBondContact NZ-OD2 3.49Å; A432-D436 PolarHBondContact O-N 2.97Å; L433-D436 PolarHBondContact O-N 3.11Å; D436-Q438 PolarHBondContact O-N 3.34Å; D436-I440 HydrophobicContact CB-CD1 4Å; D436-I440 WeakPolarHBondContact O-CB 3.41Å; D436-I440 WeakPolarHBondContact O-CD1 3.44Å; D436-I440 WeakPolarHBondContact O-CG1 3.36Å; D436-I440 PolarHBondContact O-N 3.12Å
437	Q	97.6	Very high	98.1	Very high	49 Å²	49	32 Å²	32	23%	0.229	16%	0.162	C	C	.	.	H	α-helix	trans	-61.2	-44.4	177.5	-75.9	173.5	-15.6	0	0	112.5	F372 L375 L433 E434 W435 N441	F372-Q437 HydrophobicContact CB-CB 4.1Å; F372-Q437 PolarHBondContact O-OE1 2.62Å; L375-Q437 HydrophobicContact CD1-CB 4.41Å; L375-Q437 HydrophobicContact CD1-CG 4.04Å; L433-Q437 HydrophobicContact CD1-CG 4.2Å; L433-Q437 HydrophobicContact CG-CG 4.29Å; L433-Q437 WeakPolarHBondContact O-CB 3.32Å; L433-Q437 VanDerWaalsContact O-CG 3.24Å; L433-Q437 WeakPolarHBondContact O-CG 3.23Å; L433-Q437 PolarHBondContact O-N 2.94Å; E434-Q437 PolarHBondContact O-N 3.35Å; W435-Q437 VanDerWaalsContact C-N 3.35Å; W435-Q437 PolarHBondContact O-N 3.12Å; Q437-N441 WeakPolarHBondContact O-CB 3.34Å; Q437-N441 PolarHBondContact O-ND2 3.35Å
438	Q	98.5	Very high	98.2	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-68.7	-56.5	178.9	-64.8	-71.8	41.3	0	0	110.6	F372 Y429 E434 W435 D436 I440 Y442	F372-Q438 VanDerWaalsContact CD2-OE1 3.3Å; Y429-Q438 HydrophobicContact CE1-CB 4.09Å; Y429-Q438 HydrophobicContact CE1-CG 4Å; E434-Q438 HydrophobicContact CG-CG 4.49Å; E434-Q438 WeakPolarHBondContact O-CB 3.36Å; E434-Q438 VanDerWaalsContact O-CG 3.25Å; E434-Q438 WeakPolarHBondContact O-CG 3.26Å; E434-Q438 PolarHBondContact O-N 2.95Å; W435-Q438 PolarHBondContact O-N 3.07Å; D436-Q438 PolarHBondContact O-N 3.34Å; Q438-I440 PolarHBondContact O-N 3.44Å; Q438-Y442 WeakPolarHBondContact O-CB 3.48Å; Q438-Y442 WeakPolarHBondContact O-CD2 3.3Å; Q438-Y442 PolarHBondContact O-N 2.88Å
439	Y	98.8	Very high	98.2	Very high	3 Å²	3	34.1 Å²	34.1	1%	0.012	17%	0.17	C	C	.	.	H	α-helix	trans	-66.8	-43.1	-171.8	-78.9	-80.9	0	0	0	113.3	P172 R209 K210 Y429 W435 Q443 F461	P172-Y439 HydrophobicContact CG-CE1 4.21Å; R209-Y439 HydrophobicContact CB-CD1 3.9Å; R209-Y439 HydrophobicContact CB-CE1 3.51Å; R209-Y439 HydrophobicContact CG-CD1 3.41Å; R209-Y439 VanDerWaalsContact CG-CD1 3.41Å; R209-Y439 HydrophobicContact CG-CE1 3.61Å; R209-Y439 HydrophobicContact CG-CG 4.04Å; K210-Y439 PolarHBondContact O-OH 2.84Å; Y429-Y439 HydrophobicContact CE1-CE2 4.13Å; W435-Y439 HydrophobicContact CD2-CE2 4.36Å; W435-Y439 AromaticContact CE3-CD2 3.94Å; W435-Y439 HydrophobicContact CE3-CD2 3.94Å; W435-Y439 AromaticContact CE3-CE2 3.33Å; W435-Y439 HydrophobicContact CE3-CE2 3.33Å; W435-Y439 AromaticContact CZ3-CE2 3.64Å; W435-Y439 HydrophobicContact CZ3-CE2 3.64Å; W435-Y439 WeakPolarHBondContact O-CB 3.27Å; W435-Y439 VanDerWaalsContact O-CD2 3.29Å; W435-Y439 WeakPolarHBondContact O-CD2 3.48Å; W435-Y439 PolarHBondContact O-N 3.02Å; Y439-Q443 WeakPolarHBondContact O-CB 3.49Å; Y439-Q443 PolarHBondContact O-N 2.98Å; Y439-F461 HydrophobicContact CD1-CD1 4.33Å; Y439-F461 AromaticContact CD1-CD2 3.96Å; Y439-F461 HydrophobicContact CD1-CD2 3.96Å; Y439-F461 AromaticContact CD1-CE1 3.84Å; Y439-F461 HydrophobicContact CD1-CE1 3.84Å; Y439-F461 AromaticContact CD1-CE2 3.44Å; Y439-F461 HydrophobicContact CD1-CE2 3.44Å; Y439-F461 VanDerWaalsContact CD1-CE2 3.44Å; Y439-F461 HydrophobicContact CD1-CG 4.37Å; Y439-F461 AromaticContact CD1-CZ 3.36Å; Y439-F461 HydrophobicContact CD1-CZ 3.36Å; Y439-F461 HydrophobicContact CE1-CD1 4.02Å; Y439-F461 HydrophobicContact CE1-CD2 4.09Å; Y439-F461 AromaticContact CE1-CE1 3.91Å; Y439-F461 HydrophobicContact CE1-CE1 3.91Å; Y439-F461 HydrophobicContact CE1-CE2 4Å; Y439-F461 HydrophobicContact CE1-CG 4.1Å; Y439-F461 AromaticContact CE1-CZ 3.9Å; Y439-F461 HydrophobicContact CE1-CZ 3.9Å; Y439-F461 HydrophobicContact CG-CE2 4.49Å; Y439-F461 HydrophobicContact CG-CZ 4.2Å
440	I	98.6	Very high	98.2	Very high	78 Å²	78	37.4 Å²	37.4	40%	0.4	19%	0.188	S	C	.	.	H	α-helix	trans	-66.1	-43.3	-177.7	-64.8	170	0	0	0	110.8	D436 Q438 K444	D436-I440 HydrophobicContact CB-CD1 4Å; D436-I440 WeakPolarHBondContact O-CB 3.41Å; D436-I440 WeakPolarHBondContact O-CD1 3.44Å; D436-I440 WeakPolarHBondContact O-CG1 3.36Å; D436-I440 PolarHBondContact O-N 3.12Å; Q438-I440 PolarHBondContact O-N 3.44Å; I440-K444 WeakPolarHBondContact O-CG 3.32Å; I440-K444 PolarHBondContact O-N 3.45Å; I440-K444 VanDerWaalsContact O-N 3.15Å
441	N	98.9	Very high	98.3	Very high	10 Å²	10	40 Å²	40	5%	0.053	21%	0.208	C	C	.	.	H	α-helix	trans	-70.5	-43.9	-178.3	-73	-65.1	0	0	0	111.8	F372 V391 Q437 K444 L445	F372-N441 HydrophobicContact CD1-CB 3.86Å; F372-N441 HydrophobicContact CD2-CB 3.53Å; F372-N441 HydrophobicContact CE1-CB 3.68Å; F372-N441 HydrophobicContact CE2-CB 3.34Å; F372-N441 HydrophobicContact CG-CB 3.8Å; F372-N441 HydrophobicContact CZ-CB 3.43Å; F372-N441 VanDerWaalsContact CZ-CB 3.43Å; V391-N441 HydrophobicContact CB-CB 4.27Å; V391-N441 WeakPolarHBondContact CB-OD1 3.3Å; V391-N441 HydrophobicContact CG2-CB 3.91Å; V391-N441 PolarHBondContact N-OD1 3.14Å; Q437-N441 WeakPolarHBondContact O-CB 3.34Å; Q437-N441 PolarHBondContact O-ND2 3.35Å; N441-K444 PolarHBondContact O-N 3.5Å; N441-L445 WeakPolarHBondContact O-CG 3.13Å; N441-L445 PolarHBondContact O-N 3.44Å
442	Y	98.8	Very high	98.3	Very high	1 Å²	1	37.1 Å²	37.1	0%	0.004	20%	0.196	C	C	.	.	H	α-helix	trans	-64	-39.6	174.7	-89	-84.3	0	0	0	112.1	V170 F370 F372 L403 L423 Q438 K444 L445 F446 F461	V170-Y442 HydrophobicContact CG1-CD1 4.38Å; V170-Y442 HydrophobicContact CG1-CE1 4.26Å; F370-Y442 WeakPolarHBondContact CB-OH 3.32Å; F370-Y442 VanDerWaalsContact O-CE2 3.25Å; F370-Y442 WeakPolarHBondContact O-CE2 3.49Å; F370-Y442 PolarHBondContact O-OH 3.36Å; F372-Y442 AromaticContact CD2-CD2 3.83Å; F372-Y442 HydrophobicContact CD2-CD2 3.83Å; F372-Y442 AromaticContact CD2-CE2 3.77Å; F372-Y442 HydrophobicContact CD2-CE2 3.77Å; F372-Y442 AromaticContact CE2-CD2 3.6Å; F372-Y442 HydrophobicContact CE2-CD2 3.6Å; F372-Y442 AromaticContact CE2-CE2 3.57Å; F372-Y442 HydrophobicContact CE2-CE2 3.57Å; F372-Y442 HydrophobicContact CE2-CG 4.4Å; L403-Y442 HydrophobicContact CD2-CE1 4.23Å; L423-Y442 HydrophobicContact CD1-CE2 3.56Å; L423-Y442 WeakPolarHBondContact CD1-OH 3.39Å; L423-Y442 HydrophobicContact CD2-CD2 3.67Å; L423-Y442 HydrophobicContact CD2-CE1 4.43Å; L423-Y442 HydrophobicContact CD2-CE2 3.49Å; L423-Y442 VanDerWaalsContact CD2-CE2 3.49Å; L423-Y442 HydrophobicContact CD2-CG 4.25Å; L423-Y442 HydrophobicContact CG-CE2 4.19Å; Q438-Y442 WeakPolarHBondContact O-CB 3.48Å; Q438-Y442 WeakPolarHBondContact O-CD2 3.3Å; Q438-Y442 PolarHBondContact O-N 2.88Å; Y442-K444 VanDerWaalsContact C-N 3.34Å; Y442-K444 PolarHBondContact O-N 2.91Å; Y442-L445 WeakPolarHBondContact O-CB 3.46Å; Y442-L445 PolarHBondContact O-N 3.39Å; Y442-L445 VanDerWaalsContact O-N 3.1Å; Y442-F446 AromaticContact CD1-CE1 3.79Å; Y442-F446 HydrophobicContact CD1-CE1 3.79Å; Y442-F446 AromaticContact CD1-CZ 3.65Å; Y442-F446 HydrophobicContact CD1-CZ 3.65Å; Y442-F446 HydrophobicContact CG-CZ 4.21Å; Y442-F446 WeakPolarHBondContact O-CD1 3.24Å; Y442-F446 WeakPolarHBondContact O-CD2 3.49Å; Y442-F446 WeakPolarHBondContact O-CG 3.49Å; Y442-F446 PolarHBondContact O-N 3.34Å; Y442-F461 VanDerWaalsContact CB-CZ 3.49Å; Y442-F461 HydrophobicContact CG-CE1 4.4Å; Y442-F461 HydrophobicContact CG-CZ 4.41Å
443	Q	98.7	Very high	98.2	Very high	21 Å²	21	39.9 Å²	39.9	10%	0.098	21%	0.211	C	C	.	.	H	α-helix	trans	-62.4	-41	178.2	-168.8	61.5	62.7	0	0	112.1	Y439 L445 F446 D447	Y439-Q443 WeakPolarHBondContact O-CB 3.49Å; Y439-Q443 PolarHBondContact O-N 2.98Å; Q443-L445 VanDerWaalsContact C-N 3.29Å; Q443-L445 PolarHBondContact O-N 3.47Å; Q443-F446 PolarHBondContact O-N 2.92Å; Q443-D447 PolarHBondContact NE2-OD1 2.98Å; Q443-D447 WeakPolarHBondContact O-CB 3.4Å; Q443-D447 PolarHBondContact O-N 3.49Å
444	K	98.8	Very high	98.2	Very high	85 Å²	85	40.2 Å²	40.2	37%	0.37	21%	0.209	S	C	.	.	H	α-helix	trans	-60.9	-38.6	173.4	-71.3	177.5	-174.6	-174.7	0	112.6	V391 I440 N441 Y442 Y448	V391-K444 HydrophobicContact CB-CB 4.39Å; V391-K444 HydrophobicContact CB-CD 4.31Å; V391-K444 HydrophobicContact CG1-CB 3.76Å; V391-K444 HydrophobicContact CG1-CD 4.21Å; V391-K444 WeakPolarHBondContact O-CD 3.45Å; V391-K444 PolarHBondContact O-NZ 3.17Å; I440-K444 WeakPolarHBondContact O-CG 3.32Å; I440-K444 PolarHBondContact O-N 3.45Å; I440-K444 VanDerWaalsContact O-N 3.15Å; N441-K444 PolarHBondContact O-N 3.5Å; Y442-K444 VanDerWaalsContact C-N 3.34Å; Y442-K444 PolarHBondContact O-N 2.91Å; K444-Y448 WeakPolarHBondContact O-CB 3.2Å; K444-Y448 PolarHBondContact O-N 3.48Å; K444-Y448 VanDerWaalsContact O-N 3.08Å
445	L	98.9	Very high	98.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-67.2	-42.6	176.3	-65.6	167.8	0	0	0	111.1	F370 F372 V391 V396 R399 A400 L403 N441 Y442 Q443 Y448 M449	F370-L445 HydrophobicContact CD1-CD1 3.92Å; F370-L445 HydrophobicContact CE1-CD1 4.04Å; F372-L445 HydrophobicContact CZ-CD1 4.28Å; V391-L445 HydrophobicContact CG1-CD2 3.99Å; V391-L445 HydrophobicContact CG1-CG 4.17Å; V391-L445 HydrophobicContact CG2-CD1 4.08Å; V391-L445 HydrophobicContact CG2-CD2 4.09Å; V391-L445 HydrophobicContact CG2-CG 3.99Å; V396-L445 HydrophobicContact CG2-CD2 4.34Å; R399-L445 HydrophobicContact CB-CD2 3.75Å; A400-L445 HydrophobicContact CB-CD2 4.25Å; L403-L445 HydrophobicContact CD2-CD1 3.89Å; N441-L445 WeakPolarHBondContact O-CG 3.13Å; N441-L445 PolarHBondContact O-N 3.44Å; Y442-L445 WeakPolarHBondContact O-CB 3.46Å; Y442-L445 PolarHBondContact O-N 3.39Å; Y442-L445 VanDerWaalsContact O-N 3.1Å; Q443-L445 VanDerWaalsContact C-N 3.29Å; Q443-L445 PolarHBondContact O-N 3.47Å; L445-Y448 PolarHBondContact O-N 3.03Å; L445-M449 HydrophobicContact CB-CE 4.14Å; L445-M449 WeakPolarHBondContact O-CB 3.34Å; L445-M449 WeakPolarHBondContact O-CE 3.33Å; L445-M449 WeakPolarHBondContact O-CG 3.37Å; L445-M449 PolarHBondContact O-N 2.85Å
446	F	98.7	Very high	98.1	Very high	2 Å²	2	43 Å²	43	1%	0.009	22%	0.223	C	C	.	.	H	α-helix	trans	-64.4	-47.7	176.6	-59.1	-19.9	0	0	0	111.8	V170 Y442 Q443 Y448 M449 N450 A459 F461	V170-F446 HydrophobicContact CB-CZ 3.8Å; V170-F446 HydrophobicContact CG1-CZ 4.37Å; V170-F446 HydrophobicContact CG2-CE1 3.79Å; V170-F446 HydrophobicContact CG2-CZ 3.55Å; Y442-F446 AromaticContact CD1-CE1 3.79Å; Y442-F446 HydrophobicContact CD1-CE1 3.79Å; Y442-F446 AromaticContact CD1-CZ 3.65Å; Y442-F446 HydrophobicContact CD1-CZ 3.65Å; Y442-F446 HydrophobicContact CG-CZ 4.21Å; Y442-F446 WeakPolarHBondContact O-CD1 3.24Å; Y442-F446 WeakPolarHBondContact O-CD2 3.49Å; Y442-F446 WeakPolarHBondContact O-CG 3.49Å; Y442-F446 PolarHBondContact O-N 3.34Å; Q443-F446 PolarHBondContact O-N 2.92Å; F446-Y448 VanDerWaalsContact C-N 3.28Å; F446-Y448 PolarHBondContact O-N 2.68Å; F446-M449 HydrophobicContact CD1-CE 3.78Å; F446-M449 HydrophobicContact CE1-CE 4.38Å; F446-M449 PolarHBondContact O-N 2.83Å; F446-N450 VanDerWaalsContact O-CB 3.26Å; F446-N450 WeakPolarHBondContact O-CB 3.35Å; F446-N450 PolarHBondContact O-N 2.79Å; F446-N450 PolarHBondContact O-ND2 2.83Å; F446-A459 HydrophobicContact CD1-CB 3.59Å; F446-A459 HydrophobicContact CE1-CB 4.05Å; F446-A459 HydrophobicContact CG-CB 4.32Å; F446-F461 HydrophobicContact CD2-CD2 4.21Å; F446-F461 HydrophobicContact CD2-CE2 4.05Å; F446-F461 HydrophobicContact CD2-CZ 4.41Å; F446-F461 AromaticContact CE2-CD1 3.83Å; F446-F461 HydrophobicContact CE2-CD1 3.83Å; F446-F461 AromaticContact CE2-CD2 3.68Å; F446-F461 HydrophobicContact CE2-CD2 3.68Å; F446-F461 AromaticContact CE2-CE1 3.73Å; F446-F461 HydrophobicContact CE2-CE1 3.73Å; F446-F461 AromaticContact CE2-CE2 3.55Å; F446-F461 HydrophobicContact CE2-CE2 3.55Å; F446-F461 AromaticContact CE2-CG 3.81Å; F446-F461 HydrophobicContact CE2-CG 3.81Å; F446-F461 AromaticContact CE2-CZ 3.59Å; F446-F461 HydrophobicContact CE2-CZ 3.59Å; F446-F461 HydrophobicContact CZ-CD1 4.29Å; F446-F461 HydrophobicContact CZ-CE1 4.1Å; F446-F461 HydrophobicContact CZ-CZ 4.27Å
447	D	98.6	Very high	98.1	Very high	72 Å²	72	41.7 Å²	41.7	39%	0.385	22%	0.216	S	C	.	.	H	α-helix	trans	-60.5	-40.4	179.5	-66.9	-15.5	0	0	0	110.7	R208 Q443 S451	R208-D447 IonicContact NH1-OD1 3.48Å; R208-D447 PolarHBondContact NH1-OD1 3.32Å; R208-D447 IonicContact NH1-OD2 3.59Å; Q443-D447 PolarHBondContact NE2-OD1 2.98Å; Q443-D447 WeakPolarHBondContact O-CB 3.4Å; Q443-D447 PolarHBondContact O-N 3.49Å; D447-S451 VanDerWaalsContact O-CB 3.26Å; D447-S451 WeakPolarHBondContact O-CB 3.46Å; D447-S451 PolarHBondContact O-N 3.04Å; D447-S451 PolarHBondContact O-OG 2.9Å
448	Y	98.8	Very high	98.1	Very high	57 Å²	57	43.8 Å²	43.8	22%	0.224	23%	0.226	C	C	.	.	H	α-helix	trans	-64.8	-54.5	172.8	-174.9	-86.1	0	0	0	111.7	V396 A397 A400 K444 L445 F446 N450 S451 H452 L455	V396-Y448 HydrophobicContact CB-CD2 4.41Å; V396-Y448 HydrophobicContact CG1-CD2 3.56Å; V396-Y448 HydrophobicContact CG1-CE2 4Å; V396-Y448 HydrophobicContact CG1-CG 4.22Å; V396-Y448 HydrophobicContact CG2-CD2 4.07Å; V396-Y448 HydrophobicContact CG2-CG 3.87Å; A397-Y448 HydrophobicContact CB-CE1 4.22Å; A397-Y448 HydrophobicContact CB-CE2 3.93Å; A397-Y448 WeakPolarHBondContact CB-OH 3.3Å; A400-Y448 HydrophobicContact CB-CD1 3.52Å; A400-Y448 HydrophobicContact CB-CE1 4.01Å; A400-Y448 HydrophobicContact CB-CG 4.39Å; K444-Y448 WeakPolarHBondContact O-CB 3.2Å; K444-Y448 PolarHBondContact O-N 3.48Å; K444-Y448 VanDerWaalsContact O-N 3.08Å; L445-Y448 PolarHBondContact O-N 3.03Å; F446-Y448 VanDerWaalsContact C-N 3.28Å; F446-Y448 PolarHBondContact O-N 2.68Å; Y448-N450 VanDerWaalsContact C-N 3.31Å; Y448-N450 PolarHBondContact O-N 2.82Å; Y448-S451 PolarHBondContact O-N 2.91Å; Y448-S451 PolarHBondContact O-OG 2.87Å; Y448-H452 AromaticContact CD2-CE1 3.54Å; Y448-H452 AromaticContact CD2-ND1 3.98Å; Y448-H452 AromaticContact CE2-CE1 3.31Å; Y448-H452 WeakPolarHBondContact CE2-CE1 3.43Å; Y448-H452 AromaticContact CE2-ND1 3.96Å; Y448-H452 AromaticContact CE2-NE2 3.62Å; Y448-H452 AromaticContact CZ-CE1 3.6Å; Y448-H452 AromaticContact CZ-ND1 3.95Å; Y448-H452 AromaticContact CZ-NE2 3.63Å; Y448-H452 PolarHBondContact O-N 3.19Å; Y448-H452 PolarHBondContact O-ND1 3.44Å; Y448-L455 HydrophobicContact CD1-CD1 4.36Å; Y448-L455 HydrophobicContact CE1-CD1 4.07Å
449	M	98.6	Very high	98.1	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-57.6	-42.4	-178	-77.6	-173.7	-70.6	0	0	112.7	A400 L404 L445 F446 L455 V457 A459	A400-M449 HydrophobicContact CB-CG 3.93Å; L404-M449 HydrophobicContact CB-SD 4.3Å; L445-M449 HydrophobicContact CB-CE 4.14Å; L445-M449 WeakPolarHBondContact O-CB 3.34Å; L445-M449 WeakPolarHBondContact O-CE 3.33Å; L445-M449 WeakPolarHBondContact O-CG 3.37Å; L445-M449 PolarHBondContact O-N 2.85Å; F446-M449 HydrophobicContact CD1-CE 3.78Å; F446-M449 HydrophobicContact CE1-CE 4.38Å; F446-M449 PolarHBondContact O-N 2.83Å; M449-L455 HydrophobicContact CG-CD1 4.45Å; M449-V457 HydrophobicContact CB-CG1 3.84Å; M449-V457 HydrophobicContact CG-CG1 4.26Å; M449-V457 HydrophobicContact SD-CG1 4.39Å; M449-A459 HydrophobicContact CE-CB 3.68Å; M449-A459 HydrophobicContact SD-CB 4.47Å
450	N	98.4	Very high	98.1	Very high	70 Å²	70	47.1 Å²	47.1	37%	0.374	24%	0.242	S	C	.	.	H	α-helix	trans	-78.4	-18.2	-176.6	-62.1	-18.2	0	0	0	113.4	F446 Y448 Q458 A459	F446-N450 VanDerWaalsContact O-CB 3.26Å; F446-N450 WeakPolarHBondContact O-CB 3.35Å; F446-N450 PolarHBondContact O-N 2.79Å; F446-N450 PolarHBondContact O-ND2 2.83Å; Y448-N450 VanDerWaalsContact C-N 3.31Å; Y448-N450 PolarHBondContact O-N 2.82Å; N450-Q458 WeakPolarHBondContact OD1-CA 3.25Å; N450-A459 PolarHBondContact ND2-O 2.82Å; N450-A459 PolarHBondContact OD1-N 3.12Å
451	S	98.2	Very high	98.1	Very high	77 Å²	77	43.8 Å²	43.8	54%	0.538	22%	0.224	S	C	.	.	H	α-helix	trans	-91.5	-2.8	176.9	56.7	0	0	0	0	113.9	D447 Y448 P453	D447-S451 VanDerWaalsContact O-CB 3.26Å; D447-S451 WeakPolarHBondContact O-CB 3.46Å; D447-S451 PolarHBondContact O-N 3.04Å; D447-S451 PolarHBondContact O-OG 2.9Å; Y448-S451 PolarHBondContact O-N 2.91Å; Y448-S451 PolarHBondContact O-OG 2.87Å; S451-P453 WeakPolarHBondContact O-CD 3.06Å
452	H	97.8	Very high	98.1	Very high	52 Å²	52	43.3 Å²	43.3	24%	0.241	22%	0.222	C	C	.	.			trans	-117.5	85.8	-178.9	-71.9	77.5	0	0	0	109.6	Y448 E454 L455	Y448-H452 AromaticContact CD2-CE1 3.54Å; Y448-H452 AromaticContact CD2-ND1 3.98Å; Y448-H452 AromaticContact CE2-CE1 3.31Å; Y448-H452 WeakPolarHBondContact CE2-CE1 3.43Å; Y448-H452 AromaticContact CE2-ND1 3.96Å; Y448-H452 AromaticContact CE2-NE2 3.62Å; Y448-H452 AromaticContact CZ-CE1 3.6Å; Y448-H452 AromaticContact CZ-ND1 3.95Å; Y448-H452 AromaticContact CZ-NE2 3.63Å; Y448-H452 PolarHBondContact O-N 3.19Å; Y448-H452 PolarHBondContact O-ND1 3.44Å; H452-E454 WeakPolarHBondContact CA-OE2 3.46Å; H452-E454 WeakPolarHBondContact CB-OE1 3.47Å; H452-E454 IonicContact CD2-OE1 3.44Å; H452-E454 PolarHBondContact CD2-OE1 3.38Å; H452-E454 VanDerWaalsContact CD2-OE1 3.23Å; H452-E454 IonicContact CG-OE1 2.74Å; H452-E454 PolarHBondContact O-N 2.86Å; H452-E454 VanDerWaalsContact O-N 3.11Å; H452-L455 HydrophobicContact CB-CD1 3.8Å; H452-L455 HydrophobicContact CB-CG 3.95Å; H452-L455 WeakPolarHBondContact O-CB 3.23Å; H452-L455 PolarHBondContact O-N 2.96Å
453	P	95.5	Very high	98.1	Very high	99 Å²	99	43.5 Å²	43.5	64%	0.643	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-57	-27.3	-174.2	-25.2	34.9	0	0	0	114.4	S451 L455 H456	S451-P453 WeakPolarHBondContact O-CD 3.06Å; P453-L455 PolarHBondContact O-N 3.25Å; P453-H456 PolarHBondContact O-N 3.1Å
454	E	95.6	Very high	98.1	Very high	117 Å²	117	42.5 Å²	42.5	55%	0.547	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-65.2	-14.2	176.3	75.7	-77.5	-174.1	0	0	113.7	H452 H456	H452-E454 WeakPolarHBondContact CA-OE2 3.46Å; H452-E454 WeakPolarHBondContact CB-OE1 3.47Å; H452-E454 IonicContact CD2-OE1 3.44Å; H452-E454 PolarHBondContact CD2-OE1 3.38Å; H452-E454 VanDerWaalsContact CD2-OE1 3.23Å; H452-E454 IonicContact CG-OE1 2.74Å; H452-E454 PolarHBondContact O-N 2.86Å; H452-E454 VanDerWaalsContact O-N 3.11Å; E454-H456 VanDerWaalsContact C-N 3.32Å; E454-H456 PolarHBondContact O-CD2 3.46Å
455	L	96.3	Very high	98	Very high	16 Å²	16	40.1 Å²	40.1	8%	0.084	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-82.9	-10.9	173.7	-61.4	-178.5	0	0	0	112.8	L404 R408 Y448 M449 H452 P453 V457	L404-L455 HydrophobicContact CD2-CB 3.95Å; L404-L455 HydrophobicContact CD2-CD2 4.29Å; L404-L455 HydrophobicContact CD2-CG 4.49Å; R408-L455 PolarHBondContact NH2-O 3.44Å; Y448-L455 HydrophobicContact CD1-CD1 4.36Å; Y448-L455 HydrophobicContact CE1-CD1 4.07Å; M449-L455 HydrophobicContact CG-CD1 4.45Å; H452-L455 HydrophobicContact CB-CD1 3.8Å; H452-L455 HydrophobicContact CB-CG 3.95Å; H452-L455 WeakPolarHBondContact O-CB 3.23Å; H452-L455 PolarHBondContact O-N 2.96Å; P453-L455 PolarHBondContact O-N 3.25Å; L455-V457 VanDerWaalsContact C-N 3.28Å; L455-V457 HydrophobicContact CB-CG1 3.9Å; L455-V457 PolarHBondContact O-N 3.11Å
456	H	97.6	Very high	97.9	Very high	50 Å²	50	42.6 Å²	42.6	23%	0.231	22%	0.224	C	C	.	.			trans	47.8	46.5	176.4	-59.6	-74.5	0	0	0	113.4	W161 D162 P165 L166 P453 E454	W161-H456 HydrophobicContact CB-CB 3.66Å; W161-H456 WeakPolarHBondContact O-CB 3.24Å; D162-H456 IonicContact OD1-CD2 3.66Å; D162-H456 PolarHBondContact OD1-CD2 3.01Å; D162-H456 IonicContact OD1-NE2 3.23Å; D162-H456 PolarHBondContact OD1-NE2 3.07Å; P165-H456 CarbonylContact C-O 3.55Å; P165-H456 VanDerWaalsContact CA-O 3.25Å; P165-H456 WeakPolarHBondContact CA-O 3.43Å; L166-H456 PolarHBondContact N-O 2.83Å; P453-H456 PolarHBondContact O-N 3.1Å; E454-H456 VanDerWaalsContact C-N 3.32Å; E454-H456 PolarHBondContact O-CD2 3.46Å
457	V	97.9	Very high	97.9	Very high	14 Å²	14	42.5 Å²	42.5	9%	0.085	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	145.6	-178	60.9	0	0	0	0	111.1	L166 V168 L404 M449 L455 A459	L166-V457 HydrophobicContact CB-CG2 4.33Å; L166-V457 CarbonylContact O-C 3.22Å; L166-V457 WeakPolarHBondContact O-CA 3.4Å; L166-V457 WeakPolarHBondContact O-CG2 3.45Å; V168-V457 HydrophobicContact CG2-CG2 3.97Å; L404-V457 HydrophobicContact CD1-CB 3.88Å; L404-V457 HydrophobicContact CD1-CG1 4.03Å; L404-V457 HydrophobicContact CD1-CG2 3.78Å; L404-V457 HydrophobicContact CD2-CG1 4.01Å; M449-V457 HydrophobicContact CB-CG1 3.84Å; M449-V457 HydrophobicContact CG-CG1 4.26Å; M449-V457 HydrophobicContact SD-CG1 4.39Å; L455-V457 VanDerWaalsContact C-N 3.28Å; L455-V457 HydrophobicContact CB-CG1 3.9Å; L455-V457 PolarHBondContact O-N 3.11Å; V457-A459 HydrophobicContact CG2-CB 4.43Å
458	Q	98.1	Very high	97.9	Very high	94 Å²	94	39.2 Å²	39.2	44%	0.439	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	105.5	166.2	-176.7	176.7	4.5	0	0	108.8	L166 Q167 V168 N450	L166-Q458 PolarHBondContact O-N 2.93Å; Q167-Q458 CarbonylContact C-O 3.54Å; Q167-Q458 WeakPolarHBondContact CA-O 3.3Å; V168-Q458 PolarHBondContact N-O 3.5Å; N450-Q458 WeakPolarHBondContact OD1-CA 3.25Å
459	A	98.5	Very high	97.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	135	-179.6	0	0	0	0	0	111.5	V168 F446 M449 N450 V457	V168-A459 HydrophobicContact CB-CB 4.15Å; V168-A459 WeakPolarHBondContact O-CA 3.37Å; F446-A459 HydrophobicContact CD1-CB 3.59Å; F446-A459 HydrophobicContact CE1-CB 4.05Å; F446-A459 HydrophobicContact CG-CB 4.32Å; M449-A459 HydrophobicContact CE-CB 3.68Å; M449-A459 HydrophobicContact SD-CB 4.47Å; N450-A459 PolarHBondContact ND2-O 2.82Å; N450-A459 PolarHBondContact OD1-N 3.12Å; V457-A459 HydrophobicContact CG2-CB 4.43Å
460	Q	98.8	Very high	97.8	Very high	74 Å²	74	38.9 Å²	38.9	35%	0.346	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	162.7	178.8	60.8	-168.3	-9	0	0	111.6	V168 F169 V170	V168-Q460 PolarHBondContact O-N 2.83Å; F169-Q460 HydrophobicContact CD1-CG 4.14Å; F169-Q460 HydrophobicContact CE1-CG 4.2Å; V170-Q460 PolarHBondContact N-O 3.41Å
461	F	98.9	Very high	97.7	Very high	8 Å²	8	35.5 Å²	35.5	4%	0.035	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	139.8	161.6	-63.9	-66.6	0	0	0	109.4	V170 P172 K210 L423 Y439 Y442 F446	V170-F461 HydrophobicContact CB-CD1 4.38Å; V170-F461 HydrophobicContact CG1-CD1 4.36Å; V170-F461 HydrophobicContact CG1-CE1 4.42Å; V170-F461 CarbonylContact O-C 3.56Å; V170-F461 VanDerWaalsContact O-CA 3.28Å; V170-F461 WeakPolarHBondContact O-CA 3.2Å; P172-F461 HydrophobicContact CG-CD1 3.77Å; P172-F461 HydrophobicContact CG-CE1 4.15Å; K210-F461 HydrophobicContact CB-CB 3.97Å; K210-F461 HydrophobicContact CG-CB 3.89Å; L423-F461 HydrophobicContact CD2-CE1 4.4Å; Y439-F461 HydrophobicContact CD1-CD1 4.33Å; Y439-F461 AromaticContact CD1-CD2 3.96Å; Y439-F461 HydrophobicContact CD1-CD2 3.96Å; Y439-F461 AromaticContact CD1-CE1 3.84Å; Y439-F461 HydrophobicContact CD1-CE1 3.84Å; Y439-F461 AromaticContact CD1-CE2 3.44Å; Y439-F461 HydrophobicContact CD1-CE2 3.44Å; Y439-F461 VanDerWaalsContact CD1-CE2 3.44Å; Y439-F461 HydrophobicContact CD1-CG 4.37Å; Y439-F461 AromaticContact CD1-CZ 3.36Å; Y439-F461 HydrophobicContact CD1-CZ 3.36Å; Y439-F461 HydrophobicContact CE1-CD1 4.02Å; Y439-F461 HydrophobicContact CE1-CD2 4.09Å; Y439-F461 AromaticContact CE1-CE1 3.91Å; Y439-F461 HydrophobicContact CE1-CE1 3.91Å; Y439-F461 HydrophobicContact CE1-CE2 4Å; Y439-F461 HydrophobicContact CE1-CG 4.1Å; Y439-F461 AromaticContact CE1-CZ 3.9Å; Y439-F461 HydrophobicContact CE1-CZ 3.9Å; Y439-F461 HydrophobicContact CG-CE2 4.49Å; Y439-F461 HydrophobicContact CG-CZ 4.2Å; Y442-F461 VanDerWaalsContact CB-CZ 3.49Å; Y442-F461 HydrophobicContact CG-CE1 4.4Å; Y442-F461 HydrophobicContact CG-CZ 4.41Å; F446-F461 HydrophobicContact CD2-CD2 4.21Å; F446-F461 HydrophobicContact CD2-CE2 4.05Å; F446-F461 HydrophobicContact CD2-CZ 4.41Å; F446-F461 AromaticContact CE2-CD1 3.83Å; F446-F461 HydrophobicContact CE2-CD1 3.83Å; F446-F461 AromaticContact CE2-CD2 3.68Å; F446-F461 HydrophobicContact CE2-CD2 3.68Å; F446-F461 AromaticContact CE2-CE1 3.73Å; F446-F461 HydrophobicContact CE2-CE1 3.73Å; F446-F461 AromaticContact CE2-CE2 3.55Å; F446-F461 HydrophobicContact CE2-CE2 3.55Å; F446-F461 AromaticContact CE2-CG 3.81Å; F446-F461 HydrophobicContact CE2-CG 3.81Å; F446-F461 AromaticContact CE2-CZ 3.59Å; F446-F461 HydrophobicContact CE2-CZ 3.59Å; F446-F461 HydrophobicContact CZ-CD1 4.29Å; F446-F461 HydrophobicContact CZ-CE1 4.1Å; F446-F461 HydrophobicContact CZ-CZ 4.27Å
462	G	98.5	Very high	97.6	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.17	C	C	.	.			trans	-138.9	170.4	178.9	0	0	0	0	0	111.7	V170 K210 D466	V170-G462 PolarHBondContact O-N 3.48Å; K210-G462 WeakPolarHBondContact CB-O 3.43Å; G462-D466 WeakPolarHBondContact CA-OD2 3.11Å
463	T	98.8	Very high	97.5	Very high	5 Å²	5	38 Å²	38	3%	0.031	20%	0.195	C	C	.	.			trans	-103.9	179.3	161.6	75.1	0	0	0	0	110.6	K210 E244 T465 D466 Y467	K210-T463 HydrophobicContact CB-CG2 4.1Å; K210-T463 HydrophobicContact CD-CG2 4.16Å; K210-T463 HydrophobicContact CG-CG2 4.41Å; E244-T463 HydrophobicContact CB-CG2 3.88Å; E244-T463 WeakPolarHBondContact OE2-CB 3.31Å; E244-T463 PolarHBondContact OE2-OG1 3.44Å; T463-T465 VanDerWaalsContact C-N 3.35Å; T463-T465 PolarHBondContact OG1-N 3.31Å; T463-D466 PolarHBondContact N-OD2 2.88Å; T463-D466 PolarHBondContact O-N 2.79Å; T463-D466 PolarHBondContact OG1-N 2.72Å; T463-D466 PolarHBondContact OG1-OD2 2.76Å; T463-Y467 PolarHBondContact O-N 3.3Å
464	L	98.2	Very high	97.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-69.9	-36.2	177.6	-170.2	59.8	0	0	0	111.4	E244 V246 G285 W286 L310 L420 Y467 F468	E244-L464 PolarHBondContact OE2-N 3.01Å; V246-L464 HydrophobicContact CG1-CB 3.96Å; V246-L464 HydrophobicContact CG1-CD2 4.05Å; G285-L464 WeakPolarHBondContact O-CD2 3.29Å; W286-L464 HydrophobicContact CB-CD2 4.41Å; W286-L464 HydrophobicContact CE3-CD2 4.06Å; L310-L464 HydrophobicContact CD1-CD1 4.31Å; L420-L464 HydrophobicContact CD1-CD1 4.41Å; L420-L464 HydrophobicContact CD2-CD1 4.01Å; L464-Y467 HydrophobicContact CD1-CD1 4.24Å; L464-Y467 PolarHBondContact O-N 3Å; L464-F468 HydrophobicContact CD1-CD2 4.06Å; L464-F468 HydrophobicContact CD1-CE2 3.62Å; L464-F468 HydrophobicContact CD1-CZ 4.48Å; L464-F468 HydrophobicContact CD2-CE2 4.19Å; L464-F468 HydrophobicContact CG-CD2 3.89Å; L464-F468 HydrophobicContact CG-CE2 3.68Å; L464-F468 WeakPolarHBondContact O-CD2 3.45Å; L464-F468 PolarHBondContact O-N 3.39Å; L464-F468 VanDerWaalsContact O-N 3.08Å
465	T	97.3	Very high	97.3	Very high	34 Å²	34	33 Å²	33	21%	0.209	17%	0.169	C	C	.	.	H	α-helix	trans	-64.4	-38.6	173.1	-66.7	0	0	0	0	112.1	E244 T463 Y467 S469	E244-T465 PolarHBondContact OE1-N 3Å; E244-T465 PolarHBondContact OE1-OG1 3.32Å; E244-T465 WeakPolarHBondContact OE2-CB 3.38Å; E244-T465 PolarHBondContact OE2-N 3.32Å; E244-T465 PolarHBondContact OE2-OG1 3.39Å; E244-T465 VanDerWaalsContact OE2-OG1 3.11Å; T463-T465 VanDerWaalsContact C-N 3.35Å; T463-T465 PolarHBondContact OG1-N 3.31Å; T465-Y467 VanDerWaalsContact C-N 3.35Å; T465-Y467 PolarHBondContact O-N 3.13Å; T465-S469 WeakPolarHBondContact O-CB 3.33Å; T465-S469 PolarHBondContact O-N 2.86Å; T465-S469 PolarHBondContact O-OG 3.33Å
466	D	98.3	Very high	97.3	Very high	52 Å²	52	35.5 Å²	35.5	28%	0.278	20%	0.199	S	C	.	.	H	α-helix	trans	-58.6	-47.1	175.1	-70.1	-32.3	0	0	0	111.1	F169 G462 T463 A470	F169-D466 HydrophobicContact CD1-CB 3.87Å; F169-D466 HydrophobicContact CE1-CB 3.75Å; G462-D466 WeakPolarHBondContact CA-OD2 3.11Å; T463-D466 PolarHBondContact N-OD2 2.88Å; T463-D466 PolarHBondContact O-N 2.79Å; T463-D466 PolarHBondContact OG1-N 2.72Å; T463-D466 PolarHBondContact OG1-OD2 2.76Å; D466-A470 WeakPolarHBondContact O-CB 3.41Å; D466-A470 PolarHBondContact O-N 2.91Å
467	Y	98.6	Very high	97.1	Very high	1 Å²	1	34.9 Å²	34.9	0%	0.004	20%	0.199	C	C	.	.	H	α-helix	trans	-60.9	-53.6	178.1	161.6	-106.4	0	0	0	112.5	E329 H347 V418 L420 T463 L464 T465 S469 A470 L471	E329-Y467 PolarHBondContact OE1-OH 3.02Å; H347-Y467 PolarHBondContact CE1-OH 3.19Å; H347-Y467 AromaticContact ND1-CE1 3.89Å; H347-Y467 AromaticContact ND1-CZ 3.64Å; H347-Y467 PolarHBondContact ND1-OH 2.96Å; V418-Y467 HydrophobicContact CG1-CD2 3.76Å; V418-Y467 HydrophobicContact CG1-CE2 4.01Å; L420-Y467 HydrophobicContact CB-CD1 4.14Å; L420-Y467 HydrophobicContact CB-CD2 3.7Å; L420-Y467 HydrophobicContact CB-CE1 4.13Å; L420-Y467 HydrophobicContact CB-CE2 3.74Å; L420-Y467 HydrophobicContact CB-CG 3.92Å; L420-Y467 HydrophobicContact CD1-CD1 4.25Å; L420-Y467 HydrophobicContact CD1-CG 4.01Å; L420-Y467 HydrophobicContact CD2-CD1 4.07Å; L420-Y467 HydrophobicContact CD2-CE1 4.1Å; L420-Y467 HydrophobicContact CG-CD1 4.39Å; L420-Y467 HydrophobicContact CG-CG 4.38Å; T463-Y467 PolarHBondContact O-N 3.3Å; L464-Y467 HydrophobicContact CD1-CD1 4.24Å; L464-Y467 PolarHBondContact O-N 3Å; T465-Y467 VanDerWaalsContact C-N 3.35Å; T465-Y467 PolarHBondContact O-N 3.13Å; Y467-S469 VanDerWaalsContact C-N 3.33Å; Y467-S469 PolarHBondContact O-N 2.96Å; Y467-A470 PolarHBondContact O-N 3.31Å; Y467-L471 HydrophobicContact CE2-CD1 4.37Å; Y467-L471 PolarHBondContact O-N 3.47Å
468	F	98.1	Very high	96.9	Very high	3 Å²	3	38.7 Å²	38.7	1%	0.013	22%	0.224	C	C	.	.	H	α-helix	trans	-65.8	-37.4	-178.8	-78	-60.6	0	0	0	112.1	S308 M309 F345 H347 L464 A470 L471 Y472	S308-F468 VanDerWaalsContact CB-CD2 3.42Å; S308-F468 VanDerWaalsContact CB-CE2 3.48Å; M309-F468 WeakPolarHBondContact O-CZ 3.28Å; F345-F468 AromaticContact CD1-CD1 3.63Å; F345-F468 HydrophobicContact CD1-CD1 3.63Å; F345-F468 AromaticContact CD1-CE1 3.59Å; F345-F468 HydrophobicContact CD1-CE1 3.59Å; F345-F468 AromaticContact CE1-CD1 3.82Å; F345-F468 HydrophobicContact CE1-CD1 3.82Å; F345-F468 AromaticContact CE1-CE1 3.78Å; F345-F468 HydrophobicContact CE1-CE1 3.78Å; H347-F468 HydrophobicContact CB-CE1 4.2Å; H347-F468 HydrophobicContact CB-CZ 3.93Å; L464-F468 HydrophobicContact CD1-CD2 4.06Å; L464-F468 HydrophobicContact CD1-CE2 3.62Å; L464-F468 HydrophobicContact CD1-CZ 4.48Å; L464-F468 HydrophobicContact CD2-CE2 4.19Å; L464-F468 HydrophobicContact CG-CD2 3.89Å; L464-F468 HydrophobicContact CG-CE2 3.68Å; L464-F468 WeakPolarHBondContact O-CD2 3.45Å; L464-F468 PolarHBondContact O-N 3.39Å; L464-F468 VanDerWaalsContact O-N 3.08Å; F468-A470 VanDerWaalsContact C-N 3.35Å; F468-A470 PolarHBondContact O-N 3.28Å; F468-L471 PolarHBondContact O-N 3.09Å; F468-Y472 HydrophobicContact CB-CD2 4.38Å; F468-Y472 HydrophobicContact CB-CE2 4.11Å; F468-Y472 WeakPolarHBondContact O-CD2 3.43Å; F468-Y472 PolarHBondContact O-N 2.87Å
469	S	97.3	Very high	96.6	Very high	38 Å²	38	38.9 Å²	38.9	27%	0.266	22%	0.224	S	C	.	.	H	α-helix	trans	-63.6	-41.2	176.6	-60	0	0	0	0	111.8	T465 Y467 L471 K473 Q479	T465-S469 WeakPolarHBondContact O-CB 3.33Å; T465-S469 PolarHBondContact O-N 2.86Å; T465-S469 PolarHBondContact O-OG 3.33Å; Y467-S469 VanDerWaalsContact C-N 3.33Å; Y467-S469 PolarHBondContact O-N 2.96Å; S469-L471 VanDerWaalsContact C-N 3.32Å; S469-K473 VanDerWaalsContact O-CB 3.25Å; S469-K473 WeakPolarHBondContact O-CB 3.49Å; S469-K473 PolarHBondContact O-N 3.29Å; S469-Q479 PolarHBondContact OG-NE2 2.76Å
470	A	97.3	Very high	96.1	Very high	12 Å²	12	39.5 Å²	39.5	10%	0.099	23%	0.231	C	C	.	.	H	α-helix	trans	-62.9	-39.7	174.2	0	0	0	0	0	111.7	F169 V418 D466 Y467 F468 K473 A474	F169-A470 HydrophobicContact CE2-CB 3.53Å; F169-A470 HydrophobicContact CZ-CB 3.67Å; V418-A470 HydrophobicContact CG1-CB 3.82Å; V418-A470 HydrophobicContact CG2-CB 4.37Å; D466-A470 WeakPolarHBondContact O-CB 3.41Å; D466-A470 PolarHBondContact O-N 2.91Å; Y467-A470 PolarHBondContact O-N 3.31Å; F468-A470 VanDerWaalsContact C-N 3.35Å; F468-A470 PolarHBondContact O-N 3.28Å; A470-K473 PolarHBondContact O-N 3.19Å; A470-A474 WeakPolarHBondContact O-CB 3.42Å; A470-A474 PolarHBondContact O-N 3.17Å
471	L	95.9	Very high	95.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-65.2	-50.7	176.3	-168.2	154.7	0	0	0	111.8	E329 F345 Y467 F468 S469 K473 A474 Y475 P483 F486	E329-L471 VanDerWaalsContact OE1-CD1 3.28Å; E329-L471 WeakPolarHBondContact OE1-CD1 3.43Å; F345-L471 HydrophobicContact CE1-CD1 3.76Å; F345-L471 HydrophobicContact CE1-CD2 3.54Å; F345-L471 HydrophobicContact CE1-CG 4.24Å; F345-L471 HydrophobicContact CZ-CD1 3.94Å; F345-L471 HydrophobicContact CZ-CD2 3.71Å; F345-L471 HydrophobicContact CZ-CG 4.5Å; Y467-L471 HydrophobicContact CE2-CD1 4.37Å; Y467-L471 PolarHBondContact O-N 3.47Å; F468-L471 PolarHBondContact O-N 3.09Å; S469-L471 VanDerWaalsContact C-N 3.32Å; L471-K473 VanDerWaalsContact C-N 3.26Å; L471-K473 PolarHBondContact O-N 3.5Å; L471-A474 PolarHBondContact O-N 2.84Å; L471-A474 VanDerWaalsContact O-N 3.15Å; L471-Y475 HydrophobicContact CD2-CD2 4.21Å; L471-Y475 HydrophobicContact CD2-CE2 4.47Å; L471-Y475 WeakPolarHBondContact O-CD2 3.17Å; L471-Y475 PolarHBondContact O-N 3.07Å; L471-P483 HydrophobicContact CD2-CG 4.11Å; L471-F486 HydrophobicContact CD1-CZ 4.34Å; L471-F486 HydrophobicContact CD2-CE2 4.29Å; L471-F486 HydrophobicContact CD2-CZ 4Å; L471-F486 HydrophobicContact CG-CZ 4.45Å
472	Y	96.3	Very high	95.5	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.016	25%	0.247	C	C	.	.	H	α-helix	trans	-57.9	-41	176.6	-70.7	-59	0	0	0	112.1	T307 S308 F345 F468 Y475 G476 V477 Q479 G480 S481	T307-Y472 PolarHBondContact O-OH 3.39Å; S308-Y472 PolarHBondContact OG-OH 2.92Å; F345-Y472 VanDerWaalsContact CB-OH 3.31Å; F345-Y472 WeakPolarHBondContact CB-OH 3.42Å; F345-Y472 HydrophobicContact CD1-CE1 4.4Å; F468-Y472 HydrophobicContact CB-CD2 4.38Å; F468-Y472 HydrophobicContact CB-CE2 4.11Å; F468-Y472 WeakPolarHBondContact O-CD2 3.43Å; F468-Y472 PolarHBondContact O-N 2.87Å; Y472-Y475 PolarHBondContact O-N 3.15Å; Y472-G476 PolarHBondContact O-N 3.12Å; Y472-V477 HydrophobicContact CD1-CG2 3.84Å; Y472-V477 PolarHBondContact O-N 2.94Å; Y472-V477 VanDerWaalsContact O-N 3.11Å; Y472-Q479 HydrophobicContact CD2-CB 4.09Å; Y472-Q479 HydrophobicContact CD2-CG 3.67Å; Y472-Q479 HydrophobicContact CE2-CB 4.12Å; Y472-Q479 HydrophobicContact CE2-CG 4.1Å; Y472-Q479 HydrophobicContact CG-CG 4.31Å; Y472-G480 PolarHBondContact OH-N 2.83Å; Y472-S481 WeakPolarHBondContact CE1-O 3.26Å
473	K	95.6	Very high	95.1	Very high	177 Å²	177	42.6 Å²	42.6	77%	0.77	25%	0.247	S	C	*	.	H	α-helix	trans	-63.6	-42.7	176	-176.1	-178.7	177.3	-174.7	0	112.2	S469 A470 L471 Y475 G476	S469-K473 VanDerWaalsContact O-CB 3.25Å; S469-K473 WeakPolarHBondContact O-CB 3.49Å; S469-K473 PolarHBondContact O-N 3.29Å; A470-K473 PolarHBondContact O-N 3.19Å; L471-K473 VanDerWaalsContact C-N 3.26Å; L471-K473 PolarHBondContact O-N 3.5Å; K473-Y475 PolarHBondContact O-N 2.75Å; K473-G476 PolarHBondContact O-N 3.41Å; K473-G476 VanDerWaalsContact O-N 3.09Å
474	A	93.8	Very high	94.5	Very high	49 Å²	49	45.4 Å²	45.4	41%	0.405	28%	0.277	S	S	.	.	H	α-helix	trans	-60.3	-31.5	179.2	0	0	0	0	0	112.5	V418 A470 L471	V418-A474 HydrophobicContact CG2-CB 4.28Å; A470-A474 WeakPolarHBondContact O-CB 3.42Å; A470-A474 PolarHBondContact O-N 3.17Å; L471-A474 PolarHBondContact O-N 2.84Å; L471-A474 VanDerWaalsContact O-N 3.15Å
475	Y	94.3	Very high	93.9	Very high	61 Å²	61	50.4 Å²	50.4	24%	0.239	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	2.3	177.1	-72.7	-92.8	0	0	0	114.1	R415 L471 Y472 K473 V477 P483 D485 F486	R415-Y475 PolarHBondContact O-OH 3.27Å; L471-Y475 HydrophobicContact CD2-CD2 4.21Å; L471-Y475 HydrophobicContact CD2-CE2 4.47Å; L471-Y475 WeakPolarHBondContact O-CD2 3.17Å; L471-Y475 PolarHBondContact O-N 3.07Å; Y472-Y475 PolarHBondContact O-N 3.15Å; K473-Y475 PolarHBondContact O-N 2.75Å; Y475-V477 VanDerWaalsContact C-N 3.29Å; Y475-V477 PolarHBondContact O-N 3.04Å; Y475-P483 HydrophobicContact CD1-CB 4.05Å; Y475-P483 HydrophobicContact CD2-CB 4.29Å; Y475-P483 HydrophobicContact CG-CB 3.75Å; Y475-D485 HydrophobicContact CE1-CB 4.38Å; Y475-F486 HydrophobicContact CD1-CE2 4.23Å; Y475-F486 AromaticContact CD2-CE2 3.97Å; Y475-F486 HydrophobicContact CD2-CE2 3.97Å; Y475-F486 HydrophobicContact CD2-CZ 4.48Å; Y475-F486 AromaticContact CE1-CE2 3.78Å; Y475-F486 HydrophobicContact CE1-CE2 3.78Å; Y475-F486 AromaticContact CE2-CE2 3.52Å; Y475-F486 HydrophobicContact CE2-CE2 3.52Å; Y475-F486 AromaticContact CE2-CZ 3.76Å; Y475-F486 HydrophobicContact CE2-CZ 3.76Å; Y475-F486 HydrophobicContact CG-CE2 4.31Å; Y475-F486 AromaticContact CZ-CE2 3.41Å; Y475-F486 VanDerWaalsContact CZ-CE2 3.41Å; Y475-F486 AromaticContact CZ-CZ 3.83Å
476	G	94.7	Very high	93.8	Very high	69 Å²	69	48.9 Å²	48.9	71%	0.711	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	28.1	177.8	0	0	0	0	0	114.8	Y472 K473	Y472-G476 PolarHBondContact O-N 3.12Å; K473-G476 PolarHBondContact O-N 3.41Å; K473-G476 VanDerWaalsContact O-N 3.09Å
477	V	94.7	Very high	93.7	Very high	38 Å²	38	46.8 Å²	46.8	23%	0.23	28%	0.283	C	S	.	.			trans	-113	151.4	-178.5	-64.4	0	0	0	0	112.1	Y472 Y475 P483	Y472-V477 HydrophobicContact CD1-CG2 3.84Å; Y472-V477 PolarHBondContact O-N 2.94Å; Y472-V477 VanDerWaalsContact O-N 3.11Å; Y475-V477 VanDerWaalsContact C-N 3.29Å; Y475-V477 PolarHBondContact O-N 3.04Å; V477-P483 HydrophobicContact CG2-CB 4.04Å; V477-P483 HydrophobicContact CG2-CG 4.21Å
478	P	93.8	Very high	93.6	Very high	93 Å²	93	46.9 Å²	46.9	60%	0.604	28%	0.284	S	S	*	.			trans	-63.5	151.4	171.9	-19.3	31.9	0	0	0	112.1	G480 S481	P478-G480 PolarHBondContact O-N 2.8Å; P478-S481 VanDerWaalsContact O-CB 3.24Å; P478-S481 WeakPolarHBondContact O-CB 3.32Å; P478-S481 PolarHBondContact O-N 3.37Å; P478-S481 VanDerWaalsContact O-N 3.08Å; P478-S481 PolarHBondContact O-OG 3.35Å
479	Q	91.5	Very high	93.6	Very high	98 Å²	98	46.8 Å²	46.8	46%	0.458	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	137.7	173.2	-70.6	-178.1	-26.3	0	0	111.3	S469 Y472 S481	S469-Q479 PolarHBondContact OG-NE2 2.76Å; Y472-Q479 HydrophobicContact CD2-CB 4.09Å; Y472-Q479 HydrophobicContact CD2-CG 3.67Å; Y472-Q479 HydrophobicContact CE2-CB 4.12Å; Y472-Q479 HydrophobicContact CE2-CG 4.1Å; Y472-Q479 HydrophobicContact CG-CG 4.31Å; Q479-S481 PolarHBondContact O-N 2.91Å
480	G	88.6	Confident	93.6	Very high	14 Å²	14	45.1 Å²	45.1	14%	0.144	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	0.4	-177.8	0	0	0	0	0	115.1	Y472 P478	Y472-G480 PolarHBondContact OH-N 2.83Å; P478-G480 PolarHBondContact O-N 2.8Å
481	S	91.9	Very high	93.5	Very high	47 Å²	47	44.6 Å²	44.6	33%	0.329	27%	0.268	S	S	.	.	S	Bend	trans	-91.7	149.9	171.9	-56.3	0	0	0	0	110.9	Y472 P478 Q479 P483	Y472-S481 WeakPolarHBondContact CE1-O 3.26Å; P478-S481 VanDerWaalsContact O-CB 3.24Å; P478-S481 WeakPolarHBondContact O-CB 3.32Å; P478-S481 PolarHBondContact O-N 3.37Å; P478-S481 VanDerWaalsContact O-N 3.08Å; P478-S481 PolarHBondContact O-OG 3.35Å; Q479-S481 PolarHBondContact O-N 2.91Å; S481-P483 VanDerWaalsContact O-CD 3.29Å; S481-P483 WeakPolarHBondContact O-CD 3.38Å
482	R	92	Very high	93.6	Very high	100 Å²	100	44.9 Å²	44.9	38%	0.377	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-66.7	120.4	174.8	177.9	178.4	178.5	180	6.4	110.3	D128 M331 F486 V488	D128-R482 IonicContact OD2-CZ 3.2Å; D128-R482 IonicContact OD2-NH1 3.49Å; D128-R482 IonicContact OD2-NH2 2.9Å; D128-R482 PolarHBondContact OD2-NH2 2.84Å; M331-R482 HydrophobicContact CG-CB 3.78Å; M331-R482 HydrophobicContact CG-CG 3.67Å; M331-R482 HydrophobicContact SD-CB 4.13Å; M331-R482 HydrophobicContact SD-CG 4.45Å; R482-F486 VanDerWaalsContact CZ-O 3.23Å; R482-F486 PolarHBondContact NE-O 3.41Å; R482-F486 PolarHBondContact NH2-O 2.7Å; R482-V488 VanDerWaalsContact NH1-CG2 3.29Å
483	P	91.3	Very high	93.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-73.3	139.8	165.8	2.5	13.8	0	0	0	109.8	L471 Y475 V477 S481 D485 F486	L471-P483 HydrophobicContact CD2-CG 4.11Å; Y475-P483 HydrophobicContact CD1-CB 4.05Å; Y475-P483 HydrophobicContact CD2-CB 4.29Å; Y475-P483 HydrophobicContact CG-CB 3.75Å; V477-P483 HydrophobicContact CG2-CB 4.04Å; V477-P483 HydrophobicContact CG2-CG 4.21Å; S481-P483 VanDerWaalsContact O-CD 3.29Å; S481-P483 WeakPolarHBondContact O-CD 3.38Å; P483-D485 VanDerWaalsContact C-N 3.27Å; P483-D485 PolarHBondContact O-N 2.8Å; P483-D485 VanDerWaalsContact O-N 3.08Å; P483-F486 HydrophobicContact CB-CD2 3.48Å; P483-F486 VanDerWaalsContact CB-CD2 3.48Å; P483-F486 HydrophobicContact CB-CE2 3.68Å; P483-F486 HydrophobicContact CG-CD2 3.56Å; P483-F486 HydrophobicContact CG-CE2 3.79Å; P483-F486 HydrophobicContact CG-CG 4.27Å; P483-F486 PolarHBondContact O-N 3.39Å
484	G	84.3	Confident	93.9	Very high	64 Å²	64	36.3 Å²	36.3	66%	0.66	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-32.7	-161.8	0	0	0	0	0	115.8
485	D	86.8	Confident	94.1	Very high	105 Å²	105	34 Å²	34	56%	0.561	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.4	3.1	-177	-63.9	-37.5	0	0	0	114	R415 Y475 P483	R415-D485 WeakPolarHBondContact CD-O 3.36Å; R415-D485 PolarHBondContact NE-O 3.32Å; R415-D485 PolarHBondContact NH1-O 3.06Å; Y475-D485 HydrophobicContact CE1-CB 4.38Å; P483-D485 VanDerWaalsContact C-N 3.27Å; P483-D485 PolarHBondContact O-N 2.8Å; P483-D485 VanDerWaalsContact O-N 3.08Å
486	F	95	Very high	94.3	Very high	1 Å²	1	31.3 Å²	31.3	0%	0.004	20%	0.203	C	C	.	.	S	Bend	trans	-95.7	136.5	-178	-68.3	-99.2	0	0	0	111.4	E329 F345 R415 L471 Y475 R482 P483	E329-F486 HydrophobicContact CB-CD1 3.48Å; E329-F486 VanDerWaalsContact CB-CD1 3.48Å; E329-F486 HydrophobicContact CB-CE1 3.4Å; E329-F486 VanDerWaalsContact CB-CE1 3.4Å; E329-F486 HydrophobicContact CG-CE1 4.15Å; E329-F486 WeakPolarHBondContact OE2-CE1 3.25Å; F345-F486 HydrophobicContact CE2-CB 4.28Å; F345-F486 AromaticContact CE2-CD1 3.57Å; F345-F486 HydrophobicContact CE2-CD1 3.57Å; F345-F486 HydrophobicContact CE2-CE1 4.01Å; F345-F486 AromaticContact CE2-CG 3.91Å; F345-F486 HydrophobicContact CE2-CG 3.91Å; F345-F486 AromaticContact CZ-CD1 3.77Å; F345-F486 HydrophobicContact CZ-CD1 3.77Å; F345-F486 AromaticContact CZ-CE1 3.69Å; F345-F486 HydrophobicContact CZ-CE1 3.69Å; F345-F486 HydrophobicContact CZ-CG 4.34Å; F345-F486 HydrophobicContact CZ-CZ 4.2Å; R415-F486 HydrophobicContact CB-CE1 4.23Å; R415-F486 HydrophobicContact CB-CZ 4.19Å; L471-F486 HydrophobicContact CD1-CZ 4.34Å; L471-F486 HydrophobicContact CD2-CE2 4.29Å; L471-F486 HydrophobicContact CD2-CZ 4Å; L471-F486 HydrophobicContact CG-CZ 4.45Å; Y475-F486 HydrophobicContact CD1-CE2 4.23Å; Y475-F486 AromaticContact CD2-CE2 3.97Å; Y475-F486 HydrophobicContact CD2-CE2 3.97Å; Y475-F486 HydrophobicContact CD2-CZ 4.48Å; Y475-F486 AromaticContact CE1-CE2 3.78Å; Y475-F486 HydrophobicContact CE1-CE2 3.78Å; Y475-F486 AromaticContact CE2-CE2 3.52Å; Y475-F486 HydrophobicContact CE2-CE2 3.52Å; Y475-F486 AromaticContact CE2-CZ 3.76Å; Y475-F486 HydrophobicContact CE2-CZ 3.76Å; Y475-F486 HydrophobicContact CG-CE2 4.31Å; Y475-F486 AromaticContact CZ-CE2 3.41Å; Y475-F486 VanDerWaalsContact CZ-CE2 3.41Å; Y475-F486 AromaticContact CZ-CZ 3.83Å; R482-F486 VanDerWaalsContact CZ-O 3.23Å; R482-F486 PolarHBondContact NE-O 3.41Å; R482-F486 PolarHBondContact NH2-O 2.7Å; P483-F486 HydrophobicContact CB-CD2 3.48Å; P483-F486 VanDerWaalsContact CB-CD2 3.48Å; P483-F486 HydrophobicContact CB-CE2 3.68Å; P483-F486 HydrophobicContact CG-CD2 3.56Å; P483-F486 HydrophobicContact CG-CE2 3.79Å; P483-F486 HydrophobicContact CG-CG 4.27Å; P483-F486 PolarHBondContact O-N 3.39Å
487	P	96.5	Very high	94.5	Very high	9 Å²	9	28 Å²	28	6%	0.058	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-71.3	152.2	179.7	28.9	-33.7	0	0	0	112	D128 V129 E329 F330 M331	D128-P487 HydrophobicContact CB-CB 3.91Å; D128-P487 WeakPolarHBondContact OD2-CA 3.47Å; V129-P487 HydrophobicContact CG2-CB 4.09Å; E329-P487 WeakPolarHBondContact O-CD 3.38Å; F330-P487 CarbonylContact C-O 3.59Å; F330-P487 VanDerWaalsContact CA-O 3.24Å; F330-P487 WeakPolarHBondContact CA-O 3.21Å; F330-P487 HydrophobicContact CB-CG 4.05Å; F330-P487 VanDerWaalsContact CB-O 3.31Å; F330-P487 WeakPolarHBondContact CB-O 3.4Å; M331-P487 PolarHBondContact N-O 2.68Å
488	V	96.8	Very high	94.6	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.012	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	128.9	164.5	179.2	0	0	0	0	108.6	T127 D128 V129 M331 R333 R482	T127-V488 HydrophobicContact CG2-CG1 3.69Å; D128-V488 PolarHBondContact N-O 2.92Å; D128-V488 PolarHBondContact OD2-N 3.43Å; V129-V488 PolarHBondContact N-O 3.05Å; M331-V488 HydrophobicContact CB-CG2 4.08Å; M331-V488 CarbonylContact O-C 3.56Å; M331-V488 WeakPolarHBondContact O-CA 3.23Å; R333-V488 HydrophobicContact CB-CG1 3.81Å; R482-V488 VanDerWaalsContact NH1-CG2 3.29Å
489	L	97.4	Very high	94.7	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	141.8	-179.3	-176.9	150.1	0	0	0	111.2	V129 M131 F322 F330 M331 W332 R333 F493	V129-L489 HydrophobicContact CB-CB 4.28Å; V129-L489 HydrophobicContact CB-CD1 4.28Å; V129-L489 HydrophobicContact CB-CG 4.24Å; V129-L489 HydrophobicContact CG1-CD1 3.91Å; V129-L489 HydrophobicContact CG1-CG 4.19Å; V129-L489 CarbonylContact O-C 3.49Å; V129-L489 VanDerWaalsContact O-CA 3.27Å; V129-L489 WeakPolarHBondContact O-CA 3.21Å; M131-L489 HydrophobicContact CG-CD2 4.06Å; M131-L489 HydrophobicContact CG-CG 4.43Å; M131-L489 HydrophobicContact SD-CD1 3.88Å; M131-L489 HydrophobicContact SD-CD2 4.42Å; M131-L489 HydrophobicContact SD-CG 4.36Å; F322-L489 HydrophobicContact CE2-CD1 3.45Å; F322-L489 VanDerWaalsContact CE2-CD1 3.45Å; F322-L489 HydrophobicContact CZ-CD1 3.56Å; F330-L489 HydrophobicContact CB-CB 4.09Å; F330-L489 HydrophobicContact CD1-CD1 4.2Å; F330-L489 HydrophobicContact CD2-CB 3.5Å; F330-L489 VanDerWaalsContact CD2-CB 3.5Å; F330-L489 HydrophobicContact CD2-CD1 4.03Å; F330-L489 HydrophobicContact CD2-CD2 4.24Å; F330-L489 HydrophobicContact CD2-CG 4.14Å; F330-L489 HydrophobicContact CE1-CD1 4.23Å; F330-L489 HydrophobicContact CE2-CB 4.08Å; F330-L489 HydrophobicContact CE2-CD1 4.02Å; F330-L489 HydrophobicContact CE2-CD2 3.92Å; F330-L489 HydrophobicContact CE2-CG 4.25Å; F330-L489 HydrophobicContact CG-CB 3.88Å; F330-L489 HydrophobicContact CG-CD1 4.11Å; F330-L489 HydrophobicContact CZ-CD1 4.13Å; M331-L489 PolarHBondContact O-N 3.42Å; W332-L489 HydrophobicContact CG-CD2 4.37Å; R333-L489 PolarHBondContact N-O 3.17Å; L489-F493 HydrophobicContact CD1-CE1 4.46Å; L489-F493 HydrophobicContact CD1-CZ 3.96Å; L489-F493 HydrophobicContact CD2-CE2 4.35Å; L489-F493 HydrophobicContact CD2-CZ 3.91Å
490	S	96.7	Very high	94.8	Very high	4 Å²	4	26 Å²	26	3%	0.028	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	155.6	167.9	63.9	0	0	0	0	112.3	T127 V129 Q130 M131	T127-S490 PolarHBondContact OG1-OG 3.39Å; V129-S490 PolarHBondContact O-N 2.88Å; Q130-S490 PolarHBondContact NE2-O 2.97Å; Q130-S490 VanDerWaalsContact NE2-O 3.16Å; Q130-S490 PolarHBondContact NE2-OG 2.62Å; Q130-S490 VanDerWaalsContact NE2-OG 3.1Å; M131-S490 WeakPolarHBondContact CG-O 3.3Å; M131-S490 PolarHBondContact N-O 3.05Å
491	G	95.9	Very high	95.2	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.01	15%	0.152	C	C	.	.	S	Bend	trans	106.1	-174.7	-175.2	0	0	0	0	0	112.2	W332	W332-G491 PolarHBondContact NE1-O 3.06Å
492	D	98.1	Very high	95.4	Very high	6 Å²	6	25.8 Å²	25.8	3%	0.032	14%	0.137	C	C	.	.			trans	-117.4	178.9	-178	70.9	-24.6	0	0	0	112.1	F494 L903 R911	D492-F494 HydrophobicContact CB-CD2 4.48Å; D492-F494 WeakPolarHBondContact OD2-CD2 3.29Å; D492-L903 HydrophobicContact CB-CD1 4.01Å; D492-L903 HydrophobicContact CB-CD2 4.4Å; D492-R911 IonicContact OD1-CZ 2.81Å; D492-R911 IonicContact OD1-NH1 3.28Å; D492-R911 PolarHBondContact OD1-NH1 2.95Å; D492-R911 IonicContact OD2-CZ 3.79Å; D492-R911 IonicContact OD2-NH1 3.61Å; D492-R911 PolarHBondContact OD2-NH1 2.71Å; D492-R911 IonicContact OD2-NH2 3.35Å; D492-R911 PolarHBondContact OD2-NH2 2.94Å
493	F	98.7	Very high	95.7	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.12	C	C	.	.			trans	-119.1	38.9	-177.8	-61.8	-75.7	0	0	0	112.4	M131 H293 I311 I314 I318 F322 F330 W332 M348 L489	M131-F493 HydrophobicContact CE-CD1 3.74Å; M131-F493 HydrophobicContact CE-CE1 3.65Å; M131-F493 HydrophobicContact CG-CE1 4.32Å; M131-F493 HydrophobicContact SD-CD1 4.26Å; M131-F493 HydrophobicContact SD-CE1 3.61Å; M131-F493 HydrophobicContact SD-CZ 4.24Å; H293-F493 HydrophobicContact CB-CB 4.37Å; H293-F493 HydrophobicContact CB-CD2 4.17Å; H293-F493 PolarHBondContact O-N 2.83Å; I311-F493 HydrophobicContact CD1-CD2 4.05Å; I311-F493 HydrophobicContact CD1-CE2 3.75Å; I311-F493 HydrophobicContact CD1-CZ 4.45Å; I314-F493 HydrophobicContact CD1-CB 4.1Å; I314-F493 HydrophobicContact CD1-CD1 3.74Å; I314-F493 HydrophobicContact CD1-CD2 3.88Å; I314-F493 HydrophobicContact CD1-CE1 4.08Å; I314-F493 HydrophobicContact CD1-CE2 4.21Å; I314-F493 HydrophobicContact CD1-CG 3.62Å; I314-F493 HydrophobicContact CD1-CZ 4.3Å; I314-F493 HydrophobicContact CG1-CB 3.9Å; I314-F493 HydrophobicContact CG1-CD1 4.22Å; I314-F493 HydrophobicContact CG1-CG 3.99Å; I314-F493 HydrophobicContact CG2-CB 4.24Å; I314-F493 HydrophobicContact CG2-CD1 3.69Å; I314-F493 HydrophobicContact CG2-CE1 4.42Å; I314-F493 HydrophobicContact CG2-CG 4.23Å; I318-F493 HydrophobicContact CG2-CD1 4.5Å; I318-F493 HydrophobicContact CG2-CE1 4.39Å; F322-F493 HydrophobicContact CE2-CE1 4.23Å; F330-F493 HydrophobicContact CE1-CZ 4.36Å; F330-F493 HydrophobicContact CE2-CE2 4.44Å; F330-F493 HydrophobicContact CE2-CZ 4.28Å; F330-F493 AromaticContact CZ-CE2 3.97Å; F330-F493 HydrophobicContact CZ-CE2 3.97Å; F330-F493 AromaticContact CZ-CZ 3.65Å; F330-F493 HydrophobicContact CZ-CZ 3.65Å; W332-F493 HydrophobicContact CD2-CE2 4.4Å; W332-F493 AromaticContact CE2-CE2 3.95Å; W332-F493 HydrophobicContact CE3-CE2 4.44Å; W332-F493 AromaticContact CH2-CD2 3.66Å; W332-F493 HydrophobicContact CH2-CD2 3.66Å; W332-F493 AromaticContact CH2-CE2 3.7Å; W332-F493 HydrophobicContact CH2-CE2 3.7Å; W332-F493 AromaticContact CZ2-CD2 3.71Å; W332-F493 HydrophobicContact CZ2-CD2 3.71Å; W332-F493 AromaticContact CZ2-CE2 3.59Å; W332-F493 HydrophobicContact CZ2-CE2 3.59Å; W332-F493 HydrophobicContact CZ3-CD2 4.39Å; W332-F493 HydrophobicContact CZ3-CE2 4.12Å; M348-F493 HydrophobicContact CE-CD1 4.22Å; M348-F493 HydrophobicContact CE-CE1 3.49Å; M348-F493 VanDerWaalsContact CE-CE1 3.49Å; M348-F493 HydrophobicContact CE-CE2 4.47Å; M348-F493 HydrophobicContact CE-CZ 3.64Å; L489-F493 HydrophobicContact CD1-CE1 4.46Å; L489-F493 HydrophobicContact CD1-CZ 3.96Å; L489-F493 HydrophobicContact CD2-CE2 4.35Å; L489-F493 HydrophobicContact CD2-CZ 3.91Å
494	F	98.6	Very high	96.1	Very high	1 Å²	1	21.5 Å²	21.5	0%	0.004	12%	0.121	C	C	.	.			trans	-106	146.5	171.9	-65	-57.6	0	0	0	112.1	Y135 E255 A256 G292 D492 Y508 L903 Y924 P925	Y135-F494 PolarHBondContact OH-O 3.36Å; E255-F494 HydrophobicContact CB-CZ 4.3Å; A256-F494 HydrophobicContact CB-CE1 3.88Å; A256-F494 HydrophobicContact CB-CE2 4.4Å; A256-F494 HydrophobicContact CB-CZ 3.69Å; G292-F494 VanDerWaalsContact CA-CE1 3.46Å; D492-F494 HydrophobicContact CB-CD2 4.48Å; D492-F494 WeakPolarHBondContact OD2-CD2 3.29Å; F494-Y508 WeakPolarHBondContact CD1-OH 3.13Å; F494-L903 HydrophobicContact CD2-CD2 4.11Å; F494-L903 HydrophobicContact CE2-CD2 4.2Å; F494-Y924 HydrophobicContact CB-CD1 4.31Å; F494-Y924 WeakPolarHBondContact O-CE1 3.34Å; F494-P925 HydrophobicContact CD2-CG 3.99Å; F494-P925 HydrophobicContact CE2-CG 4.22Å; F494-P925 HydrophobicContact CG-CG 4.34Å
495	A	98.4	Very high	96.8	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.008	9%	0.091	C	C	.	.	S	Bend	cis	-88.1	141.8	-4.6	0	0	0	0	0	112.9	Y503 T505	A495-Y503 HydrophobicContact CB-CD1 3.96Å; A495-T505 HydrophobicContact CB-CG2 3.46Å; A495-T505 VanDerWaalsContact CB-CG2 3.46Å
496	Y	98.8	Very high	97.4	Very high	4 Å²	4	13.8 Å²	13.8	2%	0.016	7%	0.065	C	C	.	.			trans	-73.7	135	176.9	170	-123.3	0	0	0	111.7	F291 R313 D498 Y503 W504	F291-Y496 HydrophobicContact CB-CD1 4.24Å; R313-Y496 VanDerWaalsContact C-CD2 3.49Å; R313-Y496 HydrophobicContact CB-CD1 4.33Å; R313-Y496 HydrophobicContact CB-CD2 4.2Å; R313-Y496 HydrophobicContact CB-CE1 4.04Å; R313-Y496 HydrophobicContact CB-CE2 3.9Å; R313-Y496 HydrophobicContact CB-CG 4.4Å; R313-Y496 HydrophobicContact CG-CE1 4.34Å; R313-Y496 PolarHBondContact NH1-OH 3.2Å; R313-Y496 WeakPolarHBondContact O-CD2 3.37Å; Y496-D498 HydrophobicContact CE1-CB 4.13Å; Y496-D498 HydrophobicContact CE2-CB 4.26Å; Y496-D498 WeakPolarHBondContact OH-CB 3.42Å; Y496-Y503 WeakPolarHBondContact O-CA 3.19Å; Y496-W504 HydrophobicContact CD1-CB 3.98Å; Y496-W504 AromaticContact CD1-CD1 3.67Å; Y496-W504 AromaticContact CD1-CD2 3.71Å; Y496-W504 HydrophobicContact CD1-CD2 3.71Å; Y496-W504 AromaticContact CD1-CE2 3.96Å; Y496-W504 HydrophobicContact CD1-CE3 4.28Å; Y496-W504 AromaticContact CD1-CG 3.55Å; Y496-W504 HydrophobicContact CD1-CG 3.55Å; Y496-W504 AromaticContact CD1-NE1 3.96Å; Y496-W504 AromaticContact CE1-CD1 3.85Å; Y496-W504 AromaticContact CE1-CD2 3.66Å; Y496-W504 HydrophobicContact CE1-CD2 3.66Å; Y496-W504 AromaticContact CE1-CE2 3.45Å; Y496-W504 VanDerWaalsContact CE1-CE2 3.45Å; Y496-W504 HydrophobicContact CE1-CE3 4.18Å; Y496-W504 AromaticContact CE1-CG 3.93Å; Y496-W504 HydrophobicContact CE1-CG 3.93Å; Y496-W504 HydrophobicContact CE1-CH2 4.33Å; Y496-W504 AromaticContact CE1-CZ2 3.8Å; Y496-W504 HydrophobicContact CE1-CZ2 3.8Å; Y496-W504 AromaticContact CE1-NE1 3.62Å; Y496-W504 PolarHBondContact O-N 3.08Å
497	A	98.6	Very high	97.6	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.065	C	C	.	.	B	Isolated β-bridge	trans	-131.4	129	163.5	0	0	0	0	0	109.3	Y316 H502 Y503	Y316-A497 WeakPolarHBondContact CD1-O 3.38Å; Y316-A497 HydrophobicContact CE1-CB 4.34Å; Y316-A497 PolarHBondContact N-O 3.48Å; A497-H502 WeakPolarHBondContact CA-O 3.47Å; A497-Y503 HydrophobicContact CB-CD1 3.97Å; A497-Y503 HydrophobicContact CB-CD2 4.21Å; A497-Y503 HydrophobicContact CB-CE1 4.07Å; A497-Y503 HydrophobicContact CB-CE2 4.26Å; A497-Y503 HydrophobicContact CB-CG 4.06Å
498	D	97.4	Very high	97.7	Very high	4 Å²	4	13.3 Å²	13.3	2%	0.021	6%	0.062	C	C	.	.	S	Bend	trans	-83.6	-31.6	-179	65.3	-47.2	0	0	0	112	Q150 Y352 Y496 H502 W504 R971	Q150-D498 PolarHBondContact NE2-O 3.44Å; Y352-D498 WeakPolarHBondContact CD2-O 3.14Å; Y352-D498 HydrophobicContact CE2-CB 3.9Å; Y352-D498 WeakPolarHBondContact CE2-O 3.42Å; Y352-D498 PolarHBondContact OH-OD2 2.9Å; Y496-D498 HydrophobicContact CE1-CB 4.13Å; Y496-D498 HydrophobicContact CE2-CB 4.26Å; Y496-D498 WeakPolarHBondContact OH-CB 3.42Å; D498-H502 WeakPolarHBondContact OD1-CB 3.43Å; D498-W504 HydrophobicContact CB-CZ2 4.3Å; D498-W504 VanDerWaalsContact CG-NE1 3.35Å; D498-W504 PolarHBondContact OD1-NE1 3.29Å; D498-R971 IonicContact OD1-CZ 3.44Å; D498-R971 IonicContact OD1-NE 3.48Å; D498-R971 IonicContact OD1-NH2 2.68Å; D498-R971 PolarHBondContact OD1-NH2 2.74Å; D498-R971 IonicContact OD2-CZ 3.37Å; D498-R971 IonicContact OD2-NE 3.65Å; D498-R971 PolarHBondContact OD2-NE 3.07Å; D498-R971 IonicContact OD2-NH2 3.62Å; D498-R971 PolarHBondContact OD2-NH2 3.33Å
499	R	95.6	Very high	97.8	Very high	82 Å²	82	13.3 Å²	13.3	31%	0.309	6%	0.062	S	C	.	.	S	Bend	trans	-161.2	155.1	176.6	61.3	-172	177.4	115.4	4.7	111.6	D501 H502 D810	R499-D501 PolarHBondContact O-N 2.88Å; R499-H502 PolarHBondContact NH2-CE1 2.55Å; R499-H502 VanDerWaalsContact O-CB 3.25Å; R499-H502 WeakPolarHBondContact O-CB 3.45Å; R499-H502 PolarHBondContact O-N 3.34Å; R499-D810 IonicContact NH2-OD1 2.72Å; R499-D810 PolarHBondContact NH2-OD1 3.26Å
500	E	94.3	Very high	97.8	Very high	101 Å²	101	13.3 Å²	13.3	47%	0.472	6%	0.062	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	-129.8	174.3	-49.9	-54.7	159.8	0	0	112.6	N142 Y316	N142-E500 PolarHBondContact ND2-OE1 3.45Å; N142-E500 PolarHBondContact ND2-OE2 2.96Å; Y316-E500 PolarHBondContact OH-O 3.14Å
501	D	95.3	Very high	97.9	Very high	52 Å²	52	13.8 Å²	13.8	28%	0.278	6%	0.063	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	18.8	175.2	75.4	-31	0	0	0	113.4	R499 Y503 R806 L818 P918 Q920	R499-D501 PolarHBondContact O-N 2.88Å; D501-Y503 VanDerWaalsContact C-N 3.29Å; D501-Y503 WeakPolarHBondContact O-CD2 3.27Å; D501-Y503 PolarHBondContact O-N 3.23Å; D501-R806 VanDerWaalsContact CG-NH1 3.26Å; D501-R806 IonicContact OD1-CZ 2.74Å; D501-R806 IonicContact OD1-NH1 2.74Å; D501-R806 PolarHBondContact OD1-NH1 3.22Å; D501-R806 IonicContact OD1-NH2 3.86Å; D501-R806 PolarHBondContact OD1-NH2 2.91Å; D501-R806 IonicContact OD2-CZ 3.37Å; D501-R806 IonicContact OD2-NH1 3.86Å; D501-R806 PolarHBondContact OD2-NH1 3.44Å; D501-L818 WeakPolarHBondContact O-CD2 3.49Å; D501-P918 HydrophobicContact CB-CG 4.21Å; D501-Q920 PolarHBondContact O-NE2 2.72Å; D501-Q920 PolarHBondContact OD2-NE2 3.23Å
502	H	97.8	Very high	98.1	Very high	3 Å²	3	13.9 Å²	13.9	1%	0.014	6%	0.063	C	C	.	.			trans	-82.7	72	-176.2	-65.6	-164.3	0	0	0	111.4	A497 D498 R499 R806 D810 L816 R971	A497-H502 WeakPolarHBondContact CA-O 3.47Å; D498-H502 WeakPolarHBondContact OD1-CB 3.43Å; R499-H502 PolarHBondContact NH2-CE1 2.55Å; R499-H502 VanDerWaalsContact O-CB 3.25Å; R499-H502 WeakPolarHBondContact O-CB 3.45Å; R499-H502 PolarHBondContact O-N 3.34Å; H502-R806 PolarHBondContact NE2-NH2 3.47Å; H502-D810 IonicContact CE1-OD1 2.73Å; H502-D810 PolarHBondContact CE1-OD1 3.42Å; H502-D810 IonicContact CE1-OD2 3.39Å; H502-D810 IonicContact NE2-OD2 3.63Å; H502-L816 HydrophobicContact CB-CD1 4.02Å; H502-L816 HydrophobicContact CB-CD2 4.11Å; H502-R971 PolarHBondContact ND1-NH2 3.26Å
503	Y	98.6	Very high	98.1	Very high	4 Å²	4	14 Å²	14	2%	0.016	6%	0.064	C	C	.	.	B	Isolated β-bridge	trans	-75.6	132	174.4	-73.3	-96.2	0	0	0	111.3	H315 A495 Y496 A497 D501 T505 F817 L917 P918 Q920 G921	H315-Y503 AromaticContact CD2-CE1 3.74Å; H315-Y503 AromaticContact CD2-CZ 3.92Å; H315-Y503 AromaticContact NE2-CE1 3.93Å; H315-Y503 AromaticContact NE2-CZ 3.59Å; H315-Y503 PolarHBondContact NE2-OH 3.24Å; H315-Y503 VanDerWaalsContact NE2-OH 3.1Å; A495-Y503 HydrophobicContact CB-CD1 3.96Å; Y496-Y503 WeakPolarHBondContact O-CA 3.19Å; A497-Y503 HydrophobicContact CB-CD1 3.97Å; A497-Y503 HydrophobicContact CB-CD2 4.21Å; A497-Y503 HydrophobicContact CB-CE1 4.07Å; A497-Y503 HydrophobicContact CB-CE2 4.26Å; A497-Y503 HydrophobicContact CB-CG 4.06Å; D501-Y503 VanDerWaalsContact C-N 3.29Å; D501-Y503 WeakPolarHBondContact O-CD2 3.27Å; D501-Y503 PolarHBondContact O-N 3.23Å; Y503-T505 PolarHBondContact O-N 2.93Å; Y503-T505 VanDerWaalsContact O-N 3.07Å; Y503-F817 PolarHBondContact O-N 2.95Å; Y503-L917 WeakPolarHBondContact OH-CD2 3.37Å; Y503-P918 HydrophobicContact CD2-CG 3.84Å; Y503-P918 HydrophobicContact CE2-CG 3.44Å; Y503-P918 VanDerWaalsContact CE2-CG 3.44Å; Y503-Q920 HydrophobicContact CD2-CG 3.85Å; Y503-Q920 HydrophobicContact CG-CG 4.12Å; Y503-G921 VanDerWaalsContact CD1-CA 3.42Å
504	W	98.8	Very high	98.1	Very high	7 Å²	7	14.5 Å²	14.5	3%	0.027	7%	0.066	C	C	.	.			trans	-87.8	59.5	179.9	-65.6	52	0	0	0	108.8	F291 Y496 D498 Y507 Y815 L816 R971	F291-W504 HydrophobicContact CB-CE3 3.79Å; F291-W504 HydrophobicContact CB-CZ3 4.38Å; F291-W504 AromaticContact CD1-CE3 3.83Å; F291-W504 HydrophobicContact CD1-CE3 3.83Å; F291-W504 AromaticContact CD1-CZ3 3.53Å; F291-W504 HydrophobicContact CD1-CZ3 3.53Å; F291-W504 HydrophobicContact CD2-CE3 4.07Å; F291-W504 HydrophobicContact CD2-CZ3 4.32Å; F291-W504 AromaticContact CE1-CZ3 3.88Å; F291-W504 HydrophobicContact CE1-CZ3 3.88Å; F291-W504 AromaticContact CG-CE3 3.6Å; F291-W504 HydrophobicContact CG-CE3 3.6Å; F291-W504 AromaticContact CG-CZ3 3.8Å; F291-W504 HydrophobicContact CG-CZ3 3.8Å; F291-W504 HydrophobicContact CZ-CZ3 4.42Å; Y496-W504 HydrophobicContact CD1-CB 3.98Å; Y496-W504 AromaticContact CD1-CD1 3.67Å; Y496-W504 AromaticContact CD1-CD2 3.71Å; Y496-W504 HydrophobicContact CD1-CD2 3.71Å; Y496-W504 AromaticContact CD1-CE2 3.96Å; Y496-W504 HydrophobicContact CD1-CE3 4.28Å; Y496-W504 AromaticContact CD1-CG 3.55Å; Y496-W504 HydrophobicContact CD1-CG 3.55Å; Y496-W504 AromaticContact CD1-NE1 3.96Å; Y496-W504 AromaticContact CE1-CD1 3.85Å; Y496-W504 AromaticContact CE1-CD2 3.66Å; Y496-W504 HydrophobicContact CE1-CD2 3.66Å; Y496-W504 AromaticContact CE1-CE2 3.45Å; Y496-W504 VanDerWaalsContact CE1-CE2 3.45Å; Y496-W504 HydrophobicContact CE1-CE3 4.18Å; Y496-W504 AromaticContact CE1-CG 3.93Å; Y496-W504 HydrophobicContact CE1-CG 3.93Å; Y496-W504 HydrophobicContact CE1-CH2 4.33Å; Y496-W504 AromaticContact CE1-CZ2 3.8Å; Y496-W504 HydrophobicContact CE1-CZ2 3.8Å; Y496-W504 AromaticContact CE1-NE1 3.62Å; Y496-W504 PolarHBondContact O-N 3.08Å; D498-W504 HydrophobicContact CB-CZ2 4.3Å; D498-W504 VanDerWaalsContact CG-NE1 3.35Å; D498-W504 PolarHBondContact OD1-NE1 3.29Å; W504-Y507 HydrophobicContact CB-CD1 4.23Å; W504-Y507 HydrophobicContact CB-CE1 4.21Å; W504-Y507 WeakPolarHBondContact O-CD1 3.1Å; W504-Y507 WeakPolarHBondContact O-CE1 3.45Å; W504-Y815 CarbonylContact C-O 3.58Å; W504-Y815 WeakPolarHBondContact CA-O 3.25Å; W504-Y815 AromaticContact CE3-CD1 3.52Å; W504-Y815 HydrophobicContact CE3-CD1 3.52Å; W504-Y815 HydrophobicContact CE3-CE1 4.46Å; W504-Y815 AromaticContact CE3-CG 3.98Å; W504-Y815 HydrophobicContact CE3-CG 3.98Å; W504-Y815 HydrophobicContact CH2-CD1 4.35Å; W504-Y815 AromaticContact CZ3-CD1 3.33Å; W504-Y815 HydrophobicContact CZ3-CD1 3.33Å; W504-Y815 AromaticContact CZ3-CE1 3.89Å; W504-Y815 HydrophobicContact CZ3-CE1 3.89Å; W504-Y815 AromaticContact CZ3-CG 3.94Å; W504-Y815 HydrophobicContact CZ3-CG 3.94Å; W504-L816 VanDerWaalsContact CD1-CD2 3.49Å; W504-L816 HydrophobicContact CD2-CD2 4.26Å; W504-L816 HydrophobicContact CG-CD2 3.87Å; W504-R971 HydrophobicContact CH2-CB 4.2Å; W504-R971 HydrophobicContact CH2-CG 3.86Å; W504-R971 HydrophobicContact CZ2-CG 3.76Å
505	T	98.9	Very high	98.1	Very high	5 Å²	5	14.5 Å²	14.5	3%	0.031	7%	0.066	C	C	.	.			trans	-105.7	-4.3	-179.8	52.6	0	0	0	0	112.6	A495 Y503 Y508 Q920 F923	A495-T505 HydrophobicContact CB-CG2 3.46Å; A495-T505 VanDerWaalsContact CB-CG2 3.46Å; Y503-T505 PolarHBondContact O-N 2.93Å; Y503-T505 VanDerWaalsContact O-N 3.07Å; T505-Y508 HydrophobicContact CG2-CD2 4.19Å; T505-Y508 HydrophobicContact CG2-CE2 3.5Å; T505-Y508 WeakPolarHBondContact O-CD2 3.19Å; T505-Q920 VanDerWaalsContact CG2-O 3.24Å; T505-Q920 WeakPolarHBondContact CG2-O 3.48Å; T505-Q920 PolarHBondContact OG1-O 3.47Å; T505-F923 HydrophobicContact CG2-CB 4.13Å; T505-F923 WeakPolarHBondContact CG2-O 3.31Å
506	G	98.8	Very high	98.1	Very high	2 Å²	2	15.4 Å²	15.4	2%	0.021	7%	0.072	C	C	.	.	S	Bend	trans	-69.4	-38.6	175.6	0	0	0	0	0	112.8	Y508 T509 S510 Y815 R963	G506-Y508 PolarHBondContact O-N 2.96Å; G506-T509 PolarHBondContact O-N 3.31Å; G506-S510 PolarHBondContact O-N 2.98Å; G506-S510 VanDerWaalsContact O-N 3.07Å; G506-S510 PolarHBondContact O-OG 3.15Å; G506-S510 VanDerWaalsContact O-OG 3.08Å; G506-Y815 WeakPolarHBondContact CA-O 3.27Å; G506-Y815 PolarHBondContact N-O 2.76Å; G506-R963 VanDerWaalsContact CA-CZ 3.49Å; G506-R963 WeakPolarHBondContact O-CD 3.36Å; G506-R963 PolarHBondContact O-NH1 3.11Å
507	Y	98.9	Very high	98	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-17.1	-178.2	85.6	-89.3	0	0	0	113.8	A256 N257 F291 W504 T509 K515 T573 A814 Y815	A256-Y507 HydrophobicContact CB-CE2 3.74Å; A256-Y507 WeakPolarHBondContact CB-OH 3.28Å; N257-Y507 WeakPolarHBondContact ND2-CD2 3.32Å; N257-Y507 WeakPolarHBondContact ND2-CE2 3.47Å; F291-Y507 HydrophobicContact CB-CD1 4.33Å; F291-Y507 HydrophobicContact CB-CE1 3.61Å; F291-Y507 HydrophobicContact CD2-CD1 4.02Å; F291-Y507 HydrophobicContact CD2-CD2 4.09Å; F291-Y507 AromaticContact CD2-CE1 3.98Å; F291-Y507 HydrophobicContact CD2-CE1 3.98Å; F291-Y507 HydrophobicContact CD2-CE2 4.06Å; F291-Y507 HydrophobicContact CD2-CG 4.06Å; F291-Y507 HydrophobicContact CG-CE1 4.32Å; F291-Y507 PolarHBondContact O-OH 3.42Å; W504-Y507 HydrophobicContact CB-CD1 4.23Å; W504-Y507 HydrophobicContact CB-CE1 4.21Å; W504-Y507 WeakPolarHBondContact O-CD1 3.1Å; W504-Y507 WeakPolarHBondContact O-CE1 3.45Å; Y507-T509 PolarHBondContact O-N 3.2Å; Y507-T509 VanDerWaalsContact O-N 3.09Å; Y507-K515 VanDerWaalsContact O-CE 3.29Å; Y507-K515 WeakPolarHBondContact O-CE 3.19Å; Y507-K515 PolarHBondContact O-NZ 3.48Å; Y507-T573 HydrophobicContact CD2-CG2 3.56Å; Y507-T573 HydrophobicContact CE2-CG2 3.75Å; Y507-A814 WeakPolarHBondContact CA-O 3.47Å; Y507-A814 PolarHBondContact N-O 3.26Å; Y507-Y815 PolarHBondContact N-O 3.28Å
508	Y	98.9	Very high	98	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-25.1	169.6	-58	-24.1	0	0	0	111.8	A256 N257 F494 T505 G506 K515 P925 L947	A256-Y508 HydrophobicContact CB-CD1 3.96Å; A256-Y508 HydrophobicContact CB-CE1 3.66Å; N257-Y508 WeakPolarHBondContact OD1-CA 3.4Å; N257-Y508 PolarHBondContact OD1-O 3.39Å; F494-Y508 WeakPolarHBondContact CD1-OH 3.13Å; T505-Y508 HydrophobicContact CG2-CD2 4.19Å; T505-Y508 HydrophobicContact CG2-CE2 3.5Å; T505-Y508 WeakPolarHBondContact O-CD2 3.19Å; G506-Y508 PolarHBondContact O-N 2.96Å; Y508-K515 WeakPolarHBondContact O-CE 3.44Å; Y508-P925 HydrophobicContact CD1-CB 4.03Å; Y508-P925 HydrophobicContact CE1-CB 4.1Å; Y508-P925 HydrophobicContact CE1-CG 4.26Å; Y508-P925 HydrophobicContact CG-CB 4.3Å; Y508-L947 CarbonylContact O-C 3.6Å; Y508-L947 WeakPolarHBondContact O-CA 3.3Å
509	T	98.9	Very high	98	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.012	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.1	-22.4	-178.2	-51.9	0	0	0	0	114.5	G506 Y507 R511 P512 L947 G948 I960	G506-T509 PolarHBondContact O-N 3.31Å; Y507-T509 PolarHBondContact O-N 3.2Å; Y507-T509 VanDerWaalsContact O-N 3.09Å; T509-R511 PolarHBondContact O-N 3.39Å; T509-P512 WeakPolarHBondContact O-CD 3.4Å; T509-L947 HydrophobicContact CG2-CD2 3.87Å; T509-G948 PolarHBondContact OG1-N 3.25Å; T509-I960 HydrophobicContact CG2-CB 4Å; T509-I960 HydrophobicContact CG2-CG2 3.73Å; T509-I960 WeakPolarHBondContact CG2-O 3.19Å
510	S	98.9	Very high	98.1	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.07	C	C	.	.	S	Bend	trans	-46.8	127.7	-176.9	-64.4	0	0	0	0	112.9	G506 K515 A814 R963 L977	G506-S510 PolarHBondContact O-N 2.98Å; G506-S510 VanDerWaalsContact O-N 3.07Å; G506-S510 PolarHBondContact O-OG 3.15Å; G506-S510 VanDerWaalsContact O-OG 3.08Å; S510-K515 PolarHBondContact O-NZ 2.83Å; S510-A814 PolarHBondContact OG-O 3.19Å; S510-R963 PolarHBondContact OG-NH1 3.25Å; S510-L977 WeakPolarHBondContact OG-CD1 3.31Å
511	R	98.7	Very high	98.3	Very high	15 Å²	15	8.9 Å²	8.9	6%	0.057	5%	0.047	C	C	.	.	S	Bend	trans	56.9	57	-178.5	-52.5	171.8	-176.9	-100	-5	113.5	T509 F513 Y514 G574 A576 L977 D979	T509-R511 PolarHBondContact O-N 3.39Å; R511-F513 PolarHBondContact O-N 3.08Å; R511-F513 VanDerWaalsContact O-N 3.15Å; R511-Y514 HydrophobicContact CB-CD2 4.22Å; R511-Y514 PolarHBondContact O-N 3.3Å; R511-Y514 VanDerWaalsContact O-N 3.15Å; R511-G574 VanDerWaalsContact CD-CA 3.49Å; R511-G574 VanDerWaalsContact CD-O 3.24Å; R511-G574 WeakPolarHBondContact CD-O 3.28Å; R511-G574 PolarHBondContact NE-O 3.11Å; R511-A576 PolarHBondContact NH2-O 3.19Å; R511-L977 HydrophobicContact CG-CD2 4.24Å; R511-D979 IonicContact CZ-OD1 3.8Å; R511-D979 IonicContact CZ-OD2 3.37Å; R511-D979 VanDerWaalsContact CZ-OD2 3.26Å; R511-D979 IonicContact NH1-OD1 3.67Å; R511-D979 IonicContact NH1-OD2 3.79Å; R511-D979 PolarHBondContact NH1-OD2 2.97Å; R511-D979 IonicContact NH2-OD1 2.86Å; R511-D979 IonicContact NH2-OD2 3.07Å; R511-D979 PolarHBondContact NH2-OD2 2.79Å
512	P	98.6	Very high	98.4	Very high	2 Å²	2	6.7 Å²	6.7	1%	0.013	4%	0.035	C	C	.	.	H	α-helix	trans	-64.2	-25	-171.8	28.6	-34.9	0	0	0	113.3	T509 Y514 K515 S516 L947 M961 D962 T983	T509-P512 WeakPolarHBondContact O-CD 3.4Å; P512-Y514 VanDerWaalsContact C-N 3.31Å; P512-Y514 PolarHBondContact O-N 2.97Å; P512-K515 PolarHBondContact O-N 2.99Å; P512-S516 PolarHBondContact O-N 3.06Å; P512-L947 HydrophobicContact CB-CD2 4.01Å; P512-M961 WeakPolarHBondContact CG-O 3.34Å; P512-D962 VanDerWaalsContact CD-OD1 3.23Å; P512-D962 WeakPolarHBondContact CD-OD1 3.25Å; P512-D962 HydrophobicContact CG-CB 3.97Å; P512-D962 WeakPolarHBondContact CG-OD1 3.4Å; P512-T983 HydrophobicContact CB-CG2 4.22Å; P512-T983 HydrophobicContact CG-CG2 4.17Å
513	F	98.7	Very high	98.4	Very high	10 Å²	10	7.2 Å²	7.2	4%	0.044	4%	0.039	C	C	.	.	H	α-helix	trans	-52.5	-47.1	173.2	-179	-86.3	0	0	0	112.6	R511 S516 L517 Q632 L635 K981 T983	R511-F513 PolarHBondContact O-N 3.08Å; R511-F513 VanDerWaalsContact O-N 3.15Å; F513-S516 PolarHBondContact O-N 3.36Å; F513-L517 HydrophobicContact CE1-CD2 4.46Å; F513-L517 PolarHBondContact O-N 2.8Å; F513-Q632 WeakPolarHBondContact CE1-O 3.49Å; F513-L635 HydrophobicContact CE2-CD2 4.12Å; F513-K981 HydrophobicContact CB-CB 4.07Å; F513-K981 HydrophobicContact CD2-CB 3.87Å; F513-K981 HydrophobicContact CG-CB 3.92Å; F513-K981 HydrophobicContact CG-CG 4.33Å; F513-T983 HydrophobicContact CB-CG2 4.4Å; F513-T983 WeakPolarHBondContact CB-OG1 3.36Å
514	Y	98.6	Very high	98.4	Very high	9 Å²	9	7.7 Å²	7.7	4%	0.035	4%	0.041	C	C	.	.	H	α-helix	trans	-78.9	-29.7	-176.8	-63.5	-81	0	0	0	112.2	R511 P512 S516 L517 D518 V581 Q632	R511-Y514 HydrophobicContact CB-CD2 4.22Å; R511-Y514 PolarHBondContact O-N 3.3Å; R511-Y514 VanDerWaalsContact O-N 3.15Å; P512-Y514 VanDerWaalsContact C-N 3.31Å; P512-Y514 PolarHBondContact O-N 2.97Å; Y514-S516 VanDerWaalsContact C-N 3.27Å; Y514-S516 PolarHBondContact O-N 3.04Å; Y514-L517 HydrophobicContact CD1-CD2 4.4Å; Y514-L517 PolarHBondContact O-N 2.91Å; Y514-D518 WeakPolarHBondContact O-CB 3.36Å; Y514-D518 PolarHBondContact O-N 2.82Å; Y514-V581 HydrophobicContact CD1-CG1 4.35Å; Y514-V581 HydrophobicContact CD2-CG1 3.55Å; Y514-V581 HydrophobicContact CE1-CG1 4.13Å; Y514-V581 HydrophobicContact CE2-CG1 3.28Å; Y514-V581 HydrophobicContact CG-CG1 4.07Å; Y514-Q632 VanDerWaalsContact CZ-OE1 3.27Å; Y514-Q632 PolarHBondContact OH-NE2 2.96Å; Y514-Q632 VanDerWaalsContact OH-NE2 3.16Å; Y514-Q632 PolarHBondContact OH-OE1 3.5Å
515	K	98.8	Very high	98.4	Very high	1 Å²	1	7.4 Å²	7.4	0%	0.004	4%	0.04	C	C	.	.	H	α-helix	trans	-61.4	-37.1	168.8	-69.2	178.3	163.4	59.5	0	111.8	N257 Y507 Y508 S510 P512 I572 T573 A946	N257-K515 WeakPolarHBondContact OD1-CE 3.19Å; Y507-K515 VanDerWaalsContact O-CE 3.29Å; Y507-K515 WeakPolarHBondContact O-CE 3.19Å; Y507-K515 PolarHBondContact O-NZ 3.48Å; Y508-K515 WeakPolarHBondContact O-CE 3.44Å; S510-K515 PolarHBondContact O-NZ 2.83Å; P512-K515 PolarHBondContact O-N 2.99Å; K515-I572 VanDerWaalsContact CE-O 3.26Å; K515-I572 WeakPolarHBondContact CE-O 3.5Å; K515-I572 HydrophobicContact CG-CG1 4.32Å; K515-I572 VanDerWaalsContact CG-O 3.3Å; K515-I572 WeakPolarHBondContact CG-O 3.23Å; K515-I572 PolarHBondContact NZ-O 3.25Å; K515-T573 PolarHBondContact NZ-O 3.05Å; K515-A946 HydrophobicContact CD-CB 4.25Å; K515-A946 VanDerWaalsContact CD-O 3.31Å; K515-A946 WeakPolarHBondContact CD-O 3.47Å
516	S	97.9	Very high	98.4	Very high	21 Å²	21	7.2 Å²	7.2	15%	0.147	4%	0.039	C	C	.	.	H	α-helix	trans	-70.6	-43.3	172.7	179.3	0	0	0	0	112.1	P512 F513 Y514 D518 R519 V520	P512-S516 PolarHBondContact O-N 3.06Å; F513-S516 PolarHBondContact O-N 3.36Å; Y514-S516 VanDerWaalsContact C-N 3.27Å; Y514-S516 PolarHBondContact O-N 3.04Å; S516-D518 VanDerWaalsContact C-N 3.29Å; S516-D518 PolarHBondContact O-N 3.45Å; S516-R519 PolarHBondContact O-N 2.82Å; S516-V520 WeakPolarHBondContact O-CG2 3.35Å; S516-V520 PolarHBondContact O-N 2.88Å; S516-V520 VanDerWaalsContact O-N 3.13Å
517	L	97.8	Very high	98.4	Very high	3 Å²	3	7.2 Å²	7.2	2%	0.016	4%	0.039	C	C	.	.	H	α-helix	trans	-60.8	-38.7	177.2	-178.4	59.8	0	0	0	112.2	F513 Y514 V520 I521 L588 L592	F513-L517 HydrophobicContact CE1-CD2 4.46Å; F513-L517 PolarHBondContact O-N 2.8Å; Y514-L517 HydrophobicContact CD1-CD2 4.4Å; Y514-L517 PolarHBondContact O-N 2.91Å; L517-V520 PolarHBondContact O-N 2.64Å; L517-I521 HydrophobicContact CD1-CD1 3.89Å; L517-I521 HydrophobicContact CD1-CG1 4.19Å; L517-I521 HydrophobicContact CD2-CD1 4.43Å; L517-I521 HydrophobicContact CG-CD1 3.75Å; L517-I521 HydrophobicContact CG-CG1 4.45Å; L517-I521 VanDerWaalsContact O-CG1 3.27Å; L517-I521 WeakPolarHBondContact O-CG1 3.36Å; L517-I521 PolarHBondContact O-N 2.54Å; L517-L588 HydrophobicContact CD2-CB 4.15Å; L517-L588 HydrophobicContact CD2-CD1 4.28Å; L517-L588 HydrophobicContact CG-CD1 4.48Å; L517-L592 HydrophobicContact CD1-CD2 4.36Å
518	D	98	Very high	98.4	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-54.7	-54	174.2	179.4	59	0	0	0	111.8	Y514 S516 V520 I521 E522 F566 Q567 I572	Y514-D518 WeakPolarHBondContact O-CB 3.36Å; Y514-D518 PolarHBondContact O-N 2.82Å; S516-D518 VanDerWaalsContact C-N 3.29Å; S516-D518 PolarHBondContact O-N 3.45Å; D518-V520 VanDerWaalsContact C-N 3.32Å; D518-V520 PolarHBondContact O-N 2.98Å; D518-I521 CarbonylContact O-C 3.41Å; D518-I521 PolarHBondContact O-N 3.44Å; D518-E522 WeakPolarHBondContact O-CG 3.37Å; D518-E522 PolarHBondContact O-N 2.92Å; D518-E522 VanDerWaalsContact OD2-OE1 3.08Å; D518-F566 HydrophobicContact CB-CD1 3.8Å; D518-F566 HydrophobicContact CB-CE1 3.74Å; D518-F566 WeakPolarHBondContact OD1-CD1 3.49Å; D518-Q567 PolarHBondContact OD1-NE2 3.09Å; D518-I572 WeakPolarHBondContact OD2-CD1 3.14Å
519	R	97.9	Very high	98.3	Very high	15 Å²	15	7.2 Å²	7.2	6%	0.057	4%	0.039	C	C	.	.	H	α-helix	trans	-59.8	-38.7	177.4	-69.9	-66.1	-176.4	-80.7	-15	113.7	N257 S516 I521 E522 S523 S927 A944	N257-R519 PolarHBondContact O-NH2 3Å; S516-R519 PolarHBondContact O-N 2.82Å; R519-I521 VanDerWaalsContact C-N 3.32Å; R519-I521 PolarHBondContact O-N 2.8Å; R519-E522 WeakPolarHBondContact CD-OE1 3.48Å; R519-E522 IonicContact CZ-OE1 3.55Å; R519-E522 IonicContact NE-OE1 3.62Å; R519-E522 IonicContact NH1-OE1 3.71Å; R519-E522 PolarHBondContact NH1-OE1 2.84Å; R519-S523 WeakPolarHBondContact O-CB 3.4Å; R519-S523 PolarHBondContact O-N 3.31Å; R519-S523 VanDerWaalsContact O-N 3.08Å; R519-S927 PolarHBondContact NH2-O 3.45Å; R519-A944 VanDerWaalsContact CB-O 3.23Å; R519-A944 WeakPolarHBondContact CB-O 3.38Å; R519-A944 WeakPolarHBondContact CG-O 3.27Å
520	V	97.6	Very high	98.3	Very high	36 Å²	36	7.1 Å²	7.1	22%	0.218	4%	0.038	C	C	.	.	H	α-helix	trans	-60.1	-45.4	174.1	171.6	0	0	0	0	110.3	S516 L517 D518 S523 H524 L592	S516-V520 WeakPolarHBondContact O-CG2 3.35Å; S516-V520 PolarHBondContact O-N 2.88Å; S516-V520 VanDerWaalsContact O-N 3.13Å; L517-V520 PolarHBondContact O-N 2.64Å; D518-V520 VanDerWaalsContact C-N 3.32Å; D518-V520 PolarHBondContact O-N 2.98Å; V520-S523 PolarHBondContact O-N 3.38Å; V520-H524 PolarHBondContact O-N 3.44Å; V520-H524 VanDerWaalsContact O-N 3.07Å; V520-H524 PolarHBondContact O-ND1 3.13Å; V520-L592 HydrophobicContact CG1-CD1 4.45Å
521	I	97.8	Very high	98.2	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-72.6	-39.9	-177.5	-64.2	167.5	0	0	0	111.3	L517 D518 R519 S523 H524 L525 V563 L588 L592 L595	L517-I521 HydrophobicContact CD1-CD1 3.89Å; L517-I521 HydrophobicContact CD1-CG1 4.19Å; L517-I521 HydrophobicContact CD2-CD1 4.43Å; L517-I521 HydrophobicContact CG-CD1 3.75Å; L517-I521 HydrophobicContact CG-CG1 4.45Å; L517-I521 VanDerWaalsContact O-CG1 3.27Å; L517-I521 WeakPolarHBondContact O-CG1 3.36Å; L517-I521 PolarHBondContact O-N 2.54Å; D518-I521 CarbonylContact O-C 3.41Å; D518-I521 PolarHBondContact O-N 3.44Å; R519-I521 VanDerWaalsContact C-N 3.32Å; R519-I521 PolarHBondContact O-N 2.8Å; I521-S523 VanDerWaalsContact C-N 3.28Å; I521-S523 PolarHBondContact O-N 2.72Å; I521-H524 CarbonylContact O-C 2.98Å; I521-H524 PolarHBondContact O-N 2.84Å; I521-L525 WeakPolarHBondContact O-CB 3.4Å; I521-L525 PolarHBondContact O-N 3.02Å; I521-V563 HydrophobicContact CB-CG2 4.38Å; I521-V563 HydrophobicContact CG2-CG2 3.4Å; I521-V563 VanDerWaalsContact CG2-CG2 3.4Å; I521-L588 HydrophobicContact CD1-CB 3.44Å; I521-L588 VanDerWaalsContact CD1-CB 3.44Å; I521-L588 HydrophobicContact CD1-CD1 4.36Å; I521-L588 HydrophobicContact CD1-CD2 3.75Å; I521-L588 HydrophobicContact CD1-CG 4.02Å; I521-L588 VanDerWaalsContact CD1-O 3.26Å; I521-L588 WeakPolarHBondContact CD1-O 3.23Å; I521-L592 HydrophobicContact CD1-CB 4.36Å; I521-L592 HydrophobicContact CG1-CB 4.04Å; I521-L592 HydrophobicContact CG1-CD1 4.17Å; I521-L592 HydrophobicContact CG1-CD2 4.49Å; I521-L592 HydrophobicContact CG1-CG 4.45Å; I521-L595 HydrophobicContact CG2-CD1 3.86Å
522	E	98.5	Very high	98.2	Very high	6 Å²	6	6.4 Å²	6.4	3%	0.028	4%	0.036	C	C	.	.	H	α-helix	trans	-54	-47.2	172.2	-76.3	-177.6	-108.8	0	0	111.4	H259 F261 A262 D518 R519 H524 L525 R526 V563	H259-E522 IonicContact CG-OE2 2.74Å; H259-E522 IonicContact ND1-OE2 2.81Å; F261-E522 HydrophobicContact CD1-CB 3.89Å; F261-E522 HydrophobicContact CD1-CG 3.99Å; F261-E522 WeakPolarHBondContact CD1-OE2 3.15Å; F261-E522 HydrophobicContact CE1-CB 4.07Å; F261-E522 HydrophobicContact CE1-CG 4.34Å; A262-E522 HydrophobicContact CB-CG 4.04Å; D518-E522 WeakPolarHBondContact O-CG 3.37Å; D518-E522 PolarHBondContact O-N 2.92Å; D518-E522 VanDerWaalsContact OD2-OE1 3.08Å; R519-E522 WeakPolarHBondContact CD-OE1 3.48Å; R519-E522 IonicContact CZ-OE1 3.55Å; R519-E522 IonicContact NE-OE1 3.62Å; R519-E522 IonicContact NH1-OE1 3.71Å; R519-E522 PolarHBondContact NH1-OE1 2.84Å; E522-H524 PolarHBondContact O-N 3.48Å; E522-L525 PolarHBondContact O-N 2.71Å; E522-R526 PolarHBondContact O-N 3.04Å; E522-V563 HydrophobicContact CG-CG1 4.09Å
523	S	97.8	Very high	98.1	Very high	14 Å²	14	6.3 Å²	6.3	10%	0.098	4%	0.035	C	C	.	.	H	α-helix	trans	-62.5	-43	178.3	-165	0	0	0	0	112.3	R519 V520 I521 G527 N1021 H1022	R519-S523 WeakPolarHBondContact O-CB 3.4Å; R519-S523 PolarHBondContact O-N 3.31Å; R519-S523 VanDerWaalsContact O-N 3.08Å; V520-S523 PolarHBondContact O-N 3.38Å; I521-S523 VanDerWaalsContact C-N 3.28Å; I521-S523 PolarHBondContact O-N 2.72Å; S523-G527 PolarHBondContact O-N 2.65Å; S523-N1021 VanDerWaalsContact CB-O 3.23Å; S523-N1021 WeakPolarHBondContact CB-O 3.32Å; S523-N1021 PolarHBondContact OG-O 2.89Å; S523-H1022 WeakPolarHBondContact OG-CA 3.37Å; S523-H1022 PolarHBondContact OG-ND1 2.9Å
524	H	98.6	Very high	97.9	Very high	14 Å²	14	6 Å²	6	7%	0.065	3%	0.034	C	C	.	.	H	α-helix	trans	-67.1	-36.8	174.8	-76.9	73	0	0	0	112.4	V520 I521 E522 G527 A528 L592 L595 K596	V520-H524 PolarHBondContact O-N 3.44Å; V520-H524 VanDerWaalsContact O-N 3.07Å; V520-H524 PolarHBondContact O-ND1 3.13Å; I521-H524 CarbonylContact O-C 2.98Å; I521-H524 PolarHBondContact O-N 2.84Å; E522-H524 PolarHBondContact O-N 3.48Å; H524-G527 PolarHBondContact O-N 3.34Å; H524-A528 WeakPolarHBondContact O-CB 3.35Å; H524-A528 PolarHBondContact O-N 3.04Å; H524-L592 HydrophobicContact CB-CD1 4.01Å; H524-L595 HydrophobicContact CB-CB 4.26Å; H524-L595 HydrophobicContact CB-CD1 3.99Å; H524-K596 WeakPolarHBondContact NE2-CE 3.34Å
525	L	98.8	Very high	97.8	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-64.5	-51.1	177.6	175.1	58.5	0	0	0	109.7	F261 I521 E522 G527 A528 E529 L556 A559 R560 V563 L595	F261-L525 HydrophobicContact CE1-CD2 4.3Å; F261-L525 HydrophobicContact CZ-CD2 4.49Å; F261-L525 HydrophobicContact CZ-CG 4.38Å; I521-L525 WeakPolarHBondContact O-CB 3.4Å; I521-L525 PolarHBondContact O-N 3.02Å; E522-L525 PolarHBondContact O-N 2.71Å; L525-G527 PolarHBondContact O-N 3.16Å; L525-A528 PolarHBondContact O-N 2.98Å; L525-E529 HydrophobicContact CD1-CG 4.03Å; L525-E529 WeakPolarHBondContact O-CB 3.36Å; L525-E529 VanDerWaalsContact O-CG 3.25Å; L525-E529 WeakPolarHBondContact O-CG 3.44Å; L525-E529 PolarHBondContact O-N 2.79Å; L525-L556 HydrophobicContact CD1-CD2 4.45Å; L525-A559 HydrophobicContact CD1-CB 4.1Å; L525-R560 HydrophobicContact CD1-CG 4.08Å; L525-R560 HydrophobicContact CD2-CG 4.28Å; L525-V563 HydrophobicContact CD2-CB 4.36Å; L525-V563 HydrophobicContact CD2-CG2 4.2Å; L525-L595 HydrophobicContact CB-CD1 3.92Å; L525-L595 HydrophobicContact CB-CD2 4.27Å; L525-L595 HydrophobicContact CD1-CD2 3.76Å
526	R	98.3	Very high	97.6	Very high	1 Å²	1	5.6 Å²	5.6	0%	0.004	3%	0.032	C	C	.	.	H	α-helix	trans	-54.5	-49.8	174.1	-179.5	177.7	170.8	-85.5	-2	111.7	F261 E522 A528 E529 I530 P656 E658 L1055 L1056	F261-R526 HydrophobicContact CE2-CB 3.78Å; F261-R526 HydrophobicContact CE2-CG 4.13Å; F261-R526 HydrophobicContact CZ-CB 3.74Å; E522-R526 PolarHBondContact O-N 3.04Å; R526-A528 PolarHBondContact O-N 2.9Å; R526-E529 PolarHBondContact O-N 2.8Å; R526-I530 HydrophobicContact CG-CD1 3.85Å; R526-I530 WeakPolarHBondContact O-CD1 3.14Å; R526-I530 VanDerWaalsContact O-CG1 3.27Å; R526-I530 WeakPolarHBondContact O-CG1 3.2Å; R526-I530 PolarHBondContact O-N 3.03Å; R526-I530 VanDerWaalsContact O-N 3.14Å; R526-P656 PolarHBondContact NH1-O 2.8Å; R526-E658 IonicContact CZ-OE2 3.59Å; R526-E658 IonicContact NH2-OE2 3.73Å; R526-E658 PolarHBondContact NH2-OE2 3.32Å; R526-L1055 VanDerWaalsContact CZ-O 3.24Å; R526-L1055 PolarHBondContact NE-O 3.11Å; R526-L1055 PolarHBondContact NH2-O 2.69Å; R526-L1056 VanDerWaalsContact CD-O 3.28Å; R526-L1056 WeakPolarHBondContact CD-O 3.25Å; R526-L1056 PolarHBondContact NE-O 2.71Å
527	G	98.1	Very high	97.5	Very high	2 Å²	2	4.7 Å²	4.7	2%	0.021	3%	0.026	C	C	.	.	H	α-helix	trans	-62	-43	179.6	0	0	0	0	0	113.2	S523 H524 L525 L531	S523-G527 PolarHBondContact O-N 2.65Å; H524-G527 PolarHBondContact O-N 3.34Å; L525-G527 PolarHBondContact O-N 3.16Å; G527-L531 VanDerWaalsContact O-CB 3.31Å; G527-L531 WeakPolarHBondContact O-CB 3.22Å; G527-L531 PolarHBondContact O-N 2.84Å
528	A	98.5	Very high	97.3	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-66.2	-43.4	178.1	0	0	0	0	0	112.1	H524 L525 R526 L531 Y532 L556 L595 V598 I599	H524-A528 WeakPolarHBondContact O-CB 3.35Å; H524-A528 PolarHBondContact O-N 3.04Å; L525-A528 PolarHBondContact O-N 2.98Å; R526-A528 PolarHBondContact O-N 2.9Å; A528-L531 PolarHBondContact O-N 3.31Å; A528-Y532 WeakPolarHBondContact O-CB 3.43Å; A528-Y532 PolarHBondContact O-N 2.83Å; A528-L556 HydrophobicContact CB-CD2 3.8Å; A528-L595 HydrophobicContact CB-CB 4.46Å; A528-L595 HydrophobicContact CB-CD2 3.78Å; A528-V598 HydrophobicContact CB-CB 4.32Å; A528-V598 HydrophobicContact CB-CG1 4.26Å; A528-I599 HydrophobicContact CB-CD1 4.17Å; A528-I599 HydrophobicContact CB-CG1 3.76Å
529	E	98.2	Very high	97.1	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-57.8	-50.4	176.5	-76.1	-67.4	163.1	0	0	112	L525 R526 S533 L556 R560 N1057 L1058 R1059 S1060	L525-E529 HydrophobicContact CD1-CG 4.03Å; L525-E529 WeakPolarHBondContact O-CB 3.36Å; L525-E529 VanDerWaalsContact O-CG 3.25Å; L525-E529 WeakPolarHBondContact O-CG 3.44Å; L525-E529 PolarHBondContact O-N 2.79Å; R526-E529 PolarHBondContact O-N 2.8Å; E529-S533 VanDerWaalsContact O-CB 3.26Å; E529-S533 WeakPolarHBondContact O-CB 3.31Å; E529-S533 PolarHBondContact O-N 3.15Å; E529-S533 PolarHBondContact O-OG 3.15Å; E529-L556 HydrophobicContact CG-CD2 4.39Å; E529-R560 IonicContact OE1-CZ 3.74Å; E529-R560 IonicContact OE1-NE 2.76Å; E529-R560 PolarHBondContact OE1-NE 2.81Å; E529-R560 IonicContact OE1-NH2 3.41Å; E529-R560 PolarHBondContact OE1-NH2 2.87Å; E529-R560 IonicContact OE2-CZ 3.85Å; E529-R560 IonicContact OE2-NH2 2.8Å; E529-R560 PolarHBondContact OE2-NH2 3.12Å; E529-N1057 VanDerWaalsContact CB-OD1 3.27Å; E529-N1057 WeakPolarHBondContact CB-OD1 3.32Å; E529-L1058 CarbonylContact C-O 3.54Å; E529-R1059 HydrophobicContact CB-CB 4.15Å; E529-R1059 HydrophobicContact CG-CB 4.05Å; E529-R1059 WeakPolarHBondContact OE2-CA 3.14Å; E529-R1059 WeakPolarHBondContact OE2-CB 3.25Å; E529-S1060 PolarHBondContact OE2-N 3.06Å
530	I	97.9	Very high	96.8	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-61.2	-51.3	180	-66.4	165.3	0	0	0	109.6	R526 S533 L534 L714 L1055 L1058	R526-I530 HydrophobicContact CG-CD1 3.85Å; R526-I530 WeakPolarHBondContact O-CD1 3.14Å; R526-I530 VanDerWaalsContact O-CG1 3.27Å; R526-I530 WeakPolarHBondContact O-CG1 3.2Å; R526-I530 PolarHBondContact O-N 3.03Å; R526-I530 VanDerWaalsContact O-N 3.14Å; I530-S533 PolarHBondContact O-N 3.23Å; I530-L534 HydrophobicContact CG2-CD1 3.91Å; I530-L534 WeakPolarHBondContact O-CB 3.34Å; I530-L534 VanDerWaalsContact O-CG 3.29Å; I530-L534 WeakPolarHBondContact O-CG 3.42Å; I530-L534 PolarHBondContact O-N 3.46Å; I530-L714 HydrophobicContact CD1-CD2 4.33Å; I530-L714 HydrophobicContact CG2-CD1 4.29Å; I530-L714 HydrophobicContact CG2-CD2 4.33Å; I530-L1055 HydrophobicContact CD1-CD2 4.05Å; I530-L1055 HydrophobicContact CD1-CG 4.48Å; I530-L1055 HydrophobicContact CG1-CD2 4.44Å; I530-L1058 WeakPolarHBondContact CA-O 3.25Å; I530-L1058 HydrophobicContact CB-CB 4.43Å; I530-L1058 HydrophobicContact CG1-CB 3.89Å; I530-L1058 PolarHBondContact N-O 3.3Å
531	L	97.5	Very high	96.6	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-68.5	-39.5	-174.5	-159.4	65.2	0	0	0	112.1	G527 A528 A535 I599 A602 A603 L606 F654 L716	G527-L531 VanDerWaalsContact O-CB 3.31Å; G527-L531 WeakPolarHBondContact O-CB 3.22Å; G527-L531 PolarHBondContact O-N 2.84Å; A528-L531 PolarHBondContact O-N 3.31Å; L531-A535 VanDerWaalsContact O-CB 3.27Å; L531-A535 WeakPolarHBondContact O-CB 3.36Å; L531-A535 PolarHBondContact O-N 3Å; L531-I599 HydrophobicContact CD2-CG2 4.16Å; L531-A602 HydrophobicContact CB-CB 4.25Å; L531-A602 HydrophobicContact CD2-CB 4.03Å; L531-A602 HydrophobicContact CG-CB 3.79Å; L531-A603 HydrophobicContact CD2-CB 4.12Å; L531-L606 HydrophobicContact CD1-CD1 3.46Å; L531-L606 VanDerWaalsContact CD1-CD1 3.46Å; L531-L606 HydrophobicContact CG-CD1 3.89Å; L531-F654 HydrophobicContact CB-CZ 4.29Å; L531-F654 HydrophobicContact CD1-CD2 4.39Å; L531-F654 HydrophobicContact CD1-CE2 3.9Å; L531-F654 HydrophobicContact CD1-CZ 4.33Å; L531-F654 HydrophobicContact CD2-CE2 4.44Å; L531-F654 HydrophobicContact CD2-CZ 4.43Å; L531-L716 HydrophobicContact CD1-CD1 4.08Å; L531-L716 HydrophobicContact CD1-CG 4.37Å; L531-L716 HydrophobicContact CD2-CD1 4.47Å; L531-L716 HydrophobicContact CD2-CD2 4.39Å
532	Y	97.7	Very high	96.3	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-61.6	-48.8	173.8	179.2	-91.5	0	0	0	111.2	A528 L534 A535 V536 Y548 V550 D552 Y553 L556 V598 P1070	A528-Y532 WeakPolarHBondContact O-CB 3.43Å; A528-Y532 PolarHBondContact O-N 2.83Å; Y532-L534 VanDerWaalsContact C-N 3.32Å; Y532-L534 PolarHBondContact O-N 3.25Å; Y532-A535 PolarHBondContact O-N 2.9Å; Y532-A535 VanDerWaalsContact O-N 3.16Å; Y532-V536 HydrophobicContact CD1-CG2 4.02Å; Y532-V536 HydrophobicContact CD2-CG2 4.46Å; Y532-V536 HydrophobicContact CE1-CG2 3.55Å; Y532-V536 HydrophobicContact CE2-CG2 4.08Å; Y532-V536 HydrophobicContact CG-CG2 4.44Å; Y532-V536 WeakPolarHBondContact O-CG2 3.42Å; Y532-V536 PolarHBondContact O-N 2.95Å; Y532-Y548 HydrophobicContact CD2-CE1 4.16Å; Y532-Y548 WeakPolarHBondContact CD2-OH 3.39Å; Y532-Y548 AromaticContact CE2-CE1 3.77Å; Y532-Y548 HydrophobicContact CE2-CE1 3.77Å; Y532-V550 PolarHBondContact OH-O 3.44Å; Y532-D552 HydrophobicContact CD2-CB 4.47Å; Y532-D552 HydrophobicContact CE2-CB 4.07Å; Y532-Y553 AromaticContact CE1-CD2 4Å; Y532-Y553 HydrophobicContact CE1-CD2 4Å; Y532-Y553 WeakPolarHBondContact OH-CB 3.2Å; Y532-L556 HydrophobicContact CD1-CD1 3.68Å; Y532-L556 HydrophobicContact CD2-CD1 4.23Å; Y532-L556 HydrophobicContact CE1-CD1 4.25Å; Y532-L556 HydrophobicContact CG-CD1 3.68Å; Y532-V598 HydrophobicContact CD2-CG1 3.8Å; Y532-V598 HydrophobicContact CG-CG1 4.19Å; Y532-P1070 HydrophobicContact CE1-CB 4.47Å; Y532-P1070 WeakPolarHBondContact OH-CG 3.37Å
533	S	96.6	Very high	95.9	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.007	10%	0.101	C	C	.	.	H	α-helix	trans	-62.1	-40.5	-179.3	-60.6	0	0	0	0	111.8	E529 I530 A537 L1058 S1060	E529-S533 VanDerWaalsContact O-CB 3.26Å; E529-S533 WeakPolarHBondContact O-CB 3.31Å; E529-S533 PolarHBondContact O-N 3.15Å; E529-S533 PolarHBondContact O-OG 3.15Å; I530-S533 PolarHBondContact O-N 3.23Å; S533-A537 WeakPolarHBondContact O-CB 3.33Å; S533-A537 PolarHBondContact O-N 2.86Å; S533-L1058 PolarHBondContact OG-O 2.74Å; S533-L1058 VanDerWaalsContact OG-O 3.04Å; S533-S1060 PolarHBondContact OG-N 3.34Å; S533-S1060 PolarHBondContact OG-OG 3.47Å
534	L	95.8	Very high	95.6	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.01	10%	0.101	C	C	.	.	H	α-helix	trans	-66.5	-41.3	173.9	-69.6	172.4	0	0	0	112.3	I530 Y532 A537 N538 F1042 P1044 L1058 F1109	I530-L534 HydrophobicContact CG2-CD1 3.91Å; I530-L534 WeakPolarHBondContact O-CB 3.34Å; I530-L534 VanDerWaalsContact O-CG 3.29Å; I530-L534 WeakPolarHBondContact O-CG 3.42Å; I530-L534 PolarHBondContact O-N 3.46Å; Y532-L534 VanDerWaalsContact C-N 3.32Å; Y532-L534 PolarHBondContact O-N 3.25Å; L534-A537 PolarHBondContact O-N 3.27Å; L534-N538 WeakPolarHBondContact O-CB 3.41Å; L534-N538 PolarHBondContact O-N 3.41Å; L534-N538 PolarHBondContact O-ND2 3.39Å; L534-F1042 HydrophobicContact CD1-CE1 4.39Å; L534-P1044 HydrophobicContact CD1-CB 3.82Å; L534-P1044 HydrophobicContact CD1-CG 4.06Å; L534-P1044 HydrophobicContact CD2-CB 4.3Å; L534-L1058 HydrophobicContact CD2-CD2 4.04Å; L534-L1058 HydrophobicContact CG-CD2 4.08Å; L534-F1109 HydrophobicContact CD2-CD1 3.72Å; L534-F1109 HydrophobicContact CD2-CE1 3.8Å
535	A	95.9	Very high	95	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-64.6	-45.3	177.9	0	0	0	0	0	111.9	L531 Y532 N538 A539 Y548 A602 F605 L606	L531-A535 VanDerWaalsContact O-CB 3.27Å; L531-A535 WeakPolarHBondContact O-CB 3.36Å; L531-A535 PolarHBondContact O-N 3Å; Y532-A535 PolarHBondContact O-N 2.9Å; Y532-A535 VanDerWaalsContact O-N 3.16Å; A535-N538 PolarHBondContact O-N 2.89Å; A535-A539 VanDerWaalsContact O-CB 3.31Å; A535-A539 WeakPolarHBondContact O-CB 3.11Å; A535-A539 PolarHBondContact O-N 3.28Å; A535-Y548 HydrophobicContact CB-CE2 3.7Å; A535-A602 HydrophobicContact CB-CB 3.9Å; A535-F605 HydrophobicContact CB-CD1 4.25Å; A535-L606 HydrophobicContact CB-CD1 4.09Å; A535-L606 HydrophobicContact CB-CD2 4.27Å; A535-L606 HydrophobicContact CB-CG 4.03Å
536	V	95.1	Very high	94.4	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.012	16%	0.158	C	C	.	.	H	α-helix	trans	-61.5	-44.7	175.5	170.6	0	0	0	0	111	Y532 A539 R540 Y548	Y532-V536 HydrophobicContact CD1-CG2 4.02Å; Y532-V536 HydrophobicContact CD2-CG2 4.46Å; Y532-V536 HydrophobicContact CE1-CG2 3.55Å; Y532-V536 HydrophobicContact CE2-CG2 4.08Å; Y532-V536 HydrophobicContact CG-CG2 4.44Å; Y532-V536 WeakPolarHBondContact O-CG2 3.42Å; Y532-V536 PolarHBondContact O-N 2.95Å; V536-A539 PolarHBondContact O-N 3.46Å; V536-R540 WeakPolarHBondContact O-CG 3.39Å; V536-R540 PolarHBondContact O-N 2.95Å; V536-Y548 HydrophobicContact CG2-CD1 3.95Å; V536-Y548 HydrophobicContact CG2-CE1 3.49Å; V536-Y548 VanDerWaalsContact CG2-CE1 3.49Å
537	A	94.6	Very high	93.9	Very high	2 Å²	2	29 Å²	29	2%	0.017	18%	0.181	C	C	.	.	H	α-helix	trans	-61.5	-45.8	177.2	0	0	0	0	0	111.9	S533 L534 A539 R540 H541 V1112 L1151	S533-A537 WeakPolarHBondContact O-CB 3.33Å; S533-A537 PolarHBondContact O-N 2.86Å; L534-A537 PolarHBondContact O-N 3.27Å; A537-A539 VanDerWaalsContact C-N 3.34Å; A537-A539 PolarHBondContact O-N 3.27Å; A537-R540 PolarHBondContact O-N 3.09Å; A537-H541 PolarHBondContact O-N 2.86Å; A537-V1112 HydrophobicContact CB-CG1 3.93Å; A537-V1112 HydrophobicContact CB-CG2 4.28Å; A537-L1151 HydrophobicContact CB-CB 3.97Å; A537-L1151 HydrophobicContact CB-CD1 4.43Å
538	N	94.4	Very high	93.7	Very high	22 Å²	22	29.4 Å²	29.4	12%	0.118	18%	0.182	C	C	.	.	H	α-helix	trans	-65.5	-35	176	-82.9	-98.3	0	0	0	112.5	L534 A535 H541 A542 F605 L606	L534-N538 WeakPolarHBondContact O-CB 3.41Å; L534-N538 PolarHBondContact O-N 3.41Å; L534-N538 PolarHBondContact O-ND2 3.39Å; A535-N538 PolarHBondContact O-N 2.89Å; N538-H541 PolarHBondContact O-N 3.5Å; N538-A542 WeakPolarHBondContact O-CB 3.43Å; N538-A542 PolarHBondContact O-N 2.92Å; N538-F605 HydrophobicContact CB-CE1 4.02Å; N538-L606 HydrophobicContact CB-CD2 4.22Å
539	A	93.9	Very high	93.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-66.3	-40.2	175.7	0	0	0	0	0	111.8	A535 V536 A537 G543 M544 E545 Y548 F605	A535-A539 VanDerWaalsContact O-CB 3.31Å; A535-A539 WeakPolarHBondContact O-CB 3.11Å; A535-A539 PolarHBondContact O-N 3.28Å; V536-A539 PolarHBondContact O-N 3.46Å; A537-A539 VanDerWaalsContact C-N 3.34Å; A537-A539 PolarHBondContact O-N 3.27Å; A539-G543 PolarHBondContact O-N 2.8Å; A539-M544 PolarHBondContact O-N 3.07Å; A539-E545 PolarHBondContact O-N 2.96Å; A539-Y548 HydrophobicContact CB-CG 4.3Å; A539-F605 HydrophobicContact CB-CE1 3.93Å; A539-F605 HydrophobicContact CB-CE2 4.29Å; A539-F605 HydrophobicContact CB-CZ 3.68Å
540	R	92.3	Very high	92.9	Very high	42 Å²	42	31.9 Å²	31.9	16%	0.158	20%	0.197	C	C	.	.	H	α-helix	trans	-64	-45.6	172.9	-73.6	172.7	-178.1	152.3	3.3	111.7	V536 A537 A542 G543 E545 S1071	V536-R540 WeakPolarHBondContact O-CG 3.39Å; V536-R540 PolarHBondContact O-N 2.95Å; A537-R540 PolarHBondContact O-N 3.09Å; R540-A542 VanDerWaalsContact C-N 3.28Å; R540-A542 PolarHBondContact O-N 3.38Å; R540-G543 PolarHBondContact O-N 2.89Å; R540-E545 HydrophobicContact CG-CB 4.31Å; R540-E545 HydrophobicContact CG-CG 4.23Å; R540-E545 IonicContact CZ-OE1 3.71Å; R540-E545 IonicContact NE-OE1 2.84Å; R540-E545 PolarHBondContact NE-OE1 3.26Å; R540-E545 IonicContact NE-OE2 2.77Å; R540-E545 IonicContact NH2-OE1 3.72Å; R540-E545 PolarHBondContact NH2-OE1 3.34Å; R540-S1071 PolarHBondContact NH2-O 3.06Å; R540-S1071 VanDerWaalsContact NH2-O 3.12Å
541	H	91.9	Very high	92.5	Very high	92 Å²	92	36.4 Å²	36.4	43%	0.426	23%	0.225	S	C	.	.	H	α-helix	trans	-57.7	-43.2	178.4	-164.7	77	0	0	0	111.7	A537 N538 G543 N1111 D1113 R1152	A537-H541 PolarHBondContact O-N 2.86Å; N538-H541 PolarHBondContact O-N 3.5Å; H541-G543 VanDerWaalsContact C-N 3.29Å; H541-G543 PolarHBondContact O-N 2.92Å; H541-N1111 PolarHBondContact CD2-O 3.49Å; H541-D1113 IonicContact CE1-OD2 2.86Å; H541-R1152 WeakPolarHBondContact CA-OXT 3.43Å; H541-R1152 WeakPolarHBondContact CB-OXT 3.5Å; H541-R1152 PolarHBondContact N-OXT 3.15Å; H541-R1152 PolarHBondContact ND1-O 2.81Å; H541-R1152 PolarHBondContact ND1-OXT 3.14Å
542	A	91.6	Very high	92.3	Very high	53 Å²	53	36.7 Å²	36.7	44%	0.438	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	0.3	178.5	0	0	0	0	0	114.5	N538 R540 M544	N538-A542 WeakPolarHBondContact O-CB 3.43Å; N538-A542 PolarHBondContact O-N 2.92Å; R540-A542 VanDerWaalsContact C-N 3.28Å; R540-A542 PolarHBondContact O-N 3.38Å; A542-M544 VanDerWaalsContact C-N 3.29Å; A542-M544 HydrophobicContact CB-CE 3.46Å; A542-M544 VanDerWaalsContact CB-CE 3.46Å; A542-M544 HydrophobicContact CB-CG 4.23Å; A542-M544 PolarHBondContact O-N 2.87Å
543	G	90.8	Very high	92.3	Very high	72 Å²	72	36.7 Å²	36.7	74%	0.742	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.3	26.1	-177	0	0	0	0	0	114.4	A539 R540 H541	A539-G543 PolarHBondContact O-N 2.8Å; R540-G543 PolarHBondContact O-N 2.89Å; H541-G543 VanDerWaalsContact C-N 3.29Å; H541-G543 PolarHBondContact O-N 2.92Å
544	M	90.8	Very high	92.2	Very high	20 Å²	20	37.6 Å²	37.6	10%	0.099	23%	0.234	C	C	.	.			trans	-115.2	18.6	-175.9	-60.5	-170	-70.9	0	0	113.9	A539 A542 G546 R547 Y548 F605 K611	A539-M544 PolarHBondContact O-N 3.07Å; A542-M544 VanDerWaalsContact C-N 3.29Å; A542-M544 HydrophobicContact CB-CE 3.46Å; A542-M544 VanDerWaalsContact CB-CE 3.46Å; A542-M544 HydrophobicContact CB-CG 4.23Å; A542-M544 PolarHBondContact O-N 2.87Å; M544-G546 PolarHBondContact O-N 2.91Å; M544-R547 PolarHBondContact O-N 3.19Å; M544-Y548 PolarHBondContact O-N 2.77Å; M544-F605 HydrophobicContact CE-CE2 3.55Å; M544-F605 HydrophobicContact CE-CZ 3.56Å; M544-K611 HydrophobicContact CE-CB 3.22Å; M544-K611 HydrophobicContact CE-CD 4.12Å; M544-K611 HydrophobicContact CE-CG 3.5Å; M544-K611 VanDerWaalsContact CE-CG 3.5Å; M544-K611 HydrophobicContact SD-CB 3.59Å; M544-K611 VanDerWaalsContact SD-CB 3.59Å
545	E	85.6	Confident	92.3	Very high	82 Å²	82	39.6 Å²	39.6	38%	0.383	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-52.8	-39.6	179.9	-171.1	170.5	-151.6	0	0	112	A539 R540 R547 Y548 V550	A539-E545 PolarHBondContact O-N 2.96Å; R540-E545 HydrophobicContact CG-CB 4.31Å; R540-E545 HydrophobicContact CG-CG 4.23Å; R540-E545 IonicContact CZ-OE1 3.71Å; R540-E545 IonicContact NE-OE1 2.84Å; R540-E545 PolarHBondContact NE-OE1 3.26Å; R540-E545 IonicContact NE-OE2 2.77Å; R540-E545 IonicContact NH2-OE1 3.72Å; R540-E545 PolarHBondContact NH2-OE1 3.34Å; E545-R547 PolarHBondContact O-N 3.37Å; E545-R547 VanDerWaalsContact O-N 3.15Å; E545-Y548 PolarHBondContact O-N 2.94Å; E545-V550 HydrophobicContact CG-CG1 4.38Å
546	G	86.4	Confident	92.4	Very high	85 Å²	85	39.6 Å²	39.6	88%	0.876	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-69.3	-5.4	176.2	0	0	0	0	0	116	M544	M544-G546 PolarHBondContact O-N 2.91Å
547	R	89.4	Confident	92.5	Very high	133 Å²	133	40 Å²	40	50%	0.502	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-106	-17.3	174.6	-63.7	-173.9	-178.5	179.7	3.2	113.1	M544 E545 Y614	M544-R547 PolarHBondContact O-N 3.19Å; E545-R547 PolarHBondContact O-N 3.37Å; E545-R547 VanDerWaalsContact O-N 3.15Å; R547-Y614 WeakPolarHBondContact O-CE1 3.31Å
548	Y	92.4	Very high	92.6	Very high	9 Å²	9	44.2 Å²	44.2	4%	0.035	27%	0.269	C	S	.	.	S	Bend	trans	-85.3	141.4	178.6	-179.7	-97.6	0	0	0	110.3	Y532 A535 V536 A539 M544 E545 V550 F605	Y532-Y548 HydrophobicContact CD2-CE1 4.16Å; Y532-Y548 WeakPolarHBondContact CD2-OH 3.39Å; Y532-Y548 AromaticContact CE2-CE1 3.77Å; Y532-Y548 HydrophobicContact CE2-CE1 3.77Å; A535-Y548 HydrophobicContact CB-CE2 3.7Å; V536-Y548 HydrophobicContact CG2-CD1 3.95Å; V536-Y548 HydrophobicContact CG2-CE1 3.49Å; V536-Y548 VanDerWaalsContact CG2-CE1 3.49Å; A539-Y548 HydrophobicContact CB-CG 4.3Å; M544-Y548 PolarHBondContact O-N 2.77Å; E545-Y548 PolarHBondContact O-N 2.94Å; Y548-V550 VanDerWaalsContact C-N 3.28Å; Y548-V550 HydrophobicContact CD1-CG1 4.13Å; Y548-V550 PolarHBondContact O-N 3.35Å; Y548-F605 HydrophobicContact CD2-CB 3.89Å; Y548-F605 HydrophobicContact CD2-CD1 4.27Å; Y548-F605 HydrophobicContact CD2-CD2 4.09Å; Y548-F605 AromaticContact CD2-CG 3.81Å; Y548-F605 HydrophobicContact CD2-CG 3.81Å; Y548-F605 HydrophobicContact CE2-CB 3.92Å; Y548-F605 HydrophobicContact CE2-CG 4.22Å
549	P	91.6	Very high	92.8	Very high	7 Å²	7	43.2 Å²	43.2	5%	0.045	26%	0.264	C	S	.	.			trans	-72.8	75.8	-179.6	31.6	-39	0	0	0	112.6	T551 D552 N601 Y614 F616	P549-T551 PolarHBondContact O-N 2.98Å; P549-T551 VanDerWaalsContact O-N 3.12Å; P549-D552 WeakPolarHBondContact O-CB 3.25Å; P549-D552 PolarHBondContact O-N 3.23Å; P549-N601 HydrophobicContact CG-CB 4.19Å; P549-Y614 WeakPolarHBondContact CD-OH 3.24Å; P549-F616 HydrophobicContact CB-CD1 3.91Å; P549-F616 HydrophobicContact CB-CD2 3.96Å; P549-F616 HydrophobicContact CB-CE1 3.64Å; P549-F616 HydrophobicContact CB-CE2 3.7Å; P549-F616 HydrophobicContact CB-CG 4.05Å; P549-F616 HydrophobicContact CB-CZ 3.52Å; P549-F616 HydrophobicContact CG-CD1 4.48Å; P549-F616 HydrophobicContact CG-CD2 3.7Å; P549-F616 HydrophobicContact CG-CE1 4.45Å; P549-F616 HydrophobicContact CG-CE2 3.67Å; P549-F616 HydrophobicContact CG-CG 4.11Å; P549-F616 HydrophobicContact CG-CZ 4.05Å
550	V	88.9	Confident	93	Very high	45 Å²	45	43.3 Å²	43.3	27%	0.273	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-59.9	-24.1	176.2	-65.2	0	0	0	0	112.8	Y532 E545 Y548 D552 Y553	Y532-V550 PolarHBondContact OH-O 3.44Å; E545-V550 HydrophobicContact CG-CG1 4.38Å; Y548-V550 VanDerWaalsContact C-N 3.28Å; Y548-V550 HydrophobicContact CD1-CG1 4.13Å; Y548-V550 PolarHBondContact O-N 3.35Å; V550-D552 PolarHBondContact O-N 3.4Å; V550-D552 VanDerWaalsContact O-N 3.15Å; V550-Y553 VanDerWaalsContact O-CB 3.27Å; V550-Y553 WeakPolarHBondContact O-CB 3.28Å; V550-Y553 PolarHBondContact O-N 3.17Å
551	T	89.1	Confident	93.3	Very high	95 Å²	95	43.5 Å²	43.5	58%	0.583	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-59.3	-20.5	174.4	54.3	0	0	0	0	113.9	P549 Y553 A554	P549-T551 PolarHBondContact O-N 2.98Å; P549-T551 VanDerWaalsContact O-N 3.12Å; T551-Y553 PolarHBondContact O-N 2.81Å; T551-Y553 VanDerWaalsContact O-N 3.12Å; T551-A554 PolarHBondContact O-N 2.89Å
552	D	94.4	Very high	93.6	Very high	6 Å²	6	40.2 Å²	40.2	3%	0.032	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-62.7	-14.8	173.8	-77.9	-5.8	0	0	0	112.3	Y532 P549 V550 A554 L555 L556 V598 N601	Y532-D552 HydrophobicContact CD2-CB 4.47Å; Y532-D552 HydrophobicContact CE2-CB 4.07Å; P549-D552 WeakPolarHBondContact O-CB 3.25Å; P549-D552 PolarHBondContact O-N 3.23Å; V550-D552 PolarHBondContact O-N 3.4Å; V550-D552 VanDerWaalsContact O-N 3.15Å; D552-A554 VanDerWaalsContact C-N 3.28Å; D552-A554 PolarHBondContact O-N 3.45Å; D552-L555 WeakPolarHBondContact O-CB 3.39Å; D552-L555 PolarHBondContact O-N 3.13Å; D552-L555 VanDerWaalsContact O-N 3.15Å; D552-L556 PolarHBondContact O-N 3Å; D552-V598 HydrophobicContact CB-CG2 4.09Å; D552-N601 WeakPolarHBondContact OD2-CB 3.44Å; D552-N601 PolarHBondContact OD2-ND2 3.07Å
553	Y	96	Very high	93.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58.6	-36.5	173.6	-174.3	-100.9	0	0	0	113.2	Y532 V550 T551 L555 L556 V557 R560 Q1062 E1068 P1070	Y532-Y553 AromaticContact CE1-CD2 4Å; Y532-Y553 HydrophobicContact CE1-CD2 4Å; Y532-Y553 WeakPolarHBondContact OH-CB 3.2Å; V550-Y553 VanDerWaalsContact O-CB 3.27Å; V550-Y553 WeakPolarHBondContact O-CB 3.28Å; V550-Y553 PolarHBondContact O-N 3.17Å; T551-Y553 PolarHBondContact O-N 2.81Å; T551-Y553 VanDerWaalsContact O-N 3.12Å; Y553-L555 PolarHBondContact O-N 3.49Å; Y553-L556 HydrophobicContact CD2-CD1 4.42Å; Y553-L556 WeakPolarHBondContact O-CB 3.49Å; Y553-L556 PolarHBondContact O-N 3.43Å; Y553-V557 HydrophobicContact CD1-CG2 3.89Å; Y553-V557 HydrophobicContact CE1-CG2 3.42Å; Y553-V557 VanDerWaalsContact CE1-CG2 3.42Å; Y553-V557 PolarHBondContact O-N 3.39Å; Y553-R560 PolarHBondContact OH-NH1 3.45Å; Y553-Q1062 HydrophobicContact CE1-CB 4.39Å; Y553-Q1062 HydrophobicContact CE1-CG 4.05Å; Y553-Q1062 WeakPolarHBondContact OH-CA 3.38Å; Y553-Q1062 VanDerWaalsContact OH-CB 3.25Å; Y553-Q1062 WeakPolarHBondContact OH-CB 3.35Å; Y553-Q1062 PolarHBondContact OH-N 3.4Å; Y553-E1068 WeakPolarHBondContact CD1-O 3.47Å; Y553-P1070 HydrophobicContact CD2-CB 3.76Å; Y553-P1070 HydrophobicContact CD2-CG 4.4Å; Y553-P1070 HydrophobicContact CE2-CB 4.04Å; Y553-P1070 HydrophobicContact CG-CB 4.16Å; Y553-P1070 HydrophobicContact CG-CG 4.43Å
554	A	95.9	Very high	94.3	Very high	20 Å²	20	34.4 Å²	34.4	17%	0.165	20%	0.197	C	C	.	.	H	α-helix	trans	-59.9	-36.2	177.2	0	0	0	0	0	111.7	T551 D552 L556 V557 D558 E1068	T551-A554 PolarHBondContact O-N 2.89Å; D552-A554 VanDerWaalsContact C-N 3.28Å; D552-A554 PolarHBondContact O-N 3.45Å; A554-L556 VanDerWaalsContact C-N 3.31Å; A554-L556 PolarHBondContact O-N 2.87Å; A554-V557 PolarHBondContact O-N 2.91Å; A554-D558 PolarHBondContact O-N 3.45Å; A554-E1068 HydrophobicContact CB-CB 4.23Å; A554-E1068 HydrophobicContact CB-CG 4.23Å
555	L	97.3	Very high	94.7	Very high	45 Å²	45	33.8 Å²	33.8	24%	0.236	19%	0.194	C	C	.	.	H	α-helix	trans	-66.1	-33	176.2	-59.1	172.4	0	0	0	112.2	D552 Y553 A559 R597 V598	D552-L555 WeakPolarHBondContact O-CB 3.39Å; D552-L555 PolarHBondContact O-N 3.13Å; D552-L555 VanDerWaalsContact O-N 3.15Å; Y553-L555 PolarHBondContact O-N 3.49Å; L555-A559 VanDerWaalsContact O-CB 3.31Å; L555-A559 WeakPolarHBondContact O-CB 3.34Å; L555-A559 PolarHBondContact O-N 2.96Å; L555-R597 HydrophobicContact CD1-CB 4.39Å; L555-R597 HydrophobicContact CD1-CG 4.31Å; L555-V598 HydrophobicContact CB-CG2 3.88Å; L555-V598 HydrophobicContact CD1-CG2 4.12Å
556	L	97.8	Very high	95.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-68	-43.7	172.6	-67.3	174.6	0	0	0	110.9	L525 A528 E529 Y532 D552 Y553 A554 A559 R560 L595 V598	L525-L556 HydrophobicContact CD1-CD2 4.45Å; A528-L556 HydrophobicContact CB-CD2 3.8Å; E529-L556 HydrophobicContact CG-CD2 4.39Å; Y532-L556 HydrophobicContact CD1-CD1 3.68Å; Y532-L556 HydrophobicContact CD2-CD1 4.23Å; Y532-L556 HydrophobicContact CE1-CD1 4.25Å; Y532-L556 HydrophobicContact CG-CD1 3.68Å; D552-L556 PolarHBondContact O-N 3Å; Y553-L556 HydrophobicContact CD2-CD1 4.42Å; Y553-L556 WeakPolarHBondContact O-CB 3.49Å; Y553-L556 PolarHBondContact O-N 3.43Å; A554-L556 VanDerWaalsContact C-N 3.31Å; A554-L556 PolarHBondContact O-N 2.87Å; L556-A559 PolarHBondContact O-N 2.98Å; L556-R560 WeakPolarHBondContact O-CD 3.44Å; L556-R560 WeakPolarHBondContact O-CG 3.29Å; L556-R560 PolarHBondContact O-N 3.24Å; L556-L595 HydrophobicContact CD2-CD2 3.89Å; L556-V598 HydrophobicContact CD2-CG1 4.17Å; L556-V598 HydrophobicContact CD2-CG2 4.35Å; L556-V598 HydrophobicContact CG-CG1 4.35Å; L556-V598 HydrophobicContact CG-CG2 4.35Å
557	V	96.7	Very high	95.9	Very high	9 Å²	9	26 Å²	26	6%	0.055	14%	0.135	C	C	.	.	H	α-helix	trans	-60.6	-46.6	176.3	178.1	0	0	0	0	111.2	Y553 A554 A559 R560 R561	Y553-V557 HydrophobicContact CD1-CG2 3.89Å; Y553-V557 HydrophobicContact CE1-CG2 3.42Å; Y553-V557 VanDerWaalsContact CE1-CG2 3.42Å; Y553-V557 PolarHBondContact O-N 3.39Å; A554-V557 PolarHBondContact O-N 2.91Å; V557-A559 VanDerWaalsContact C-N 3.3Å; V557-A559 PolarHBondContact O-N 2.88Å; V557-R560 PolarHBondContact O-N 3.3Å; V557-R561 WeakPolarHBondContact O-CG 3.28Å; V557-R561 PolarHBondContact O-N 3.49Å
558	D	97.1	Very high	96.4	Very high	92 Å²	92	19.7 Å²	19.7	49%	0.492	11%	0.111	S	C	.	.	H	α-helix	trans	-60.1	-40.7	176.4	-75.5	-15.2	0	0	0	112.1	A554 S562	A554-D558 PolarHBondContact O-N 3.45Å; D558-S562 VanDerWaalsContact O-CB 3.3Å; D558-S562 WeakPolarHBondContact O-CB 3.47Å; D558-S562 PolarHBondContact O-N 2.88Å; D558-S562 PolarHBondContact O-OG 3.12Å
559	A	98.5	Very high	96.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-67.3	-46.6	177.4	0	0	0	0	0	112.4	L525 L555 L556 V557 R561 S562 V563 A591 L595	L525-A559 HydrophobicContact CD1-CB 4.1Å; L555-A559 VanDerWaalsContact O-CB 3.31Å; L555-A559 WeakPolarHBondContact O-CB 3.34Å; L555-A559 PolarHBondContact O-N 2.96Å; L556-A559 PolarHBondContact O-N 2.98Å; V557-A559 VanDerWaalsContact C-N 3.3Å; V557-A559 PolarHBondContact O-N 2.88Å; A559-R561 VanDerWaalsContact C-N 3.32Å; A559-R561 PolarHBondContact O-N 3.31Å; A559-S562 PolarHBondContact O-N 3.48Å; A559-V563 WeakPolarHBondContact O-CB 3.38Å; A559-V563 WeakPolarHBondContact O-CG2 3.33Å; A559-V563 PolarHBondContact O-N 3Å; A559-A591 HydrophobicContact CB-CB 4Å; A559-L595 HydrophobicContact CB-CD1 3.94Å; A559-L595 HydrophobicContact CB-CD2 3.57Å; A559-L595 HydrophobicContact CB-CG 3.69Å
560	R	98.3	Very high	97	Very high	3 Å²	3	19.1 Å²	19.1	1%	0.011	11%	0.108	C	C	.	.	H	α-helix	trans	-54.4	-48	175	-68.6	159.1	-176.5	-179.1	1.5	111.2	L525 E529 Y553 L556 V557 G564 R1059 S1060	L525-R560 HydrophobicContact CD1-CG 4.08Å; L525-R560 HydrophobicContact CD2-CG 4.28Å; E529-R560 IonicContact OE1-CZ 3.74Å; E529-R560 IonicContact OE1-NE 2.76Å; E529-R560 PolarHBondContact OE1-NE 2.81Å; E529-R560 IonicContact OE1-NH2 3.41Å; E529-R560 PolarHBondContact OE1-NH2 2.87Å; E529-R560 IonicContact OE2-CZ 3.85Å; E529-R560 IonicContact OE2-NH2 2.8Å; E529-R560 PolarHBondContact OE2-NH2 3.12Å; Y553-R560 PolarHBondContact OH-NH1 3.45Å; L556-R560 WeakPolarHBondContact O-CD 3.44Å; L556-R560 WeakPolarHBondContact O-CG 3.29Å; L556-R560 PolarHBondContact O-N 3.24Å; V557-R560 PolarHBondContact O-N 3.3Å; R560-G564 PolarHBondContact O-N 3.46Å; R560-R1059 VanDerWaalsContact CD-NH2 3.32Å; R560-R1059 VanDerWaalsContact CZ-NH2 3.26Å; R560-R1059 VanDerWaalsContact NH1-NH2 3.18Å; R560-S1060 PolarHBondContact NH2-O 3.37Å
561	R	98.4	Very high	97.5	Very high	45 Å²	45	17 Å²	17	17%	0.17	10%	0.096	C	C	.	.	H	α-helix	trans	-67.7	-36	179.4	-69.6	174.9	175.8	-164.7	-5.9	112.9	E224 W250 E269 V557 A559 L565	E224-R561 IonicContact OE1-NH1 3.29Å; W250-R561 HydrophobicContact CH2-CG 4.02Å; W250-R561 HydrophobicContact CZ2-CB 3.93Å; W250-R561 HydrophobicContact CZ2-CG 3.69Å; W250-R561 PolarHBondContact NE1-O 2.87Å; E269-R561 HydrophobicContact CG-CG 3.95Å; E269-R561 IonicContact OE1-CZ 2.75Å; E269-R561 IonicContact OE1-NE 3.71Å; E269-R561 PolarHBondContact OE1-NE 3.1Å; E269-R561 IonicContact OE1-NH2 3.16Å; V557-R561 WeakPolarHBondContact O-CG 3.28Å; V557-R561 PolarHBondContact O-N 3.49Å; A559-R561 VanDerWaalsContact C-N 3.32Å; A559-R561 PolarHBondContact O-N 3.31Å; R561-L565 WeakPolarHBondContact O-CB 3.43Å; R561-L565 PolarHBondContact O-N 3.49Å
562	S	98.7	Very high	97.9	Very high	24 Å²	24	12.6 Å²	12.6	17%	0.168	7%	0.069	C	C	.	.	H	α-helix	trans	-71.9	-44.9	178.3	-61.1	0	0	0	0	112	D558 A559 L565 F566	D558-S562 VanDerWaalsContact O-CB 3.3Å; D558-S562 WeakPolarHBondContact O-CB 3.47Å; D558-S562 PolarHBondContact O-N 2.88Å; D558-S562 PolarHBondContact O-OG 3.12Å; A559-S562 PolarHBondContact O-N 3.48Å; S562-L565 PolarHBondContact O-N 3.12Å; S562-F566 PolarHBondContact O-N 3.14Å; S562-F566 VanDerWaalsContact O-N 3.13Å
563	V	98.6	Very high	98.1	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.006	7%	0.067	C	C	.	.	H	α-helix	trans	-63.1	-46.6	173.6	172.6	0	0	0	0	109.9	A262 I521 E522 L525 A559 L565 F566 Q567	A262-V563 HydrophobicContact CB-CG1 4.09Å; I521-V563 HydrophobicContact CB-CG2 4.38Å; I521-V563 HydrophobicContact CG2-CG2 3.4Å; I521-V563 VanDerWaalsContact CG2-CG2 3.4Å; E522-V563 HydrophobicContact CG-CG1 4.09Å; L525-V563 HydrophobicContact CD2-CB 4.36Å; L525-V563 HydrophobicContact CD2-CG2 4.2Å; A559-V563 WeakPolarHBondContact O-CB 3.38Å; A559-V563 WeakPolarHBondContact O-CG2 3.33Å; A559-V563 PolarHBondContact O-N 3Å; V563-L565 VanDerWaalsContact C-N 3.33Å; V563-L565 PolarHBondContact O-N 3.26Å; V563-F566 PolarHBondContact O-N 3.18Å; V563-F566 VanDerWaalsContact O-N 3.09Å; V563-Q567 WeakPolarHBondContact O-CG 2.99Å; V563-Q567 PolarHBondContact O-N 2.89Å; V563-Q567 PolarHBondContact O-NE2 3.16Å
564	G	98.6	Very high	98.3	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.01	7%	0.068	C	C	.	.	H	α-helix	trans	-61.4	-39.1	177.9	0	0	0	0	0	113.1	V251 R560 F566 Q567	V251-G564 VanDerWaalsContact CG2-O 3.23Å; V251-G564 WeakPolarHBondContact CG2-O 3.46Å; R560-G564 PolarHBondContact O-N 3.46Å; G564-F566 VanDerWaalsContact C-N 3.3Å; G564-F566 PolarHBondContact O-N 2.92Å; G564-Q567 PolarHBondContact O-N 2.83Å
565	L	98.9	Very high	98.4	Very high	8 Å²	8	11.5 Å²	11.5	4%	0.042	6%	0.06	C	C	.	.	H	α-helix	trans	-62.8	-39.5	174.3	-174.9	69.1	0	0	0	111.2	P178 F184 V251 R561 S562 V563 Q567 H568 Y584 K587	P178-L565 HydrophobicContact CB-CD1 3.43Å; P178-L565 VanDerWaalsContact CB-CD1 3.43Å; F184-L565 HydrophobicContact CB-CD2 4.41Å; F184-L565 HydrophobicContact CD2-CD1 3.91Å; F184-L565 HydrophobicContact CE2-CD1 4.23Å; F184-L565 HydrophobicContact CG-CD1 4.36Å; F184-L565 HydrophobicContact CG-CD2 4.41Å; V251-L565 HydrophobicContact CG1-CD1 4.15Å; R561-L565 WeakPolarHBondContact O-CB 3.43Å; R561-L565 PolarHBondContact O-N 3.49Å; S562-L565 PolarHBondContact O-N 3.12Å; V563-L565 VanDerWaalsContact C-N 3.33Å; V563-L565 PolarHBondContact O-N 3.26Å; L565-Q567 PolarHBondContact O-N 3.14Å; L565-H568 WeakPolarHBondContact O-CB 3.31Å; L565-H568 PolarHBondContact O-N 3.32Å; L565-Y584 HydrophobicContact CD2-CD1 4.37Å; L565-Y584 HydrophobicContact CD2-CE1 4.08Å; L565-Y584 HydrophobicContact CG-CE1 4Å; L565-K587 HydrophobicContact CD2-CD 3.95Å
566	F	98.9	Very high	98.5	Very high	4 Å²	4	9.3 Å²	9.3	2%	0.018	5%	0.049	C	C	.	.	H	α-helix	trans	-70	-14.3	-179.9	-163.7	-109.3	0	0	0	113.8	D518 S562 V563 G564 H568 A571 I572 Y584 L588	D518-F566 HydrophobicContact CB-CD1 3.8Å; D518-F566 HydrophobicContact CB-CE1 3.74Å; D518-F566 WeakPolarHBondContact OD1-CD1 3.49Å; S562-F566 PolarHBondContact O-N 3.14Å; S562-F566 VanDerWaalsContact O-N 3.13Å; V563-F566 PolarHBondContact O-N 3.18Å; V563-F566 VanDerWaalsContact O-N 3.09Å; G564-F566 VanDerWaalsContact C-N 3.3Å; G564-F566 PolarHBondContact O-N 2.92Å; F566-H568 PolarHBondContact O-N 2.93Å; F566-A571 HydrophobicContact CD2-CB 3.73Å; F566-A571 HydrophobicContact CE2-CB 4.06Å; F566-A571 HydrophobicContact CG-CB 4.26Å; F566-A571 WeakPolarHBondContact O-CB 3.5Å; F566-I572 HydrophobicContact CD1-CB 4.1Å; F566-I572 HydrophobicContact CE1-CB 3.91Å; F566-I572 HydrophobicContact CE1-CG1 4.11Å; F566-I572 VanDerWaalsContact O-CB 3.32Å; F566-I572 WeakPolarHBondContact O-CB 3.41Å; F566-I572 PolarHBondContact O-N 3.34Å; F566-Y584 HydrophobicContact CD2-CD1 4.3Å; F566-Y584 HydrophobicContact CD2-CD2 4.27Å; F566-Y584 AromaticContact CD2-CG 3.87Å; F566-Y584 HydrophobicContact CD2-CG 3.87Å; F566-Y584 HydrophobicContact CE2-CD2 4.24Å; F566-Y584 HydrophobicContact CE2-CG 4.15Å; F566-L588 HydrophobicContact CB-CD1 4.44Å; F566-L588 HydrophobicContact CB-CD2 4.06Å; F566-L588 HydrophobicContact CD1-CD1 3.95Å; F566-L588 HydrophobicContact CD2-CD1 3.83Å; F566-L588 HydrophobicContact CD2-CG 4.47Å; F566-L588 HydrophobicContact CE1-CD1 4.15Å; F566-L588 HydrophobicContact CE2-CD1 4.04Å; F566-L588 HydrophobicContact CG-CD1 3.79Å; F566-L588 HydrophobicContact CG-CD2 4.29Å; F566-L588 HydrophobicContact CG-CG 4.36Å; F566-L588 HydrophobicContact CZ-CD1 4.21Å
567	Q	98.8	Very high	98.5	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-5.7	173.9	-50.9	-47.2	-61.1	0	0	113.1	V251 T253 D254 A262 D518 V563 G564 L565	V251-Q567 HydrophobicContact CG2-CB 4.22Å; T253-Q567 CarbonylContact C-O 3.42Å; T253-Q567 VanDerWaalsContact CA-O 3.24Å; T253-Q567 WeakPolarHBondContact CA-O 3.1Å; T253-Q567 VanDerWaalsContact OG1-CB 3.25Å; T253-Q567 WeakPolarHBondContact OG1-CB 3.48Å; T253-Q567 PolarHBondContact OG1-O 3.36Å; D254-Q567 PolarHBondContact N-O 3.02Å; A262-Q567 HydrophobicContact CB-CG 3.74Å; D518-Q567 PolarHBondContact OD1-NE2 3.09Å; V563-Q567 WeakPolarHBondContact O-CG 2.99Å; V563-Q567 PolarHBondContact O-N 2.89Å; V563-Q567 PolarHBondContact O-NE2 3.16Å; G564-Q567 PolarHBondContact O-N 2.83Å; L565-Q567 PolarHBondContact O-N 3.14Å
568	H	98.8	Very high	98.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.077	C	C	.	.	B	Isolated β-bridge	trans	-53.8	145.1	174.7	168.8	-121.6	0	0	0	111.5	D177 P178 G179 V251 L565 F566 D570 A571 Y584	D177-H568 IonicContact OD1-CE1 2.85Å; D177-H568 IonicContact OD1-NE2 2.64Å; D177-H568 PolarHBondContact OD1-NE2 2.66Å; P178-H568 VanDerWaalsContact CD-CD2 3.48Å; P178-H568 WeakPolarHBondContact CD-CD2 3.35Å; G179-H568 PolarHBondContact O-CE1 3.31Å; G179-H568 VanDerWaalsContact O-CE1 3.28Å; G179-H568 PolarHBondContact O-ND1 2.96Å; V251-H568 HydrophobicContact CB-CB 4.2Å; V251-H568 HydrophobicContact CG1-CB 4.21Å; V251-H568 HydrophobicContact CG2-CB 4.41Å; L565-H568 WeakPolarHBondContact O-CB 3.31Å; L565-H568 PolarHBondContact O-N 3.32Å; F566-H568 PolarHBondContact O-N 2.93Å; H568-D570 VanDerWaalsContact CE1-CB 3.44Å; H568-D570 WeakPolarHBondContact CE1-CB 3.15Å; H568-D570 PolarHBondContact CE1-N 3.5Å; H568-D570 VanDerWaalsContact CE1-N 3.32Å; H568-D570 IonicContact CE1-OD2 2.65Å; H568-D570 PolarHBondContact CE1-OD2 2.75Å; H568-D570 PolarHBondContact ND1-N 2.6Å; H568-D570 IonicContact NE2-OD2 3.05Å; H568-D570 PolarHBondContact O-N 2.88Å; H568-A571 HydrophobicContact CB-CB 4.05Å; H568-A571 PolarHBondContact O-N 3.26Å; H568-Y584 PolarHBondContact ND1-OH 2.82Å
569	H	98.8	Very high	98.6	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.005	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-1.4	-178.7	56.9	-93.1	0	0	0	115.7	H175 D177 M252 D254 D289 F291 T573 T575	H175-H569 AromaticContact CE1-CE1 3.53Å; H175-H569 AromaticContact CE1-NE2 3.68Å; H175-H569 AromaticContact NE2-CE1 3.7Å; H175-H569 AromaticContact NE2-NE2 3.39Å; H175-H569 PolarHBondContact NE2-NE2 3.36Å; D177-H569 IonicContact OD1-CE1 2.68Å; D177-H569 IonicContact OD1-NE2 2.8Å; D177-H569 PolarHBondContact OD1-NE2 2.94Å; D177-H569 VanDerWaalsContact OD1-NE2 3.07Å; M252-H569 PolarHBondContact O-N 2.8Å; M252-H569 PolarHBondContact O-ND1 2.82Å; D254-H569 HydrophobicContact CB-CB 4.47Å; D289-H569 IonicContact OD2-CD2 3.91Å; D289-H569 IonicContact OD2-NE2 3.12Å; D289-H569 PolarHBondContact OD2-NE2 2.77Å; D289-H569 VanDerWaalsContact OD2-NE2 3.15Å; F291-H569 WeakPolarHBondContact CE2-O 3.42Å; F291-H569 HydrophobicContact CZ-CB 4.4Å; F291-H569 VanDerWaalsContact CZ-O 3.23Å; F291-H569 WeakPolarHBondContact CZ-O 3.41Å; H569-T573 VanDerWaalsContact C-OG1 3.28Å; H569-T573 WeakPolarHBondContact O-CB 3.16Å; H569-T573 WeakPolarHBondContact O-CG2 3.16Å; H569-T573 PolarHBondContact O-OG1 2.96Å; H569-T575 PolarHBondContact O-OG1 2.86Å
570	D	98.8	Very high	98.6	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.011	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-2.5	162.7	-62	-73.4	0	0	0	115.5	W180 H568 T573 T575 A576 Y815	W180-D570 HydrophobicContact CB-CB 4.02Å; W180-D570 HydrophobicContact CG-CB 4.19Å; H568-D570 VanDerWaalsContact CE1-CB 3.44Å; H568-D570 WeakPolarHBondContact CE1-CB 3.15Å; H568-D570 PolarHBondContact CE1-N 3.5Å; H568-D570 VanDerWaalsContact CE1-N 3.32Å; H568-D570 IonicContact CE1-OD2 2.65Å; H568-D570 PolarHBondContact CE1-OD2 2.75Å; H568-D570 PolarHBondContact ND1-N 2.6Å; H568-D570 IonicContact NE2-OD2 3.05Å; H568-D570 PolarHBondContact O-N 2.88Å; D570-T573 VanDerWaalsContact C-OG1 3.31Å; D570-T573 WeakPolarHBondContact CA-OG1 3.41Å; D570-T575 VanDerWaalsContact CA-OG1 3.32Å; D570-T575 WeakPolarHBondContact CA-OG1 3.33Å; D570-T575 PolarHBondContact O-N 3.4Å; D570-T575 PolarHBondContact OD1-OG1 2.83Å; D570-A576 HydrophobicContact CB-CB 4.21Å; D570-A576 VanDerWaalsContact O-CB 3.23Å; D570-A576 WeakPolarHBondContact O-CB 3.22Å; D570-A576 PolarHBondContact O-N 3.1Å; D570-Y815 PolarHBondContact OD1-OH 2.93Å; D570-Y815 VanDerWaalsContact OD1-OH 3.08Å
571	A	98.8	Very high	98.6	Very high	2 Å²	2	15.2 Å²	15.2	2%	0.017	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-80.3	-179.3	0	0	0	0	0	111	F566 H568 T573 G574 Y584	F566-A571 HydrophobicContact CD2-CB 3.73Å; F566-A571 HydrophobicContact CE2-CB 4.06Å; F566-A571 HydrophobicContact CG-CB 4.26Å; F566-A571 WeakPolarHBondContact O-CB 3.5Å; H568-A571 HydrophobicContact CB-CB 4.05Å; H568-A571 PolarHBondContact O-N 3.26Å; A571-T573 PolarHBondContact O-N 3.03Å; A571-G574 PolarHBondContact O-N 3.32Å; A571-Y584 HydrophobicContact CB-CD1 4.5Å; A571-Y584 HydrophobicContact CB-CD2 3.87Å; A571-Y584 HydrophobicContact CB-CE1 4.13Å; A571-Y584 HydrophobicContact CB-CE2 3.43Å; A571-Y584 VanDerWaalsContact CB-CE2 3.43Å; A571-Y584 HydrophobicContact CB-CG 4.39Å
572	I	98.8	Very high	98.6	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.01	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-30.6	179.4	-169.8	175	0	0	0	112.8	D254 N257 K515 D518 F566 G574	D254-I572 HydrophobicContact CB-CG2 3.61Å; N257-I572 HydrophobicContact CB-CD1 4.06Å; N257-I572 HydrophobicContact CB-CG1 4.03Å; N257-I572 WeakPolarHBondContact O-CD1 3.15Å; K515-I572 VanDerWaalsContact CE-O 3.26Å; K515-I572 WeakPolarHBondContact CE-O 3.5Å; K515-I572 HydrophobicContact CG-CG1 4.32Å; K515-I572 VanDerWaalsContact CG-O 3.3Å; K515-I572 WeakPolarHBondContact CG-O 3.23Å; K515-I572 PolarHBondContact NZ-O 3.25Å; D518-I572 WeakPolarHBondContact OD2-CD1 3.14Å; F566-I572 HydrophobicContact CD1-CB 4.1Å; F566-I572 HydrophobicContact CE1-CB 3.91Å; F566-I572 HydrophobicContact CE1-CG1 4.11Å; F566-I572 VanDerWaalsContact O-CB 3.32Å; F566-I572 WeakPolarHBondContact O-CB 3.41Å; F566-I572 PolarHBondContact O-N 3.34Å; I572-G574 PolarHBondContact O-N 3.04Å
573	T	98.8	Very high	98.7	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-22.8	175.2	56.8	0	0	0	0	112.7	D254 F291 Y507 K515 H569 D570 A571 T575	D254-T573 HydrophobicContact CB-CG2 3.73Å; D254-T573 WeakPolarHBondContact OD2-CG2 3.48Å; F291-T573 HydrophobicContact CD2-CG2 4.37Å; F291-T573 HydrophobicContact CE2-CG2 4.1Å; Y507-T573 HydrophobicContact CD2-CG2 3.56Å; Y507-T573 HydrophobicContact CE2-CG2 3.75Å; K515-T573 PolarHBondContact NZ-O 3.05Å; H569-T573 VanDerWaalsContact C-OG1 3.28Å; H569-T573 WeakPolarHBondContact O-CB 3.16Å; H569-T573 WeakPolarHBondContact O-CG2 3.16Å; H569-T573 PolarHBondContact O-OG1 2.96Å; D570-T573 VanDerWaalsContact C-OG1 3.31Å; D570-T573 WeakPolarHBondContact CA-OG1 3.41Å; A571-T573 PolarHBondContact O-N 3.03Å; T573-T575 PolarHBondContact OG1-OG1 3.43Å
574	G	98.6	Very high	98.7	Very high	2 Å²	2	16.7 Å²	16.7	2%	0.021	8%	0.084	C	C	.	.	S	Bend	trans	75.2	29.4	-179.5	0	0	0	0	0	113.9	R511 A571 I572	R511-G574 VanDerWaalsContact CD-CA 3.49Å; R511-G574 VanDerWaalsContact CD-O 3.24Å; R511-G574 WeakPolarHBondContact CD-O 3.28Å; R511-G574 PolarHBondContact NE-O 3.11Å; A571-G574 PolarHBondContact O-N 3.32Å; I572-G574 PolarHBondContact O-N 3.04Å
575	T	98.8	Very high	98.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.083	C	C	.	.			trans	-109.7	7.8	-174.5	57.3	0	0	0	0	114.5	F291 H569 D570 T573 A814 Y815 L973	F291-T575 HydrophobicContact CE2-CG2 4.31Å; H569-T575 PolarHBondContact O-OG1 2.86Å; D570-T575 VanDerWaalsContact CA-OG1 3.32Å; D570-T575 WeakPolarHBondContact CA-OG1 3.33Å; D570-T575 PolarHBondContact O-N 3.4Å; D570-T575 PolarHBondContact OD1-OG1 2.83Å; T573-T575 PolarHBondContact OG1-OG1 3.43Å; T575-A814 HydrophobicContact CG2-CB 4.16Å; T575-Y815 HydrophobicContact CG2-CD1 3.48Å; T575-Y815 VanDerWaalsContact CG2-CD1 3.48Å; T575-Y815 HydrophobicContact CG2-CD2 4.31Å; T575-Y815 HydrophobicContact CG2-CE1 3.48Å; T575-Y815 VanDerWaalsContact CG2-CE1 3.48Å; T575-Y815 HydrophobicContact CG2-CE2 4.3Å; T575-Y815 HydrophobicContact CG2-CG 3.93Å; T575-Y815 PolarHBondContact O-OH 3.49Å; T575-L973 VanDerWaalsContact O-CD1 3.31Å; T575-L973 WeakPolarHBondContact O-CD1 3.43Å
576	A	98.8	Very high	98.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	-80.8	166.8	167.8	0	0	0	0	0	113.2	W180 R511 D570 V580 V581 Y584 L973	W180-A576 CarbonylContact O-C 3.55Å; W180-A576 WeakPolarHBondContact O-CA 3.27Å; W180-A576 WeakPolarHBondContact O-CB 3.42Å; R511-A576 PolarHBondContact NH2-O 3.19Å; D570-A576 HydrophobicContact CB-CB 4.21Å; D570-A576 VanDerWaalsContact O-CB 3.23Å; D570-A576 WeakPolarHBondContact O-CB 3.22Å; D570-A576 PolarHBondContact O-N 3.1Å; A576-V580 HydrophobicContact CB-CB 3.97Å; A576-V580 HydrophobicContact CB-CG1 3.83Å; A576-V581 HydrophobicContact CB-CG2 3.94Å; A576-Y584 HydrophobicContact CB-CE2 4.2Å; A576-L973 VanDerWaalsContact C-CD1 3.47Å
577	K	98.6	Very high	98.6	Very high	58 Å²	58	20 Å²	20	25%	0.252	10%	0.101	S	C	.	.			trans	-66.8	150.8	173.3	-77.2	-167	173.8	174.6	0	111.8	W180 V181 N579 V580 V581 L973 Q975	W180-K577 PolarHBondContact O-N 2.99Å; V181-K577 HydrophobicContact CG1-CD 3.94Å; K577-N579 VanDerWaalsContact C-N 3.31Å; K577-N579 WeakPolarHBondContact CB-OD1 3.19Å; K577-N579 PolarHBondContact O-N 2.91Å; K577-V580 HydrophobicContact CB-CG2 4.17Å; K577-V580 WeakPolarHBondContact O-CA 3.29Å; K577-V580 VanDerWaalsContact O-CB 3.3Å; K577-V580 WeakPolarHBondContact O-CB 3.48Å; K577-V580 PolarHBondContact O-N 3.47Å; K577-V581 PolarHBondContact O-N 3.28Å; K577-L973 HydrophobicContact CB-CD1 4.29Å; K577-L973 WeakPolarHBondContact CE-O 3.47Å; K577-L973 HydrophobicContact CG-CD1 3.53Å; K577-Q975 VanDerWaalsContact CA-OE1 3.25Å; K577-Q975 HydrophobicContact CG-CG 4.29Å
578	E	97.7	Very high	98.6	Very high	81 Å²	81	20 Å²	20	38%	0.379	10%	0.101	S	C	.	.	H	α-helix	trans	-46.2	-49	178.9	178.1	172.4	-170.9	0	0	113.7	V580 V581 I582 D979	E578-V580 PolarHBondContact O-N 3.27Å; E578-V581 PolarHBondContact O-N 3.46Å; E578-I582 HydrophobicContact CG-CD1 4.06Å; E578-I582 VanDerWaalsContact O-CG1 3.32Å; E578-I582 WeakPolarHBondContact O-CG1 3.29Å; E578-I582 PolarHBondContact O-N 3.16Å; E578-D979 WeakPolarHBondContact CB-OD2 3.42Å; E578-D979 HydrophobicContact CG-CB 4.01Å; E578-D979 WeakPolarHBondContact CG-OD2 3.46Å
579	N	98	Very high	98.6	Very high	86 Å²	86	21.2 Å²	21.2	46%	0.46	11%	0.107	S	C	.	.	H	α-helix	trans	-65.3	-27.4	179.3	66.3	-60.6	0	0	0	113.4	K577 D583	K577-N579 VanDerWaalsContact C-N 3.31Å; K577-N579 WeakPolarHBondContact CB-OD1 3.19Å; K577-N579 PolarHBondContact O-N 2.91Å; N579-D583 PolarHBondContact O-N 2.83Å
580	V	98.8	Very high	98.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-76.4	-41.6	175.3	-177	0	0	0	0	110.4	W180 K182 T183 A576 K577 E578 I582 D583 Y584	W180-V580 WeakPolarHBondContact O-CG2 3.34Å; K182-V580 WeakPolarHBondContact O-CG2 3.45Å; T183-V580 HydrophobicContact CG2-CG2 4.28Å; A576-V580 HydrophobicContact CB-CB 3.97Å; A576-V580 HydrophobicContact CB-CG1 3.83Å; K577-V580 HydrophobicContact CB-CG2 4.17Å; K577-V580 WeakPolarHBondContact O-CA 3.29Å; K577-V580 VanDerWaalsContact O-CB 3.3Å; K577-V580 WeakPolarHBondContact O-CB 3.48Å; K577-V580 PolarHBondContact O-N 3.47Å; E578-V580 PolarHBondContact O-N 3.27Å; V580-I582 VanDerWaalsContact C-N 3.29Å; V580-I582 PolarHBondContact O-N 3.34Å; V580-D583 WeakPolarHBondContact O-CA 3.38Å; V580-D583 WeakPolarHBondContact O-CB 3.15Å; V580-D583 PolarHBondContact O-N 2.84Å; V580-D583 VanDerWaalsContact O-N 3.07Å; V580-Y584 HydrophobicContact CG1-CD2 4.14Å; V580-Y584 HydrophobicContact CG1-CE2 3.65Å; V580-Y584 WeakPolarHBondContact O-CD2 3.13Å; V580-Y584 PolarHBondContact O-N 2.84Å
581	V	98.6	Very high	98.5	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.012	14%	0.14	C	C	.	.	H	α-helix	trans	-65	-34.6	174.8	175.3	0	0	0	0	112.1	Y514 A576 K577 E578 D583 Y584 G585	Y514-V581 HydrophobicContact CD1-CG1 4.35Å; Y514-V581 HydrophobicContact CD2-CG1 3.55Å; Y514-V581 HydrophobicContact CE1-CG1 4.13Å; Y514-V581 HydrophobicContact CE2-CG1 3.28Å; Y514-V581 HydrophobicContact CG-CG1 4.07Å; A576-V581 HydrophobicContact CB-CG2 3.94Å; K577-V581 PolarHBondContact O-N 3.28Å; E578-V581 PolarHBondContact O-N 3.46Å; V581-D583 VanDerWaalsContact C-N 3.32Å; V581-D583 PolarHBondContact O-N 2.91Å; V581-Y584 PolarHBondContact O-N 2.79Å; V581-G585 PolarHBondContact O-N 2.82Å
582	I	98.6	Very high	98.5	Very high	68 Å²	68	29.7 Å²	29.7	35%	0.349	14%	0.14	S	C	.	.	H	α-helix	trans	-62.8	-39.2	171	-67.6	166.2	0	0	0	111.4	E578 V580 G585 T586	E578-I582 HydrophobicContact CG-CD1 4.06Å; E578-I582 VanDerWaalsContact O-CG1 3.32Å; E578-I582 WeakPolarHBondContact O-CG1 3.29Å; E578-I582 PolarHBondContact O-N 3.16Å; V580-I582 VanDerWaalsContact C-N 3.29Å; V580-I582 PolarHBondContact O-N 3.34Å; I582-G585 PolarHBondContact O-N 3.47Å; I582-T586 WeakPolarHBondContact O-CB 3.48Å; I582-T586 PolarHBondContact O-N 3.13Å; I582-T586 PolarHBondContact O-OG1 3.05Å
583	D	98.8	Very high	98.5	Very high	31 Å²	31	34.4 Å²	34.4	17%	0.166	16%	0.164	C	C	.	.	H	α-helix	trans	-63.6	-48.3	175	179.3	52	0	0	0	110.8	T183 N579 V580 V581 G585 T586 K587	T183-D583 HydrophobicContact CG2-CB 3.73Å; N579-D583 PolarHBondContact O-N 2.83Å; V580-D583 WeakPolarHBondContact O-CA 3.38Å; V580-D583 WeakPolarHBondContact O-CB 3.15Å; V580-D583 PolarHBondContact O-N 2.84Å; V580-D583 VanDerWaalsContact O-N 3.07Å; V581-D583 VanDerWaalsContact C-N 3.32Å; V581-D583 PolarHBondContact O-N 2.91Å; D583-G585 PolarHBondContact O-N 2.95Å; D583-T586 WeakPolarHBondContact O-CB 3.43Å; D583-T586 PolarHBondContact O-N 2.96Å; D583-K587 WeakPolarHBondContact O-CG 3.33Å; D583-K587 PolarHBondContact O-N 2.61Å; D583-K587 WeakPolarHBondContact OD1-CE 3.48Å; D583-K587 IonicContact OD1-NZ 2.68Å; D583-K587 PolarHBondContact OD1-NZ 2.86Å; D583-K587 WeakPolarHBondContact OD2-CE 3.26Å; D583-K587 IonicContact OD2-NZ 2.71Å; D583-K587 PolarHBondContact OD2-NZ 2.73Å
584	Y	98.8	Very high	98.4	Very high	3 Å²	3	34.8 Å²	34.8	1%	0.012	17%	0.168	C	C	.	.	H	α-helix	trans	-55.3	-52.1	172.9	-70.3	-42	0	0	0	112.3	P178 G179 L565 F566 H568 A571 A576 V580 V581 T586 K587 L588	P178-Y584 PolarHBondContact O-OH 2.89Å; G179-Y584 VanDerWaalsContact C-OH 3.25Å; G179-Y584 WeakPolarHBondContact CA-OH 3.36Å; G179-Y584 PolarHBondContact N-OH 2.71Å; G179-Y584 PolarHBondContact O-OH 2.94Å; L565-Y584 HydrophobicContact CD2-CD1 4.37Å; L565-Y584 HydrophobicContact CD2-CE1 4.08Å; L565-Y584 HydrophobicContact CG-CE1 4Å; F566-Y584 HydrophobicContact CD2-CD1 4.3Å; F566-Y584 HydrophobicContact CD2-CD2 4.27Å; F566-Y584 AromaticContact CD2-CG 3.87Å; F566-Y584 HydrophobicContact CD2-CG 3.87Å; F566-Y584 HydrophobicContact CE2-CD2 4.24Å; F566-Y584 HydrophobicContact CE2-CG 4.15Å; H568-Y584 PolarHBondContact ND1-OH 2.82Å; A571-Y584 HydrophobicContact CB-CD1 4.5Å; A571-Y584 HydrophobicContact CB-CD2 3.87Å; A571-Y584 HydrophobicContact CB-CE1 4.13Å; A571-Y584 HydrophobicContact CB-CE2 3.43Å; A571-Y584 VanDerWaalsContact CB-CE2 3.43Å; A571-Y584 HydrophobicContact CB-CG 4.39Å; A576-Y584 HydrophobicContact CB-CE2 4.2Å; V580-Y584 HydrophobicContact CG1-CD2 4.14Å; V580-Y584 HydrophobicContact CG1-CE2 3.65Å; V580-Y584 WeakPolarHBondContact O-CD2 3.13Å; V580-Y584 PolarHBondContact O-N 2.84Å; V581-Y584 PolarHBondContact O-N 2.79Å; Y584-T586 PolarHBondContact O-N 2.83Å; Y584-K587 PolarHBondContact O-N 3.48Å; Y584-K587 VanDerWaalsContact O-N 3.12Å; Y584-L588 WeakPolarHBondContact O-CB 2.97Å; Y584-L588 WeakPolarHBondContact O-CG 3.38Å; Y584-L588 PolarHBondContact O-N 2.76Å
585	G	98.4	Very high	98.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-56.5	-38.8	177.6	0	0	0	0	0	112.7	V581 I582 D583 L588 L589 Q632	V581-G585 PolarHBondContact O-N 2.82Å; I582-G585 PolarHBondContact O-N 3.47Å; D583-G585 PolarHBondContact O-N 2.95Å; G585-L588 PolarHBondContact O-N 3.49Å; G585-L589 WeakPolarHBondContact O-CB 3.19Å; G585-L589 PolarHBondContact O-N 3.11Å; G585-Q632 VanDerWaalsContact O-CB 3.31Å; G585-Q632 WeakPolarHBondContact O-CB 3.32Å
586	T	98.6	Very high	98.3	Very high	42 Å²	42	35.4 Å²	35.4	26%	0.258	17%	0.17	S	C	.	.	H	α-helix	trans	-66.8	-43	177.5	-59.3	0	0	0	0	111.8	I582 D583 Y584 R590	I582-T586 WeakPolarHBondContact O-CB 3.48Å; I582-T586 PolarHBondContact O-N 3.13Å; I582-T586 PolarHBondContact O-OG1 3.05Å; D583-T586 WeakPolarHBondContact O-CB 3.43Å; D583-T586 PolarHBondContact O-N 2.96Å; Y584-T586 PolarHBondContact O-N 2.83Å; T586-R590 WeakPolarHBondContact O-CG 2.91Å; T586-R590 PolarHBondContact O-N 2.68Å; T586-R590 VanDerWaalsContact O-N 3.09Å
587	K	98.6	Very high	98.2	Very high	40 Å²	40	39.5 Å²	39.5	17%	0.174	19%	0.186	C	C	.	.	H	α-helix	trans	-64.5	-44.5	175.8	-63.7	-176.4	-156.6	-49.9	0	111	D185 L565 D583 Y584 R590 A591	D185-K587 IonicContact OD2-NZ 3.26Å; D185-K587 PolarHBondContact OD2-NZ 3.39Å; L565-K587 HydrophobicContact CD2-CD 3.95Å; D583-K587 WeakPolarHBondContact O-CG 3.33Å; D583-K587 PolarHBondContact O-N 2.61Å; D583-K587 WeakPolarHBondContact OD1-CE 3.48Å; D583-K587 IonicContact OD1-NZ 2.68Å; D583-K587 PolarHBondContact OD1-NZ 2.86Å; D583-K587 WeakPolarHBondContact OD2-CE 3.26Å; D583-K587 IonicContact OD2-NZ 2.71Å; D583-K587 PolarHBondContact OD2-NZ 2.73Å; Y584-K587 PolarHBondContact O-N 3.48Å; Y584-K587 VanDerWaalsContact O-N 3.12Å; K587-R590 PolarHBondContact O-N 2.83Å; K587-A591 WeakPolarHBondContact O-CB 3.45Å; K587-A591 PolarHBondContact O-N 2.82Å
588	L	98.6	Very high	98.2	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-59.4	-45.8	175.3	-75.3	-176.5	0	0	0	112.7	L517 I521 F566 Y584 G585 R590 A591 L592	L517-L588 HydrophobicContact CD2-CB 4.15Å; L517-L588 HydrophobicContact CD2-CD1 4.28Å; L517-L588 HydrophobicContact CG-CD1 4.48Å; I521-L588 HydrophobicContact CD1-CB 3.44Å; I521-L588 VanDerWaalsContact CD1-CB 3.44Å; I521-L588 HydrophobicContact CD1-CD1 4.36Å; I521-L588 HydrophobicContact CD1-CD2 3.75Å; I521-L588 HydrophobicContact CD1-CG 4.02Å; I521-L588 VanDerWaalsContact CD1-O 3.26Å; I521-L588 WeakPolarHBondContact CD1-O 3.23Å; F566-L588 HydrophobicContact CB-CD1 4.44Å; F566-L588 HydrophobicContact CB-CD2 4.06Å; F566-L588 HydrophobicContact CD1-CD1 3.95Å; F566-L588 HydrophobicContact CD2-CD1 3.83Å; F566-L588 HydrophobicContact CD2-CG 4.47Å; F566-L588 HydrophobicContact CE1-CD1 4.15Å; F566-L588 HydrophobicContact CE2-CD1 4.04Å; F566-L588 HydrophobicContact CG-CD1 3.79Å; F566-L588 HydrophobicContact CG-CD2 4.29Å; F566-L588 HydrophobicContact CG-CG 4.36Å; F566-L588 HydrophobicContact CZ-CD1 4.21Å; Y584-L588 WeakPolarHBondContact O-CB 2.97Å; Y584-L588 WeakPolarHBondContact O-CG 3.38Å; Y584-L588 PolarHBondContact O-N 2.76Å; G585-L588 PolarHBondContact O-N 3.49Å; L588-R590 PolarHBondContact O-N 3.47Å; L588-A591 WeakPolarHBondContact O-CB 3.48Å; L588-A591 PolarHBondContact O-N 3.02Å; L588-L592 PolarHBondContact O-N 3.06Å
589	L	98.1	Very high	98.2	Very high	24 Å²	24	33 Å²	33	13%	0.126	16%	0.156	C	C	.	.	H	α-helix	trans	-62.6	-42.8	176.6	176.9	62.4	0	0	0	111.8	G585 L592 I593 R629 Q632	G585-L589 WeakPolarHBondContact O-CB 3.19Å; G585-L589 PolarHBondContact O-N 3.11Å; L589-L592 PolarHBondContact O-N 2.95Å; L589-I593 HydrophobicContact CD1-CD1 4.15Å; L589-I593 HydrophobicContact CD1-CG1 4.36Å; L589-I593 HydrophobicContact CG-CD1 4.02Å; L589-I593 WeakPolarHBondContact O-CG1 3.38Å; L589-I593 PolarHBondContact O-N 3.37Å; L589-R629 HydrophobicContact CD1-CB 3.83Å; L589-Q632 HydrophobicContact CB-CB 4.23Å; L589-Q632 HydrophobicContact CD2-CB 4.27Å
590	R	98.3	Very high	98.2	Very high	174 Å²	174	29.6 Å²	29.6	66%	0.657	14%	0.138	S	C	*	.	H	α-helix	trans	-62.1	-43.9	176.3	-72.7	174.5	-174.5	170.7	3.5	111.4	T586 K587 L588 I593 G594	T586-R590 WeakPolarHBondContact O-CG 2.91Å; T586-R590 PolarHBondContact O-N 2.68Å; T586-R590 VanDerWaalsContact O-N 3.09Å; K587-R590 PolarHBondContact O-N 2.83Å; L588-R590 PolarHBondContact O-N 3.47Å; R590-I593 PolarHBondContact O-N 2.8Å; R590-G594 PolarHBondContact O-N 2.8Å
591	A	98.4	Very high	98.1	Very high	5 Å²	5	30 Å²	30	4%	0.041	14%	0.14	C	C	.	.	H	α-helix	trans	-58.2	-48.3	173.9	0	0	0	0	0	111.1	A559 K587 L588 I593 G594 L595	A559-A591 HydrophobicContact CB-CB 4Å; K587-A591 WeakPolarHBondContact O-CB 3.45Å; K587-A591 PolarHBondContact O-N 2.82Å; L588-A591 WeakPolarHBondContact O-CB 3.48Å; L588-A591 PolarHBondContact O-N 3.02Å; A591-I593 VanDerWaalsContact C-N 3.34Å; A591-I593 PolarHBondContact O-N 2.85Å; A591-G594 PolarHBondContact O-N 3.01Å; A591-G594 VanDerWaalsContact O-N 3.13Å; A591-L595 WeakPolarHBondContact O-CB 3.24Å; A591-L595 VanDerWaalsContact O-CG 3.24Å; A591-L595 WeakPolarHBondContact O-CG 3.49Å; A591-L595 PolarHBondContact O-N 3.5Å
592	L	98.3	Very high	98	Very high	4 Å²	4	29.9 Å²	29.9	2%	0.021	14%	0.14	C	C	.	.	H	α-helix	trans	-57.8	-44.6	177.8	-174.8	57.4	0	0	0	112.5	L517 V520 I521 H524 L588 L589 G594 L595 K596	L517-L592 HydrophobicContact CD1-CD2 4.36Å; V520-L592 HydrophobicContact CG1-CD1 4.45Å; I521-L592 HydrophobicContact CD1-CB 4.36Å; I521-L592 HydrophobicContact CG1-CB 4.04Å; I521-L592 HydrophobicContact CG1-CD1 4.17Å; I521-L592 HydrophobicContact CG1-CD2 4.49Å; I521-L592 HydrophobicContact CG1-CG 4.45Å; H524-L592 HydrophobicContact CB-CD1 4.01Å; L588-L592 PolarHBondContact O-N 3.06Å; L589-L592 PolarHBondContact O-N 2.95Å; L592-G594 VanDerWaalsContact C-N 3.35Å; L592-L595 PolarHBondContact O-N 2.85Å; L592-K596 HydrophobicContact CD1-CG 4.43Å; L592-K596 HydrophobicContact CG-CD 4.46Å; L592-K596 WeakPolarHBondContact O-CB 3.13Å; L592-K596 WeakPolarHBondContact O-CG 3.4Å; L592-K596 PolarHBondContact O-N 3.4Å
593	I	97.6	Very high	98	Very high	101 Å²	101	26.7 Å²	26.7	52%	0.518	12%	0.123	S	C	.	.	H	α-helix	trans	-62	-44.2	176.7	-67.4	165.3	0	0	0	110.5	L589 R590 A591 K596 R597	L589-I593 HydrophobicContact CD1-CD1 4.15Å; L589-I593 HydrophobicContact CD1-CG1 4.36Å; L589-I593 HydrophobicContact CG-CD1 4.02Å; L589-I593 WeakPolarHBondContact O-CG1 3.38Å; L589-I593 PolarHBondContact O-N 3.37Å; R590-I593 PolarHBondContact O-N 2.8Å; A591-I593 VanDerWaalsContact C-N 3.34Å; A591-I593 PolarHBondContact O-N 2.85Å; I593-K596 PolarHBondContact O-N 3.38Å; I593-R597 PolarHBondContact O-N 2.55Å; I593-R597 VanDerWaalsContact O-N 3.09Å
594	G	97.6	Very high	97.9	Very high	8 Å²	8	26 Å²	26	8%	0.082	12%	0.119	C	C	.	.	H	α-helix	trans	-59.3	-49	175.2	0	0	0	0	0	112.3	R590 A591 L592 K596 R597 V598	R590-G594 PolarHBondContact O-N 2.8Å; A591-G594 PolarHBondContact O-N 3.01Å; A591-G594 VanDerWaalsContact O-N 3.13Å; L592-G594 VanDerWaalsContact C-N 3.35Å; G594-K596 PolarHBondContact O-N 3.36Å; G594-R597 WeakPolarHBondContact O-CA 3.25Å; G594-R597 VanDerWaalsContact O-CB 3.27Å; G594-R597 WeakPolarHBondContact O-CB 3.34Å; G594-R597 PolarHBondContact O-N 2.91Å; G594-R597 VanDerWaalsContact O-N 3.11Å; G594-V598 WeakPolarHBondContact O-CG2 3.36Å; G594-V598 PolarHBondContact O-N 3.13Å
595	L	98.4	Very high	97.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-60.5	-45.1	178.6	-69.1	171.7	0	0	0	112.3	I521 H524 L525 A528 L556 A559 A591 L592 R597 V598 I599	I521-L595 HydrophobicContact CG2-CD1 3.86Å; H524-L595 HydrophobicContact CB-CB 4.26Å; H524-L595 HydrophobicContact CB-CD1 3.99Å; L525-L595 HydrophobicContact CB-CD1 3.92Å; L525-L595 HydrophobicContact CB-CD2 4.27Å; L525-L595 HydrophobicContact CD1-CD2 3.76Å; A528-L595 HydrophobicContact CB-CB 4.46Å; A528-L595 HydrophobicContact CB-CD2 3.78Å; L556-L595 HydrophobicContact CD2-CD2 3.89Å; A559-L595 HydrophobicContact CB-CD1 3.94Å; A559-L595 HydrophobicContact CB-CD2 3.57Å; A559-L595 HydrophobicContact CB-CG 3.69Å; A591-L595 WeakPolarHBondContact O-CB 3.24Å; A591-L595 VanDerWaalsContact O-CG 3.24Å; A591-L595 WeakPolarHBondContact O-CG 3.49Å; A591-L595 PolarHBondContact O-N 3.5Å; L592-L595 PolarHBondContact O-N 2.85Å; L595-R597 PolarHBondContact O-N 3.48Å; L595-V598 PolarHBondContact O-N 3.2Å; L595-V598 VanDerWaalsContact O-N 3.13Å; L595-I599 WeakPolarHBondContact O-CG1 3.48Å; L595-I599 PolarHBondContact O-N 3.2Å
596	K	97.5	Very high	97.7	Very high	15 Å²	15	26 Å²	26	7%	0.065	12%	0.119	C	C	.	.	H	α-helix	trans	-59.1	-38.3	175.4	-74.3	-175	-178.9	-139.4	0	111.5	H524 L592 I593 G594 I599 I600 T625 D626 D627	H524-K596 WeakPolarHBondContact NE2-CE 3.34Å; L592-K596 HydrophobicContact CD1-CG 4.43Å; L592-K596 HydrophobicContact CG-CD 4.46Å; L592-K596 WeakPolarHBondContact O-CB 3.13Å; L592-K596 WeakPolarHBondContact O-CG 3.4Å; L592-K596 PolarHBondContact O-N 3.4Å; I593-K596 PolarHBondContact O-N 3.38Å; G594-K596 PolarHBondContact O-N 3.36Å; K596-I599 PolarHBondContact O-N 3.31Å; K596-I600 WeakPolarHBondContact O-CG1 3.18Å; K596-I600 PolarHBondContact O-N 3.22Å; K596-T625 HydrophobicContact CB-CG2 3.72Å; K596-T625 HydrophobicContact CD-CG2 4.07Å; K596-T625 HydrophobicContact CG-CG2 4.35Å; K596-D626 IonicContact NZ-OD1 3.18Å; K596-D626 PolarHBondContact NZ-OD1 3.37Å; K596-D626 IonicContact NZ-OD2 3.99Å; K596-D627 IonicContact NZ-OD1 3.47Å; K596-D627 PolarHBondContact NZ-OD1 3.34Å; K596-D627 IonicContact NZ-OD2 3.72Å; K596-D627 PolarHBondContact NZ-OD2 2.75Å
597	R	96.8	Very high	97.6	Very high	87 Å²	87	24 Å²	24	33%	0.328	11%	0.107	S	C	.	.	H	α-helix	trans	-62.5	-45.6	173.4	-177.8	179	-177.8	150.1	18.4	112.3	L555 I593 G594 L595 I599 I600 N601 Q618	L555-R597 HydrophobicContact CD1-CB 4.39Å; L555-R597 HydrophobicContact CD1-CG 4.31Å; I593-R597 PolarHBondContact O-N 2.55Å; I593-R597 VanDerWaalsContact O-N 3.09Å; G594-R597 WeakPolarHBondContact O-CA 3.25Å; G594-R597 VanDerWaalsContact O-CB 3.27Å; G594-R597 WeakPolarHBondContact O-CB 3.34Å; G594-R597 PolarHBondContact O-N 2.91Å; G594-R597 VanDerWaalsContact O-N 3.11Å; L595-R597 PolarHBondContact O-N 3.48Å; R597-I599 VanDerWaalsContact C-N 3.32Å; R597-I599 PolarHBondContact O-N 2.79Å; R597-I600 WeakPolarHBondContact O-CG1 3.31Å; R597-I600 PolarHBondContact O-N 2.95Å; R597-N601 WeakPolarHBondContact O-CB 3.33Å; R597-N601 VanDerWaalsContact O-CG 3.25Å; R597-N601 PolarHBondContact O-N 3.01Å; R597-N601 VanDerWaalsContact O-N 3.08Å; R597-N601 PolarHBondContact O-ND2 2.91Å; R597-Q618 PolarHBondContact NH2-O 2.88Å
598	V	97.9	Very high	97.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-59.1	-45.5	175.9	-179.3	0	0	0	0	110.7	A528 Y532 D552 L555 L556 G594 L595 N601 A602	A528-V598 HydrophobicContact CB-CB 4.32Å; A528-V598 HydrophobicContact CB-CG1 4.26Å; Y532-V598 HydrophobicContact CD2-CG1 3.8Å; Y532-V598 HydrophobicContact CG-CG1 4.19Å; D552-V598 HydrophobicContact CB-CG2 4.09Å; L555-V598 HydrophobicContact CB-CG2 3.88Å; L555-V598 HydrophobicContact CD1-CG2 4.12Å; L556-V598 HydrophobicContact CD2-CG1 4.17Å; L556-V598 HydrophobicContact CD2-CG2 4.35Å; L556-V598 HydrophobicContact CG-CG1 4.35Å; L556-V598 HydrophobicContact CG-CG2 4.35Å; G594-V598 WeakPolarHBondContact O-CG2 3.36Å; G594-V598 PolarHBondContact O-N 3.13Å; L595-V598 PolarHBondContact O-N 3.2Å; L595-V598 VanDerWaalsContact O-N 3.13Å; V598-N601 PolarHBondContact O-N 2.8Å; V598-A602 VanDerWaalsContact O-CB 3.29Å; V598-A602 WeakPolarHBondContact O-CB 3.48Å; V598-A602 PolarHBondContact O-N 3.32Å
599	I	98.1	Very high	97.2	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.01	13%	0.125	C	C	.	.	H	α-helix	trans	-60.2	-51.2	179.5	-69	166.9	0	0	0	111.1	A528 L531 L595 K596 R597 N601 A602 A603 F654 L1025 L1027	A528-I599 HydrophobicContact CB-CD1 4.17Å; A528-I599 HydrophobicContact CB-CG1 3.76Å; L531-I599 HydrophobicContact CD2-CG2 4.16Å; L595-I599 WeakPolarHBondContact O-CG1 3.48Å; L595-I599 PolarHBondContact O-N 3.2Å; K596-I599 PolarHBondContact O-N 3.31Å; R597-I599 VanDerWaalsContact C-N 3.32Å; R597-I599 PolarHBondContact O-N 2.79Å; I599-N601 VanDerWaalsContact C-N 3.3Å; I599-N601 PolarHBondContact O-N 2.78Å; I599-A602 PolarHBondContact O-N 3.29Å; I599-A603 WeakPolarHBondContact O-CB 3.1Å; I599-A603 PolarHBondContact O-N 3.07Å; I599-F654 HydrophobicContact CG2-CD1 4.48Å; I599-L1025 HydrophobicContact CD1-CD1 3.82Å; I599-L1025 HydrophobicContact CG2-CD1 4.37Å; I599-L1027 HydrophobicContact CG2-CD1 4.01Å; I599-L1027 HydrophobicContact CG2-CD2 4.43Å
600	I	97.4	Very high	96.8	Very high	15 Å²	15	30 Å²	30	8%	0.077	14%	0.135	C	C	.	.	H	α-helix	trans	-64.4	-34.6	-178.9	61.6	173.6	0	0	0	112.5	K596 R597 H604 P621 L623 T625 L1027	K596-I600 WeakPolarHBondContact O-CG1 3.18Å; K596-I600 PolarHBondContact O-N 3.22Å; R597-I600 WeakPolarHBondContact O-CG1 3.31Å; R597-I600 PolarHBondContact O-N 2.95Å; I600-H604 VanDerWaalsContact O-CB 3.28Å; I600-H604 WeakPolarHBondContact O-CB 3.39Å; I600-H604 PolarHBondContact O-N 2.95Å; I600-P621 HydrophobicContact CD1-CB 3.92Å; I600-L623 HydrophobicContact CB-CB 3.99Å; I600-L623 HydrophobicContact CG2-CB 4.01Å; I600-T625 HydrophobicContact CG2-CG2 4.32Å; I600-L1027 HydrophobicContact CG2-CD2 4.13Å
601	N	97	Very high	96.5	Very high	8 Å²	8	23.9 Å²	23.9	4%	0.043	11%	0.113	C	C	.	.	H	α-helix	trans	-73.8	-43.6	-180	-72.4	-18.5	0	0	0	111.8	P549 D552 R597 V598 I599 F605	P549-N601 HydrophobicContact CG-CB 4.19Å; D552-N601 WeakPolarHBondContact OD2-CB 3.44Å; D552-N601 PolarHBondContact OD2-ND2 3.07Å; R597-N601 WeakPolarHBondContact O-CB 3.33Å; R597-N601 VanDerWaalsContact O-CG 3.25Å; R597-N601 PolarHBondContact O-N 3.01Å; R597-N601 VanDerWaalsContact O-N 3.08Å; R597-N601 PolarHBondContact O-ND2 2.91Å; V598-N601 PolarHBondContact O-N 2.8Å; I599-N601 VanDerWaalsContact C-N 3.3Å; I599-N601 PolarHBondContact O-N 2.78Å; N601-F605 PolarHBondContact O-N 3.19Å; N601-F605 VanDerWaalsContact O-N 3.11Å
602	A	97.4	Very high	95.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.2	-45.9	172.9	0	0	0	0	0	110.8	L531 A535 V598 I599 F605 L606	L531-A602 HydrophobicContact CB-CB 4.25Å; L531-A602 HydrophobicContact CD2-CB 4.03Å; L531-A602 HydrophobicContact CG-CB 3.79Å; A535-A602 HydrophobicContact CB-CB 3.9Å; V598-A602 VanDerWaalsContact O-CB 3.29Å; V598-A602 WeakPolarHBondContact O-CB 3.48Å; V598-A602 PolarHBondContact O-N 3.32Å; I599-A602 PolarHBondContact O-N 3.29Å; A602-F605 PolarHBondContact O-N 3.33Å; A602-L606 WeakPolarHBondContact O-CB 3.32Å; A602-L606 VanDerWaalsContact O-CG 3.25Å; A602-L606 WeakPolarHBondContact O-CG 3.12Å; A602-L606 PolarHBondContact O-N 3.46Å
603	A	97.8	Very high	95.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-60.7	-48.2	177.3	0	0	0	0	0	112.1	L531 I599 F605 L606 V607 L623 L716 L1027	L531-A603 HydrophobicContact CD2-CB 4.12Å; I599-A603 WeakPolarHBondContact O-CB 3.1Å; I599-A603 PolarHBondContact O-N 3.07Å; A603-F605 VanDerWaalsContact C-N 3.32Å; A603-F605 PolarHBondContact O-N 2.9Å; A603-L606 PolarHBondContact O-N 3.23Å; A603-L606 VanDerWaalsContact O-N 3.08Å; A603-V607 WeakPolarHBondContact O-CG2 3.26Å; A603-V607 PolarHBondContact O-N 2.91Å; A603-L623 HydrophobicContact CB-CD1 3.54Å; A603-L716 HydrophobicContact CB-CD1 3.77Å; A603-L716 HydrophobicContact CB-CD2 3.97Å; A603-L1027 HydrophobicContact CB-CD1 3.87Å
604	H	96.4	Very high	95.1	Very high	17 Å²	17	31 Å²	31	8%	0.079	14%	0.141	C	C	.	.	H	α-helix	trans	-53.7	-48.9	175.5	173	-156.1	0	0	0	111.1	I600 L606 M608 Y614 R615 F622	I600-H604 VanDerWaalsContact O-CB 3.28Å; I600-H604 WeakPolarHBondContact O-CB 3.39Å; I600-H604 PolarHBondContact O-N 2.95Å; H604-L606 VanDerWaalsContact C-N 3.34Å; H604-L606 PolarHBondContact O-N 2.96Å; H604-M608 WeakPolarHBondContact O-CG 3.35Å; H604-M608 PolarHBondContact O-N 3.23Å; H604-Y614 AromaticContact CE1-CD2 3.82Å; H604-Y614 AromaticContact CE1-CE2 3.62Å; H604-Y614 AromaticContact CG-CE2 3.88Å; H604-Y614 AromaticContact ND1-CE2 3.58Å; H604-Y614 AromaticContact NE2-CD2 3.73Å; H604-Y614 AromaticContact NE2-CE2 3.92Å; H604-R615 PolarHBondContact CE1-O 2.92Å; H604-F622 HydrophobicContact CB-CB 4.13Å; H604-F622 HydrophobicContact CB-CD1 4.04Å; H604-F622 HydrophobicContact CB-CG 4.45Å; H604-F622 AromaticContact CD2-CD1 3.3Å; H604-F622 WeakPolarHBondContact CD2-CD1 3.44Å; H604-F622 AromaticContact CD2-CE1 3.91Å; H604-F622 AromaticContact CD2-CG 3.46Å; H604-F622 VanDerWaalsContact CD2-CG 3.46Å; H604-F622 WeakPolarHBondContact CD2-CG 3.29Å; H604-F622 AromaticContact CE1-CG 3.91Å; H604-F622 AromaticContact CG-CD1 3.66Å; H604-F622 AromaticContact CG-CG 3.74Å; H604-F622 WeakPolarHBondContact ND1-CB 3.32Å; H604-F622 AromaticContact NE2-CD1 3.92Å; H604-F622 AromaticContact NE2-CD2 3.92Å; H604-F622 AromaticContact NE2-CG 3.61Å
605	F	96.3	Very high	94.7	Very high	1 Å²	1	36.3 Å²	36.3	0%	0.004	16%	0.159	C	C	.	.	H	α-helix	trans	-59.4	-46	177.1	179	-99.2	0	0	0	111.7	A535 N538 A539 M544 Y548 N601 A602 A603 K611 Y614	A535-F605 HydrophobicContact CB-CD1 4.25Å; N538-F605 HydrophobicContact CB-CE1 4.02Å; A539-F605 HydrophobicContact CB-CE1 3.93Å; A539-F605 HydrophobicContact CB-CE2 4.29Å; A539-F605 HydrophobicContact CB-CZ 3.68Å; M544-F605 HydrophobicContact CE-CE2 3.55Å; M544-F605 HydrophobicContact CE-CZ 3.56Å; Y548-F605 HydrophobicContact CD2-CB 3.89Å; Y548-F605 HydrophobicContact CD2-CD1 4.27Å; Y548-F605 HydrophobicContact CD2-CD2 4.09Å; Y548-F605 AromaticContact CD2-CG 3.81Å; Y548-F605 HydrophobicContact CD2-CG 3.81Å; Y548-F605 HydrophobicContact CE2-CB 3.92Å; Y548-F605 HydrophobicContact CE2-CG 4.22Å; N601-F605 PolarHBondContact O-N 3.19Å; N601-F605 VanDerWaalsContact O-N 3.11Å; A602-F605 PolarHBondContact O-N 3.33Å; A603-F605 VanDerWaalsContact C-N 3.32Å; A603-F605 PolarHBondContact O-N 2.9Å; F605-K611 HydrophobicContact CE2-CD 4.45Å; F605-K611 HydrophobicContact CZ-CD 4.5Å; F605-K611 PolarHBondContact O-NZ 3.48Å; F605-Y614 HydrophobicContact CB-CD2 4.48Å; F605-Y614 HydrophobicContact CB-CE2 3.84Å; F605-Y614 AromaticContact CD2-CD1 3.93Å; F605-Y614 HydrophobicContact CD2-CD1 3.93Å; F605-Y614 HydrophobicContact CD2-CD2 4.16Å; F605-Y614 AromaticContact CD2-CE1 3.82Å; F605-Y614 HydrophobicContact CD2-CE1 3.82Å; F605-Y614 HydrophobicContact CD2-CE2 4.03Å; F605-Y614 HydrophobicContact CD2-CG 4.09Å; F605-Y614 AromaticContact CD2-CZ 3.85Å; F605-Y614 HydrophobicContact CE2-CD1 4.4Å; F605-Y614 HydrophobicContact CG-CE2 4.46Å
606	L	96.6	Very high	94.3	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-70.4	-39.8	-172.6	-70.8	170.2	0	0	0	113.8	L531 A535 N538 A602 A603 H604 K611 L716 F1042	L531-L606 HydrophobicContact CD1-CD1 3.46Å; L531-L606 VanDerWaalsContact CD1-CD1 3.46Å; L531-L606 HydrophobicContact CG-CD1 3.89Å; A535-L606 HydrophobicContact CB-CD1 4.09Å; A535-L606 HydrophobicContact CB-CD2 4.27Å; A535-L606 HydrophobicContact CB-CG 4.03Å; N538-L606 HydrophobicContact CB-CD2 4.22Å; A602-L606 WeakPolarHBondContact O-CB 3.32Å; A602-L606 VanDerWaalsContact O-CG 3.25Å; A602-L606 WeakPolarHBondContact O-CG 3.12Å; A602-L606 PolarHBondContact O-N 3.46Å; A603-L606 PolarHBondContact O-N 3.23Å; A603-L606 VanDerWaalsContact O-N 3.08Å; H604-L606 VanDerWaalsContact C-N 3.34Å; H604-L606 PolarHBondContact O-N 2.96Å; L606-K611 PolarHBondContact O-NZ 3.04Å; L606-L716 HydrophobicContact CB-CD1 3.87Å; L606-L716 HydrophobicContact CD1-CD1 4.16Å; L606-F1042 HydrophobicContact CB-CB 4.33Å; L606-F1042 HydrophobicContact CB-CD1 4.1Å; L606-F1042 HydrophobicContact CB-CD2 4.32Å; L606-F1042 HydrophobicContact CB-CG 3.99Å; L606-F1042 HydrophobicContact CD1-CD1 3.96Å; L606-F1042 HydrophobicContact CD1-CE1 3.73Å; L606-F1042 HydrophobicContact CD1-CZ 4.25Å; L606-F1042 HydrophobicContact CD2-CD1 4.36Å; L606-F1042 HydrophobicContact CD2-CD2 4.13Å; L606-F1042 HydrophobicContact CD2-CE1 3.96Å; L606-F1042 HydrophobicContact CD2-CE2 3.72Å; L606-F1042 HydrophobicContact CD2-CG 4.42Å; L606-F1042 HydrophobicContact CD2-CZ 3.62Å; L606-F1042 HydrophobicContact CG-CD1 4.37Å; L606-F1042 HydrophobicContact CG-CE1 4.28Å; L606-F1042 HydrophobicContact CG-CZ 4.42Å
607	V	96.9	Very high	93.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-80.9	-11.6	-177.6	-57.6	0	0	0	0	114.6	A603 K609 V652 L716 L1039 Q1040	A603-V607 WeakPolarHBondContact O-CG2 3.26Å; A603-V607 PolarHBondContact O-N 2.91Å; V607-K609 PolarHBondContact O-N 3.28Å; V607-V652 HydrophobicContact CG1-CG1 3.98Å; V607-V652 HydrophobicContact CG1-CG2 4.45Å; V607-V652 HydrophobicContact CG2-CG2 4.45Å; V607-L716 HydrophobicContact CG1-CB 3.72Å; V607-L716 HydrophobicContact CG1-CD1 3.79Å; V607-L716 HydrophobicContact CG1-CG 4.37Å; V607-L1039 HydrophobicContact CG2-CD2 4.15Å; V607-L1039 CarbonylContact O-C 3.52Å; V607-L1039 WeakPolarHBondContact O-CA 3.38Å; V607-Q1040 WeakPolarHBondContact CA-O 3.43Å; V607-Q1040 PolarHBondContact O-N 3.33Å
608	M	95	Very high	93	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.015	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-65.4	120.4	177.9	-74.7	-69.4	-68	0	0	110.9	H604 K611 F613 Y614 P1037 L1039	H604-M608 WeakPolarHBondContact O-CG 3.35Å; H604-M608 PolarHBondContact O-N 3.23Å; M608-K611 HydrophobicContact CB-CD 4.2Å; M608-K611 WeakPolarHBondContact O-CD 3.3Å; M608-K611 WeakPolarHBondContact O-CE 3.42Å; M608-K611 PolarHBondContact O-NZ 2.72Å; M608-F613 HydrophobicContact CE-CB 4.12Å; M608-Y614 HydrophobicContact CG-CD2 4.22Å; M608-P1037 HydrophobicContact CE-CB 3.7Å; M608-P1037 HydrophobicContact CE-CG 4.07Å; M608-P1037 HydrophobicContact SD-CB 4.18Å; M608-L1039 HydrophobicContact SD-CD2 3.81Å
609	K	92.6	Very high	92.4	Very high	127 Å²	127	53.2 Å²	53.2	55%	0.552	25%	0.245	S	C	*	.	S	Bend	trans	-66.6	-51.3	-178.8	-178.4	170.5	-174.5	172	0	112.3	V607 P1038 Q1040	V607-K609 PolarHBondContact O-N 3.28Å; K609-P1038 HydrophobicContact CB-CB 4.17Å; K609-P1038 WeakPolarHBondContact CB-O 3.37Å; K609-P1038 HydrophobicContact CD-CB 4.08Å; K609-P1038 PolarHBondContact N-O 3.34Å; K609-P1038 VanDerWaalsContact N-O 3.1Å; K609-Q1040 HydrophobicContact CB-CB 4.25Å; K609-Q1040 HydrophobicContact CB-CG 4.23Å
610	N	91.3	Very high	91.9	Very high	61 Å²	61	58.7 Å²	58.7	33%	0.326	27%	0.271	S	S	.	.	S	Bend	trans	-106	113.4	170.7	-178.4	-3.5	0	0	0	109.6	E612 F613	N610-E612 VanDerWaalsContact C-N 3.26Å; N610-E612 PolarHBondContact ND2-OE2 3.04Å; N610-E612 VanDerWaalsContact ND2-OE2 3.15Å; N610-E612 PolarHBondContact O-N 2.77Å; N610-E612 VanDerWaalsContact OD1-CB 3.3Å; N610-E612 WeakPolarHBondContact OD1-CB 3.4Å; N610-E612 WeakPolarHBondContact OD1-CG 3.1Å; N610-E612 PolarHBondContact OD1-N 2.84Å; N610-F613 HydrophobicContact CB-CD2 3.86Å; N610-F613 HydrophobicContact CB-CE2 4.14Å; N610-F613 WeakPolarHBondContact ND2-CE2 3.43Å; N610-F613 PolarHBondContact O-N 3.03Å
611	K	90.4	Very high	91.7	Very high	45 Å²	45	60.5 Å²	60.5	20%	0.196	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-71.1	-16.4	-178.1	-53.7	-60.8	-173.2	-156.2	0	114	M544 F605 L606 M608 F613 Y614	M544-K611 HydrophobicContact CE-CB 3.22Å; M544-K611 HydrophobicContact CE-CD 4.12Å; M544-K611 HydrophobicContact CE-CG 3.5Å; M544-K611 VanDerWaalsContact CE-CG 3.5Å; M544-K611 HydrophobicContact SD-CB 3.59Å; M544-K611 VanDerWaalsContact SD-CB 3.59Å; F605-K611 HydrophobicContact CE2-CD 4.45Å; F605-K611 HydrophobicContact CZ-CD 4.5Å; F605-K611 PolarHBondContact O-NZ 3.48Å; L606-K611 PolarHBondContact O-NZ 3.04Å; M608-K611 HydrophobicContact CB-CD 4.2Å; M608-K611 WeakPolarHBondContact O-CD 3.3Å; M608-K611 WeakPolarHBondContact O-CE 3.42Å; M608-K611 PolarHBondContact O-NZ 2.72Å; K611-F613 PolarHBondContact O-N 3.15Å; K611-Y614 VanDerWaalsContact O-CB 3.25Å; K611-Y614 WeakPolarHBondContact O-CB 3.3Å; K611-Y614 PolarHBondContact O-N 3.15Å
612	E	86.6	Confident	91.5	Very high	132 Å²	132	60.9 Å²	60.9	62%	0.617	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-61.5	-32.1	176.3	-65.4	175.4	156.5	0	0	112.4	N610 Y614 R615	N610-E612 VanDerWaalsContact C-N 3.26Å; N610-E612 PolarHBondContact ND2-OE2 3.04Å; N610-E612 VanDerWaalsContact ND2-OE2 3.15Å; N610-E612 PolarHBondContact O-N 2.77Å; N610-E612 VanDerWaalsContact OD1-CB 3.3Å; N610-E612 WeakPolarHBondContact OD1-CB 3.4Å; N610-E612 WeakPolarHBondContact OD1-CG 3.1Å; N610-E612 PolarHBondContact OD1-N 2.84Å; E612-Y614 VanDerWaalsContact C-N 3.35Å; E612-R615 PolarHBondContact O-NH1 2.87Å; E612-R615 PolarHBondContact O-NH2 3.42Å
613	F	87.9	Confident	91.5	Very high	128 Å²	128	60.9 Å²	60.9	56%	0.561	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-83.3	-8.1	176.5	-60.4	-65.9	0	0	0	113.6	M608 N610 K611 R615	M608-F613 HydrophobicContact CE-CB 4.12Å; N610-F613 HydrophobicContact CB-CD2 3.86Å; N610-F613 HydrophobicContact CB-CE2 4.14Å; N610-F613 WeakPolarHBondContact ND2-CE2 3.43Å; N610-F613 PolarHBondContact O-N 3.03Å; K611-F613 PolarHBondContact O-N 3.15Å; F613-R615 PolarHBondContact O-N 3.34Å
614	Y	92	Very high	91.3	Very high	1 Å²	1	62.7 Å²	62.7	0%	0.004	29%	0.293	C	S	.	.			trans	-63.8	126.8	177.9	175.9	-99.6	0	0	0	110.4	R547 P549 H604 F605 M608 K611 E612 F616	R547-Y614 WeakPolarHBondContact O-CE1 3.31Å; P549-Y614 WeakPolarHBondContact CD-OH 3.24Å; H604-Y614 AromaticContact CE1-CD2 3.82Å; H604-Y614 AromaticContact CE1-CE2 3.62Å; H604-Y614 AromaticContact CG-CE2 3.88Å; H604-Y614 AromaticContact ND1-CE2 3.58Å; H604-Y614 AromaticContact NE2-CD2 3.73Å; H604-Y614 AromaticContact NE2-CE2 3.92Å; F605-Y614 HydrophobicContact CB-CD2 4.48Å; F605-Y614 HydrophobicContact CB-CE2 3.84Å; F605-Y614 AromaticContact CD2-CD1 3.93Å; F605-Y614 HydrophobicContact CD2-CD1 3.93Å; F605-Y614 HydrophobicContact CD2-CD2 4.16Å; F605-Y614 AromaticContact CD2-CE1 3.82Å; F605-Y614 HydrophobicContact CD2-CE1 3.82Å; F605-Y614 HydrophobicContact CD2-CE2 4.03Å; F605-Y614 HydrophobicContact CD2-CG 4.09Å; F605-Y614 AromaticContact CD2-CZ 3.85Å; F605-Y614 HydrophobicContact CE2-CD1 4.4Å; F605-Y614 HydrophobicContact CG-CE2 4.46Å; M608-Y614 HydrophobicContact CG-CD2 4.22Å; K611-Y614 VanDerWaalsContact O-CB 3.25Å; K611-Y614 WeakPolarHBondContact O-CB 3.3Å; K611-Y614 PolarHBondContact O-N 3.15Å; E612-Y614 VanDerWaalsContact C-N 3.35Å; Y614-F616 HydrophobicContact CE1-CB 4.21Å
615	R	88.4	Confident	91.1	Very high	119 Å²	119	63.1 Å²	63.1	45%	0.449	30%	0.297	S	S	.	.			trans	-136.5	123.3	174.1	-63.9	-65.8	179.4	-90.6	-3.9	108	H604 E612 F613 Y617	H604-R615 PolarHBondContact CE1-O 2.92Å; E612-R615 PolarHBondContact O-NH1 2.87Å; E612-R615 PolarHBondContact O-NH2 3.42Å; F613-R615 PolarHBondContact O-N 3.34Å; R615-Y617 HydrophobicContact CB-CD2 4.18Å; R615-Y617 HydrophobicContact CB-CE2 3.46Å; R615-Y617 VanDerWaalsContact CB-CE2 3.46Å; R615-Y617 HydrophobicContact CG-CE2 4.4Å
616	F	89.7	Confident	90.6	Very high	58 Å²	58	64.6 Å²	64.6	25%	0.254	31%	0.305	S	S	.	.			trans	-86.6	125.7	172.6	175.8	-107.4	0	0	0	109.7	P549 Y614 Q618	P549-F616 HydrophobicContact CB-CD1 3.91Å; P549-F616 HydrophobicContact CB-CD2 3.96Å; P549-F616 HydrophobicContact CB-CE1 3.64Å; P549-F616 HydrophobicContact CB-CE2 3.7Å; P549-F616 HydrophobicContact CB-CG 4.05Å; P549-F616 HydrophobicContact CB-CZ 3.52Å; P549-F616 HydrophobicContact CG-CD1 4.48Å; P549-F616 HydrophobicContact CG-CD2 3.7Å; P549-F616 HydrophobicContact CG-CE1 4.45Å; P549-F616 HydrophobicContact CG-CE2 3.67Å; P549-F616 HydrophobicContact CG-CG 4.11Å; P549-F616 HydrophobicContact CG-CZ 4.05Å; Y614-F616 HydrophobicContact CE1-CB 4.21Å; F616-Q618 HydrophobicContact CE1-CB 4.17Å; F616-Q618 HydrophobicContact CZ-CB 4.33Å
617	Y	85.7	Confident	90.5	Very high	136 Å²	136	65.5 Å²	65.5	53%	0.533	31%	0.309	S	S	.	.			trans	-124	118.7	173.1	-65.2	-74.7	0	0	0	108.9	R615 T619 E620	R615-Y617 HydrophobicContact CB-CD2 4.18Å; R615-Y617 HydrophobicContact CB-CE2 3.46Å; R615-Y617 VanDerWaalsContact CB-CE2 3.46Å; R615-Y617 HydrophobicContact CG-CE2 4.4Å; Y617-T619 VanDerWaalsContact C-N 3.28Å; Y617-T619 PolarHBondContact O-N 3.41Å; Y617-E620 PolarHBondContact O-N 2.9Å
618	Q	81.4	Confident	90.4	Very high	136 Å²	136	72.7 Å²	72.7	64%	0.636	34%	0.336	S	S	*	.	S	Bend	trans	-65	-31.3	-172.9	-166.4	179.2	10	0	0	113.3	R597 F616	R597-Q618 PolarHBondContact NH2-O 2.88Å; F616-Q618 HydrophobicContact CE1-CB 4.17Å; F616-Q618 HydrophobicContact CZ-CB 4.33Å
619	T	86	Confident	90.3	Very high	126 Å²	126	74.3 Å²	74.3	77%	0.773	34%	0.343	S	S	*	.	S	Bend	trans	-99.4	-11.9	-175.5	53.6	0	0	0	0	113.9	Y617	Y617-T619 VanDerWaalsContact C-N 3.28Å; Y617-T619 PolarHBondContact O-N 3.41Å
620	E	87.6	Confident	90.4	Very high	118 Å²	118	72.2 Å²	72.2	55%	0.551	35%	0.349	S	S	*	.	S	Bend	trans	-126	86.6	-178.3	-71.5	-169.5	-166.2	0	0	110.1	Y617 K1032	Y617-E620 PolarHBondContact O-N 2.9Å; E620-K1032 IonicContact OE2-NZ 2.64Å; E620-K1032 PolarHBondContact OE2-NZ 3.35Å
621	P	91.8	Very high	90.7	Very high	52 Å²	52	72.4 Å²	72.4	34%	0.338	35%	0.352	S	S	.	.			trans	-61	153.1	177.8	24.6	-31.6	0	0	0	111.5	I600 L1030	I600-P621 HydrophobicContact CD1-CB 3.92Å; P621-L1030 HydrophobicContact CB-CD1 4.31Å; P621-L1030 HydrophobicContact CG-CD1 3.84Å; P621-L1030 VanDerWaalsContact O-CD1 3.3Å; P621-L1030 WeakPolarHBondContact O-CD1 3.21Å
622	F	94.7	Very high	90.9	Very high	16 Å²	16	71.2 Å²	71.2	7%	0.07	35%	0.347	C	S	.	.	S	Bend	trans	-90.4	-36.6	176	-178.7	-102.6	0	0	0	112.2	H604 V1029 L1030 I1036 L1039	H604-F622 HydrophobicContact CB-CB 4.13Å; H604-F622 HydrophobicContact CB-CD1 4.04Å; H604-F622 HydrophobicContact CB-CG 4.45Å; H604-F622 AromaticContact CD2-CD1 3.3Å; H604-F622 WeakPolarHBondContact CD2-CD1 3.44Å; H604-F622 AromaticContact CD2-CE1 3.91Å; H604-F622 AromaticContact CD2-CG 3.46Å; H604-F622 VanDerWaalsContact CD2-CG 3.46Å; H604-F622 WeakPolarHBondContact CD2-CG 3.29Å; H604-F622 AromaticContact CE1-CG 3.91Å; H604-F622 AromaticContact CG-CD1 3.66Å; H604-F622 AromaticContact CG-CG 3.74Å; H604-F622 WeakPolarHBondContact ND1-CB 3.32Å; H604-F622 AromaticContact NE2-CD1 3.92Å; H604-F622 AromaticContact NE2-CD2 3.92Å; H604-F622 AromaticContact NE2-CG 3.61Å; F622-V1029 HydrophobicContact CD1-CG1 4.4Å; F622-V1029 HydrophobicContact CE1-CG1 3.82Å; F622-V1029 HydrophobicContact CE1-CG2 4.13Å; F622-V1029 HydrophobicContact CE2-CG1 3.97Å; F622-V1029 HydrophobicContact CZ-CG1 3.57Å; F622-V1029 HydrophobicContact CZ-CG2 4.49Å; F622-L1030 PolarHBondContact O-N 2.97Å; F622-I1036 HydrophobicContact CE2-CD1 4.49Å; F622-I1036 HydrophobicContact CE2-CG2 4.39Å; F622-I1036 HydrophobicContact CZ-CG2 3.94Å; F622-L1039 HydrophobicContact CE1-CD1 4.24Å; F622-L1039 HydrophobicContact CE1-CD2 3.98Å; F622-L1039 HydrophobicContact CZ-CD1 4.31Å; F622-L1039 HydrophobicContact CZ-CD2 3.87Å
623	L	95.7	Very high	91.3	Very high	1 Å²	1	67.5 Å²	67.5	1%	0.005	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-111.2	150.5	175.2	-55.6	168.5	0	0	0	109.8	I600 A603 V652 L1027 P1028 V1029	I600-L623 HydrophobicContact CB-CB 3.99Å; I600-L623 HydrophobicContact CG2-CB 4.01Å; A603-L623 HydrophobicContact CB-CD1 3.54Å; L623-V652 HydrophobicContact CD2-CG2 3.99Å; L623-L1027 HydrophobicContact CB-CB 4.34Å; L623-L1027 HydrophobicContact CD1-CB 4.21Å; L623-L1027 HydrophobicContact CD1-CD1 4.23Å; L623-P1028 CarbonylContact C-O 3.54Å; L623-P1028 WeakPolarHBondContact CA-O 3.25Å; L623-V1029 HydrophobicContact CD2-CB 4.21Å; L623-V1029 HydrophobicContact CD2-CG2 3.52Å
624	E	94.1	Very high	91.7	Very high	38 Å²	38	62.6 Å²	62.6	18%	0.178	31%	0.313	C	S	.	.			trans	-96.2	160.2	168.7	-169.5	166.8	-156.2	0	0	110.6	R628 T639 L1027 P1028 L1030	E624-R628 IonicContact OE1-CZ 3.85Å; E624-R628 IonicContact OE1-NE 3.49Å; E624-R628 IonicContact OE1-NH2 2.67Å; E624-R628 PolarHBondContact OE1-NH2 2.83Å; E624-T639 HydrophobicContact CG-CG2 4.06Å; E624-T639 WeakPolarHBondContact OE2-CG2 3.48Å; E624-L1027 WeakPolarHBondContact O-CA 3.26Å; E624-P1028 PolarHBondContact N-O 3Å; E624-L1030 HydrophobicContact CB-CD2 4.17Å; E624-L1030 HydrophobicContact CB-CG 4.27Å
625	T	92.5	Very high	91.9	Very high	25 Å²	25	65 Å²	65	15%	0.153	33%	0.326	C	S	.	.			trans	-80.4	159.2	176.5	60.1	0	0	0	0	111.7	K596 I600 D627 T639	K596-T625 HydrophobicContact CB-CG2 3.72Å; K596-T625 HydrophobicContact CD-CG2 4.07Å; K596-T625 HydrophobicContact CG-CG2 4.35Å; I600-T625 HydrophobicContact CG2-CG2 4.32Å; T625-D627 PolarHBondContact OG1-O 3.44Å; T625-T639 WeakPolarHBondContact O-CB 3.39Å; T625-T639 PolarHBondContact O-OG1 3.07Å
626	D	86.5	Confident	92.2	Very high	33 Å²	33	61.8 Å²	61.8	18%	0.176	32%	0.32	C	S	.	.	S	Bend	trans	-65.9	-34.1	179.4	61.4	-40.8	0	0	0	113.9	K596 T639 A1026	K596-D626 IonicContact NZ-OD1 3.18Å; K596-D626 PolarHBondContact NZ-OD1 3.37Å; K596-D626 IonicContact NZ-OD2 3.99Å; D626-T639 PolarHBondContact O-N 2.72Å; D626-T639 VanDerWaalsContact O-N 3.09Å; D626-T639 PolarHBondContact O-OG1 3.41Å; D626-A1026 WeakPolarHBondContact CA-O 3.31Å; D626-A1026 VanDerWaalsContact CB-O 3.28Å; D626-A1026 WeakPolarHBondContact CB-O 3.5Å; D626-A1026 PolarHBondContact N-O 2.84Å
627	D	94.2	Very high	92.5	Very high	20 Å²	20	65.6 Å²	65.6	11%	0.107	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	174.2	175.8	75.6	42.9	0	0	0	111.8	K596 T625 P636 Q637	K596-D627 IonicContact NZ-OD1 3.47Å; K596-D627 PolarHBondContact NZ-OD1 3.34Å; K596-D627 IonicContact NZ-OD2 3.72Å; K596-D627 PolarHBondContact NZ-OD2 2.75Å; T625-D627 PolarHBondContact OG1-O 3.44Å; D627-P636 HydrophobicContact CB-CB 3.97Å; D627-P636 VanDerWaalsContact OD2-CB 3.32Å; D627-P636 WeakPolarHBondContact OD2-CB 3.41Å; D627-Q637 CarbonylContact C-O 3.58Å; D627-Q637 VanDerWaalsContact CA-O 3.26Å; D627-Q637 WeakPolarHBondContact CA-O 3.45Å; D627-Q637 WeakPolarHBondContact CB-O 3.47Å
628	R	93.3	Very high	92.8	Very high	151 Å²	151	64.4 Å²	64.4	57%	0.57	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.5	147.2	169.1	-62.6	-178.1	178.9	172.2	1.3	111.2	E624 Q637	E624-R628 IonicContact OE1-CZ 3.85Å; E624-R628 IonicContact OE1-NE 3.49Å; E624-R628 IonicContact OE1-NH2 2.67Å; E624-R628 PolarHBondContact OE1-NH2 2.83Å; R628-Q637 PolarHBondContact N-O 3.37Å; R628-Q637 PolarHBondContact O-N 3.39Å
629	R	94.9	Very high	93.4	Very high	38 Å²	38	58.8 Å²	58.8	14%	0.143	31%	0.308	C	S	.	.			trans	-118.9	126.8	170.5	-70	175.9	-175.6	-108.1	9.9	109	L589 S634 P636	L589-R629 HydrophobicContact CD1-CB 3.83Å; R629-S634 PolarHBondContact NH1-O 3.1Å; R629-P636 HydrophobicContact CG-CB 4.14Å
630	A	93.9	Very high	93.8	Very high	82 Å²	82	55.8 Å²	55.8	68%	0.678	29%	0.287	S	S	*	.	S	Bend	trans	-75.1	-41.8	-177.2	0	0	0	0	0	111.6	S634	A630-S634 PolarHBondContact N-OG 3.28Å; A630-S634 VanDerWaalsContact N-OG 3.15Å
631	T	96.4	Very high	94.2	Very high	66 Å²	66	50.5 Å²	50.5	41%	0.405	26%	0.263	S	S	.	.	S	Bend	trans	-137	164.4	-179.7	60	0	0	0	0	110.3	D633 S634	T631-D633 VanDerWaalsContact CB-OD1 3.28Å; T631-D633 WeakPolarHBondContact CB-OD1 3.14Å; T631-D633 PolarHBondContact O-N 2.65Å; T631-D633 VanDerWaalsContact O-N 3.12Å; T631-D633 PolarHBondContact OG1-OD1 2.96Å; T631-S634 PolarHBondContact N-OG 2.92Å; T631-S634 PolarHBondContact O-N 3.31Å; T631-S634 VanDerWaalsContact O-N 3.14Å; T631-S634 PolarHBondContact O-OG 2.94Å; T631-S634 WeakPolarHBondContact OG1-CB 3.08Å
632	Q	95.9	Very high	94.3	Very high	19 Å²	19	54.5 Å²	54.5	9%	0.089	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-23.2	-178.4	61.2	78	3.2	0	0	112.9	F513 Y514 G585 L589	F513-Q632 WeakPolarHBondContact CE1-O 3.49Å; Y514-Q632 VanDerWaalsContact CZ-OE1 3.27Å; Y514-Q632 PolarHBondContact OH-NE2 2.96Å; Y514-Q632 VanDerWaalsContact OH-NE2 3.16Å; Y514-Q632 PolarHBondContact OH-OE1 3.5Å; G585-Q632 VanDerWaalsContact O-CB 3.31Å; G585-Q632 WeakPolarHBondContact O-CB 3.32Å; L589-Q632 HydrophobicContact CB-CB 4.23Å; L589-Q632 HydrophobicContact CD2-CB 4.27Å
633	D	95.2	Very high	94.2	Very high	55 Å²	55	54.1 Å²	54.1	29%	0.294	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	14.9	-177.7	66.1	-22.6	0	0	0	113.8	T631 K981	T631-D633 VanDerWaalsContact CB-OD1 3.28Å; T631-D633 WeakPolarHBondContact CB-OD1 3.14Å; T631-D633 PolarHBondContact O-N 2.65Å; T631-D633 VanDerWaalsContact O-N 3.12Å; T631-D633 PolarHBondContact OG1-OD1 2.96Å; D633-K981 HydrophobicContact CB-CD 3.79Å; D633-K981 HydrophobicContact CB-CG 4.13Å; D633-K981 WeakPolarHBondContact OD2-CE 3.43Å; D633-K981 IonicContact OD2-NZ 2.62Å; D633-K981 PolarHBondContact OD2-NZ 2.91Å
634	S	96.1	Very high	93.8	Very high	24 Å²	24	58.8 Å²	58.8	17%	0.168	30%	0.301	C	S	.	.	S	Bend	trans	-98.7	143.4	177.3	67	0	0	0	0	112.5	R629 A630 T631	R629-S634 PolarHBondContact NH1-O 3.1Å; A630-S634 PolarHBondContact N-OG 3.28Å; A630-S634 VanDerWaalsContact N-OG 3.15Å; T631-S634 PolarHBondContact N-OG 2.92Å; T631-S634 PolarHBondContact O-N 3.31Å; T631-S634 VanDerWaalsContact O-N 3.14Å; T631-S634 PolarHBondContact O-OG 2.94Å; T631-S634 WeakPolarHBondContact OG1-CB 3.08Å
635	L	95.9	Very high	93.2	Very high	53 Å²	53	61.5 Å²	61.5	28%	0.277	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-66.6	149.9	167.5	-68	174	0	0	0	110.2	F513 L874 K982 A984	F513-L635 HydrophobicContact CE2-CD2 4.12Å; L635-L874 HydrophobicContact CD1-CD1 3.72Å; L635-K982 HydrophobicContact CD1-CB 4.4Å; L635-K982 HydrophobicContact CD1-CD 3.99Å; L635-K982 HydrophobicContact CD1-CG 4.03Å; L635-A984 HydrophobicContact CD2-CB 4.16Å
636	P	95.2	Very high	92.8	Very high	51 Å²	51	64.7 Å²	64.7	33%	0.331	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-65.9	137.6	179.8	28.1	-31.2	0	0	0	111	D627 R629	D627-P636 HydrophobicContact CB-CB 3.97Å; D627-P636 VanDerWaalsContact OD2-CB 3.32Å; D627-P636 WeakPolarHBondContact OD2-CB 3.41Å; R629-P636 HydrophobicContact CG-CB 4.14Å
637	Q	94.5	Very high	92.9	Very high	138 Å²	138	64.4 Å²	64.4	65%	0.645	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.1	115.8	171.2	-65.8	-178.3	-3.8	0	0	108.4	D627 R628	D627-Q637 CarbonylContact C-O 3.58Å; D627-Q637 VanDerWaalsContact CA-O 3.26Å; D627-Q637 WeakPolarHBondContact CA-O 3.45Å; D627-Q637 WeakPolarHBondContact CB-O 3.47Å; R628-Q637 PolarHBondContact N-O 3.37Å; R628-Q637 PolarHBondContact O-N 3.39Å
638	R	93.6	Very high	92.7	Very high	110 Å²	110	65.6 Å²	65.6	42%	0.415	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	144	-178.2	-59.4	-176	66.5	-168.8	0.1	111.1	T666 L668	R638-T666 PolarHBondContact NH2-O 3.27Å; R638-L668 HydrophobicContact CB-CD1 3.7Å; R638-L668 HydrophobicContact CB-CG 4.15Å
639	T	93.6	Very high	92.8	Very high	18 Å²	18	60.6 Å²	60.6	11%	0.11	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-70.3	130.4	178.5	-59.5	0	0	0	0	111.2	E624 T625 D626 P1028	E624-T639 HydrophobicContact CG-CG2 4.06Å; E624-T639 WeakPolarHBondContact OE2-CG2 3.48Å; T625-T639 WeakPolarHBondContact O-CB 3.39Å; T625-T639 PolarHBondContact O-OG1 3.07Å; D626-T639 PolarHBondContact O-N 2.72Å; D626-T639 VanDerWaalsContact O-N 3.09Å; D626-T639 PolarHBondContact O-OG1 3.41Å; T639-P1028 HydrophobicContact CG2-CG 4.46Å
640	L	95	Very high	92.8	Very high	63 Å²	63	61.2 Å²	61.2	33%	0.33	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	123.3	171.9	179.3	65	0	0	0	109.6	E642 L668 V669 V702	L640-E642 HydrophobicContact CD2-CG 4.46Å; L640-E642 PolarHBondContact O-N 2.93Å; L640-L668 HydrophobicContact CD1-CB 4.14Å; L640-V669 VanDerWaalsContact CD1-C 3.48Å; L640-V702 HydrophobicContact CD1-CG1 4.02Å; L640-V702 HydrophobicContact CD1-CG2 4.25Å; L640-V702 HydrophobicContact CD2-CG2 4.47Å
641	I	95.3	Very high	92.9	Very high	7 Å²	7	57.3 Å²	57.3	4%	0.036	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	102	175.3	-55.4	-177.4	0	0	0	108.4	L643 R649 L651 V667 L668 V669 L721 P1028	I641-L643 HydrophobicContact CG2-CD2 3.91Å; I641-L643 PolarHBondContact O-N 2.78Å; I641-R649 HydrophobicContact CG2-CB 4.3Å; I641-R649 HydrophobicContact CG2-CG 3.56Å; I641-L651 HydrophobicContact CD1-CD1 4.17Å; I641-V667 HydrophobicContact CD1-CB 3.88Å; I641-V667 HydrophobicContact CD1-CG1 4.09Å; I641-V667 HydrophobicContact CD1-CG2 4.16Å; I641-L668 WeakPolarHBondContact CB-O 3.39Å; I641-L668 PolarHBondContact N-O 3.5Å; I641-V669 WeakPolarHBondContact O-CA 3.31Å; I641-L721 HydrophobicContact CD1-CD2 4.27Å; I641-L721 HydrophobicContact CG2-CD2 4.27Å; I641-P1028 HydrophobicContact CD1-CB 4.41Å; I641-P1028 HydrophobicContact CD1-CG 3.87Å; I641-P1028 HydrophobicContact CG1-CB 4.38Å; I641-P1028 HydrophobicContact CG1-CG 3.89Å
642	E	94	Very high	93	Very high	137 Å²	137	54.2 Å²	54.2	64%	0.64	30%	0.297	S	S	*	.			trans	-72.9	117.8	174.6	-66.1	178.9	-177.5	0	0	110.5	L640	L640-E642 HydrophobicContact CD2-CG 4.46Å; L640-E642 PolarHBondContact O-N 2.93Å
643	L	93.1	Very high	93.1	Very high	8 Å²	8	53.3 Å²	53.3	4%	0.042	29%	0.293	C	S	.	.			trans	-95.9	132.8	173.6	-54.4	-175.2	0	0	0	109.2	I641 R649 V669 N670 T671 V674 L721 D723	I641-L643 HydrophobicContact CG2-CD2 3.91Å; I641-L643 PolarHBondContact O-N 2.78Å; L643-R649 HydrophobicContact CD2-CB 3.54Å; L643-R649 HydrophobicContact CD2-CG 4.21Å; L643-V669 HydrophobicContact CD1-CB 4.46Å; L643-V669 HydrophobicContact CD1-CG1 4.13Å; L643-V669 HydrophobicContact CG-CG1 4.45Å; L643-N670 PolarHBondContact N-OD1 3.16Å; L643-N670 PolarHBondContact O-ND2 2.68Å; L643-T671 HydrophobicContact CB-CG2 4.01Å; L643-T671 HydrophobicContact CD1-CG2 3.89Å; L643-T671 HydrophobicContact CG-CG2 4.35Å; L643-V674 HydrophobicContact CD1-CG1 4.25Å; L643-V674 HydrophobicContact CD1-CG2 4.32Å; L643-L721 HydrophobicContact CD1-CB 4.35Å; L643-L721 HydrophobicContact CD2-CB 3.61Å; L643-L721 HydrophobicContact CD2-CD2 4.33Å; L643-D723 HydrophobicContact CB-CB 4.08Å
644	D	85.9	Confident	93.3	Very high	99 Å²	99	50.7 Å²	50.7	53%	0.529	28%	0.279	S	S	.	.	B	Isolated β-bridge	trans	-114.1	132.6	179.4	-173.1	-29.8	0	0	0	108.7	A646 G647	D644-A646 PolarHBondContact O-N 3.39Å; D644-A646 VanDerWaalsContact O-N 3.08Å; D644-A646 VanDerWaalsContact OD1-CB 3.27Å; D644-A646 WeakPolarHBondContact OD1-CB 3.32Å; D644-A646 PolarHBondContact OD1-N 2.9Å; D644-G647 PolarHBondContact O-N 3.13Å
645	P	82.6	Confident	93.4	Very high	95 Å²	95	49.5 Å²	49.5	62%	0.617	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-23.3	171.7	-26.9	34.6	0	0	0	114.9	G647	P645-G647 VanDerWaalsContact C-N 3.32Å; P645-G647 PolarHBondContact O-N 2.88Å
646	A	84.7	Confident	93.4	Very high	91 Å²	91	47.2 Å²	47.2	75%	0.752	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-17.9	-177.4	0	0	0	0	0	114.5	D644	D644-A646 PolarHBondContact O-N 3.39Å; D644-A646 VanDerWaalsContact O-N 3.08Å; D644-A646 VanDerWaalsContact OD1-CB 3.27Å; D644-A646 WeakPolarHBondContact OD1-CB 3.32Å; D644-A646 PolarHBondContact OD1-N 2.9Å
647	G	87.4	Confident	93.4	Very high	28 Å²	28	45.5 Å²	45.5	29%	0.289	25%	0.247	S	C	.	.	B	Isolated β-bridge	trans	175.5	174.7	179.5	0	0	0	0	0	115.7	D644 P645	D644-G647 PolarHBondContact O-N 3.13Å; P645-G647 VanDerWaalsContact C-N 3.32Å; P645-G647 PolarHBondContact O-N 2.88Å
648	P	90.8	Very high	93.4	Very high	45 Å²	45	39.4 Å²	39.4	29%	0.292	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-70.4	148.3	-177.3	24.6	-30	0	0	0	113	Y650 H720 L721 Y722	P648-Y650 HydrophobicContact CB-CE2 4.48Å; P648-Y650 HydrophobicContact CG-CE2 4.03Å; P648-H720 HydrophobicContact CB-CB 4.38Å; P648-L721 WeakPolarHBondContact CA-O 3.23Å; P648-Y722 HydrophobicContact CB-CD1 4.18Å; P648-Y722 HydrophobicContact CB-CE1 3.62Å; P648-Y722 HydrophobicContact CB-CE2 3.98Å; P648-Y722 HydrophobicContact CG-CE1 3.99Å
649	R	93.9	Very high	93.4	Very high	46 Å²	46	36 Å²	36	17%	0.174	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	121	160.5	-159	71.7	-133.6	-166.5	-40.2	110.1	I641 L643 L721 V1029 L1030 P1031	I641-R649 HydrophobicContact CG2-CB 4.3Å; I641-R649 HydrophobicContact CG2-CG 3.56Å; L643-R649 HydrophobicContact CD2-CB 3.54Å; L643-R649 HydrophobicContact CD2-CG 4.21Å; R649-L721 HydrophobicContact CB-CB 4.23Å; R649-L721 PolarHBondContact N-O 3.28Å; R649-L721 PolarHBondContact O-N 3.26Å; R649-V1029 PolarHBondContact NE-O 3.49Å; R649-V1029 PolarHBondContact NH2-O 2.71Å; R649-L1030 VanDerWaalsContact NH2-CA 3.27Å; R649-P1031 VanDerWaalsContact NH2-CG 3.31Å
650	Y	95.6	Very high	93.3	Very high	50 Å²	50	39.2 Å²	39.2	20%	0.196	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	137.2	176.8	-66.5	-101.8	0	0	0	110.3	P648 V718 F719 H720 V1029 I1036 L1039	P648-Y650 HydrophobicContact CB-CE2 4.48Å; P648-Y650 HydrophobicContact CG-CE2 4.03Å; Y650-V718 HydrophobicContact CD1-CG1 4.24Å; Y650-F719 WeakPolarHBondContact CA-O 3.34Å; Y650-H720 AromaticContact CD1-CD2 3.32Å; Y650-H720 WeakPolarHBondContact CD1-CD2 3.38Å; Y650-H720 AromaticContact CD1-NE2 3.57Å; Y650-H720 AromaticContact CE1-CD2 3.18Å; Y650-H720 WeakPolarHBondContact CE1-CD2 3.5Å; Y650-H720 AromaticContact CE1-NE2 3.14Å; Y650-H720 WeakPolarHBondContact CE1-NE2 3.37Å; Y650-H720 AromaticContact CZ-CD2 3.9Å; Y650-V1029 VanDerWaalsContact CB-CG2 3.46Å; Y650-V1029 PolarHBondContact O-N 3.17Å; Y650-I1036 HydrophobicContact CD2-CB 4.15Å; Y650-I1036 HydrophobicContact CD2-CG1 4.05Å; Y650-I1036 HydrophobicContact CD2-CG2 4.07Å; Y650-I1036 HydrophobicContact CE2-CB 3.91Å; Y650-I1036 HydrophobicContact CE2-CG1 4.12Å; Y650-I1036 HydrophobicContact CE2-CG2 4.14Å; Y650-I1036 HydrophobicContact CG-CG2 4.46Å; Y650-L1039 HydrophobicContact CD1-CD1 4.12Å; Y650-L1039 HydrophobicContact CG-CD1 4.38Å
651	L	97.1	Very high	93.1	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	126.2	176.6	175.2	63.5	0	0	0	109.2	I641 L653 V667 F707 F719 L721 A1026 P1028	I641-L651 HydrophobicContact CD1-CD1 4.17Å; L651-L653 HydrophobicContact CD1-CD2 4.13Å; L651-L653 HydrophobicContact CD2-CD2 3.92Å; L651-L653 HydrophobicContact CD2-CG 4.39Å; L651-L653 HydrophobicContact CG-CD2 3.91Å; L651-L653 HydrophobicContact CG-CG 4.31Å; L651-V667 HydrophobicContact CD2-CG1 4Å; L651-F707 HydrophobicContact CD2-CZ 3.91Å; L651-F719 HydrophobicContact CB-CB 4.43Å; L651-F719 PolarHBondContact N-O 3.35Å; L651-F719 PolarHBondContact O-N 2.85Å; L651-L721 HydrophobicContact CB-CD1 3.72Å; L651-L721 HydrophobicContact CD2-CD1 3.97Å; L651-L721 HydrophobicContact CD2-CD2 4.5Å; L651-A1026 HydrophobicContact CD1-CB 4.08Å; L651-P1028 HydrophobicContact CD1-CG 4.23Å
652	V	98.3	Very high	92.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	127.2	171.7	-179.3	0	0	0	0	108.5	V607 L623 L716 A717 V718 L1027 V1029	V607-V652 HydrophobicContact CG1-CG1 3.98Å; V607-V652 HydrophobicContact CG1-CG2 4.45Å; V607-V652 HydrophobicContact CG2-CG2 4.45Å; L623-V652 HydrophobicContact CD2-CG2 3.99Å; V652-L716 HydrophobicContact CG1-CB 3.86Å; V652-L716 HydrophobicContact CG1-CD2 3.88Å; V652-L716 HydrophobicContact CG1-CG 4.41Å; V652-A717 CarbonylContact C-O 3.5Å; V652-A717 WeakPolarHBondContact CA-O 3.44Å; V652-V718 HydrophobicContact CG2-CG2 4.45Å; V652-L1027 HydrophobicContact CB-CB 4.22Å; V652-L1027 PolarHBondContact N-O 3.25Å; V652-L1027 WeakPolarHBondContact O-CA 3.27Å; V652-L1027 WeakPolarHBondContact O-CB 3.46Å; V652-L1027 PolarHBondContact O-N 3.3Å; V652-V1029 HydrophobicContact CG2-CG2 4.37Å
653	L	98.3	Very high	92.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	124.2	174.8	-63.1	-174.7	0	0	0	110	L651 V665 F707 V709 L711 L716 A717 F719 V1024 L1025 A1026	L651-L653 HydrophobicContact CD1-CD2 4.13Å; L651-L653 HydrophobicContact CD2-CD2 3.92Å; L651-L653 HydrophobicContact CD2-CG 4.39Å; L651-L653 HydrophobicContact CG-CD2 3.91Å; L651-L653 HydrophobicContact CG-CG 4.31Å; L653-V665 HydrophobicContact CD1-CB 4.31Å; L653-V665 HydrophobicContact CD1-CG1 4.13Å; L653-V665 HydrophobicContact CD1-CG2 4.15Å; L653-V665 HydrophobicContact CD2-CG1 4.13Å; L653-F707 HydrophobicContact CD1-CE2 4.31Å; L653-V709 HydrophobicContact CD1-CB 4.4Å; L653-V709 HydrophobicContact CD1-CG1 3.87Å; L653-V709 HydrophobicContact CD1-CG2 4.21Å; L653-L711 HydrophobicContact CB-CD1 4.4Å; L653-L711 HydrophobicContact CB-CD2 3.83Å; L653-L711 HydrophobicContact CD1-CD2 4.2Å; L653-L716 CarbonylContact O-C 3.57Å; L653-L716 WeakPolarHBondContact O-CA 3.3Å; L653-A717 PolarHBondContact N-O 3.32Å; L653-A717 PolarHBondContact O-N 3.42Å; L653-F719 HydrophobicContact CB-CE2 4.22Å; L653-F719 HydrophobicContact CD1-CD2 3.95Å; L653-F719 HydrophobicContact CD1-CE2 3.59Å; L653-F719 HydrophobicContact CD1-CZ 4.32Å; L653-F719 HydrophobicContact CG-CD2 4Å; L653-F719 HydrophobicContact CG-CE2 3.93Å; L653-V1024 HydrophobicContact CB-CG1 4.05Å; L653-V1024 HydrophobicContact CD2-CG1 4.33Å; L653-L1025 WeakPolarHBondContact CA-O 3.36Å; L653-A1026 HydrophobicContact CD2-CB 3.88Å
654	F	98.2	Very high	92.8	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	123.3	176.4	178.2	-138.8	0	0	0	110.9	L531 I599 P656 G715 L716 V1024 L1025	L531-F654 HydrophobicContact CB-CZ 4.29Å; L531-F654 HydrophobicContact CD1-CD2 4.39Å; L531-F654 HydrophobicContact CD1-CE2 3.9Å; L531-F654 HydrophobicContact CD1-CZ 4.33Å; L531-F654 HydrophobicContact CD2-CE2 4.44Å; L531-F654 HydrophobicContact CD2-CZ 4.43Å; I599-F654 HydrophobicContact CG2-CD1 4.48Å; F654-P656 HydrophobicContact CD1-CB 4.4Å; F654-P656 HydrophobicContact CE1-CB 3.86Å; F654-P656 HydrophobicContact CZ-CB 4.06Å; F654-P656 VanDerWaalsContact O-CD 3.29Å; F654-P656 WeakPolarHBondContact O-CD 3.4Å; F654-G715 WeakPolarHBondContact CD2-O 3.19Å; F654-L716 HydrophobicContact CB-CD2 3.54Å; F654-L716 HydrophobicContact CD2-CD2 3.68Å; F654-L716 HydrophobicContact CD2-CG 4.28Å; F654-L716 HydrophobicContact CG-CD2 3.87Å; F654-V1024 WeakPolarHBondContact O-CA 3.49Å; F654-L1025 HydrophobicContact CB-CB 4.25Å; F654-L1025 HydrophobicContact CD1-CD1 4.05Å; F654-L1025 HydrophobicContact CD1-CG 4.35Å; F654-L1025 PolarHBondContact N-O 2.73Å; F654-L1025 PolarHBondContact O-N 3.08Å; F654-L1025 VanDerWaalsContact O-N 3.13Å
655	N	97.5	Very high	93.3	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.166	C	C	.	.			trans	-94.9	105.3	168.8	178.7	23.2	0	0	0	109.8	I657 Q659 L711 P712 L714 G715	N655-I657 VanDerWaalsContact C-N 3.25Å; N655-I657 PolarHBondContact O-N 2.78Å; N655-I657 WeakPolarHBondContact OD1-CG1 3.39Å; N655-I657 PolarHBondContact OD1-N 2.72Å; N655-Q659 PolarHBondContact ND2-O 2.93Å; N655-L711 HydrophobicContact CB-CB 3.74Å; N655-L711 HydrophobicContact CB-CD1 4.12Å; N655-P712 WeakPolarHBondContact CB-O 3.17Å; N655-P712 PolarHBondContact ND2-O 2.88Å; N655-L714 CarbonylContact O-C 3.58Å; N655-L714 WeakPolarHBondContact O-CA 3.25Å; N655-L714 PolarHBondContact O-N 3.04Å; N655-G715 PolarHBondContact N-O 3.32Å; N655-G715 PolarHBondContact O-N 2.77Å
656	P	95.9	Very high	93.9	Very high	4 Å²	4	24.3 Å²	24.3	3%	0.026	14%	0.142	C	C	.	.			trans	-78.5	-2.4	-177.8	32.8	-38.5	0	0	0	114.2	R526 F654 L714 H1022 E1023	R526-P656 PolarHBondContact NH1-O 2.8Å; F654-P656 HydrophobicContact CD1-CB 4.4Å; F654-P656 HydrophobicContact CE1-CB 3.86Å; F654-P656 HydrophobicContact CZ-CB 4.06Å; F654-P656 VanDerWaalsContact O-CD 3.29Å; F654-P656 WeakPolarHBondContact O-CD 3.4Å; P656-L714 WeakPolarHBondContact O-CD2 3.28Å; P656-H1022 HydrophobicContact CG-CB 3.94Å; P656-E1023 WeakPolarHBondContact CD-O 3.46Å; P656-E1023 VanDerWaalsContact CG-O 3.23Å; P656-E1023 WeakPolarHBondContact CG-O 3.28Å
657	I	95.6	Very high	94.5	Very high	16 Å²	16	20.2 Å²	20.2	8%	0.082	11%	0.108	C	C	.	.	S	Bend	trans	-101.9	152.9	-178.5	63.3	161.1	0	0	0	112.4	N655 Q659 R661 L714 S1018 H1022	N655-I657 VanDerWaalsContact C-N 3.25Å; N655-I657 PolarHBondContact O-N 2.78Å; N655-I657 WeakPolarHBondContact OD1-CG1 3.39Å; N655-I657 PolarHBondContact OD1-N 2.72Å; I657-Q659 HydrophobicContact CD1-CB 4.32Å; I657-Q659 PolarHBondContact O-N 2.97Å; I657-R661 HydrophobicContact CD1-CB 4.44Å; I657-L714 VanDerWaalsContact C-CD2 3.45Å; I657-L714 PolarHBondContact O-N 2.99Å; I657-S1018 WeakPolarHBondContact CG2-OG 3.26Å; I657-H1022 HydrophobicContact CG2-CB 3.51Å
658	E	94.3	Very high	95	Very high	10 Å²	10	19.9 Å²	19.9	5%	0.047	10%	0.099	C	C	.	.	S	Bend	trans	-75.7	1.5	-176.5	63.2	-78.8	-177.4	0	0	114.8	R526 P713 L714 I1049 H1054 L1055	R526-E658 IonicContact CZ-OE2 3.59Å; R526-E658 IonicContact NH2-OE2 3.73Å; R526-E658 PolarHBondContact NH2-OE2 3.32Å; E658-P713 WeakPolarHBondContact O-CB 3.4Å; E658-L714 HydrophobicContact CB-CD2 4.31Å; E658-L714 HydrophobicContact CB-CG 4.45Å; E658-I1049 HydrophobicContact CB-CB 4.48Å; E658-I1049 HydrophobicContact CB-CD1 3.82Å; E658-I1049 HydrophobicContact CG-CG2 4.33Å; E658-H1054 WeakPolarHBondContact OE1-CA 3.34Å; E658-H1054 IonicContact OE1-CE1 3.22Å; E658-H1054 IonicContact OE1-CG 2.89Å; E658-H1054 IonicContact OE1-ND1 3.09Å; E658-H1054 PolarHBondContact OE1-ND1 3Å; E658-H1054 IonicContact OE2-ND1 3.29Å; E658-L1055 HydrophobicContact CB-CB 4.05Å; E658-L1055 HydrophobicContact CG-CB 4.19Å
659	Q	93.2	Very high	95.2	Very high	37 Å²	37	17.8 Å²	17.8	17%	0.173	9%	0.085	C	C	.	.	S	Bend	trans	-112.4	153.1	177.6	-58.1	-57.6	-37.4	0	0	110.7	N655 I657 R661 I1049 P1050	N655-Q659 PolarHBondContact ND2-O 2.93Å; I657-Q659 HydrophobicContact CD1-CB 4.32Å; I657-Q659 PolarHBondContact O-N 2.97Å; Q659-R661 PolarHBondContact O-N 3.04Å; Q659-I1049 PolarHBondContact NE2-O 3.5Å; Q659-I1049 PolarHBondContact OE1-O 3.08Å; Q659-P1050 PolarHBondContact NE2-O 2.83Å
660	E	91.9	Very high	95.2	Very high	87 Å²	87	18.5 Å²	18.5	41%	0.407	9%	0.093	S	C	.	.			trans	-65.2	132.5	170.7	-171.8	-174.4	-104.6	0	0	108.2	R710 L711 P713	E660-R710 HydrophobicContact CG-CG 4.1Å; E660-R710 IonicContact OE2-CZ 3.18Å; E660-R710 IonicContact OE2-NH1 3.78Å; E660-R710 PolarHBondContact OE2-NH1 2.91Å; E660-L711 WeakPolarHBondContact CG-O 3.38Å; E660-P713 HydrophobicContact CB-CG 4.37Å
661	R	90.9	Very high	95	Very high	23 Å²	23	16.9 Å²	16.9	9%	0.087	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	116.1	-174.6	-173.1	176.1	179	156.5	-0.1	110.4	I657 Q659 C663 R710 L711 H1022	I657-R661 HydrophobicContact CD1-CB 4.44Å; Q659-R661 PolarHBondContact O-N 3.04Å; R661-C663 HydrophobicContact CG-CB 4.17Å; R661-C663 PolarHBondContact NE-SG 3.09Å; R661-R710 CarbonylContact O-C 3.6Å; R661-R710 WeakPolarHBondContact O-CA 3.44Å; R661-L711 HydrophobicContact CB-CB 4.47Å; R661-L711 PolarHBondContact N-O 2.82Å; R661-L711 PolarHBondContact O-N 2.9Å; R661-H1022 PolarHBondContact NH1-O 3.46Å
662	L	90.2	Very high	94.7	Very high	24 Å²	24	18.3 Å²	18.3	13%	0.126	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	117.4	164	-175.6	69.1	0	0	0	107.9	M708 V709 R710 V861 P862	L662-M708 HydrophobicContact CD1-CG 3.95Å; L662-M708 HydrophobicContact CD1-SD 4.1Å; L662-V709 WeakPolarHBondContact CA-O 3.44Å; L662-R710 HydrophobicContact CD1-CB 4.12Å; L662-V861 HydrophobicContact CD2-CG1 4.36Å; L662-V861 HydrophobicContact CG-CG1 3.98Å; L662-P862 HydrophobicContact CD2-CB 3.98Å; L662-P862 HydrophobicContact CD2-CG 4.18Å
663	C	92.6	Very high	94.3	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.007	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	168.3	-179	63.9	0	0	0	0	112.3	R661 V709	R661-C663 HydrophobicContact CG-CB 4.17Å; R661-C663 PolarHBondContact NE-SG 3.09Å; C663-V709 PolarHBondContact N-O 2.79Å; C663-V709 VanDerWaalsContact N-O 3.08Å; C663-V709 PolarHBondContact O-N 2.84Å
664	A	93.8	Very high	94	Very high	16 Å²	16	23.7 Å²	23.7	13%	0.132	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	136.3	166.4	0	0	0	0	0	110.3	T706 V861 D865	A664-T706 HydrophobicContact CB-CG2 3.93Å; A664-V861 HydrophobicContact CB-CG2 4.13Å; A664-D865 PolarHBondContact N-OD2 2.82Å
665	V	95.5	Very high	93.8	Very high	14 Å²	14	27.8 Å²	27.8	9%	0.085	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125.6	170.8	171.6	0	0	0	0	108.7	L653 V667 T706 F707 V709 V1024	L653-V665 HydrophobicContact CD1-CB 4.31Å; L653-V665 HydrophobicContact CD1-CG1 4.13Å; L653-V665 HydrophobicContact CD1-CG2 4.15Å; L653-V665 HydrophobicContact CD2-CG1 4.13Å; V665-V667 HydrophobicContact CG1-CG1 4.35Å; V665-T706 VanDerWaalsContact O-CA 3.3Å; V665-T706 WeakPolarHBondContact O-CA 3.4Å; V665-F707 PolarHBondContact N-O 3.07Å; V665-F707 PolarHBondContact O-N 3.08Å; V665-V709 HydrophobicContact CB-CG2 4.27Å; V665-V709 HydrophobicContact CG2-CG2 3.54Å; V665-V1024 HydrophobicContact CG2-CB 4.36Å; V665-V1024 HydrophobicContact CG2-CG1 4.1Å
666	T	96.3	Very high	93.7	Very high	18 Å²	18	27.8 Å²	27.8	11%	0.11	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	141.5	172.7	-54.4	0	0	0	0	108.9	R638 E704 A705 T706	R638-T666 PolarHBondContact NH2-O 3.27Å; T666-E704 HydrophobicContact CG2-CB 3.8Å; T666-E704 HydrophobicContact CG2-CG 4.21Å; T666-A705 CarbonylContact C-O 3.55Å; T666-A705 WeakPolarHBondContact CA-O 3.34Å; T666-T706 WeakPolarHBondContact CB-OG1 3.35Å; T666-T706 WeakPolarHBondContact CG2-OG1 3.46Å; T666-T706 PolarHBondContact OG1-OG1 2.91Å
667	V	97.1	Very high	93.5	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.024	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	157.2	166.9	-63.3	0	0	0	0	110.5	I641 L651 V665 V669 A705 F707 L721 A1026	I641-V667 HydrophobicContact CD1-CB 3.88Å; I641-V667 HydrophobicContact CD1-CG1 4.09Å; I641-V667 HydrophobicContact CD1-CG2 4.16Å; L651-V667 HydrophobicContact CD2-CG1 4Å; V665-V667 HydrophobicContact CG1-CG1 4.35Å; V667-V669 HydrophobicContact CG2-CG1 4.26Å; V667-A705 HydrophobicContact CG2-CB 4.16Å; V667-A705 PolarHBondContact N-O 3.5Å; V667-A705 PolarHBondContact O-N 2.99Å; V667-F707 HydrophobicContact CG2-CE1 4.13Å; V667-L721 HydrophobicContact CG2-CD2 4.18Å; V667-A1026 HydrophobicContact CG1-CB 4.36Å
668	L	96.9	Very high	93.4	Very high	22 Å²	22	28.7 Å²	28.7	12%	0.115	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	135.2	174.4	-61.1	-171.8	0	0	0	110.5	R638 L640 I641 V702 F703 E704	R638-L668 HydrophobicContact CB-CD1 3.7Å; R638-L668 HydrophobicContact CB-CG 4.15Å; L640-L668 HydrophobicContact CD1-CB 4.14Å; I641-L668 WeakPolarHBondContact CB-O 3.39Å; I641-L668 PolarHBondContact N-O 3.5Å; L668-V702 HydrophobicContact CB-CG1 4.22Å; L668-V702 HydrophobicContact CD1-CG1 4.25Å; L668-V702 HydrophobicContact CD2-CG1 4.32Å; L668-F703 WeakPolarHBondContact CA-O 3.39Å; L668-E704 HydrophobicContact CD2-CG 3.87Å
669	V	95.6	Very high	93.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	157.9	-179.7	-66	0	0	0	0	111.3	L640 I641 L643 V667 T671 V674 F703 A705	L640-V669 VanDerWaalsContact CD1-C 3.48Å; I641-V669 WeakPolarHBondContact O-CA 3.31Å; L643-V669 HydrophobicContact CD1-CB 4.46Å; L643-V669 HydrophobicContact CD1-CG1 4.13Å; L643-V669 HydrophobicContact CG-CG1 4.45Å; V667-V669 HydrophobicContact CG2-CG1 4.26Å; V669-T671 WeakPolarHBondContact CG2-O 3.27Å; V669-V674 HydrophobicContact CB-CG2 4.39Å; V669-V674 HydrophobicContact CG1-CG2 4.49Å; V669-V674 HydrophobicContact CG2-CG2 3.76Å; V669-F703 HydrophobicContact CG2-CB 4.08Å; V669-F703 PolarHBondContact N-O 3.29Å; V669-F703 PolarHBondContact O-N 3.35Å; V669-A705 HydrophobicContact CG1-CB 4.18Å; V669-A705 HydrophobicContact CG2-CB 4.09Å
670	N	94.4	Very high	93	Very high	61 Å²	61	36.3 Å²	36.3	33%	0.326	18%	0.178	S	C	.	.	S	Bend	trans	-92.4	2.5	-178.8	67.9	-31.3	0	0	0	114.5	L643 E701	L643-N670 PolarHBondContact N-OD1 3.16Å; L643-N670 PolarHBondContact O-ND2 2.68Å; N670-E701 WeakPolarHBondContact CA-O 3.24Å
671	T	91.9	Very high	92.8	Very high	16 Å²	16	34 Å²	34	10%	0.098	18%	0.178	C	C	.	.			trans	-141.8	153	-174.3	-177.2	0	0	0	0	111.6	L643 V669 R673 V674 D723	L643-T671 HydrophobicContact CB-CG2 4.01Å; L643-T671 HydrophobicContact CD1-CG2 3.89Å; L643-T671 HydrophobicContact CG-CG2 4.35Å; V669-T671 WeakPolarHBondContact CG2-O 3.27Å; T671-R673 VanDerWaalsContact C-N 3.34Å; T671-R673 PolarHBondContact OG1-N 3.27Å; T671-V674 HydrophobicContact CG2-CG2 4.41Å; T671-V674 WeakPolarHBondContact O-CG2 3.48Å; T671-D723 HydrophobicContact CG2-CB 4.24Å
672	V	90	Very high	92.7	Very high	32 Å²	32	38.5 Å²	38.5	19%	0.194	20%	0.2	C	C	.	.	S	Bend	trans	-87.6	-6.5	175.3	-60.1	0	0	0	0	113.2	V674 L688 F703 P751	V672-V674 PolarHBondContact O-N 3.05Å; V672-L688 HydrophobicContact CB-CD2 3.72Å; V672-L688 HydrophobicContact CG1-CD2 4.05Å; V672-L688 WeakPolarHBondContact O-CD2 3.45Å; V672-F703 HydrophobicContact CG1-CD1 3.86Å; V672-F703 HydrophobicContact CG1-CD2 3.88Å; V672-F703 HydrophobicContact CG1-CE1 3.52Å; V672-F703 HydrophobicContact CG1-CE2 3.56Å; V672-F703 HydrophobicContact CG1-CG 4.02Å; V672-F703 HydrophobicContact CG1-CZ 3.37Å; V672-P751 HydrophobicContact CB-CG 3.78Å; V672-P751 HydrophobicContact CG1-CG 3.76Å; V672-P751 HydrophobicContact CG2-CG 3.61Å
673	R	90.4	Very high	92.6	Very high	112 Å²	112	38.9 Å²	38.9	42%	0.423	20%	0.203	S	C	.	.			trans	-101.3	61.1	-175.8	-65.4	-173.8	-50.3	-163	-1.5	109.9	T671 D723 S724	T671-R673 VanDerWaalsContact C-N 3.34Å; T671-R673 PolarHBondContact OG1-N 3.27Å; R673-D723 WeakPolarHBondContact CB-OD1 3.29Å; R673-D723 IonicContact CZ-OD1 3.87Å; R673-D723 VanDerWaalsContact CZ-OD1 3.29Å; R673-D723 IonicContact CZ-OD2 3.58Å; R673-D723 IonicContact NE-OD1 3.74Å; R673-D723 PolarHBondContact NE-OD1 3.17Å; R673-D723 IonicContact NE-OD2 3.52Å; R673-D723 VanDerWaalsContact NH2-CG 3.31Å; R673-D723 IonicContact NH2-OD1 3.87Å; R673-D723 PolarHBondContact NH2-OD1 3.3Å; R673-D723 VanDerWaalsContact NH2-OD1 3.09Å; R673-D723 IonicContact NH2-OD2 3.21Å; R673-D723 PolarHBondContact NH2-OD2 3.32Å; R673-D723 CarbonylContact O-C 3.49Å; R673-D723 VanDerWaalsContact O-CA 3.27Å; R673-D723 WeakPolarHBondContact O-CA 3.25Å; R673-S724 CarbonylContact C-O 3.18Å; R673-S724 WeakPolarHBondContact CB-O 3.49Å; R673-S724 PolarHBondContact O-N 2.84Å
674	V	92.5	Very high	92.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	130	-173.3	-174.2	0	0	0	0	110.4	L643 V669 T671 V672 V676 L688 A705 T730	L643-V674 HydrophobicContact CD1-CG1 4.25Å; L643-V674 HydrophobicContact CD1-CG2 4.32Å; V669-V674 HydrophobicContact CB-CG2 4.39Å; V669-V674 HydrophobicContact CG1-CG2 4.49Å; V669-V674 HydrophobicContact CG2-CG2 3.76Å; T671-V674 HydrophobicContact CG2-CG2 4.41Å; T671-V674 WeakPolarHBondContact O-CG2 3.48Å; V672-V674 PolarHBondContact O-N 3.05Å; V674-V676 HydrophobicContact CG1-CG2 4.08Å; V674-L688 HydrophobicContact CG2-CD1 4.1Å; V674-A705 HydrophobicContact CG1-CB 4.14Å; V674-A705 HydrophobicContact CG2-CB 4.34Å; V674-T730 PolarHBondContact O-OG1 3.47Å
675	R	93.6	Very high	92.4	Very high	86 Å²	86	40.4 Å²	40.4	33%	0.325	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	129.8	164.8	-178.4	178.4	-178.5	163.8	-0.8	109.8	L677 T683 L721 Y722	R675-L677 HydrophobicContact CG-CD2 4.28Å; R675-T683 HydrophobicContact CG-CG2 3.97Å; R675-T683 PolarHBondContact NE-OG1 3.47Å; R675-T683 PolarHBondContact NH2-OG1 3.44Å; R675-L721 CarbonylContact O-C 3.56Å; R675-L721 WeakPolarHBondContact O-CA 3.49Å; R675-Y722 PolarHBondContact N-O 2.91Å; R675-Y722 PolarHBondContact O-N 2.95Å
676	V	94.1	Very high	92.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	128.5	178.2	-176	0	0	0	0	109.4	V674 T683 L684 V686 F707 F719 H720 L721	V674-V676 HydrophobicContact CG1-CG2 4.08Å; V676-T683 WeakPolarHBondContact O-CA 3.2Å; V676-L684 HydrophobicContact CB-CB 4.44Å; V676-L684 HydrophobicContact CG1-CD1 4.14Å; V676-L684 PolarHBondContact O-N 3.35Å; V676-V686 HydrophobicContact CB-CG2 4.05Å; V676-V686 HydrophobicContact CG2-CG2 3.59Å; V676-F707 HydrophobicContact CG1-CD1 4.49Å; V676-F707 HydrophobicContact CG1-CD2 4.07Å; V676-F707 HydrophobicContact CG1-CE2 4.09Å; V676-F707 HydrophobicContact CG1-CG 4.29Å; V676-F707 HydrophobicContact CG1-CZ 4.34Å; V676-F707 HydrophobicContact CG2-CD1 3.96Å; V676-F707 HydrophobicContact CG2-CE1 4.22Å; V676-F707 HydrophobicContact CG2-CG 4.33Å; V676-F719 HydrophobicContact CG1-CD1 4.43Å; V676-H720 CarbonylContact C-O 3.58Å; V676-H720 WeakPolarHBondContact CA-O 3.39Å; V676-L721 HydrophobicContact CG1-CD1 4.42Å; V676-L721 HydrophobicContact CG2-CG 4.24Å
677	L	93.3	Very high	92.2	Very high	21 Å²	21	39 Å²	39	11%	0.11	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	146.3	171.3	-50.5	-178.2	0	0	0	110.7	R675 Q682 T683 F719 H720 Y722	R675-L677 HydrophobicContact CG-CD2 4.28Å; L677-Q682 CarbonylContact C-O 3.55Å; L677-Q682 WeakPolarHBondContact CA-O 3.46Å; L677-T683 HydrophobicContact CD2-CG2 4.06Å; L677-T683 WeakPolarHBondContact CD2-OG1 3.42Å; L677-F719 CarbonylContact O-C 3.57Å; L677-F719 WeakPolarHBondContact O-CA 3.46Å; L677-H720 HydrophobicContact CB-CB 4.18Å; L677-H720 PolarHBondContact N-O 2.86Å; L677-H720 PolarHBondContact O-N 3.03Å; L677-Y722 HydrophobicContact CD1-CD2 4.28Å; L677-Y722 HydrophobicContact CD1-CE2 3.61Å; L677-Y722 HydrophobicContact CG-CD2 4.32Å; L677-Y722 HydrophobicContact CG-CE2 4.03Å
678	T	91.9	Very high	92	Very high	18 Å²	18	38.8 Å²	38.8	11%	0.11	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	171.6	163	57.9	0	0	0	0	111	D680 G681 Q682 L684 F719 H720	T678-D680 WeakPolarHBondContact CB-OD1 3.41Å; T678-D680 PolarHBondContact O-N 3.09Å; T678-D680 PolarHBondContact OG1-OD1 3.34Å; T678-G681 PolarHBondContact O-N 3.24Å; T678-G681 VanDerWaalsContact O-N 3.07Å; T678-Q682 HydrophobicContact CG2-CB 4.29Å; T678-Q682 PolarHBondContact N-O 3.16Å; T678-Q682 VanDerWaalsContact OG1-CB 3.26Å; T678-Q682 WeakPolarHBondContact OG1-CB 3.43Å; T678-Q682 PolarHBondContact OG1-N 3.33Å; T678-Q682 PolarHBondContact OG1-O 3.02Å; T678-L684 HydrophobicContact CG2-CD1 4.07Å; T678-L684 HydrophobicContact CG2-CD2 3.86Å; T678-L684 HydrophobicContact CG2-CG 4Å; T678-F719 HydrophobicContact CG2-CE1 4.27Å; T678-H720 PolarHBondContact O-ND1 2.94Å
679	E	90.6	Very high	91.9	Very high	77 Å²	77	37.9 Å²	37.9	36%	0.36	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-38.8	175	-175.5	-174.7	164.9	0	0	112.9	G681 V718 Q1040 T1041	E679-G681 VanDerWaalsContact C-N 3.28Å; E679-G681 PolarHBondContact O-N 2.72Å; E679-V718 PolarHBondContact N-O 3.49Å; E679-Q1040 VanDerWaalsContact OE1-CA 3.31Å; E679-Q1040 WeakPolarHBondContact OE1-CA 3.41Å; E679-T1041 WeakPolarHBondContact OE2-CB 3.42Å; E679-T1041 PolarHBondContact OE2-N 2.76Å; E679-T1041 PolarHBondContact OE2-OG1 3.1Å
680	D	88.9	Confident	91.8	Very high	130 Å²	130	38.1 Å²	38.1	70%	0.695	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	1.3	179.8	62.5	-42.6	0	0	0	114.1	T678	T678-D680 WeakPolarHBondContact CB-OD1 3.41Å; T678-D680 PolarHBondContact O-N 3.09Å; T678-D680 PolarHBondContact OG1-OD1 3.34Å
681	G	88.9	Confident	91.7	Very high	40 Å²	40	38.1 Å²	38.1	41%	0.412	20%	0.196	S	C	.	.			trans	90.1	5.4	174.4	0	0	0	0	0	115.2	T678 E679 T683	T678-G681 PolarHBondContact O-N 3.24Å; T678-G681 VanDerWaalsContact O-N 3.07Å; E679-G681 VanDerWaalsContact C-N 3.28Å; E679-G681 PolarHBondContact O-N 2.72Å; G681-T683 PolarHBondContact O-N 3.35Å
682	Q	88.2	Confident	91.6	Very high	117 Å²	117	38.7 Å²	38.7	55%	0.547	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-67.2	130.7	173.6	-170.7	-176.9	16	0	0	110.1	L677 T678	L677-Q682 CarbonylContact C-O 3.55Å; L677-Q682 WeakPolarHBondContact CA-O 3.46Å; T678-Q682 HydrophobicContact CG2-CB 4.29Å; T678-Q682 PolarHBondContact N-O 3.16Å; T678-Q682 VanDerWaalsContact OG1-CB 3.26Å; T678-Q682 WeakPolarHBondContact OG1-CB 3.43Å; T678-Q682 PolarHBondContact OG1-N 3.33Å; T678-Q682 PolarHBondContact OG1-O 3.02Å
683	T	89.1	Confident	91.4	Very high	31 Å²	31	40.9 Å²	40.9	19%	0.19	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	130	177	-52.9	0	0	0	0	111	R675 V676 L677 G681 M729	R675-T683 HydrophobicContact CG-CG2 3.97Å; R675-T683 PolarHBondContact NE-OG1 3.47Å; R675-T683 PolarHBondContact NH2-OG1 3.44Å; V676-T683 WeakPolarHBondContact O-CA 3.2Å; L677-T683 HydrophobicContact CD2-CG2 4.06Å; L677-T683 WeakPolarHBondContact CD2-OG1 3.42Å; G681-T683 PolarHBondContact O-N 3.35Å; T683-M729 HydrophobicContact CG2-CB 4.16Å; T683-M729 HydrophobicContact CG2-CG 3.92Å
684	L	89.8	Confident	91.1	Very high	21 Å²	21	37.8 Å²	37.8	11%	0.11	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	145.6	179	-61.4	-178.3	0	0	0	112	V676 T678 F707 F719	V676-L684 HydrophobicContact CB-CB 4.44Å; V676-L684 HydrophobicContact CG1-CD1 4.14Å; V676-L684 PolarHBondContact O-N 3.35Å; T678-L684 HydrophobicContact CG2-CD1 4.07Å; T678-L684 HydrophobicContact CG2-CD2 3.86Å; T678-L684 HydrophobicContact CG2-CG 4Å; L684-F707 HydrophobicContact CD1-CD2 4.05Å; L684-F719 HydrophobicContact CD1-CD1 4.11Å; L684-F719 HydrophobicContact CD1-CE1 3.89Å
685	P	91	Very high	90.7	Very high	29 Å²	29	38.5 Å²	38.5	19%	0.188	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-62	136.8	165.9	-14.5	25.9	0	0	0	111	P91 F707 M729	P91-P685 HydrophobicContact CG-CB 4.03Å; P91-P685 HydrophobicContact CG-CG 4.44Å; P685-F707 WeakPolarHBondContact O-CB 3.38Å; P685-M729 CarbonylContact C-O 3.57Å; P685-M729 WeakPolarHBondContact CA-O 3.25Å; P685-M729 HydrophobicContact CB-CE 4.23Å; P685-M729 HydrophobicContact CG-CE 3.56Å
686	V	92.9	Very high	90.2	Very high	1 Å²	1	37 Å²	37	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	125.8	178.5	-178.6	0	0	0	0	108.8	V676 A705 T706 F707 M729 T730 I731	V676-V686 HydrophobicContact CB-CG2 4.05Å; V676-V686 HydrophobicContact CG2-CG2 3.59Å; V686-A705 HydrophobicContact CG1-CB 4.05Å; V686-T706 CarbonylContact C-O 3.59Å; V686-T706 WeakPolarHBondContact CA-O 3.36Å; V686-F707 HydrophobicContact CG2-CB 4.4Å; V686-M729 PolarHBondContact N-O 2.78Å; V686-T730 HydrophobicContact CB-CG2 4.33Å; V686-T730 HydrophobicContact CG1-CG2 4.45Å; V686-T730 CarbonylContact O-C 3.6Å; V686-T730 WeakPolarHBondContact O-CA 3.31Å; V686-I731 PolarHBondContact O-N 2.93Å
687	Q	94.3	Very high	89.8	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	115.6	162	175.6	171	-33.8	0	0	108.6	S689 T706 I731 G839 P840 L841 F842	Q687-S689 PolarHBondContact NE2-OG 2.9Å; Q687-T706 PolarHBondContact N-O 3.43Å; Q687-T706 PolarHBondContact O-N 3.3Å; Q687-I731 CarbonylContact C-O 3.28Å; Q687-I731 WeakPolarHBondContact CA-O 3.21Å; Q687-G839 VanDerWaalsContact OE1-CA 3.32Å; Q687-P840 HydrophobicContact CB-CG 4.29Å; Q687-P840 VanDerWaalsContact OE1-N 3.11Å; Q687-L841 HydrophobicContact CB-CB 4.1Å; Q687-L841 HydrophobicContact CB-CD1 3.89Å; Q687-L841 HydrophobicContact CB-CG 4.08Å; Q687-F842 HydrophobicContact CG-CE1 4.29Å; Q687-F842 VanDerWaalsContact NE2-CD1 3.33Å; Q687-F842 PolarHBondContact NE2-O 2.93Å; Q687-F842 PolarHBondContact OE1-O 3.26Å
688	L	94.1	Very high	89.5	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	123.5	173.3	-170.6	77.5	0	0	0	109.8	V672 V674 F703 E704 T730 I731 S733 L752	V672-L688 HydrophobicContact CB-CD2 3.72Å; V672-L688 HydrophobicContact CG1-CD2 4.05Å; V672-L688 WeakPolarHBondContact O-CD2 3.45Å; V674-L688 HydrophobicContact CG2-CD1 4.1Å; L688-F703 HydrophobicContact CD1-CB 3.89Å; L688-F703 HydrophobicContact CG-CB 4.5Å; L688-E704 CarbonylContact C-O 3.59Å; L688-E704 WeakPolarHBondContact CA-O 3.44Å; L688-T730 HydrophobicContact CB-CG2 4.31Å; L688-I731 PolarHBondContact N-O 3.15Å; L688-S733 PolarHBondContact O-N 3.46Å; L688-S733 PolarHBondContact O-OG 3.49Å; L688-L752 HydrophobicContact CD2-CD2 4.39Å
689	S	94.9	Very high	89.4	Confident	4 Å²	4	42.5 Å²	42.5	3%	0.028	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	157.9	-179.2	-67.7	0	0	0	0	112.4	Q687 E704 S733	Q687-S689 PolarHBondContact NE2-OG 2.9Å; S689-E704 PolarHBondContact N-O 3.46Å; S689-E704 PolarHBondContact O-N 3.13Å; S689-S733 WeakPolarHBondContact CA-OG 3.35Å; S689-S733 WeakPolarHBondContact CB-OG 3.28Å; S689-S733 VanDerWaalsContact OG-CB 3.28Å; S689-S733 WeakPolarHBondContact OG-CB 3.37Å; S689-S733 PolarHBondContact OG-OG 2.97Å
690	A	92.6	Very high	89.2	Confident	5 Å²	5	41.7 Å²	41.7	4%	0.041	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	133.5	179.6	0	0	0	0	0	111.9	W692 M698 L752	A690-W692 HydrophobicContact CB-CZ2 3.87Å; A690-W692 PolarHBondContact O-NE1 3.31Å; A690-M698 HydrophobicContact CB-CG 3.68Å; A690-M698 HydrophobicContact CB-SD 3.27Å; A690-M698 WeakPolarHBondContact CB-SD 3.42Å; A690-L752 HydrophobicContact CB-CD1 3.92Å
691	Q	92.6	Very high	89.2	Confident	60 Å²	60	42.8 Å²	42.8	28%	0.28	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	139	160.2	-164.5	-71	-27.8	0	0	108.6	M698 S699 V702	Q691-M698 CarbonylContact O-C 3.58Å; Q691-M698 WeakPolarHBondContact O-CA 3.47Å; Q691-S699 PolarHBondContact O-N 2.89Å; Q691-S699 VanDerWaalsContact OE1-CB 3.3Å; Q691-V702 HydrophobicContact CB-CB 4.34Å; Q691-V702 HydrophobicContact CB-CG1 4.18Å; Q691-V702 VanDerWaalsContact CB-O 3.24Å; Q691-V702 WeakPolarHBondContact CB-O 3.44Å; Q691-V702 HydrophobicContact CG-CG1 4.15Å
692	W	90.4	Very high	89.4	Confident	29 Å²	29	42.3 Å²	42.3	11%	0.11	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	130.4	-177.1	-62.2	81.4	0	0	0	112.2	A690 Q697 M698 T735 L737 V754 R835	A690-W692 HydrophobicContact CB-CZ2 3.87Å; A690-W692 PolarHBondContact O-NE1 3.31Å; W692-Q697 WeakPolarHBondContact CA-O 3.37Å; W692-M698 HydrophobicContact CE3-CB 4.3Å; W692-M698 HydrophobicContact CH2-CB 4.36Å; W692-M698 HydrophobicContact CZ3-CB 4.2Å; W692-T735 HydrophobicContact CH2-CG2 4.03Å; W692-T735 HydrophobicContact CZ2-CG2 3.67Å; W692-L737 HydrophobicContact CH2-CD1 4.47Å; W692-L737 HydrophobicContact CH2-CD2 4.45Å; W692-L737 HydrophobicContact CZ3-CD1 4.49Å; W692-L737 HydrophobicContact CZ3-CD2 4.47Å; W692-V754 HydrophobicContact CH2-CG1 4.23Å; W692-V754 HydrophobicContact CH2-CG2 4.09Å; W692-V754 HydrophobicContact CZ2-CG2 4.48Å; W692-R835 VanDerWaalsContact CG-CZ 3.45Å
693	S	85.2	Confident	89.7	Confident	77 Å²	77	37.4 Å²	37.4	54%	0.538	22%	0.215	S	C	.	.	S	Bend	trans	-88.1	-22	173.3	60.9	0	0	0	0	112.6	Q697	S693-Q697 PolarHBondContact N-O 3.22Å; S693-Q697 WeakPolarHBondContact OG-CG 3.32Å; S693-Q697 PolarHBondContact OG-O 2.77Å
694	S	85.1	Confident	90	Very high	47 Å²	47	37.6 Å²	37.6	33%	0.329	21%	0.214	S	C	.	.	S	Bend	trans	-150.3	-167.4	175.3	77.1	0	0	0	0	112	T696 Q697	S694-T696 PolarHBondContact O-N 3.03Å; S694-T696 PolarHBondContact OG-N 2.8Å; S694-Q697 PolarHBondContact N-O 3.02Å; S694-Q697 WeakPolarHBondContact OG-CB 3.34Å; S694-Q697 PolarHBondContact OG-N 2.86Å
695	A	83.3	Confident	90.3	Very high	16 Å²	16	36.6 Å²	36.6	13%	0.132	21%	0.209	C	C	.	.	S	Bend	trans	-52.8	-41	174.7	0	0	0	0	0	114.4	A833 Q848	A695-A833 HydrophobicContact CB-CB 4.01Å; A695-Q848 VanDerWaalsContact CA-CD 3.5Å
696	T	83.9	Confident	90.6	Very high	53 Å²	53	35.2 Å²	35.2	33%	0.325	20%	0.2	S	C	.	.	S	Bend	trans	-131.1	-2.2	-165.9	53.7	0	0	0	0	112.5	S694 L739	S694-T696 PolarHBondContact O-N 3.03Å; S694-T696 PolarHBondContact OG-N 2.8Å; T696-L739 HydrophobicContact CG2-CD1 4.48Å; T696-L739 HydrophobicContact CG2-CD2 4.11Å
697	Q	85.3	Confident	90.7	Very high	122 Å²	122	35.2 Å²	35.2	57%	0.57	20%	0.2	S	C	*	.			trans	-109	119.8	-179.4	-167.7	175.9	1	0	0	111.1	W692 S693 S694	W692-Q697 WeakPolarHBondContact CA-O 3.37Å; S693-Q697 PolarHBondContact N-O 3.22Å; S693-Q697 WeakPolarHBondContact OG-CG 3.32Å; S693-Q697 PolarHBondContact OG-O 2.77Å; S694-Q697 PolarHBondContact N-O 3.02Å; S694-Q697 WeakPolarHBondContact OG-CB 3.34Å; S694-Q697 PolarHBondContact OG-N 2.86Å
698	M	87.6	Confident	90.6	Very high	10 Å²	10	37.5 Å²	37.5	5%	0.049	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	147.7	172.2	-175.5	171.2	75.6	0	0	110.3	A690 Q691 W692 L749 L752	A690-M698 HydrophobicContact CB-CG 3.68Å; A690-M698 HydrophobicContact CB-SD 3.27Å; A690-M698 WeakPolarHBondContact CB-SD 3.42Å; Q691-M698 CarbonylContact O-C 3.58Å; Q691-M698 WeakPolarHBondContact O-CA 3.47Å; W692-M698 HydrophobicContact CE3-CB 4.3Å; W692-M698 HydrophobicContact CH2-CB 4.36Å; W692-M698 HydrophobicContact CZ3-CB 4.2Å; M698-L749 HydrophobicContact CE-CB 3.49Å; M698-L749 VanDerWaalsContact CE-CB 3.49Å; M698-L749 HydrophobicContact CE-CD1 3.79Å; M698-L749 HydrophobicContact CE-CG 4.26Å; M698-L752 HydrophobicContact CE-CB 4.25Å; M698-L752 HydrophobicContact SD-CB 4.01Å; M698-L752 HydrophobicContact SD-CD1 3.92Å
699	S	88.6	Confident	90.5	Very high	23 Å²	23	37.6 Å²	37.6	16%	0.161	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	137.8	167.8	-179.3	0	0	0	0	110.6	Q691 E701 V702	Q691-S699 PolarHBondContact O-N 2.89Å; Q691-S699 VanDerWaalsContact OE1-CB 3.3Å; S699-E701 PolarHBondContact OG-N 2.96Å; S699-V702 PolarHBondContact OG-N 2.99Å
700	A	85.8	Confident	90.3	Very high	61 Å²	61	41 Å²	41	50%	0.504	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-15.7	175.7	0	0	0	0	0	112.9	L749	A700-L749 HydrophobicContact CB-CD1 4.31Å; A700-L749 HydrophobicContact CB-CD2 3.77Å
701	E	89.4	Confident	90.4	Very high	152 Å²	152	40.8 Å²	40.8	71%	0.71	22%	0.222	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-121.3	-15.2	-165.6	-63.1	177.2	-178.4	0	0	113.3	N670 S699	N670-E701 WeakPolarHBondContact CA-O 3.24Å; S699-E701 PolarHBondContact OG-N 2.96Å
702	V	93.7	Very high	90.5	Very high	31 Å²	31	39 Å²	39	19%	0.188	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	132.6	-174	-177.7	0	0	0	0	110.2	L640 L668 Q691 S699	L640-V702 HydrophobicContact CD1-CG1 4.02Å; L640-V702 HydrophobicContact CD1-CG2 4.25Å; L640-V702 HydrophobicContact CD2-CG2 4.47Å; L668-V702 HydrophobicContact CB-CG1 4.22Å; L668-V702 HydrophobicContact CD1-CG1 4.25Å; L668-V702 HydrophobicContact CD2-CG1 4.32Å; Q691-V702 HydrophobicContact CB-CB 4.34Å; Q691-V702 HydrophobicContact CB-CG1 4.18Å; Q691-V702 VanDerWaalsContact CB-O 3.24Å; Q691-V702 WeakPolarHBondContact CB-O 3.44Å; Q691-V702 HydrophobicContact CG-CG1 4.15Å; S699-V702 PolarHBondContact OG-N 2.99Å
703	F	94.1	Very high	90.8	Very high	14 Å²	14	38.6 Å²	38.6	6%	0.061	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	158.1	-178.4	-49.3	-82.2	0	0	0	111.1	L668 V669 V672 L688 L752	L668-F703 WeakPolarHBondContact CA-O 3.39Å; V669-F703 HydrophobicContact CG2-CB 4.08Å; V669-F703 PolarHBondContact N-O 3.29Å; V669-F703 PolarHBondContact O-N 3.35Å; V672-F703 HydrophobicContact CG1-CD1 3.86Å; V672-F703 HydrophobicContact CG1-CD2 3.88Å; V672-F703 HydrophobicContact CG1-CE1 3.52Å; V672-F703 HydrophobicContact CG1-CE2 3.56Å; V672-F703 HydrophobicContact CG1-CG 4.02Å; V672-F703 HydrophobicContact CG1-CZ 3.37Å; L688-F703 HydrophobicContact CD1-CB 3.89Å; L688-F703 HydrophobicContact CG-CB 4.5Å; F703-L752 HydrophobicContact CD1-CD1 3.68Å; F703-L752 HydrophobicContact CE1-CD1 4.04Å
704	E	96.3	Very high	91.3	Very high	35 Å²	35	34.9 Å²	34.9	16%	0.164	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	116	174.2	-63.8	-165.8	160.6	0	0	109.7	T666 L668 L688 S689 R857	T666-E704 HydrophobicContact CG2-CB 3.8Å; T666-E704 HydrophobicContact CG2-CG 4.21Å; L668-E704 HydrophobicContact CD2-CG 3.87Å; L688-E704 CarbonylContact C-O 3.59Å; L688-E704 WeakPolarHBondContact CA-O 3.44Å; S689-E704 PolarHBondContact N-O 3.46Å; S689-E704 PolarHBondContact O-N 3.13Å; E704-R857 IonicContact OE2-NH2 3.03Å
705	A	95.9	Very high	91.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	112.6	171.3	0	0	0	0	0	108.9	T666 V667 V669 V674 V686	T666-A705 CarbonylContact C-O 3.55Å; T666-A705 WeakPolarHBondContact CA-O 3.34Å; V667-A705 HydrophobicContact CG2-CB 4.16Å; V667-A705 PolarHBondContact N-O 3.5Å; V667-A705 PolarHBondContact O-N 2.99Å; V669-A705 HydrophobicContact CG1-CB 4.18Å; V669-A705 HydrophobicContact CG2-CB 4.09Å; V674-A705 HydrophobicContact CG1-CB 4.14Å; V674-A705 HydrophobicContact CG2-CB 4.34Å; V686-A705 HydrophobicContact CG1-CB 4.05Å
706	T	96.9	Very high	92.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	133.9	178	-57	0	0	0	0	110.3	A664 V665 T666 V686 Q687 L841 F842	A664-T706 HydrophobicContact CB-CG2 3.93Å; V665-T706 VanDerWaalsContact O-CA 3.3Å; V665-T706 WeakPolarHBondContact O-CA 3.4Å; T666-T706 WeakPolarHBondContact CB-OG1 3.35Å; T666-T706 WeakPolarHBondContact CG2-OG1 3.46Å; T666-T706 PolarHBondContact OG1-OG1 2.91Å; V686-T706 CarbonylContact C-O 3.59Å; V686-T706 WeakPolarHBondContact CA-O 3.36Å; Q687-T706 PolarHBondContact N-O 3.43Å; Q687-T706 PolarHBondContact O-N 3.3Å; T706-L841 HydrophobicContact CG2-CD1 4.25Å; T706-L841 WeakPolarHBondContact O-CD1 3.28Å; T706-F842 HydrophobicContact CG2-CD1 3.96Å; T706-F842 HydrophobicContact CG2-CE1 4.07Å; T706-F842 WeakPolarHBondContact OG1-CE1 3.39Å
707	F	94.5	Very high	93.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	151.3	177.9	52.3	-83.2	0	0	0	110.4	L651 L653 V665 V667 V676 L684 P685 V686 V709 F719	L651-F707 HydrophobicContact CD2-CZ 3.91Å; L653-F707 HydrophobicContact CD1-CE2 4.31Å; V665-F707 PolarHBondContact N-O 3.07Å; V665-F707 PolarHBondContact O-N 3.08Å; V667-F707 HydrophobicContact CG2-CE1 4.13Å; V676-F707 HydrophobicContact CG1-CD1 4.49Å; V676-F707 HydrophobicContact CG1-CD2 4.07Å; V676-F707 HydrophobicContact CG1-CE2 4.09Å; V676-F707 HydrophobicContact CG1-CG 4.29Å; V676-F707 HydrophobicContact CG1-CZ 4.34Å; V676-F707 HydrophobicContact CG2-CD1 3.96Å; V676-F707 HydrophobicContact CG2-CE1 4.22Å; V676-F707 HydrophobicContact CG2-CG 4.33Å; L684-F707 HydrophobicContact CD1-CD2 4.05Å; P685-F707 WeakPolarHBondContact O-CB 3.38Å; V686-F707 HydrophobicContact CG2-CB 4.4Å; F707-V709 HydrophobicContact CD2-CG1 3.41Å; F707-V709 VanDerWaalsContact CD2-CG1 3.41Å; F707-V709 HydrophobicContact CE2-CG1 3.38Å; F707-F719 HydrophobicContact CE2-CD1 4.47Å
708	M	92.2	Very high	93.8	Very high	48 Å²	48	24 Å²	24	24%	0.236	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	133.4	178.6	-174.8	176.3	69.6	0	0	109.8	L101 L662 L841 V861	L101-M708 HydrophobicContact CD1-SD 4.38Å; L662-M708 HydrophobicContact CD1-CG 3.95Å; L662-M708 HydrophobicContact CD1-SD 4.1Å; M708-L841 HydrophobicContact CB-CD2 4.35Å; M708-V861 HydrophobicContact CG-CG1 4Å; M708-V861 HydrophobicContact CG-CG2 4.35Å; M708-V861 HydrophobicContact SD-CG1 3.83Å; M708-V861 HydrophobicContact SD-CG2 4.34Å
709	V	92.4	Very high	94.3	Very high	3 Å²	3	24 Å²	24	2%	0.018	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	145.4	-179.7	-62.6	0	0	0	0	111.1	L653 L662 C663 V665 F707 L711 F719	L653-V709 HydrophobicContact CD1-CB 4.4Å; L653-V709 HydrophobicContact CD1-CG1 3.87Å; L653-V709 HydrophobicContact CD1-CG2 4.21Å; L662-V709 WeakPolarHBondContact CA-O 3.44Å; C663-V709 PolarHBondContact N-O 2.79Å; C663-V709 VanDerWaalsContact N-O 3.08Å; C663-V709 PolarHBondContact O-N 2.84Å; V665-V709 HydrophobicContact CB-CG2 4.27Å; V665-V709 HydrophobicContact CG2-CG2 3.54Å; F707-V709 HydrophobicContact CD2-CG1 3.41Å; F707-V709 VanDerWaalsContact CD2-CG1 3.41Å; F707-V709 HydrophobicContact CE2-CG1 3.38Å; V709-L711 HydrophobicContact CB-CD2 4.18Å; V709-L711 HydrophobicContact CB-CG 4.34Å; V709-L711 HydrophobicContact CG2-CD1 4.07Å; V709-L711 HydrophobicContact CG2-CD2 4.1Å; V709-L711 HydrophobicContact CG2-CG 3.86Å; V709-F719 HydrophobicContact CB-CZ 4.08Å; V709-F719 HydrophobicContact CG1-CE1 3.98Å; V709-F719 HydrophobicContact CG1-CE2 4.33Å; V709-F719 HydrophobicContact CG1-CZ 3.69Å
710	R	90.9	Very high	94.6	Very high	74 Å²	74	24.1 Å²	24.1	28%	0.279	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	111	168	-174.8	178.5	-67.6	-79.3	-3	108.2	D104 E660 R661 L662	D104-R710 IonicContact OD2-CZ 3.91Å; D104-R710 IonicContact OD2-NE 2.7Å; D104-R710 IonicContact OD2-NH2 2.66Å; D104-R710 PolarHBondContact OD2-NH2 2.7Å; E660-R710 HydrophobicContact CG-CG 4.1Å; E660-R710 IonicContact OE2-CZ 3.18Å; E660-R710 IonicContact OE2-NH1 3.78Å; E660-R710 PolarHBondContact OE2-NH1 2.91Å; R661-R710 CarbonylContact O-C 3.6Å; R661-R710 WeakPolarHBondContact O-CA 3.44Å; L662-R710 HydrophobicContact CD1-CB 4.12Å
711	L	94.1	Very high	95	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	133.4	-173.8	-56.7	174.8	0	0	0	111.2	L653 N655 E660 R661 V709 A717 F719 V1024	L653-L711 HydrophobicContact CB-CD1 4.4Å; L653-L711 HydrophobicContact CB-CD2 3.83Å; L653-L711 HydrophobicContact CD1-CD2 4.2Å; N655-L711 HydrophobicContact CB-CB 3.74Å; N655-L711 HydrophobicContact CB-CD1 4.12Å; E660-L711 WeakPolarHBondContact CG-O 3.38Å; R661-L711 HydrophobicContact CB-CB 4.47Å; R661-L711 PolarHBondContact N-O 2.82Å; R661-L711 PolarHBondContact O-N 2.9Å; V709-L711 HydrophobicContact CB-CD2 4.18Å; V709-L711 HydrophobicContact CB-CG 4.34Å; V709-L711 HydrophobicContact CG2-CD1 4.07Å; V709-L711 HydrophobicContact CG2-CD2 4.1Å; V709-L711 HydrophobicContact CG2-CG 3.86Å; L711-A717 HydrophobicContact CD2-CB 3.64Å; L711-F719 HydrophobicContact CD2-CE2 4.24Å; L711-F719 HydrophobicContact CD2-CZ 4.42Å; L711-V1024 HydrophobicContact CD1-CB 4.24Å; L711-V1024 HydrophobicContact CD1-CG1 3.61Å; L711-V1024 HydrophobicContact CD1-CG2 3.51Å
712	P	95.3	Very high	95.2	Very high	22 Å²	22	17.5 Å²	17.5	14%	0.143	8%	0.083	C	C	.	.			trans	-64.7	150.3	176.4	25.5	-32	0	0	0	111.4	N655 L714 G715 T1041 A1043	N655-P712 WeakPolarHBondContact CB-O 3.17Å; N655-P712 PolarHBondContact ND2-O 2.88Å; P712-L714 PolarHBondContact O-N 2.87Å; P712-G715 PolarHBondContact O-N 3.38Å; P712-T1041 HydrophobicContact CG-CG2 4.15Å; P712-A1043 HydrophobicContact CB-CB 3.91Å; P712-A1043 HydrophobicContact CG-CB 4.32Å
713	P	95.6	Very high	95.2	Very high	21 Å²	21	17.3 Å²	17.3	14%	0.136	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	131.3	173.6	-23.7	30.7	0	0	0	112.8	E658 E660 G715 P1044 L1045	E658-P713 WeakPolarHBondContact O-CB 3.4Å; E660-P713 HydrophobicContact CB-CG 4.37Å; P713-G715 PolarHBondContact O-N 2.77Å; P713-P1044 WeakPolarHBondContact O-CD 3.33Å; P713-L1045 HydrophobicContact CB-CD1 3.61Å; P713-L1045 HydrophobicContact CB-CG 4.24Å; P713-L1045 HydrophobicContact CG-CD1 4.37Å
714	L	96.8	Very high	94.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	17	-179.9	-51.1	176.3	0	0	0	114.2	I530 N655 P656 I657 E658 P712 P1044 L1045 L1055	I530-L714 HydrophobicContact CD1-CD2 4.33Å; I530-L714 HydrophobicContact CG2-CD1 4.29Å; I530-L714 HydrophobicContact CG2-CD2 4.33Å; N655-L714 CarbonylContact O-C 3.58Å; N655-L714 WeakPolarHBondContact O-CA 3.25Å; N655-L714 PolarHBondContact O-N 3.04Å; P656-L714 WeakPolarHBondContact O-CD2 3.28Å; I657-L714 VanDerWaalsContact C-CD2 3.45Å; I657-L714 PolarHBondContact O-N 2.99Å; E658-L714 HydrophobicContact CB-CD2 4.31Å; E658-L714 HydrophobicContact CB-CG 4.45Å; P712-L714 PolarHBondContact O-N 2.87Å; L714-P1044 HydrophobicContact CB-CG 3.77Å; L714-P1044 WeakPolarHBondContact O-CG 3.4Å; L714-L1045 HydrophobicContact CD1-CD1 4.47Å; L714-L1045 HydrophobicContact CD1-CD2 4.21Å; L714-L1055 HydrophobicContact CD1-CD2 3.45Å; L714-L1055 VanDerWaalsContact CD1-CD2 3.45Å; L714-L1055 HydrophobicContact CD2-CD2 4.15Å; L714-L1055 HydrophobicContact CG-CD2 4.44Å
715	G	96.7	Very high	93.7	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.11	C	C	.	.			trans	-108.2	172.3	-165.2	0	0	0	0	0	114.1	F654 N655 P712 P713 F1042	F654-G715 WeakPolarHBondContact CD2-O 3.19Å; N655-G715 PolarHBondContact N-O 3.32Å; N655-G715 PolarHBondContact O-N 2.77Å; P712-G715 PolarHBondContact O-N 3.38Å; P713-G715 PolarHBondContact O-N 2.77Å; G715-F1042 CarbonylContact C-O 3.4Å; G715-F1042 WeakPolarHBondContact CA-O 3.1Å
716	L	98.3	Very high	91.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	116.1	-180	-61.9	161.5	0	0	0	108.8	L531 A603 L606 V607 V652 L653 F654 T1041 F1042	L531-L716 HydrophobicContact CD1-CD1 4.08Å; L531-L716 HydrophobicContact CD1-CG 4.37Å; L531-L716 HydrophobicContact CD2-CD1 4.47Å; L531-L716 HydrophobicContact CD2-CD2 4.39Å; A603-L716 HydrophobicContact CB-CD1 3.77Å; A603-L716 HydrophobicContact CB-CD2 3.97Å; L606-L716 HydrophobicContact CB-CD1 3.87Å; L606-L716 HydrophobicContact CD1-CD1 4.16Å; V607-L716 HydrophobicContact CG1-CB 3.72Å; V607-L716 HydrophobicContact CG1-CD1 3.79Å; V607-L716 HydrophobicContact CG1-CG 4.37Å; V652-L716 HydrophobicContact CG1-CB 3.86Å; V652-L716 HydrophobicContact CG1-CD2 3.88Å; V652-L716 HydrophobicContact CG1-CG 4.41Å; L653-L716 CarbonylContact O-C 3.57Å; L653-L716 WeakPolarHBondContact O-CA 3.3Å; F654-L716 HydrophobicContact CB-CD2 3.54Å; F654-L716 HydrophobicContact CD2-CD2 3.68Å; F654-L716 HydrophobicContact CD2-CG 4.28Å; F654-L716 HydrophobicContact CG-CD2 3.87Å; L716-T1041 CarbonylContact O-C 3.6Å; L716-T1041 VanDerWaalsContact O-CA 3.27Å; L716-T1041 WeakPolarHBondContact O-CA 3.49Å; L716-T1041 WeakPolarHBondContact O-CG2 3.33Å; L716-F1042 HydrophobicContact CB-CB 4.2Å; L716-F1042 HydrophobicContact CD1-CB 4.43Å; L716-F1042 HydrophobicContact CD1-CD1 4.33Å; L716-F1042 PolarHBondContact N-O 3.37Å; L716-F1042 PolarHBondContact O-N 3.28Å
717	A	97.9	Very high	90.6	Very high	6 Å²	6	27.5 Å²	27.5	5%	0.05	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	139.9	178.5	0	0	0	0	0	111.4	V652 L653 L711 F719 T1041	V652-A717 CarbonylContact C-O 3.5Å; V652-A717 WeakPolarHBondContact CA-O 3.44Å; L653-A717 PolarHBondContact N-O 3.32Å; L653-A717 PolarHBondContact O-N 3.42Å; L711-A717 HydrophobicContact CD2-CB 3.64Å; A717-F719 HydrophobicContact CB-CE2 3.65Å; A717-F719 HydrophobicContact CB-CZ 4.17Å; A717-T1041 HydrophobicContact CB-CG2 4.41Å
718	V	97.6	Very high	89.7	Confident	3 Å²	3	32 Å²	32	2%	0.018	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	133.4	-176.8	-176.8	0	0	0	0	110.8	Y650 V652 E679 L1039 T1041	Y650-V718 HydrophobicContact CD1-CG1 4.24Å; V652-V718 HydrophobicContact CG2-CG2 4.45Å; E679-V718 PolarHBondContact N-O 3.49Å; V718-L1039 HydrophobicContact CG1-CB 4.15Å; V718-L1039 HydrophobicContact CG2-CB 4.15Å; V718-T1041 PolarHBondContact N-OG1 2.8Å
719	F	96.9	Very high	89.3	Confident	10 Å²	10	30.7 Å²	30.7	4%	0.044	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	156.9	177.3	-60.8	-91.9	0	0	0	111.3	Y650 L651 L653 V676 L677 T678 L684 F707 V709 L711 A717 L721	Y650-F719 WeakPolarHBondContact CA-O 3.34Å; L651-F719 HydrophobicContact CB-CB 4.43Å; L651-F719 PolarHBondContact N-O 3.35Å; L651-F719 PolarHBondContact O-N 2.85Å; L653-F719 HydrophobicContact CB-CE2 4.22Å; L653-F719 HydrophobicContact CD1-CD2 3.95Å; L653-F719 HydrophobicContact CD1-CE2 3.59Å; L653-F719 HydrophobicContact CD1-CZ 4.32Å; L653-F719 HydrophobicContact CG-CD2 4Å; L653-F719 HydrophobicContact CG-CE2 3.93Å; V676-F719 HydrophobicContact CG1-CD1 4.43Å; L677-F719 CarbonylContact O-C 3.57Å; L677-F719 WeakPolarHBondContact O-CA 3.46Å; T678-F719 HydrophobicContact CG2-CE1 4.27Å; L684-F719 HydrophobicContact CD1-CD1 4.11Å; L684-F719 HydrophobicContact CD1-CE1 3.89Å; F707-F719 HydrophobicContact CE2-CD1 4.47Å; V709-F719 HydrophobicContact CB-CZ 4.08Å; V709-F719 HydrophobicContact CG1-CE1 3.98Å; V709-F719 HydrophobicContact CG1-CE2 4.33Å; V709-F719 HydrophobicContact CG1-CZ 3.69Å; L711-F719 HydrophobicContact CD2-CE2 4.24Å; L711-F719 HydrophobicContact CD2-CZ 4.42Å; A717-F719 HydrophobicContact CB-CE2 3.65Å; A717-F719 HydrophobicContact CB-CZ 4.17Å; F719-L721 HydrophobicContact CB-CD1 4.37Å
720	H	95.2	Very high	89.1	Confident	25 Å²	25	31.8 Å²	31.8	12%	0.116	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	124.5	176.5	-48	114.1	0	0	0	110.3	P648 Y650 V676 L677 T678 Y722	P648-H720 HydrophobicContact CB-CB 4.38Å; Y650-H720 AromaticContact CD1-CD2 3.32Å; Y650-H720 WeakPolarHBondContact CD1-CD2 3.38Å; Y650-H720 AromaticContact CD1-NE2 3.57Å; Y650-H720 AromaticContact CE1-CD2 3.18Å; Y650-H720 WeakPolarHBondContact CE1-CD2 3.5Å; Y650-H720 AromaticContact CE1-NE2 3.14Å; Y650-H720 WeakPolarHBondContact CE1-NE2 3.37Å; Y650-H720 AromaticContact CZ-CD2 3.9Å; V676-H720 CarbonylContact C-O 3.58Å; V676-H720 WeakPolarHBondContact CA-O 3.39Å; L677-H720 HydrophobicContact CB-CB 4.18Å; L677-H720 PolarHBondContact N-O 2.86Å; L677-H720 PolarHBondContact O-N 3.03Å; T678-H720 PolarHBondContact O-ND1 2.94Å; H720-Y722 HydrophobicContact CB-CD2 4.32Å; H720-Y722 HydrophobicContact CB-CE2 3.61Å
721	L	95.3	Very high	89	Confident	1 Å²	1	29.6 Å²	29.6	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	133.2	175.8	-75	63.3	0	0	0	109.1	I641 L643 P648 R649 L651 V667 R675 V676 F719	I641-L721 HydrophobicContact CD1-CD2 4.27Å; I641-L721 HydrophobicContact CG2-CD2 4.27Å; L643-L721 HydrophobicContact CD1-CB 4.35Å; L643-L721 HydrophobicContact CD2-CB 3.61Å; L643-L721 HydrophobicContact CD2-CD2 4.33Å; P648-L721 WeakPolarHBondContact CA-O 3.23Å; R649-L721 HydrophobicContact CB-CB 4.23Å; R649-L721 PolarHBondContact N-O 3.28Å; R649-L721 PolarHBondContact O-N 3.26Å; L651-L721 HydrophobicContact CB-CD1 3.72Å; L651-L721 HydrophobicContact CD2-CD1 3.97Å; L651-L721 HydrophobicContact CD2-CD2 4.5Å; V667-L721 HydrophobicContact CG2-CD2 4.18Å; R675-L721 CarbonylContact O-C 3.56Å; R675-L721 WeakPolarHBondContact O-CA 3.49Å; V676-L721 HydrophobicContact CG1-CD1 4.42Å; V676-L721 HydrophobicContact CG2-CG 4.24Å; F719-L721 HydrophobicContact CB-CD1 4.37Å
722	Y	93.6	Very high	88.8	Confident	73 Å²	73	35.3 Å²	35.3	29%	0.286	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	145.7	179.9	-67.5	-96.5	0	0	0	111.1	P648 R675 L677 H720	P648-Y722 HydrophobicContact CB-CD1 4.18Å; P648-Y722 HydrophobicContact CB-CE1 3.62Å; P648-Y722 HydrophobicContact CB-CE2 3.98Å; P648-Y722 HydrophobicContact CG-CE1 3.99Å; R675-Y722 PolarHBondContact N-O 2.91Å; R675-Y722 PolarHBondContact O-N 2.95Å; L677-Y722 HydrophobicContact CD1-CD2 4.28Å; L677-Y722 HydrophobicContact CD1-CE2 3.61Å; L677-Y722 HydrophobicContact CG-CD2 4.32Å; L677-Y722 HydrophobicContact CG-CE2 4.03Å; H720-Y722 HydrophobicContact CB-CD2 4.32Å; H720-Y722 HydrophobicContact CB-CE2 3.61Å
723	D	93.1	Very high	88.6	Confident	27 Å²	27	34.2 Å²	34.2	14%	0.144	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	107.4	158.4	-174.2	-5.4	0	0	0	108.6	L643 T671 R673	L643-D723 HydrophobicContact CB-CB 4.08Å; T671-D723 HydrophobicContact CG2-CB 4.24Å; R673-D723 WeakPolarHBondContact CB-OD1 3.29Å; R673-D723 IonicContact CZ-OD1 3.87Å; R673-D723 VanDerWaalsContact CZ-OD1 3.29Å; R673-D723 IonicContact CZ-OD2 3.58Å; R673-D723 IonicContact NE-OD1 3.74Å; R673-D723 PolarHBondContact NE-OD1 3.17Å; R673-D723 IonicContact NE-OD2 3.52Å; R673-D723 VanDerWaalsContact NH2-CG 3.31Å; R673-D723 IonicContact NH2-OD1 3.87Å; R673-D723 PolarHBondContact NH2-OD1 3.3Å; R673-D723 VanDerWaalsContact NH2-OD1 3.09Å; R673-D723 IonicContact NH2-OD2 3.21Å; R673-D723 PolarHBondContact NH2-OD2 3.32Å; R673-D723 CarbonylContact O-C 3.49Å; R673-D723 VanDerWaalsContact O-CA 3.27Å; R673-D723 WeakPolarHBondContact O-CA 3.25Å
724	S	87.3	Confident	88.4	Confident	36 Å²	36	35.8 Å²	35.8	25%	0.252	20%	0.196	S	C	.	.			trans	-144.6	122.4	-174.3	-172.2	0	0	0	0	111.9	R673 D726	R673-S724 CarbonylContact C-O 3.18Å; R673-S724 WeakPolarHBondContact CB-O 3.49Å; R673-S724 PolarHBondContact O-N 2.84Å; S724-D726 VanDerWaalsContact C-N 3.34Å; S724-D726 PolarHBondContact O-N 2.91Å
725	A	71	Confident	88.3	Confident	70 Å²	70	36 Å²	36	58%	0.579	20%	0.198	S	C	*	.	S	Bend	trans	-70.5	-23.1	-175.1	0	0	0	0	0	114.8
726	D	58.5	Low	88.1	Confident	140 Å²	140	38.1 Å²	38.1	75%	0.749	21%	0.209	S	C	*	.			trans	-115.7	46.6	-166	-65.7	-40.6	0	0	0	113.3	S724 P728	S724-D726 VanDerWaalsContact C-N 3.34Å; S724-D726 PolarHBondContact O-N 2.91Å; D726-P728 WeakPolarHBondContact O-CD 3.43Å
727	S	70.2	Confident	87.7	Confident	18 Å²	18	38.2 Å²	38.2	13%	0.126	21%	0.209	C	C	.	.			trans	-101	98.3	175.6	-177.9	0	0	0	0	110.7	M729 T730	S727-M729 PolarHBondContact O-N 2.86Å; S727-M729 VanDerWaalsContact O-N 3.09Å; S727-T730 WeakPolarHBondContact CB-OG1 3.36Å; S727-T730 PolarHBondContact O-N 3Å; S727-T730 PolarHBondContact OG-OG1 3.02Å
728	P	75.2	Confident	87.4	Confident	94 Å²	94	38.5 Å²	38.5	61%	0.61	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-19.8	172	26.3	-34.5	0	0	0	111.9	L90 D726 T730	L90-P728 HydrophobicContact CD1-CB 4.28Å; L90-P728 VanDerWaalsContact CD2-C 3.48Å; L90-P728 HydrophobicContact CD2-CB 4.2Å; L90-P728 WeakPolarHBondContact CD2-O 3.16Å; D726-P728 WeakPolarHBondContact O-CD 3.43Å; P728-T730 PolarHBondContact O-N 2.84Å
729	M	83.1	Confident	86.9	Confident	21 Å²	21	39 Å²	39	10%	0.103	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-6.3	178	-59.7	-66.5	-76.9	0	0	113.5	L90 T683 P685 V686 S727	L90-M729 HydrophobicContact CD2-CG 4.39Å; L90-M729 HydrophobicContact CD2-SD 3.54Å; L90-M729 VanDerWaalsContact CD2-SD 3.54Å; L90-M729 HydrophobicContact CG-SD 4.46Å; T683-M729 HydrophobicContact CG2-CB 4.16Å; T683-M729 HydrophobicContact CG2-CG 3.92Å; P685-M729 CarbonylContact C-O 3.57Å; P685-M729 WeakPolarHBondContact CA-O 3.25Å; P685-M729 HydrophobicContact CB-CE 4.23Å; P685-M729 HydrophobicContact CG-CE 3.56Å; V686-M729 PolarHBondContact N-O 2.78Å; S727-M729 PolarHBondContact O-N 2.86Å; S727-M729 VanDerWaalsContact O-N 3.09Å
730	T	88.1	Confident	85.9	Confident	26 Å²	26	39.8 Å²	39.8	16%	0.16	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	102.1	-178.3	-51.8	0	0	0	0	110	V674 V686 L688 S727 P728	V674-T730 PolarHBondContact O-OG1 3.47Å; V686-T730 HydrophobicContact CB-CG2 4.33Å; V686-T730 HydrophobicContact CG1-CG2 4.45Å; V686-T730 CarbonylContact O-C 3.6Å; V686-T730 WeakPolarHBondContact O-CA 3.31Å; L688-T730 HydrophobicContact CB-CG2 4.31Å; S727-T730 WeakPolarHBondContact CB-OG1 3.36Å; S727-T730 PolarHBondContact O-N 3Å; S727-T730 PolarHBondContact OG-OG1 3.02Å; P728-T730 PolarHBondContact O-N 2.84Å
731	I	88.8	Confident	84.4	Confident	27 Å²	27	43 Å²	43	14%	0.138	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	129.3	-174.1	-58.8	171.5	0	0	0	109.2	P91 W99 V686 Q687 L688 P840	P91-I731 HydrophobicContact CB-CD1 3.64Å; P91-I731 HydrophobicContact CG-CD1 3.62Å; W99-I731 HydrophobicContact CH2-CG2 4.12Å; V686-I731 PolarHBondContact O-N 2.93Å; Q687-I731 CarbonylContact C-O 3.28Å; Q687-I731 WeakPolarHBondContact CA-O 3.21Å; L688-I731 PolarHBondContact N-O 3.15Å; I731-P840 HydrophobicContact CB-CG 3.96Å; I731-P840 HydrophobicContact CD1-CB 4.38Å; I731-P840 HydrophobicContact CD1-CG 3.94Å; I731-P840 HydrophobicContact CG2-CG 3.86Å
732	R	89.9	Confident	82.7	Confident	121 Å²	121	48.8 Å²	48.8	46%	0.457	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	132	179.6	-61.3	179.9	-167.3	160.8	-1.1	109.6	P751 L752	R732-P751 WeakPolarHBondContact CD-O 3.19Å; R732-P751 PolarHBondContact NH1-O 2.98Å; R732-L752 HydrophobicContact CB-CD2 3.99Å; R732-L752 HydrophobicContact CG-CD2 4.28Å
733	S	92.4	Very high	80.6	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-72.7	144.9	173.8	60.6	0	0	0	0	111.3	L688 S689 E838	L688-S733 PolarHBondContact O-N 3.46Å; L688-S733 PolarHBondContact O-OG 3.49Å; S689-S733 WeakPolarHBondContact CA-OG 3.35Å; S689-S733 WeakPolarHBondContact CB-OG 3.28Å; S689-S733 VanDerWaalsContact OG-CB 3.28Å; S689-S733 WeakPolarHBondContact OG-CB 3.37Å; S689-S733 PolarHBondContact OG-OG 2.97Å; S733-E838 CarbonylContact C-O 3.57Å; S733-E838 VanDerWaalsContact CA-O 3.31Å; S733-E838 WeakPolarHBondContact CA-O 3.24Å; S733-E838 WeakPolarHBondContact CB-O 3.46Å
734	D	91.8	Very high	78.6	Confident	53 Å²	53	52 Å²	52	28%	0.283	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	135.1	170.8	-72.5	-50.9	0	0	0	110.1	R93 P753 V837 E838	R93-D734 IonicContact NH2-OD2 2.76Å; D734-P753 WeakPolarHBondContact OD1-CG 3.04Å; D734-V837 WeakPolarHBondContact O-CA 3.5Å; D734-E838 PolarHBondContact N-O 2.82Å; D734-E838 PolarHBondContact O-N 3.45Å
735	T	93	Very high	77.1	Confident	5 Å²	5	55.6 Å²	55.6	3%	0.031	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	129.9	172.5	-57.4	0	0	0	0	111.9	W692 P753 V754 R755 R835 V836 V837	W692-T735 HydrophobicContact CH2-CG2 4.03Å; W692-T735 HydrophobicContact CZ2-CG2 3.67Å; T735-P753 PolarHBondContact N-O 3.21Å; T735-V754 HydrophobicContact CG2-CG1 4.48Å; T735-V754 WeakPolarHBondContact O-CA 3.21Å; T735-R755 PolarHBondContact O-N 3.2Å; T735-R835 HydrophobicContact CG2-CG 3.58Å; T735-V836 CarbonylContact C-O 3.53Å; T735-V836 WeakPolarHBondContact CA-O 3.47Å; T735-V837 HydrophobicContact CG2-CG2 4.37Å
736	L	92.6	Very high	76.3	Confident	44 Å²	44	53.5 Å²	53.5	23%	0.23	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	121.3	170.5	-178.3	66.9	0	0	0	110.4	R738 R755 Q757 V836	L736-R738 HydrophobicContact CD2-CG 4.23Å; L736-R738 HydrophobicContact CG-CG 4.25Å; L736-R755 CarbonylContact C-O 3.52Å; L736-R755 WeakPolarHBondContact CA-O 3.46Å; L736-R755 HydrophobicContact CD1-CB 4.04Å; L736-Q757 HydrophobicContact CD1-CB 4.32Å; L736-Q757 HydrophobicContact CD1-CG 3.81Å; L736-Q757 HydrophobicContact CD2-CG 4.3Å; L736-Q757 HydrophobicContact CG-CG 4.21Å; L736-V836 HydrophobicContact CB-CB 4.32Å; L736-V836 PolarHBondContact N-O 2.98Å; L736-V836 PolarHBondContact O-N 3.34Å
737	L	91	Very high	76.2	Confident	2 Å²	2	57.4 Å²	57.4	1%	0.01	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	115.7	172	-65.6	170.9	0	0	0	109.4	W692 A746 V754 R755 S756 Q757 R835	W692-L737 HydrophobicContact CH2-CD1 4.47Å; W692-L737 HydrophobicContact CH2-CD2 4.45Å; W692-L737 HydrophobicContact CZ3-CD1 4.49Å; W692-L737 HydrophobicContact CZ3-CD2 4.47Å; L737-A746 HydrophobicContact CD1-CB 3.48Å; L737-A746 VanDerWaalsContact CD1-CB 3.48Å; L737-V754 HydrophobicContact CD1-CG1 3.62Å; L737-V754 HydrophobicContact CG-CG1 4.06Å; L737-R755 PolarHBondContact N-O 3Å; L737-S756 CarbonylContact O-C 3.57Å; L737-S756 VanDerWaalsContact O-CA 3.3Å; L737-S756 WeakPolarHBondContact O-CA 3.32Å; L737-Q757 PolarHBondContact O-N 3.09Å; L737-R835 HydrophobicContact CD2-CB 3.87Å; L737-R835 HydrophobicContact CD2-CG 3.86Å
738	R	91.1	Very high	75.5	Confident	13 Å²	13	59.6 Å²	59.6	5%	0.049	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	113.8	173.4	-53.9	177.6	69.5	92.6	4.3	108.2	L736 Q757 D760 V834	L736-R738 HydrophobicContact CD2-CG 4.23Å; L736-R738 HydrophobicContact CG-CG 4.25Å; R738-Q757 WeakPolarHBondContact CA-O 3.48Å; R738-Q757 HydrophobicContact CG-CG 4.03Å; R738-Q757 VanDerWaalsContact CZ-NE2 3.3Å; R738-D760 IonicContact CZ-OD2 3.45Å; R738-D760 IonicContact NH2-OD1 3.42Å; R738-D760 PolarHBondContact NH2-OD1 3.01Å; R738-D760 IonicContact NH2-OD2 2.83Å; R738-D760 PolarHBondContact NH2-OD2 2.75Å; R738-V834 HydrophobicContact CB-CB 4.23Å; R738-V834 PolarHBondContact N-O 3.03Å; R738-V834 PolarHBondContact O-N 2.8Å; R738-V834 VanDerWaalsContact O-N 3.14Å
739	L	86.4	Confident	74.8	Confident	14 Å²	14	58.4 Å²	58.4	7%	0.073	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	127.6	-174.9	-61.2	176.6	0	0	0	110.6	T696 R742 Q757 A759 A833	T696-L739 HydrophobicContact CG2-CD1 4.48Å; T696-L739 HydrophobicContact CG2-CD2 4.11Å; L739-R742 HydrophobicContact CB-CB 4.5Å; L739-Q757 PolarHBondContact N-O 2.89Å; L739-A759 PolarHBondContact O-N 3.15Å; L739-A833 HydrophobicContact CD2-CB 3.89Å
740	S	77.2	Confident	73.7	Confident	26 Å²	26	64.7 Å²	64.7	18%	0.182	37%	0.374	C	S	.	.	S	Bend	trans	-92.6	116.4	173.7	-68.3	0	0	0	0	110	R742 A759 P831	S740-R742 PolarHBondContact O-N 2.9Å; S740-A759 WeakPolarHBondContact OG-CB 3.23Å; S740-P831 WeakPolarHBondContact O-CG 3.32Å
741	G	63.2	Low	72.9	Confident	92 Å²	92	64.5 Å²	64.5	95%	0.948	37%	0.373	S	S	*	.	S	Bend	trans	68.1	3.1	170.9	0	0	0	0	0	117
742	R	58.4	Low	72.7	Confident	122 Å²	122	63.4 Å²	63.4	46%	0.46	37%	0.367	S	S	.	.			trans	-103.1	119.1	175.6	-67.9	-177.4	174.9	-173.4	0.2	110.5	L739 S740 G744 E830	L739-R742 HydrophobicContact CB-CB 4.5Å; S740-R742 PolarHBondContact O-N 2.9Å; R742-G744 PolarHBondContact O-N 3.19Å; R742-E830 IonicContact CZ-OE2 3.12Å; R742-E830 IonicContact NE-OE2 2.77Å; R742-E830 IonicContact NH2-OE2 3.35Å; R742-E830 PolarHBondContact NH2-OE2 3.48Å
743	S	49.7	Very low	72.5	Confident	134 Å²	134	59.8 Å²	59.8	94%	0.937	36%	0.36	S	S	*	.			trans	-78.5	62.8	167.7	51.7	0	0	0	0	110.8
744	G	52.4	Low	72.3	Confident	35 Å²	35	60.9 Å²	60.9	36%	0.361	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-98.4	117.2	176.8	0	0	0	0	0	111.4	R742	R742-G744 PolarHBondContact O-N 3.19Å
745	S	54.6	Low	72.1	Confident	111 Å²	111	66.6 Å²	66.6	78%	0.776	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-77.7	119.9	159	61.4	0	0	0	0	108.1	R747	S745-R747 PolarHBondContact O-N 2.81Å
746	A	55.2	Low	71.8	Confident	26 Å²	26	69.4 Å²	69.4	22%	0.215	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-68.2	132.8	166.2	0	0	0	0	0	107.9	L737 A748 V754	L737-A746 HydrophobicContact CD1-CB 3.48Å; L737-A746 VanDerWaalsContact CD1-CB 3.48Å; A746-A748 PolarHBondContact O-N 3.17Å; A746-A748 VanDerWaalsContact O-N 3.07Å; A746-V754 HydrophobicContact CB-CG1 3.82Å
747	R	55.8	Low	71.6	Confident	222 Å²	222	70.3 Å²	70.3	84%	0.838	41%	0.407	S	S	*	.			trans	-74.9	98	169	-72.6	-175.3	-179.5	178.4	0.2	107.3	S745 L749	S745-R747 PolarHBondContact O-N 2.81Å; R747-L749 PolarHBondContact O-N 2.85Å
748	A	55.1	Low	71.4	Confident	63 Å²	63	75.3 Å²	75.3	52%	0.521	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-59.3	122.4	166	0	0	0	0	0	107.9	A746	A746-A748 PolarHBondContact O-N 3.17Å; A746-A748 VanDerWaalsContact O-N 3.07Å
749	L	60.5	Low	71.1	Confident	70 Å²	70	75.9 Å²	75.9	37%	0.366	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-95	121.6	159.8	-68.7	116.1	0	0	0	107.2	M698 A700 R747 L752	M698-L749 HydrophobicContact CE-CB 3.49Å; M698-L749 VanDerWaalsContact CE-CB 3.49Å; M698-L749 HydrophobicContact CE-CD1 3.79Å; M698-L749 HydrophobicContact CE-CG 4.26Å; A700-L749 HydrophobicContact CB-CD1 4.31Å; A700-L749 HydrophobicContact CB-CD2 3.77Å; R747-L749 PolarHBondContact O-N 2.85Å; L749-L752 PolarHBondContact O-N 2.92Å; L749-L752 VanDerWaalsContact O-N 3.1Å
750	D	60	Low	71.2	Confident	153 Å²	153	77.9 Å²	77.9	82%	0.818	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	120.6	163	-173.3	20.1	0	0	0	107.1
751	P	71	Confident	71.8	Confident	22 Å²	22	81 Å²	81	14%	0.143	49%	0.485	C	S	.	.	T	Hydrogen-bonded Turn	cis	-115.1	7.8	27.3	19.1	1.6	0	0	0	118.8	V672 R732	V672-P751 HydrophobicContact CB-CG 3.78Å; V672-P751 HydrophobicContact CG1-CG 3.76Å; V672-P751 HydrophobicContact CG2-CG 3.61Å; R732-P751 WeakPolarHBondContact CD-O 3.19Å; R732-P751 PolarHBondContact NH1-O 2.98Å
752	L	85.8	Confident	73.2	Confident	3 Å²	3	83.7 Å²	83.7	2%	0.016	47%	0.473	C	S	.	.	S	Bend	trans	-93.8	116.8	-175.1	-71.8	167.7	0	0	0	110.9	L688 A690 M698 F703 R732 L749 V754	L688-L752 HydrophobicContact CD2-CD2 4.39Å; A690-L752 HydrophobicContact CB-CD1 3.92Å; M698-L752 HydrophobicContact CE-CB 4.25Å; M698-L752 HydrophobicContact SD-CB 4.01Å; M698-L752 HydrophobicContact SD-CD1 3.92Å; F703-L752 HydrophobicContact CD1-CD1 3.68Å; F703-L752 HydrophobicContact CE1-CD1 4.04Å; R732-L752 HydrophobicContact CB-CD2 3.99Å; R732-L752 HydrophobicContact CG-CD2 4.28Å; L749-L752 PolarHBondContact O-N 2.92Å; L749-L752 VanDerWaalsContact O-N 3.1Å; L752-V754 PolarHBondContact O-N 3.49Å
753	P	85.2	Confident	74.9	Confident	45 Å²	45	80.4 Å²	80.4	29%	0.292	47%	0.467	S	S	.	.			trans	-70.2	124.6	-176.5	27.1	-32.3	0	0	0	111.3	D734 T735	D734-P753 WeakPolarHBondContact OD1-CG 3.04Å; T735-P753 PolarHBondContact N-O 3.21Å
754	V	87.8	Confident	77.2	Confident	24 Å²	24	75.2 Å²	75.2	15%	0.145	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	123	174.2	-176.3	0	0	0	0	108.9	W692 T735 L737 A746 L752	W692-V754 HydrophobicContact CH2-CG1 4.23Å; W692-V754 HydrophobicContact CH2-CG2 4.09Å; W692-V754 HydrophobicContact CZ2-CG2 4.48Å; T735-V754 HydrophobicContact CG2-CG1 4.48Å; T735-V754 WeakPolarHBondContact O-CA 3.21Å; L737-V754 HydrophobicContact CD1-CG1 3.62Å; L737-V754 HydrophobicContact CG-CG1 4.06Å; A746-V754 HydrophobicContact CB-CG1 3.82Å; L752-V754 PolarHBondContact O-N 3.49Å
755	R	88.8	Confident	79.3	Confident	172 Å²	172	79 Å²	79	65%	0.649	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.4	146.4	173.7	-60	179.5	-169.5	172.2	6	109.2	T735 L736 L737	T735-R755 PolarHBondContact O-N 3.2Å; L736-R755 CarbonylContact C-O 3.52Å; L736-R755 WeakPolarHBondContact CA-O 3.46Å; L736-R755 HydrophobicContact CD1-CB 4.04Å; L737-R755 PolarHBondContact N-O 3Å
756	S	86.4	Confident	81.3	Confident	65 Å²	65	73.7 Å²	73.7	46%	0.455	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	142.1	169.8	56.7	0	0	0	0	110.3	L737	L737-S756 CarbonylContact O-C 3.57Å; L737-S756 VanDerWaalsContact O-CA 3.3Å; L737-S756 WeakPolarHBondContact O-CA 3.32Å
757	Q	87.9	Confident	83.1	Confident	62 Å²	62	74.3 Å²	74.3	29%	0.29	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	153.1	170.7	68.9	171.5	64.3	0	0	111	L736 L737 R738 L739	L736-Q757 HydrophobicContact CD1-CB 4.32Å; L736-Q757 HydrophobicContact CD1-CG 3.81Å; L736-Q757 HydrophobicContact CD2-CG 4.3Å; L736-Q757 HydrophobicContact CG-CG 4.21Å; L737-Q757 PolarHBondContact O-N 3.09Å; R738-Q757 WeakPolarHBondContact CA-O 3.48Å; R738-Q757 HydrophobicContact CG-CG 4.03Å; R738-Q757 VanDerWaalsContact CZ-NE2 3.3Å; L739-Q757 PolarHBondContact N-O 2.89Å
758	P	86.5	Confident	84.9	Confident	108 Å²	108	63.9 Å²	63.9	70%	0.701	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.9	139.8	167.5	-21.1	33.2	0	0	0	110.5
759	A	85.8	Confident	86.3	Confident	25 Å²	25	64.9 Å²	64.9	21%	0.207	35%	0.352	C	S	.	.			trans	-69.5	134.3	168.4	0	0	0	0	0	109.9	L739 S740	L739-A759 PolarHBondContact O-N 3.15Å; S740-A759 WeakPolarHBondContact OG-CB 3.23Å
760	D	88.4	Confident	87.7	Confident	56 Å²	56	63.5 Å²	63.5	30%	0.299	35%	0.347	S	S	.	.			trans	-122.4	166.6	177.1	66.4	69.6	0	0	0	110.1	R738 Q762 G777 T778	R738-D760 IonicContact CZ-OD2 3.45Å; R738-D760 IonicContact NH2-OD1 3.42Å; R738-D760 PolarHBondContact NH2-OD1 3.01Å; R738-D760 IonicContact NH2-OD2 2.83Å; R738-D760 PolarHBondContact NH2-OD2 2.75Å; D760-Q762 VanDerWaalsContact C-N 3.25Å; D760-Q762 PolarHBondContact O-N 3.39Å; D760-Q762 WeakPolarHBondContact OD1-CA 3.1Å; D760-Q762 WeakPolarHBondContact OD1-CB 3.21Å; D760-Q762 PolarHBondContact OD1-N 3.07Å; D760-G777 CarbonylContact O-C 3.51Å; D760-G777 WeakPolarHBondContact O-CA 3.23Å; D760-T778 PolarHBondContact O-N 3.04Å
761	A	88.8	Confident	89.3	Confident	91 Å²	91	56.5 Å²	56.5	75%	0.752	31%	0.309	S	S	*	.	S	Bend	trans	-77.8	-4.4	-176.6	0	0	0	0	0	114.4
762	Q	93.1	Very high	90.5	Very high	148 Å²	148	56.8 Å²	56.8	69%	0.692	31%	0.31	S	S	*	.	S	Bend	trans	-79.4	138.1	-177.3	-56.8	-175.9	-18	0	0	110.7	D760 F764 G777	D760-Q762 VanDerWaalsContact C-N 3.25Å; D760-Q762 PolarHBondContact O-N 3.39Å; D760-Q762 WeakPolarHBondContact OD1-CA 3.1Å; D760-Q762 WeakPolarHBondContact OD1-CB 3.21Å; D760-Q762 PolarHBondContact OD1-N 3.07Å; Q762-F764 PolarHBondContact O-N 2.88Å; Q762-G777 WeakPolarHBondContact O-CA 3.23Å; Q762-G777 PolarHBondContact O-N 3.22Å
763	T	95.1	Very high	91.1	Very high	53 Å²	53	56.6 Å²	56.6	33%	0.325	31%	0.31	S	S	.	.			trans	-61.7	132.6	170.3	-55.3	0	0	0	0	109.4	Y765 F775 E783	T763-Y765 HydrophobicContact CG2-CE1 4.18Å; T763-Y765 HydrophobicContact CG2-CE2 4.09Å; T763-F775 CarbonylContact C-O 3.48Å; T763-F775 VanDerWaalsContact CA-O 3.25Å; T763-F775 WeakPolarHBondContact CA-O 3.48Å; T763-F775 WeakPolarHBondContact CG2-O 3.2Å; T763-E783 WeakPolarHBondContact CG2-OE2 3.37Å; T763-E783 PolarHBondContact OG1-OE2 2.96Å
764	F	96.3	Very high	91.7	Very high	25 Å²	25	54.5 Å²	54.5	11%	0.11	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	162.5	172.5	70.4	-86.7	0	0	0	110.2	Q762 F775 S776 V834 V836 V845	Q762-F764 PolarHBondContact O-N 2.88Å; F764-F775 HydrophobicContact CD1-CB 4.13Å; F764-F775 WeakPolarHBondContact CD1-O 3.41Å; F764-F775 HydrophobicContact CD2-CB 4.29Å; F764-F775 HydrophobicContact CE1-CB 3.62Å; F764-F775 HydrophobicContact CE2-CB 3.79Å; F764-F775 HydrophobicContact CE2-CD2 4.28Å; F764-F775 HydrophobicContact CE2-CG 4.18Å; F764-F775 HydrophobicContact CG-CB 4.45Å; F764-F775 HydrophobicContact CZ-CB 3.43Å; F764-F775 VanDerWaalsContact CZ-CB 3.43Å; F764-F775 HydrophobicContact CZ-CG 4.09Å; F764-F775 PolarHBondContact N-O 3.42Å; F764-F775 PolarHBondContact O-N 3.4Å; F764-S776 WeakPolarHBondContact CE1-O 3.34Å; F764-V834 HydrophobicContact CZ-CG1 4.08Å; F764-V836 HydrophobicContact CD2-CG2 4.18Å; F764-V836 HydrophobicContact CE2-CG1 4.37Å; F764-V836 HydrophobicContact CE2-CG2 3.43Å; F764-V836 VanDerWaalsContact CE2-CG2 3.43Å; F764-V836 HydrophobicContact CZ-CG2 3.85Å; F764-V845 HydrophobicContact CE2-CG1 4.43Å; F764-V845 HydrophobicContact CE2-CG2 3.81Å; F764-V845 HydrophobicContact CZ-CG1 4.05Å; F764-V845 HydrophobicContact CZ-CG2 4.24Å
765	Y	96.6	Very high	92.2	Very high	114 Å²	114	53.3 Å²	53.3	45%	0.447	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	148.2	-171.2	-59.5	-92.7	0	0	0	112	T763 T772 L773 G774	T763-Y765 HydrophobicContact CG2-CE1 4.18Å; T763-Y765 HydrophobicContact CG2-CE2 4.09Å; Y765-T772 HydrophobicContact CD1-CG2 3.9Å; Y765-T772 HydrophobicContact CG-CG2 4.4Å; Y765-L773 WeakPolarHBondContact CA-O 3.4Å; Y765-G774 VanDerWaalsContact CD1-CA 3.45Å
766	I	96.6	Very high	92.6	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	149	159.2	57.1	168.7	0	0	0	108.8	T772 L773 F775 V836 V845 I858	I766-T772 WeakPolarHBondContact O-CA 3.47Å; I766-L773 HydrophobicContact CG1-CB 4.14Å; I766-L773 PolarHBondContact N-O 2.83Å; I766-L773 VanDerWaalsContact N-O 3.12Å; I766-L773 PolarHBondContact O-N 2.69Å; I766-F775 HydrophobicContact CD1-CE2 3.93Å; I766-F775 HydrophobicContact CD1-CZ 4.3Å; I766-F775 HydrophobicContact CG1-CD2 4.42Å; I766-F775 HydrophobicContact CG1-CE2 3.68Å; I766-V836 HydrophobicContact CG2-CG1 3.76Å; I766-V845 HydrophobicContact CD1-CG2 4.12Å; I766-V845 HydrophobicContact CG2-CG2 4.27Å; I766-I858 HydrophobicContact CB-CD1 4.33Å; I766-I858 HydrophobicContact CD1-CD1 3.81Å; I766-I858 HydrophobicContact CD1-CG1 3.79Å; I766-I858 HydrophobicContact CG1-CD1 3.77Å; I766-I858 HydrophobicContact CG1-CG1 4.31Å
767	S	94.6	Very high	92.9	Very high	39 Å²	39	42.7 Å²	42.7	27%	0.273	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	143.7	-172.7	-168.7	0	0	0	0	112.6	L771 T772 K788	S767-L771 CarbonylContact C-O 3.39Å; S767-L771 WeakPolarHBondContact CA-O 3.37Å; S767-L771 PolarHBondContact OG-O 3.26Å; S767-T772 PolarHBondContact OG-OG1 3.44Å; S767-K788 WeakPolarHBondContact OG-CE 3.36Å; S767-K788 PolarHBondContact OG-NZ 3.49Å
768	T	91.9	Very high	93	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.012	24%	0.244	C	C	.	.			trans	-118.7	-173.5	170.2	62.8	0	0	0	0	109.5	T770 L771 K788 I858 N860	T768-T770 PolarHBondContact O-N 3.32Å; T768-T770 PolarHBondContact OG1-N 3.25Å; T768-T770 PolarHBondContact OG1-OG1 2.94Å; T768-T770 VanDerWaalsContact OG1-OG1 3.08Å; T768-L771 PolarHBondContact N-O 2.99Å; T768-L771 PolarHBondContact OG1-N 2.73Å; T768-L771 PolarHBondContact OG1-O 2.66Å; T768-K788 WeakPolarHBondContact O-CE 3.5Å; T768-K788 PolarHBondContact O-NZ 3.42Å; T768-I858 HydrophobicContact CG2-CB 3.98Å; T768-I858 HydrophobicContact CG2-CD1 3.69Å; T768-I858 HydrophobicContact CG2-CG1 3.64Å; T768-N860 HydrophobicContact CG2-CB 4.02Å
769	Q	86	Confident	93.4	Very high	85 Å²	85	39.5 Å²	39.5	40%	0.397	22%	0.224	S	C	.	.	S	Bend	trans	-66.1	-20	172.3	-70	179.3	12.7	0	0	114.2	K788 N860	Q769-K788 WeakPolarHBondContact O-CD 3.35Å; Q769-N860 WeakPolarHBondContact CG-OD1 3.42Å; Q769-N860 PolarHBondContact N-OD1 2.75Å
770	T	88.9	Confident	93.8	Very high	41 Å²	41	38.3 Å²	38.3	25%	0.252	21%	0.214	S	C	.	.	S	Bend	trans	-112.1	-34.2	-172.5	47.2	0	0	0	0	113	T768 K788 G866 L867	T768-T770 PolarHBondContact O-N 3.32Å; T768-T770 PolarHBondContact OG1-N 3.25Å; T768-T770 PolarHBondContact OG1-OG1 2.94Å; T768-T770 VanDerWaalsContact OG1-OG1 3.08Å; T770-K788 PolarHBondContact O-N 3.2Å; T770-G866 WeakPolarHBondContact CB-O 3.33Å; T770-G866 PolarHBondContact OG1-O 2.9Å; T770-L867 HydrophobicContact CG2-CD2 4.37Å
771	L	93.8	Very high	94.3	Very high	6 Å²	6	36.7 Å²	36.7	3%	0.031	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	150.9	-170.9	-62.8	175.4	0	0	0	111.8	S767 T768 I785 K786 R787 I858 V869	S767-L771 CarbonylContact C-O 3.39Å; S767-L771 WeakPolarHBondContact CA-O 3.37Å; S767-L771 PolarHBondContact OG-O 3.26Å; T768-L771 PolarHBondContact N-O 2.99Å; T768-L771 PolarHBondContact OG1-N 2.73Å; T768-L771 PolarHBondContact OG1-O 2.66Å; L771-I785 HydrophobicContact CD2-CG2 4.37Å; L771-K786 CarbonylContact C-O 3.54Å; L771-K786 WeakPolarHBondContact CA-O 3.45Å; L771-R787 HydrophobicContact CD2-CG 3.85Å; L771-I858 HydrophobicContact CD1-CG2 4.37Å; L771-V869 HydrophobicContact CD1-CG2 4.1Å
772	T	96.7	Very high	94.7	Very high	27 Å²	27	32.4 Å²	32.4	17%	0.166	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	129.2	163.1	-62.9	0	0	0	0	107.8	Y765 I766 S767 K786	Y765-T772 HydrophobicContact CD1-CG2 3.9Å; Y765-T772 HydrophobicContact CG-CG2 4.4Å; I766-T772 WeakPolarHBondContact O-CA 3.47Å; S767-T772 PolarHBondContact OG-OG1 3.44Å; T772-K786 PolarHBondContact N-O 2.85Å; T772-K786 PolarHBondContact O-N 3.35Å
773	L	98.2	Very high	95	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	130.8	-179.5	-62.4	-166.8	0	0	0	110.3	Y765 I766 F775 L782 S784 I785 V856 I858 V869	Y765-L773 WeakPolarHBondContact CA-O 3.4Å; I766-L773 HydrophobicContact CG1-CB 4.14Å; I766-L773 PolarHBondContact N-O 2.83Å; I766-L773 VanDerWaalsContact N-O 3.12Å; I766-L773 PolarHBondContact O-N 2.69Å; L773-F775 HydrophobicContact CB-CD2 4.32Å; L773-F775 HydrophobicContact CB-CE2 3.5Å; L773-F775 HydrophobicContact CB-CZ 4.14Å; L773-F775 HydrophobicContact CD1-CE2 4.26Å; L773-F775 HydrophobicContact CD1-CZ 4.12Å; L773-L782 HydrophobicContact CB-CD1 4.05Å; L773-L782 HydrophobicContact CD1-CD1 4.13Å; L773-L782 HydrophobicContact CD2-CD1 4.34Å; L773-L782 HydrophobicContact CG-CD1 4.42Å; L773-S784 WeakPolarHBondContact CA-O 3.46Å; L773-I785 HydrophobicContact CD2-CB 4.01Å; L773-I785 HydrophobicContact CD2-CG1 3.77Å; L773-I785 HydrophobicContact CD2-CG2 3.8Å; L773-V856 HydrophobicContact CD1-CG1 3.88Å; L773-I858 HydrophobicContact CD1-CD1 4.45Å; L773-I858 HydrophobicContact CD1-CG2 3.38Å; L773-I858 HydrophobicContact CG-CD1 4.22Å; L773-I858 HydrophobicContact CG-CG2 3.94Å; L773-V869 HydrophobicContact CD1-CG1 3.73Å; L773-V869 HydrophobicContact CD1-CG2 3.97Å; L773-V869 HydrophobicContact CD2-CG2 4Å
774	G	98.1	Very high	95.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	138.1	174.1	0	0	0	0	0	111.9	Y765 E783 S784	Y765-G774 VanDerWaalsContact CD1-CA 3.45Å; G774-E783 PolarHBondContact O-N 3.28Å; G774-S784 WeakPolarHBondContact CA-OG 3.2Å; G774-S784 PolarHBondContact N-O 2.98Å; G774-S784 PolarHBondContact N-OG 3.07Å; G774-S784 PolarHBondContact O-N 3.34Å
775	F	98.4	Very high	95.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	142.7	-178.8	-68.2	-94.6	0	0	0	111.7	T763 F764 I766 L773 G777 G780 L781 L782 V845 V856	T763-F775 CarbonylContact C-O 3.48Å; T763-F775 VanDerWaalsContact CA-O 3.25Å; T763-F775 WeakPolarHBondContact CA-O 3.48Å; T763-F775 WeakPolarHBondContact CG2-O 3.2Å; F764-F775 HydrophobicContact CD1-CB 4.13Å; F764-F775 WeakPolarHBondContact CD1-O 3.41Å; F764-F775 HydrophobicContact CD2-CB 4.29Å; F764-F775 HydrophobicContact CE1-CB 3.62Å; F764-F775 HydrophobicContact CE2-CB 3.79Å; F764-F775 HydrophobicContact CE2-CD2 4.28Å; F764-F775 HydrophobicContact CE2-CG 4.18Å; F764-F775 HydrophobicContact CG-CB 4.45Å; F764-F775 HydrophobicContact CZ-CB 3.43Å; F764-F775 VanDerWaalsContact CZ-CB 3.43Å; F764-F775 HydrophobicContact CZ-CG 4.09Å; F764-F775 PolarHBondContact N-O 3.42Å; F764-F775 PolarHBondContact O-N 3.4Å; I766-F775 HydrophobicContact CD1-CE2 3.93Å; I766-F775 HydrophobicContact CD1-CZ 4.3Å; I766-F775 HydrophobicContact CG1-CD2 4.42Å; I766-F775 HydrophobicContact CG1-CE2 3.68Å; L773-F775 HydrophobicContact CB-CD2 4.32Å; L773-F775 HydrophobicContact CB-CE2 3.5Å; L773-F775 HydrophobicContact CB-CZ 4.14Å; L773-F775 HydrophobicContact CD1-CE2 4.26Å; L773-F775 HydrophobicContact CD1-CZ 4.12Å; F775-G777 PolarHBondContact O-N 2.82Å; F775-G780 WeakPolarHBondContact CD1-O 3.44Å; F775-L781 WeakPolarHBondContact CA-O 3.38Å; F775-L782 HydrophobicContact CD1-CB 4.49Å; F775-L782 HydrophobicContact CE1-CB 4.2Å; F775-L782 HydrophobicContact CE1-CD1 4.04Å; F775-L782 HydrophobicContact CE2-CD1 4.26Å; F775-L782 HydrophobicContact CZ-CD1 3.88Å; F775-V845 HydrophobicContact CD1-CB 4.06Å; F775-V845 HydrophobicContact CD1-CG1 3.94Å; F775-V845 HydrophobicContact CD1-CG2 4.09Å; F775-V845 HydrophobicContact CD2-CG2 3.86Å; F775-V845 HydrophobicContact CE1-CB 3.78Å; F775-V845 HydrophobicContact CE1-CG1 4.11Å; F775-V845 HydrophobicContact CE1-CG2 3.95Å; F775-V845 HydrophobicContact CE2-CB 4.44Å; F775-V845 HydrophobicContact CE2-CG2 3.73Å; F775-V845 HydrophobicContact CG-CG1 4.41Å; F775-V845 HydrophobicContact CG-CG2 4.04Å; F775-V845 HydrophobicContact CZ-CB 3.98Å; F775-V845 HydrophobicContact CZ-CG2 3.76Å; F775-V856 HydrophobicContact CE1-CB 3.91Å; F775-V856 HydrophobicContact CE1-CG1 4.12Å; F775-V856 HydrophobicContact CE1-CG2 4.17Å; F775-V856 HydrophobicContact CZ-CB 3.92Å; F775-V856 HydrophobicContact CZ-CG1 3.72Å
776	S	96.4	Very high	95.2	Very high	13 Å²	13	22.7 Å²	22.7	9%	0.091	13%	0.125	C	C	.	.			trans	-60.3	123.4	174.3	-178.8	0	0	0	0	111.3	F764 T778 T779 G780 L781 E783	F764-S776 WeakPolarHBondContact CE1-O 3.34Å; S776-T778 PolarHBondContact O-N 3.35Å; S776-T779 WeakPolarHBondContact CB-OG1 3.41Å; S776-T779 PolarHBondContact O-N 3.46Å; S776-T779 PolarHBondContact OG-N 3.28Å; S776-T779 PolarHBondContact OG-OG1 3.38Å; S776-G780 WeakPolarHBondContact O-CA 3.44Å; S776-G780 PolarHBondContact O-N 3.46Å; S776-L781 PolarHBondContact N-O 2.77Å; S776-E783 VanDerWaalsContact CA-CD 3.46Å; S776-E783 WeakPolarHBondContact CA-OE1 3.42Å; S776-E783 WeakPolarHBondContact CB-OE1 3.42Å; S776-E783 PolarHBondContact OG-OE1 3.2Å
777	G	92.9	Very high	95	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-24.9	-177.9	0	0	0	0	0	115.5	D760 Q762 F775	D760-G777 CarbonylContact O-C 3.51Å; D760-G777 WeakPolarHBondContact O-CA 3.23Å; Q762-G777 WeakPolarHBondContact O-CA 3.23Å; Q762-G777 PolarHBondContact O-N 3.22Å; F775-G777 PolarHBondContact O-N 2.82Å
778	T	90.3	Very high	94.7	Very high	60 Å²	60	25.9 Å²	25.9	37%	0.368	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-31.7	-178.2	51.4	0	0	0	0	113.6	D760 S776	D760-T778 PolarHBondContact O-N 3.04Å; S776-T778 PolarHBondContact O-N 3.35Å
779	T	93.9	Very high	94.5	Very high	44 Å²	44	30 Å²	30	27%	0.27	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-26	-174.3	70.7	0	0	0	0	112.9	S776 L781 P832 Y849	S776-T779 WeakPolarHBondContact CB-OG1 3.41Å; S776-T779 PolarHBondContact O-N 3.46Å; S776-T779 PolarHBondContact OG-N 3.28Å; S776-T779 PolarHBondContact OG-OG1 3.38Å; T779-L781 PolarHBondContact O-N 2.81Å; T779-L781 PolarHBondContact OG1-N 2.88Å; T779-P832 WeakPolarHBondContact O-CG 3.4Å; T779-Y849 WeakPolarHBondContact CB-OH 3.44Å; T779-Y849 PolarHBondContact O-OH 2.82Å
780	G	95.9	Very high	94.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.138	C	C	.	.			trans	70.5	10.6	-173.4	0	0	0	0	0	114	F775 S776 Q854	F775-G780 WeakPolarHBondContact CD1-O 3.44Å; S776-G780 WeakPolarHBondContact O-CA 3.44Å; S776-G780 PolarHBondContact O-N 3.46Å; G780-Q854 PolarHBondContact O-NE2 3.15Å
781	L	97.5	Very high	94.4	Very high	21 Å²	21	29.2 Å²	29.2	11%	0.11	16%	0.158	C	C	.	.			trans	-80.8	149.8	174.7	-55.9	-179.6	0	0	0	110.7	F775 S776 T779 F800 Y849	F775-L781 WeakPolarHBondContact CA-O 3.38Å; S776-L781 PolarHBondContact N-O 2.77Å; T779-L781 PolarHBondContact O-N 2.81Å; T779-L781 PolarHBondContact OG1-N 2.88Å; L781-F800 HydrophobicContact CD1-CD2 4.39Å; L781-F800 HydrophobicContact CD2-CD2 4.18Å; L781-F800 HydrophobicContact CD2-CE2 3.91Å; L781-Y849 WeakPolarHBondContact CD1-OH 3.24Å; L781-Y849 HydrophobicContact CD2-CE2 3.85Å; L781-Y849 WeakPolarHBondContact CD2-OH 3.32Å; L781-Y849 VanDerWaalsContact CG-OH 3.26Å; L781-Y849 WeakPolarHBondContact CG-OH 3.36Å
782	L	98.4	Very high	94.3	Very high	1 Å²	1	34 Å²	34	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	136.8	177.5	-176.2	69.8	0	0	0	110.5	L773 F775 I785 V796 Q797 M798 L989	L773-L782 HydrophobicContact CB-CD1 4.05Å; L773-L782 HydrophobicContact CD1-CD1 4.13Å; L773-L782 HydrophobicContact CD2-CD1 4.34Å; L773-L782 HydrophobicContact CG-CD1 4.42Å; F775-L782 HydrophobicContact CD1-CB 4.49Å; F775-L782 HydrophobicContact CE1-CB 4.2Å; F775-L782 HydrophobicContact CE1-CD1 4.04Å; F775-L782 HydrophobicContact CE2-CD1 4.26Å; F775-L782 HydrophobicContact CZ-CD1 3.88Å; L782-I785 HydrophobicContact CD2-CD1 4.33Å; L782-I785 HydrophobicContact CD2-CG1 4.27Å; L782-V796 CarbonylContact C-O 3.51Å; L782-V796 HydrophobicContact CD2-CB 4.45Å; L782-V796 HydrophobicContact CD2-CG1 4.16Å; L782-Q797 CarbonylContact O-C 3.57Å; L782-Q797 WeakPolarHBondContact O-CA 3.38Å; L782-M798 HydrophobicContact CB-CB 4.17Å; L782-M798 PolarHBondContact O-N 3.09Å; L782-L989 HydrophobicContact CD2-CD1 3.97Å
783	E	98	Very high	94.2	Very high	47 Å²	47	36.8 Å²	36.8	22%	0.22	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	-32.8	178.7	-68	-174.1	153.8	0	0	113.2	T763 G774 S776 V796 Q797	T763-E783 WeakPolarHBondContact CG2-OE2 3.37Å; T763-E783 PolarHBondContact OG1-OE2 2.96Å; G774-E783 PolarHBondContact O-N 3.28Å; S776-E783 VanDerWaalsContact CA-CD 3.46Å; S776-E783 WeakPolarHBondContact CA-OE1 3.42Å; S776-E783 WeakPolarHBondContact CB-OE1 3.42Å; S776-E783 PolarHBondContact OG-OE1 3.2Å; E783-V796 CarbonylContact C-O 3.56Å; E783-V796 CarbonylContact O-C 3.58Å; E783-V796 VanDerWaalsContact O-C 3.28Å; E783-V796 PolarHBondContact O-N 3.2Å; E783-Q797 HydrophobicContact CB-CG 4.46Å
784	S	98.1	Very high	94.1	Very high	11 Å²	11	36.8 Å²	36.8	8%	0.077	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	154.6	-176.1	63.1	0	0	0	0	113.6	L773 G774 E793 V794	L773-S784 WeakPolarHBondContact CA-O 3.46Å; G774-S784 WeakPolarHBondContact CA-OG 3.2Å; G774-S784 PolarHBondContact N-O 2.98Å; G774-S784 PolarHBondContact N-OG 3.07Å; G774-S784 PolarHBondContact O-N 3.34Å; S784-E793 WeakPolarHBondContact CB-OE1 3.29Å; S784-E793 PolarHBondContact OG-OE1 2.9Å; S784-V794 WeakPolarHBondContact CA-O 3.27Å
785	I	97.9	Very high	94.1	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	123	171.5	-53.3	-176	0	0	0	107.6	L771 L773 L782 V794 V796 V869 L991	L771-I785 HydrophobicContact CD2-CG2 4.37Å; L773-I785 HydrophobicContact CD2-CB 4.01Å; L773-I785 HydrophobicContact CD2-CG1 3.77Å; L773-I785 HydrophobicContact CD2-CG2 3.8Å; L782-I785 HydrophobicContact CD2-CD1 4.33Å; L782-I785 HydrophobicContact CD2-CG1 4.27Å; I785-V794 PolarHBondContact N-O 3.45Å; I785-V794 PolarHBondContact O-N 2.96Å; I785-V796 HydrophobicContact CB-CG2 4.29Å; I785-V796 HydrophobicContact CD1-CB 4.25Å; I785-V796 HydrophobicContact CD1-CG1 4.34Å; I785-V796 HydrophobicContact CD1-CG2 3.9Å; I785-V796 HydrophobicContact CG1-CB 4.06Å; I785-V796 HydrophobicContact CG1-CG2 3.79Å; I785-V869 HydrophobicContact CD1-CG2 4.34Å; I785-L991 HydrophobicContact CB-CD2 4.05Å; I785-L991 HydrophobicContact CG2-CB 4.38Å; I785-L991 HydrophobicContact CG2-CD2 3.83Å
786	K	95.9	Very high	94.1	Very high	76 Å²	76	40.7 Å²	40.7	33%	0.33	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	117.9	170.4	-177.2	173.2	-175.3	168.4	0	109.8	L771 T772 E793	L771-K786 CarbonylContact C-O 3.54Å; L771-K786 WeakPolarHBondContact CA-O 3.45Å; T772-K786 PolarHBondContact N-O 2.85Å; T772-K786 PolarHBondContact O-N 3.35Å; K786-E793 HydrophobicContact CB-CB 4.17Å; K786-E793 HydrophobicContact CB-CG 4.08Å; K786-E793 HydrophobicContact CD-CB 4.31Å; K786-E793 HydrophobicContact CG-CB 4.36Å
787	R	92.7	Very high	94.1	Very high	25 Å²	25	43 Å²	43	9%	0.094	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	136.3	165.7	-80.5	-179.1	62.5	167.6	0.4	109.5	L771 D789 D790 L991	L771-R787 HydrophobicContact CD2-CG 3.85Å; R787-D789 VanDerWaalsContact C-N 3.27Å; R787-D789 WeakPolarHBondContact CB-OD1 3.12Å; R787-D789 IonicContact CZ-OD1 3.99Å; R787-D789 IonicContact CZ-OD2 2.65Å; R787-D789 IonicContact NE-OD1 2.65Å; R787-D789 PolarHBondContact NE-OD1 3.22Å; R787-D789 IonicContact NE-OD2 2.8Å; R787-D789 IonicContact NH2-OD1 3.72Å; R787-D789 PolarHBondContact NH2-OD1 3.1Å; R787-D789 IonicContact NH2-OD2 3.11Å; R787-D789 PolarHBondContact NH2-OD2 2.75Å; R787-D789 PolarHBondContact O-N 3.47Å; R787-D790 HydrophobicContact CB-CB 3.79Å; R787-D790 PolarHBondContact O-N 3.33Å; R787-L991 WeakPolarHBondContact CD-O 3.49Å
788	K	89.4	Confident	94.4	Very high	83 Å²	83	43.2 Å²	43.2	36%	0.361	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-21	-177.9	-74.4	-159.4	174.5	172	0	113.8	S767 T768 Q769 T770	S767-K788 WeakPolarHBondContact OG-CE 3.36Å; S767-K788 PolarHBondContact OG-NZ 3.49Å; T768-K788 WeakPolarHBondContact O-CE 3.5Å; T768-K788 PolarHBondContact O-NZ 3.42Å; Q769-K788 WeakPolarHBondContact O-CD 3.35Å; T770-K788 PolarHBondContact O-N 3.2Å
789	D	86.8	Confident	94.8	Very high	88 Å²	88	43.6 Å²	43.6	47%	0.471	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-7.9	172.4	63.1	-33	0	0	0	113.4	R787	R787-D789 VanDerWaalsContact C-N 3.27Å; R787-D789 WeakPolarHBondContact CB-OD1 3.12Å; R787-D789 IonicContact CZ-OD1 3.99Å; R787-D789 IonicContact CZ-OD2 2.65Å; R787-D789 IonicContact NE-OD1 2.65Å; R787-D789 PolarHBondContact NE-OD1 3.22Å; R787-D789 IonicContact NE-OD2 2.8Å; R787-D789 IonicContact NH2-OD1 3.72Å; R787-D789 PolarHBondContact NH2-OD1 3.1Å; R787-D789 IonicContact NH2-OD2 3.11Å; R787-D789 PolarHBondContact NH2-OD2 2.75Å; R787-D789 PolarHBondContact O-N 3.47Å
790	D	88.7	Confident	95	Very high	6 Å²	6	42 Å²	42	3%	0.032	21%	0.205	C	C	.	.			trans	-106.6	126.4	175.6	-164.8	-25.1	0	0	0	110.3	R787 Q792 H937	R787-D790 HydrophobicContact CB-CB 3.79Å; R787-D790 PolarHBondContact O-N 3.33Å; D790-Q792 PolarHBondContact O-N 2.86Å; D790-Q792 WeakPolarHBondContact OD1-CB 3.31Å; D790-Q792 PolarHBondContact OD1-N 3.36Å; D790-H937 IonicContact OD2-CD2 3.05Å; D790-H937 IonicContact OD2-CE1 3.9Å; D790-H937 IonicContact OD2-NE2 3.84Å; D790-H937 PolarHBondContact OD2-NE2 3.43Å
791	P	85.6	Confident	95.1	Very high	104 Å²	104	42.4 Å²	42.4	68%	0.675	21%	0.207	S	C	*	.	S	Bend	trans	-63.7	-25.9	173.2	26.3	-35.3	0	0	0	113
792	Q	89.8	Confident	95.1	Very high	107 Å²	107	42.6 Å²	42.6	50%	0.5	21%	0.208	S	C	.	.	S	Bend	trans	-87.2	132.1	-176.8	-62	-168.6	0	0	0	112.1	D790	D790-Q792 PolarHBondContact O-N 2.86Å; D790-Q792 WeakPolarHBondContact OD1-CB 3.31Å; D790-Q792 PolarHBondContact OD1-N 3.36Å
793	E	94.6	Very high	95.2	Very high	84 Å²	84	42.6 Å²	42.6	39%	0.393	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	126.5	166.7	178.7	168.2	-163.9	0	0	109.1	S784 K786	S784-E793 WeakPolarHBondContact CB-OE1 3.29Å; S784-E793 PolarHBondContact OG-OE1 2.9Å; K786-E793 HydrophobicContact CB-CB 4.17Å; K786-E793 HydrophobicContact CB-CG 4.08Å; K786-E793 HydrophobicContact CD-CB 4.31Å; K786-E793 HydrophobicContact CG-CB 4.36Å
794	V	96.8	Very high	95.1	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	128.8	-179.7	179.7	0	0	0	0	108.7	S784 I785 V796 L991	S784-V794 WeakPolarHBondContact CA-O 3.27Å; I785-V794 PolarHBondContact N-O 3.45Å; I785-V794 PolarHBondContact O-N 2.96Å; V794-V796 HydrophobicContact CG1-CG2 4.15Å; V794-V796 PolarHBondContact O-N 3.06Å; V794-L991 HydrophobicContact CB-CD1 4.35Å; V794-L991 HydrophobicContact CB-CD2 3.78Å; V794-L991 HydrophobicContact CG1-CD1 4.17Å; V794-L991 HydrophobicContact CG1-CD2 4.43Å; V794-L991 HydrophobicContact CG2-CD1 4.19Å; V794-L991 HydrophobicContact CG2-CD2 3.75Å
795	K	98	Very high	95.1	Very high	82 Å²	82	40.9 Å²	40.9	36%	0.357	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	128.1	174.9	-176.9	-175.7	178.8	-174.6	0	108.4	Q797 T891 N892	K795-Q797 VanDerWaalsContact CE-NE2 3.27Å; K795-Q797 HydrophobicContact CG-CG 4.14Å; K795-Q797 VanDerWaalsContact NZ-OE1 3.08Å; K795-T891 WeakPolarHBondContact O-CA 3.38Å; K795-T891 VanDerWaalsContact O-CB 3.23Å; K795-T891 WeakPolarHBondContact O-CB 3.34Å; K795-N892 HydrophobicContact CB-CB 4.36Å; K795-N892 WeakPolarHBondContact CB-OD1 3.36Å; K795-N892 PolarHBondContact N-OD1 2.87Å
796	V	97.9	Very high	94.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	75.5	175.3	-171.7	0	0	0	0	108.1	L782 E783 I785 V794 M798 L889 T891 L939	L782-V796 CarbonylContact C-O 3.51Å; L782-V796 HydrophobicContact CD2-CB 4.45Å; L782-V796 HydrophobicContact CD2-CG1 4.16Å; E783-V796 CarbonylContact C-O 3.56Å; E783-V796 CarbonylContact O-C 3.58Å; E783-V796 VanDerWaalsContact O-C 3.28Å; E783-V796 PolarHBondContact O-N 3.2Å; I785-V796 HydrophobicContact CB-CG2 4.29Å; I785-V796 HydrophobicContact CD1-CB 4.25Å; I785-V796 HydrophobicContact CD1-CG1 4.34Å; I785-V796 HydrophobicContact CD1-CG2 3.9Å; I785-V796 HydrophobicContact CG1-CB 4.06Å; I785-V796 HydrophobicContact CG1-CG2 3.79Å; V794-V796 HydrophobicContact CG1-CG2 4.15Å; V794-V796 PolarHBondContact O-N 3.06Å; V796-M798 PolarHBondContact O-N 3.32Å; V796-L889 HydrophobicContact CG1-CD2 4.43Å; V796-T891 HydrophobicContact CG1-CG2 4.45Å; V796-T891 HydrophobicContact CG2-CG2 4.33Å; V796-L939 HydrophobicContact CG1-CD2 3.98Å; V796-L939 HydrophobicContact CG2-CD2 4.3Å
797	Q	98.2	Very high	94.6	Very high	60 Å²	60	44.7 Å²	44.7	28%	0.28	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	113.4	-179.9	-76.2	-178.1	-19.2	0	0	110.5	L782 E783 K795 V890	L782-Q797 CarbonylContact O-C 3.57Å; L782-Q797 WeakPolarHBondContact O-CA 3.38Å; E783-Q797 HydrophobicContact CB-CG 4.46Å; K795-Q797 VanDerWaalsContact CE-NE2 3.27Å; K795-Q797 HydrophobicContact CG-CG 4.14Å; K795-Q797 VanDerWaalsContact NZ-OE1 3.08Å; Q797-V890 HydrophobicContact CB-CB 4.27Å; Q797-V890 PolarHBondContact N-O 2.95Å; Q797-V890 PolarHBondContact O-N 3.11Å
798	M	98.4	Very high	94.3	Very high	6 Å²	6	46 Å²	46	3%	0.03	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	128.6	172.3	-168.7	175.4	-66.2	0	0	110.1	L782 V796 F800 Q854 V871 I873 M887 R888 L889	L782-M798 HydrophobicContact CB-CB 4.17Å; L782-M798 PolarHBondContact O-N 3.09Å; V796-M798 PolarHBondContact O-N 3.32Å; M798-F800 HydrophobicContact CG-CE2 4.22Å; M798-F800 HydrophobicContact SD-CE2 4.14Å; M798-F800 HydrophobicContact SD-CZ 4.31Å; M798-Q854 HydrophobicContact SD-CG 4.32Å; M798-Q854 PolarHBondContact SD-OE1 3.49Å; M798-V871 HydrophobicContact CE-CG1 4.08Å; M798-I873 HydrophobicContact SD-CD1 4.4Å; M798-M887 HydrophobicContact CE-SD 3.87Å; M798-M887 HydrophobicContact CG-CG 3.95Å; M798-M887 HydrophobicContact CG-SD 4.36Å; M798-M887 HydrophobicContact SD-CG 4.16Å; M798-M887 HydrophobicContact SD-SD 3.88Å; M798-R888 CarbonylContact C-O 3.56Å; M798-R888 WeakPolarHBondContact CA-O 3.32Å; M798-L889 HydrophobicContact CB-CD2 4.25Å; M798-L889 HydrophobicContact CE-CD2 3.88Å; M798-L889 HydrophobicContact CG-CD2 4.15Å
799	Q	98.1	Very high	94.2	Very high	68 Å²	68	51 Å²	51	32%	0.318	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	149.2	179.7	-61.3	179.5	-10	0	0	109.2	M801 R888	Q799-M801 HydrophobicContact CB-SD 4.23Å; Q799-R888 HydrophobicContact CB-CB 4.37Å; Q799-R888 PolarHBondContact N-O 2.93Å; Q799-R888 PolarHBondContact O-N 3.43Å
800	F	98.4	Very high	94.5	Very high	10 Å²	10	48.5 Å²	48.5	4%	0.044	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	132.9	172.2	-75.4	-90.1	0	0	0	109.4	L781 M798 Y826 F852 I873 L885 S886 M887	L781-F800 HydrophobicContact CD1-CD2 4.39Å; L781-F800 HydrophobicContact CD2-CD2 4.18Å; L781-F800 HydrophobicContact CD2-CE2 3.91Å; M798-F800 HydrophobicContact CG-CE2 4.22Å; M798-F800 HydrophobicContact SD-CE2 4.14Å; M798-F800 HydrophobicContact SD-CZ 4.31Å; F800-Y826 HydrophobicContact CB-CG 4.36Å; F800-Y826 VanDerWaalsContact O-CB 3.23Å; F800-Y826 WeakPolarHBondContact O-CB 3.5Å; F800-Y826 PolarHBondContact O-N 2.89Å; F800-F852 HydrophobicContact CB-CE1 4.04Å; F800-F852 HydrophobicContact CB-CZ 4.1Å; F800-F852 HydrophobicContact CD1-CD1 4.23Å; F800-F852 HydrophobicContact CD1-CD2 4.41Å; F800-F852 HydrophobicContact CD1-CE1 4.03Å; F800-F852 HydrophobicContact CD1-CE2 4.23Å; F800-F852 HydrophobicContact CD1-CG 4.41Å; F800-F852 HydrophobicContact CD1-CZ 4.03Å; F800-F852 HydrophobicContact CD2-CD2 4.44Å; F800-F852 HydrophobicContact CD2-CE1 4.04Å; F800-F852 AromaticContact CD2-CE2 3.55Å; F800-F852 HydrophobicContact CD2-CE2 3.55Å; F800-F852 AromaticContact CD2-CZ 3.3Å; F800-F852 HydrophobicContact CD2-CZ 3.3Å; F800-F852 HydrophobicContact CE1-CD2 4Å; F800-F852 HydrophobicContact CE1-CE2 4.04Å; F800-F852 HydrophobicContact CE1-CG 4.25Å; F800-F852 HydrophobicContact CE1-CZ 4.32Å; F800-F852 HydrophobicContact CE2-CD2 4.04Å; F800-F852 AromaticContact CE2-CE2 3.33Å; F800-F852 HydrophobicContact CE2-CE2 3.33Å; F800-F852 AromaticContact CE2-CZ 3.66Å; F800-F852 HydrophobicContact CE2-CZ 3.66Å; F800-F852 HydrophobicContact CG-CD1 4.4Å; F800-F852 AromaticContact CG-CE1 3.74Å; F800-F852 HydrophobicContact CG-CE1 3.74Å; F800-F852 AromaticContact CG-CE2 3.99Å; F800-F852 HydrophobicContact CG-CE2 3.99Å; F800-F852 AromaticContact CG-CZ 3.51Å; F800-F852 HydrophobicContact CG-CZ 3.51Å; F800-F852 AromaticContact CZ-CD2 3.8Å; F800-F852 HydrophobicContact CZ-CD2 3.8Å; F800-F852 AromaticContact CZ-CE2 3.6Å; F800-F852 HydrophobicContact CZ-CE2 3.6Å; F800-F852 HydrophobicContact CZ-CZ 4.15Å; F800-I873 HydrophobicContact CE1-CG2 3.84Å; F800-I873 HydrophobicContact CZ-CD1 3.94Å; F800-I873 HydrophobicContact CZ-CG1 4.34Å; F800-I873 HydrophobicContact CZ-CG2 4.02Å; F800-L885 HydrophobicContact CB-CD1 4.43Å; F800-L885 HydrophobicContact CD1-CD1 4.23Å; F800-S886 CarbonylContact C-O 3.51Å; F800-S886 VanDerWaalsContact CA-O 3.31Å; F800-S886 WeakPolarHBondContact CA-O 3.39Å; F800-M887 HydrophobicContact CE1-CB 4.08Å; F800-M887 HydrophobicContact CE1-CG 4.41Å; F800-M887 HydrophobicContact CZ-CG 4.35Å
801	M	98.3	Very high	94.9	Very high	9 Å²	9	51.1 Å²	51.1	4%	0.044	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	159.5	-176.1	-40.4	-68.2	-67.9	0	0	111.3	Q799 P823 K824 P825 S886 R888	Q799-M801 HydrophobicContact CB-SD 4.23Å; M801-P823 HydrophobicContact CB-CB 3.86Å; M801-P823 HydrophobicContact CE-CB 4.38Å; M801-P823 HydrophobicContact CE-CG 4.36Å; M801-K824 CarbonylContact C-O 3.59Å; M801-K824 WeakPolarHBondContact CA-O 3.44Å; M801-P825 HydrophobicContact CE-CG 4.08Å; M801-S886 WeakPolarHBondContact CB-OG 3.43Å; M801-S886 PolarHBondContact N-O 3.18Å; M801-S886 PolarHBondContact O-N 3.27Å; M801-S886 PolarHBondContact O-OG 2.62Å; M801-R888 HydrophobicContact CG-CB 4.16Å
802	I	98.3	Very high	95.5	Very high	25 Å²	25	46.1 Å²	46.1	13%	0.128	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	127.9	-178.2	-67.5	-69.8	0	0	0	109.6	K824 Y826 K883 E884 L885	I802-K824 PolarHBondContact N-O 3.38Å; I802-K824 PolarHBondContact O-N 2.61Å; I802-Y826 HydrophobicContact CD1-CD2 4.07Å; I802-Y826 HydrophobicContact CG1-CD2 3.97Å; I802-K883 HydrophobicContact CG2-CB 4.42Å; I802-K883 HydrophobicContact CG2-CD 3.62Å; I802-K883 HydrophobicContact CG2-CG 4.37Å; I802-E884 WeakPolarHBondContact CA-O 3.34Å; I802-L885 HydrophobicContact CD1-CB 4.05Å; I802-L885 HydrophobicContact CD1-CD1 3.59Å; I802-L885 HydrophobicContact CD1-CG 4.44Å; I802-L885 HydrophobicContact CG1-CD1 4.41Å
803	Y	98.5	Very high	95.9	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	144.8	163.8	-66	-87.2	0	0	0	110.7	F817 P819 P823 K883 E884 L919 L952 E958 I960	Y803-F817 HydrophobicContact CD1-CE2 4.34Å; Y803-F817 AromaticContact CD1-CZ 3.84Å; Y803-F817 HydrophobicContact CD1-CZ 3.84Å; Y803-F817 HydrophobicContact CD2-CE2 4.45Å; Y803-F817 AromaticContact CD2-CZ 3.9Å; Y803-F817 HydrophobicContact CD2-CZ 3.9Å; Y803-F817 AromaticContact CE1-CZ 4Å; Y803-F817 HydrophobicContact CE1-CZ 4Å; Y803-F817 HydrophobicContact CE2-CZ 4.07Å; Y803-F817 HydrophobicContact CG-CE2 4.07Å; Y803-F817 AromaticContact CG-CZ 3.76Å; Y803-F817 HydrophobicContact CG-CZ 3.76Å; Y803-P819 HydrophobicContact CD1-CB 3.63Å; Y803-P819 HydrophobicContact CD1-CG 4.4Å; Y803-P819 HydrophobicContact CE1-CB 4.3Å; Y803-P819 HydrophobicContact CG-CB 4.36Å; Y803-P823 HydrophobicContact CD1-CB 3.89Å; Y803-P823 HydrophobicContact CD2-CB 4.08Å; Y803-P823 HydrophobicContact CE1-CB 3.54Å; Y803-P823 VanDerWaalsContact CE1-CD 3.45Å; Y803-P823 HydrophobicContact CE1-CG 3.79Å; Y803-P823 HydrophobicContact CE2-CB 3.72Å; Y803-P823 HydrophobicContact CE2-CG 4.21Å; Y803-P823 HydrophobicContact CG-CB 4.17Å; Y803-P823 VanDerWaalsContact CZ-CB 3.44Å; Y803-P823 WeakPolarHBondContact OH-CG 3.3Å; Y803-K883 WeakPolarHBondContact O-CA 3.44Å; Y803-E884 PolarHBondContact N-O 3.05Å; Y803-E884 PolarHBondContact O-N 2.96Å; Y803-L919 HydrophobicContact CE1-CD1 3.91Å; Y803-L919 HydrophobicContact CE1-CD2 3.96Å; Y803-L952 WeakPolarHBondContact OH-CD1 3.41Å; Y803-E958 WeakPolarHBondContact CE2-OE1 3.46Å; Y803-E958 PolarHBondContact OH-OE1 3.29Å; Y803-I960 HydrophobicContact CD2-CD1 3.94Å; Y803-I960 HydrophobicContact CE2-CD1 3.84Å
804	G	97.8	Very high	96.1	Very high	4 Å²	4	37 Å²	37	4%	0.041	19%	0.187	C	C	.	.			trans	-96.6	-177.3	160.5	0	0	0	0	0	111.1	P819 D820 N882	G804-P819 VanDerWaalsContact O-CA 3.26Å; G804-P819 WeakPolarHBondContact O-CA 3.42Å; G804-D820 WeakPolarHBondContact CA-OD1 3.38Å; G804-D820 PolarHBondContact N-OD1 3.32Å; G804-D820 PolarHBondContact O-N 2.99Å; G804-N882 WeakPolarHBondContact CA-O 3.32Å
805	T	96.8	Very high	96.2	Very high	18 Å²	18	37.2 Å²	37.2	11%	0.11	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-103.8	144.4	167.4	-176.4	0	0	0	0	109.8	K811 S812 N882	T805-K811 HydrophobicContact CG2-CD 4.45Å; T805-K811 WeakPolarHBondContact OG1-CB 3.28Å; T805-S812 PolarHBondContact OG1-N 2.86Å; T805-N882 HydrophobicContact CG2-CB 3.78Å
806	R	94.6	Very high	96.2	Very high	39 Å²	39	33.4 Å²	33.4	15%	0.147	17%	0.171	C	C	.	.			trans	-56.5	150.3	176.4	65.4	179.4	-171.3	-171.1	1.2	112.7	D501 H502 S808 D810 L818	D501-R806 VanDerWaalsContact CG-NH1 3.26Å; D501-R806 IonicContact OD1-CZ 2.74Å; D501-R806 IonicContact OD1-NH1 2.74Å; D501-R806 PolarHBondContact OD1-NH1 3.22Å; D501-R806 IonicContact OD1-NH2 3.86Å; D501-R806 PolarHBondContact OD1-NH2 2.91Å; D501-R806 IonicContact OD2-CZ 3.37Å; D501-R806 IonicContact OD2-NH1 3.86Å; D501-R806 PolarHBondContact OD2-NH1 3.44Å; H502-R806 PolarHBondContact NE2-NH2 3.47Å; R806-S808 VanDerWaalsContact C-N 3.33Å; R806-S808 WeakPolarHBondContact CD-OG 3.23Å; R806-S808 VanDerWaalsContact CG-OG 3.25Å; R806-S808 WeakPolarHBondContact CG-OG 3.45Å; R806-S808 PolarHBondContact NE-OG 2.9Å; R806-S808 PolarHBondContact O-N 3.35Å; R806-D810 WeakPolarHBondContact CG-O 3.4Å; R806-D810 PolarHBondContact NE-O 3.04Å; R806-L818 HydrophobicContact CG-CB 4.17Å; R806-L818 PolarHBondContact N-O 3.29Å
807	P	90.1	Very high	96.2	Very high	120 Å²	120	33.5 Å²	33.5	78%	0.779	17%	0.171	S	C	*	.	S	Bend	trans	-79	-12.3	-176.5	31.2	-35.7	0	0	0	114.2
808	S	86.3	Confident	96.2	Very high	52 Å²	52	30.7 Å²	30.7	36%	0.364	16%	0.158	S	C	.	.	S	Bend	trans	-64	175.3	-178.5	55.5	0	0	0	0	113.7	R806 D810 K811	R806-S808 VanDerWaalsContact C-N 3.33Å; R806-S808 WeakPolarHBondContact CD-OG 3.23Å; R806-S808 VanDerWaalsContact CG-OG 3.25Å; R806-S808 WeakPolarHBondContact CG-OG 3.45Å; R806-S808 PolarHBondContact NE-OG 2.9Å; R806-S808 PolarHBondContact O-N 3.35Å; S808-D810 PolarHBondContact O-N 3.11Å; S808-D810 PolarHBondContact OG-O 3.29Å; S808-K811 WeakPolarHBondContact O-CE 3.46Å; S808-K811 VanDerWaalsContact O-CG 3.25Å; S808-K811 WeakPolarHBondContact O-CG 3.32Å
809	K	86.6	Confident	96.2	Very high	187 Å²	187	31.2 Å²	31.2	81%	0.813	16%	0.162	S	C	*	.	S	Bend	trans	-57.2	-49.7	178.7	-175.5	-177.5	176.6	-175.2	0	112.3
810	D	93.8	Very high	96.1	Very high	36 Å²	36	31.1 Å²	31.1	19%	0.193	16%	0.164	C	C	.	.	S	Bend	trans	-80.7	131.7	174.7	-62.3	-68	0	0	0	109.3	R499 H502 R806 S808 L818	R499-D810 IonicContact NH2-OD1 2.72Å; R499-D810 PolarHBondContact NH2-OD1 3.26Å; H502-D810 IonicContact CE1-OD1 2.73Å; H502-D810 PolarHBondContact CE1-OD1 3.42Å; H502-D810 IonicContact CE1-OD2 3.39Å; H502-D810 IonicContact NE2-OD2 3.63Å; R806-D810 WeakPolarHBondContact CG-O 3.4Å; R806-D810 PolarHBondContact NE-O 3.04Å; S808-D810 PolarHBondContact O-N 3.11Å; S808-D810 PolarHBondContact OG-O 3.29Å; D810-L818 HydrophobicContact CB-CD1 4.35Å
811	K	96.2	Very high	95.9	Very high	61 Å²	61	32.3 Å²	32.3	27%	0.265	18%	0.179	S	C	.	.			trans	-141.3	164.2	-170.5	-66.5	-170.2	177.1	-179.9	0	110.8	T805 S808 Q967	T805-K811 HydrophobicContact CG2-CD 4.45Å; T805-K811 WeakPolarHBondContact OG1-CB 3.28Å; S808-K811 WeakPolarHBondContact O-CE 3.46Å; S808-K811 VanDerWaalsContact O-CG 3.25Å; S808-K811 WeakPolarHBondContact O-CG 3.32Å; K811-Q967 HydrophobicContact CB-CG 3.76Å; K811-Q967 HydrophobicContact CD-CG 3.87Å; K811-Q967 HydrophobicContact CG-CG 4.39Å
812	S	98.3	Very high	95.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.213	C	C	.	.			trans	-55.8	140.2	168.1	-69.8	0	0	0	0	109.8	T805 L816 L818 E884 Q967	T805-S812 PolarHBondContact OG1-N 2.86Å; S812-L816 WeakPolarHBondContact CA-O 3.45Å; S812-L818 PolarHBondContact OG-N 3.43Å; S812-E884 WeakPolarHBondContact CB-OE1 3.48Å; S812-E884 PolarHBondContact OG-OE1 2.93Å; S812-Q967 PolarHBondContact O-NE2 3.21Å
813	G	98.2	Very high	95.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.212	C	C	.	.			trans	-149.1	-154.6	173.3	0	0	0	0	0	109.9	Y815 L816 R963 L965 D969	G813-Y815 VanDerWaalsContact C-N 3.3Å; G813-Y815 PolarHBondContact O-N 3.33Å; G813-L816 PolarHBondContact N-O 3.42Å; G813-R963 PolarHBondContact O-NH1 3Å; G813-R963 PolarHBondContact O-NH2 2.9Å; G813-L965 VanDerWaalsContact O-CD1 3.31Å; G813-L965 WeakPolarHBondContact O-CD1 3.22Å; G813-D969 VanDerWaalsContact CA-OD2 3.29Å; G813-D969 WeakPolarHBondContact CA-OD2 3.4Å
814	A	98.4	Very high	95.6	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.239	C	C	.	.	S	Bend	trans	-63.3	-34.4	-176.2	0	0	0	0	0	113.7	Y507 S510 T575 D969 L973 L977	Y507-A814 WeakPolarHBondContact CA-O 3.47Å; Y507-A814 PolarHBondContact N-O 3.26Å; S510-A814 PolarHBondContact OG-O 3.19Å; T575-A814 HydrophobicContact CG2-CB 4.16Å; A814-D969 PolarHBondContact N-OD2 3.35Å; A814-D969 VanDerWaalsContact N-OD2 3.11Å; A814-L973 HydrophobicContact CB-CD2 3.49Å; A814-L973 VanDerWaalsContact CB-CD2 3.49Å; A814-L977 HydrophobicContact CB-CD1 4.46Å; A814-L977 HydrophobicContact CB-CD2 3.84Å; A814-L977 HydrophobicContact CB-CG 4.12Å
815	Y	98.8	Very high	95.6	Very high	5 Å²	5	50.5 Å²	50.5	2%	0.02	27%	0.267	C	S	.	.	S	Bend	trans	-95.6	-50.2	-178	-55	-95.2	0	0	0	111.3	W180 F291 W504 G506 Y507 D570 T575 G813 D969 R971 L973	W180-Y815 PolarHBondContact NE1-OH 2.9Å; F291-Y815 HydrophobicContact CD2-CD1 4.11Å; F291-Y815 HydrophobicContact CD2-CE1 4.38Å; F291-Y815 HydrophobicContact CE1-CE1 4.25Å; F291-Y815 AromaticContact CE2-CD1 3.75Å; F291-Y815 HydrophobicContact CE2-CD1 3.75Å; F291-Y815 AromaticContact CE2-CE1 3.59Å; F291-Y815 HydrophobicContact CE2-CE1 3.59Å; F291-Y815 HydrophobicContact CZ-CD1 4.07Å; F291-Y815 AromaticContact CZ-CE1 3.54Å; F291-Y815 HydrophobicContact CZ-CE1 3.54Å; W504-Y815 CarbonylContact C-O 3.58Å; W504-Y815 WeakPolarHBondContact CA-O 3.25Å; W504-Y815 AromaticContact CE3-CD1 3.52Å; W504-Y815 HydrophobicContact CE3-CD1 3.52Å; W504-Y815 HydrophobicContact CE3-CE1 4.46Å; W504-Y815 AromaticContact CE3-CG 3.98Å; W504-Y815 HydrophobicContact CE3-CG 3.98Å; W504-Y815 HydrophobicContact CH2-CD1 4.35Å; W504-Y815 AromaticContact CZ3-CD1 3.33Å; W504-Y815 HydrophobicContact CZ3-CD1 3.33Å; W504-Y815 AromaticContact CZ3-CE1 3.89Å; W504-Y815 HydrophobicContact CZ3-CE1 3.89Å; W504-Y815 AromaticContact CZ3-CG 3.94Å; W504-Y815 HydrophobicContact CZ3-CG 3.94Å; G506-Y815 WeakPolarHBondContact CA-O 3.27Å; G506-Y815 PolarHBondContact N-O 2.76Å; Y507-Y815 PolarHBondContact N-O 3.28Å; D570-Y815 PolarHBondContact OD1-OH 2.93Å; D570-Y815 VanDerWaalsContact OD1-OH 3.08Å; T575-Y815 HydrophobicContact CG2-CD1 3.48Å; T575-Y815 VanDerWaalsContact CG2-CD1 3.48Å; T575-Y815 HydrophobicContact CG2-CD2 4.31Å; T575-Y815 HydrophobicContact CG2-CE1 3.48Å; T575-Y815 VanDerWaalsContact CG2-CE1 3.48Å; T575-Y815 HydrophobicContact CG2-CE2 4.3Å; T575-Y815 HydrophobicContact CG2-CG 3.93Å; T575-Y815 PolarHBondContact O-OH 3.49Å; G813-Y815 VanDerWaalsContact C-N 3.3Å; G813-Y815 PolarHBondContact O-N 3.33Å; Y815-D969 WeakPolarHBondContact CA-OD2 3.33Å; Y815-D969 WeakPolarHBondContact CB-OD2 3.19Å; Y815-D969 WeakPolarHBondContact CD2-OD1 3.15Å; Y815-D969 PolarHBondContact N-OD2 2.59Å; Y815-R971 HydrophobicContact CD2-CB 3.64Å; Y815-R971 HydrophobicContact CD2-CG 4.22Å; Y815-R971 HydrophobicContact CE2-CB 3.8Å; Y815-R971 HydrophobicContact CG-CB 4.16Å; Y815-R971 HydrophobicContact CG-CG 4.39Å; Y815-L973 HydrophobicContact CE2-CB 3.92Å; Y815-L973 HydrophobicContact CE2-CD2 4.47Å
816	L	98.8	Very high	95.6	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	27%	0.268	C	S	.	.			trans	-86.6	142.2	-169.5	-55.3	-172.5	0	0	0	112.6	H502 W504 S812 G813 L818 R963 D969	H502-L816 HydrophobicContact CB-CD1 4.02Å; H502-L816 HydrophobicContact CB-CD2 4.11Å; W504-L816 VanDerWaalsContact CD1-CD2 3.49Å; W504-L816 HydrophobicContact CD2-CD2 4.26Å; W504-L816 HydrophobicContact CG-CD2 3.87Å; S812-L816 WeakPolarHBondContact CA-O 3.45Å; G813-L816 PolarHBondContact N-O 3.42Å; L816-L818 HydrophobicContact CB-CD1 4.23Å; L816-L818 HydrophobicContact CB-CG 4.22Å; L816-L818 HydrophobicContact CD1-CD1 3.87Å; L816-R963 PolarHBondContact O-NH2 2.72Å; L816-D969 HydrophobicContact CB-CB 4.09Å; L816-D969 HydrophobicContact CD1-CB 3.94Å; L816-D969 HydrophobicContact CG-CB 3.9Å; L816-D969 PolarHBondContact N-OD2 2.91Å
817	F	98.6	Very high	95.5	Very high	3 Å²	3	56.2 Å²	56.2	1%	0.013	30%	0.298	C	S	.	.			trans	-111.7	108.3	164.1	179.6	-146.6	0	0	0	108.8	Y503 Y803 P819 E884 L919 Q920 F923 I960	Y503-F817 PolarHBondContact O-N 2.95Å; Y803-F817 HydrophobicContact CD1-CE2 4.34Å; Y803-F817 AromaticContact CD1-CZ 3.84Å; Y803-F817 HydrophobicContact CD1-CZ 3.84Å; Y803-F817 HydrophobicContact CD2-CE2 4.45Å; Y803-F817 AromaticContact CD2-CZ 3.9Å; Y803-F817 HydrophobicContact CD2-CZ 3.9Å; Y803-F817 AromaticContact CE1-CZ 4Å; Y803-F817 HydrophobicContact CE1-CZ 4Å; Y803-F817 HydrophobicContact CE2-CZ 4.07Å; Y803-F817 HydrophobicContact CG-CE2 4.07Å; Y803-F817 AromaticContact CG-CZ 3.76Å; Y803-F817 HydrophobicContact CG-CZ 3.76Å; F817-P819 HydrophobicContact CD2-CB 4.48Å; F817-P819 HydrophobicContact CD2-CG 4.38Å; F817-P819 HydrophobicContact CE1-CG 4.29Å; F817-P819 HydrophobicContact CE2-CB 3.75Å; F817-P819 HydrophobicContact CE2-CG 3.9Å; F817-P819 HydrophobicContact CZ-CB 3.96Å; F817-P819 HydrophobicContact CZ-CG 3.85Å; F817-E884 WeakPolarHBondContact CD2-OE1 3.4Å; F817-E884 WeakPolarHBondContact CD2-OE2 3.42Å; F817-L919 HydrophobicContact CE1-CD2 3.87Å; F817-L919 HydrophobicContact CZ-CD2 4.29Å; F817-Q920 HydrophobicContact CB-CB 4.29Å; F817-Q920 HydrophobicContact CD1-CB 3.87Å; F817-Q920 HydrophobicContact CG-CB 4.27Å; F817-Q920 WeakPolarHBondContact O-CB 3.48Å; F817-Q920 WeakPolarHBondContact O-CG 3.36Å; F817-F923 HydrophobicContact CD1-CD2 4.34Å; F817-F923 AromaticContact CE1-CD2 3.99Å; F817-F923 HydrophobicContact CE1-CD2 3.99Å; F817-F923 AromaticContact CE1-CE2 3.86Å; F817-F923 HydrophobicContact CE1-CE2 3.86Å; F817-F923 HydrophobicContact CE1-CG 4.43Å; F817-F923 HydrophobicContact CE1-CZ 4.17Å; F817-I960 HydrophobicContact CE1-CD1 4.3Å; F817-I960 HydrophobicContact CZ-CD1 4.11Å
818	L	98.2	Very high	95.4	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	27%	0.268	C	S	.	.			trans	-128.8	74.3	-176.8	-67.8	173.2	0	0	0	109.7	D501 R806 D810 S812 L816	D501-L818 WeakPolarHBondContact O-CD2 3.49Å; R806-L818 HydrophobicContact CG-CB 4.17Å; R806-L818 PolarHBondContact N-O 3.29Å; D810-L818 HydrophobicContact CB-CD1 4.35Å; S812-L818 PolarHBondContact OG-N 3.43Å; L816-L818 HydrophobicContact CB-CD1 4.23Å; L816-L818 HydrophobicContact CB-CG 4.22Å; L816-L818 HydrophobicContact CD1-CD1 3.87Å
819	P	97.6	Very high	95.3	Very high	16 Å²	16	59.5 Å²	59.5	10%	0.104	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-66.5	156.9	-172.2	24.1	-29.8	0	0	0	112.9	Y803 G804 F817 G821 L919	Y803-P819 HydrophobicContact CD1-CB 3.63Å; Y803-P819 HydrophobicContact CD1-CG 4.4Å; Y803-P819 HydrophobicContact CE1-CB 4.3Å; Y803-P819 HydrophobicContact CG-CB 4.36Å; G804-P819 VanDerWaalsContact O-CA 3.26Å; G804-P819 WeakPolarHBondContact O-CA 3.42Å; F817-P819 HydrophobicContact CD2-CB 4.48Å; F817-P819 HydrophobicContact CD2-CG 4.38Å; F817-P819 HydrophobicContact CE1-CG 4.29Å; F817-P819 HydrophobicContact CE2-CB 3.75Å; F817-P819 HydrophobicContact CE2-CG 3.9Å; F817-P819 HydrophobicContact CZ-CB 3.96Å; F817-P819 HydrophobicContact CZ-CG 3.85Å; P819-G821 PolarHBondContact O-N 3.28Å; P819-L919 HydrophobicContact CG-CD2 4.04Å
820	D	96.3	Very high	95.3	Very high	67 Å²	67	56 Å²	56	36%	0.358	28%	0.281	S	S	.	.	S	Bend	trans	-78.2	8.1	175	66.1	-24.9	0	0	0	114.2	G804	G804-D820 WeakPolarHBondContact CA-OD1 3.38Å; G804-D820 PolarHBondContact N-OD1 3.32Å; G804-D820 PolarHBondContact O-N 2.99Å
821	G	94.3	Very high	95.1	Very high	35 Å²	35	57.2 Å²	57.2	36%	0.361	29%	0.29	S	S	.	.	S	Bend	trans	142.7	-156.3	178.4	0	0	0	0	0	112.4	P819	P819-G821 PolarHBondContact O-N 3.28Å
822	K	95.1	Very high	94.9	Very high	174 Å²	174	54.9 Å²	54.9	76%	0.757	28%	0.281	S	S	*	.	S	Bend	trans	-62.8	146.8	170.9	-70.7	-172.8	174.5	-169.9	0	110.2
823	P	96	Very high	94.6	Very high	18 Å²	18	55.3 Å²	55.3	12%	0.117	29%	0.285	C	S	.	.			trans	-66.5	149.6	-179.1	28.7	-33.8	0	0	0	111.3	M801 Y803	M801-P823 HydrophobicContact CB-CB 3.86Å; M801-P823 HydrophobicContact CE-CB 4.38Å; M801-P823 HydrophobicContact CE-CG 4.36Å; Y803-P823 HydrophobicContact CD1-CB 3.89Å; Y803-P823 HydrophobicContact CD2-CB 4.08Å; Y803-P823 HydrophobicContact CE1-CB 3.54Å; Y803-P823 VanDerWaalsContact CE1-CD 3.45Å; Y803-P823 HydrophobicContact CE1-CG 3.79Å; Y803-P823 HydrophobicContact CE2-CB 3.72Å; Y803-P823 HydrophobicContact CE2-CG 4.21Å; Y803-P823 HydrophobicContact CG-CB 4.17Å; Y803-P823 VanDerWaalsContact CZ-CB 3.44Å; Y803-P823 WeakPolarHBondContact OH-CG 3.3Å
824	K	97.5	Very high	94.4	Very high	129 Å²	129	55.5 Å²	55.5	56%	0.561	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.2	142.8	178.2	-61.6	174	-173.3	165.9	0	109.1	M801 I802 Y826	M801-K824 CarbonylContact C-O 3.59Å; M801-K824 WeakPolarHBondContact CA-O 3.44Å; I802-K824 PolarHBondContact N-O 3.38Å; I802-K824 PolarHBondContact O-N 2.61Å; K824-Y826 PolarHBondContact O-N 3.14Å
825	P	97.4	Very high	94.3	Very high	99 Å²	99	56.4 Å²	56.4	64%	0.643	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.9	137.1	173.8	-25.7	34.3	0	0	0	111.3	M801 N827	M801-P825 HydrophobicContact CE-CG 4.08Å; P825-N827 PolarHBondContact O-N 2.98Å
826	Y	97.1	Very high	94.1	Very high	31 Å²	31	56.4 Å²	56.4	12%	0.122	29%	0.29	C	S	.	.			trans	-61	130.3	171.2	174.8	-89.6	0	0	0	109	F800 I802 K824 Q828 Y849 H851 F852 L885	F800-Y826 HydrophobicContact CB-CG 4.36Å; F800-Y826 VanDerWaalsContact O-CB 3.23Å; F800-Y826 WeakPolarHBondContact O-CB 3.5Å; F800-Y826 PolarHBondContact O-N 2.89Å; I802-Y826 HydrophobicContact CD1-CD2 4.07Å; I802-Y826 HydrophobicContact CG1-CD2 3.97Å; K824-Y826 PolarHBondContact O-N 3.14Å; Y826-Q828 HydrophobicContact CE1-CB 3.88Å; Y826-Q828 HydrophobicContact CE1-CG 4.05Å; Y826-Q828 PolarHBondContact OH-OE1 2.78Å; Y826-Y849 HydrophobicContact CD1-CD1 4.37Å; Y826-Y849 AromaticContact CE1-CD1 3.85Å; Y826-Y849 HydrophobicContact CE1-CD1 3.85Å; Y826-H851 HydrophobicContact CE2-CB 4.19Å; Y826-H851 AromaticContact CE2-ND1 3.38Å; Y826-H851 WeakPolarHBondContact CE2-ND1 3.39Å; Y826-H851 AromaticContact CZ-ND1 3.52Å; Y826-H851 PolarHBondContact OH-N 3.49Å; Y826-H851 PolarHBondContact OH-ND1 3.11Å; Y826-F852 AromaticContact CD1-CE1 3.85Å; Y826-F852 HydrophobicContact CD1-CE1 3.85Å; Y826-F852 AromaticContact CE1-CE1 3.78Å; Y826-F852 HydrophobicContact CE1-CE1 3.78Å; Y826-F852 HydrophobicContact CE2-CE1 4.46Å; Y826-F852 HydrophobicContact CG-CE1 4.24Å; Y826-L885 HydrophobicContact CD2-CD1 4.04Å
827	N	91.6	Very high	94	Very high	145 Å²	145	56.5 Å²	56.5	78%	0.775	29%	0.291	S	S	*	.			trans	-128	142.8	178.3	-169.6	16.5	0	0	0	109.6	P825	P825-N827 PolarHBondContact O-N 2.98Å
828	Q	88.1	Confident	93.8	Very high	34 Å²	34	59.6 Å²	59.6	16%	0.159	31%	0.305	C	S	.	.			trans	-136.2	156.1	176.3	60.7	176.3	20.2	0	0	110.5	Y826 E830 Y849	Y826-Q828 HydrophobicContact CE1-CB 3.88Å; Y826-Q828 HydrophobicContact CE1-CG 4.05Å; Y826-Q828 PolarHBondContact OH-OE1 2.78Å; Q828-E830 WeakPolarHBondContact CG-O 3.48Å; Q828-E830 PolarHBondContact NE2-O 2.71Å; Q828-Y849 HydrophobicContact CG-CD1 4.32Å; Q828-Y849 VanDerWaalsContact OE1-CD1 3.27Å
829	K	84.8	Confident	93.5	Very high	207 Å²	207	59.6 Å²	59.6	90%	0.9	31%	0.306	S	S	*	.	S	Bend	trans	-71.5	-41.3	-176.6	-66.2	-176.4	-179.4	179.1	0	112.6
830	E	86.7	Confident	93.2	Very high	115 Å²	115	58.9 Å²	58.9	54%	0.537	30%	0.301	S	S	.	.	S	Bend	trans	-103.8	140.8	-177.4	-64.5	-170.7	-171.7	0	0	110.7	R742 Q828	R742-E830 IonicContact CZ-OE2 3.12Å; R742-E830 IonicContact NE-OE2 2.77Å; R742-E830 IonicContact NH2-OE2 3.35Å; R742-E830 PolarHBondContact NH2-OE2 3.48Å; Q828-E830 WeakPolarHBondContact CG-O 3.48Å; Q828-E830 PolarHBondContact NE2-O 2.71Å
831	P	88.3	Confident	93	Very high	61 Å²	61	55.8 Å²	55.8	40%	0.396	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-65.9	149.7	174.4	30.3	-36	0	0	0	110.9	S740	S740-P831 WeakPolarHBondContact O-CG 3.32Å
832	P	92.4	Very high	93.1	Very high	11 Å²	11	54.2 Å²	54.2	7%	0.071	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-68.7	152	-177.5	31	-35.3	0	0	0	111.3	T779 Q848 Y849	T779-P832 WeakPolarHBondContact O-CG 3.4Å; P832-Q848 VanDerWaalsContact CA-O 3.25Å; P832-Q848 WeakPolarHBondContact CA-O 3.27Å; P832-Q848 WeakPolarHBondContact CB-O 3.39Å; P832-Y849 HydrophobicContact CB-CD1 4.3Å; P832-Y849 HydrophobicContact CB-CD2 3.98Å; P832-Y849 HydrophobicContact CB-CE1 4.14Å; P832-Y849 HydrophobicContact CB-CE2 3.81Å; P832-Y849 HydrophobicContact CB-CG 4.22Å; P832-Y849 HydrophobicContact CG-CE1 4.04Å; P832-Y849 HydrophobicContact CG-CE2 4.1Å
833	A	92.1	Very high	93.2	Very high	10 Å²	10	46.2 Å²	46.2	8%	0.083	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	129.4	163.7	0	0	0	0	0	108.5	A695 L739 Q848	A695-A833 HydrophobicContact CB-CB 4.01Å; L739-A833 HydrophobicContact CD2-CB 3.89Å; A833-Q848 PolarHBondContact N-O 3.49Å; A833-Q848 PolarHBondContact O-N 3.45Å
834	V	94.9	Very high	93.3	Very high	4 Å²	4	46 Å²	46	2%	0.024	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	124.9	180	-177.8	0	0	0	0	109.1	R738 F764 V836 V845 V846 A847	R738-V834 HydrophobicContact CB-CB 4.23Å; R738-V834 PolarHBondContact N-O 3.03Å; R738-V834 PolarHBondContact O-N 2.8Å; R738-V834 VanDerWaalsContact O-N 3.14Å; F764-V834 HydrophobicContact CZ-CG1 4.08Å; V834-V836 HydrophobicContact CG1-CG2 4.4Å; V834-V845 HydrophobicContact CG1-CG1 3.82Å; V834-V846 CarbonylContact C-O 3.53Å; V834-V846 WeakPolarHBondContact CA-O 3.29Å; V834-A847 HydrophobicContact CG2-CB 4.31Å
835	R	94.9	Very high	93.3	Very high	19 Å²	19	39.8 Å²	39.8	7%	0.072	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126.7	175.3	-178.5	176.5	64.6	-129.9	7.5	109.1	W692 T735 L737 V837 V845 V846	W692-R835 VanDerWaalsContact CG-CZ 3.45Å; T735-R835 HydrophobicContact CG2-CG 3.58Å; L737-R835 HydrophobicContact CD2-CB 3.87Å; L737-R835 HydrophobicContact CD2-CG 3.86Å; R835-V837 HydrophobicContact CG-CG2 4.15Å; R835-V845 CarbonylContact O-C 3.56Å; R835-V845 WeakPolarHBondContact O-CA 3.21Å; R835-V846 HydrophobicContact CB-CB 4.35Å; R835-V846 PolarHBondContact N-O 2.64Å; R835-V846 PolarHBondContact O-N 3.08Å
836	V	96.2	Very high	93.3	Very high	5 Å²	5	35.2 Å²	35.2	3%	0.03	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	123.4	174.1	-171.3	0	0	0	0	107.6	T735 L736 F764 I766 V834 E838 E844 V845	T735-V836 CarbonylContact C-O 3.53Å; T735-V836 WeakPolarHBondContact CA-O 3.47Å; L736-V836 HydrophobicContact CB-CB 4.32Å; L736-V836 PolarHBondContact N-O 2.98Å; L736-V836 PolarHBondContact O-N 3.34Å; F764-V836 HydrophobicContact CD2-CG2 4.18Å; F764-V836 HydrophobicContact CE2-CG1 4.37Å; F764-V836 HydrophobicContact CE2-CG2 3.43Å; F764-V836 VanDerWaalsContact CE2-CG2 3.43Å; F764-V836 HydrophobicContact CZ-CG2 3.85Å; I766-V836 HydrophobicContact CG2-CG1 3.76Å; V834-V836 HydrophobicContact CG1-CG2 4.4Å; V836-E838 HydrophobicContact CG1-CG 4.34Å; V836-E844 CarbonylContact C-O 3.57Å; V836-E844 WeakPolarHBondContact CA-O 3.21Å; V836-V845 HydrophobicContact CG1-CG2 4.32Å; V836-V845 HydrophobicContact CG2-CG2 4.37Å
837	V	95.4	Very high	93.3	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.018	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	126.8	175.1	-177.6	0	0	0	0	107.7	D734 T735 R835 S843 E844	D734-V837 WeakPolarHBondContact O-CA 3.5Å; T735-V837 HydrophobicContact CG2-CG2 4.37Å; R835-V837 HydrophobicContact CG-CG2 4.15Å; V837-S843 CarbonylContact O-C 3.34Å; V837-S843 WeakPolarHBondContact O-CA 3.47Å; V837-E844 HydrophobicContact CB-CG 3.68Å; V837-E844 HydrophobicContact CG2-CG 4Å; V837-E844 PolarHBondContact N-O 3.08Å; V837-E844 PolarHBondContact O-N 3.14Å
838	E	94.9	Very high	93.4	Very high	67 Å²	67	28.9 Å²	28.9	31%	0.313	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	130.8	177.2	-65.1	-169.6	154.9	0	0	110.4	S733 D734 V836	S733-E838 CarbonylContact C-O 3.57Å; S733-E838 VanDerWaalsContact CA-O 3.31Å; S733-E838 WeakPolarHBondContact CA-O 3.24Å; S733-E838 WeakPolarHBondContact CB-O 3.46Å; D734-E838 PolarHBondContact N-O 2.82Å; D734-E838 PolarHBondContact O-N 3.45Å; V836-E838 HydrophobicContact CG1-CG 4.34Å
839	G	92.8	Very high	93.8	Very high	2 Å²	2	28.8 Å²	28.8	2%	0.021	14%	0.14	C	C	.	.			trans	-156.5	174.7	175.1	0	0	0	0	0	113	W99 Q687 L841 F842	W99-G839 VanDerWaalsContact CD1-C 3.49Å; Q687-G839 VanDerWaalsContact OE1-CA 3.32Å; G839-L841 PolarHBondContact O-N 3.33Å; G839-F842 PolarHBondContact N-O 2.78Å; G839-F842 VanDerWaalsContact N-O 3.16Å
840	P	90.4	Very high	94.2	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.006	12%	0.122	C	C	.	.	S	Bend	trans	-70.4	-27.4	-172.7	27	-35.9	0	0	0	115.1	P91 W99 L101 Q687 I731 N860	P91-P840 HydrophobicContact CB-CB 3.76Å; P91-P840 HydrophobicContact CG-CB 4.31Å; W99-P840 HydrophobicContact CB-CB 4.3Å; W99-P840 HydrophobicContact CD2-CB 3.79Å; W99-P840 HydrophobicContact CE3-CB 3.81Å; W99-P840 VanDerWaalsContact CG-CA 3.48Å; W99-P840 HydrophobicContact CG-CB 4.04Å; W99-P840 HydrophobicContact CZ3-CB 4.35Å; L101-P840 HydrophobicContact CD2-CB 4.31Å; Q687-P840 HydrophobicContact CB-CG 4.29Å; Q687-P840 VanDerWaalsContact OE1-N 3.11Å; I731-P840 HydrophobicContact CB-CG 3.96Å; I731-P840 HydrophobicContact CD1-CB 4.38Å; I731-P840 HydrophobicContact CD1-CG 3.94Å; I731-P840 HydrophobicContact CG2-CG 3.86Å; P840-N860 WeakPolarHBondContact O-CB 3.27Å; P840-N860 PolarHBondContact O-ND2 2.97Å
841	L	92.9	Very high	94.7	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.01	10%	0.1	C	C	.	.	S	Bend	trans	-101.2	-32.5	-177.4	-64	179.5	0	0	0	112.8	L101 Q687 T706 M708 G839 N860	L101-L841 HydrophobicContact CD1-CD2 3.67Å; L101-L841 HydrophobicContact CD2-CD2 3.82Å; L101-L841 HydrophobicContact CG-CD2 4.41Å; Q687-L841 HydrophobicContact CB-CB 4.1Å; Q687-L841 HydrophobicContact CB-CD1 3.89Å; Q687-L841 HydrophobicContact CB-CG 4.08Å; T706-L841 HydrophobicContact CG2-CD1 4.25Å; T706-L841 WeakPolarHBondContact O-CD1 3.28Å; M708-L841 HydrophobicContact CB-CD2 4.35Å; G839-L841 PolarHBondContact O-N 3.33Å; L841-N860 PolarHBondContact O-N 3.26Å
842	F	95.6	Very high	95.2	Very high	1 Å²	1	16.9 Å²	16.9	0%	0.004	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	156.1	172.4	73.5	-91.2	0	0	0	111.7	Q687 T706 G839 E844 R857 I858	Q687-F842 HydrophobicContact CG-CE1 4.29Å; Q687-F842 VanDerWaalsContact NE2-CD1 3.33Å; Q687-F842 PolarHBondContact NE2-O 2.93Å; Q687-F842 PolarHBondContact OE1-O 3.26Å; T706-F842 HydrophobicContact CG2-CD1 3.96Å; T706-F842 HydrophobicContact CG2-CE1 4.07Å; T706-F842 WeakPolarHBondContact OG1-CE1 3.39Å; G839-F842 PolarHBondContact N-O 2.78Å; G839-F842 VanDerWaalsContact N-O 3.16Å; F842-E844 HydrophobicContact CD2-CB 4.43Å; F842-E844 HydrophobicContact CD2-CG 4.32Å; F842-E844 HydrophobicContact CE2-CG 3.95Å; F842-R857 HydrophobicContact CB-CG 4.17Å; F842-R857 HydrophobicContact CD2-CG 3.91Å; F842-R857 HydrophobicContact CG-CG 4.32Å; F842-I858 WeakPolarHBondContact CA-O 3.29Å; F842-I858 WeakPolarHBondContact CB-O 3.26Å
843	S	96.9	Very high	95.4	Very high	7 Å²	7	18.9 Å²	18.9	5%	0.049	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	146.3	165.5	-62	0	0	0	0	109.5	V837 R857 I858	V837-S843 CarbonylContact O-C 3.34Å; V837-S843 WeakPolarHBondContact O-CA 3.47Å; S843-R857 WeakPolarHBondContact O-CA 3.29Å; S843-I858 PolarHBondContact N-O 2.69Å; S843-I858 PolarHBondContact O-N 2.86Å
844	E	97.6	Very high	95.6	Very high	12 Å²	12	18.4 Å²	18.4	6%	0.056	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	153.3	179.5	63.3	170.7	-145.8	0	0	113.5	V836 V837 F842 V856 R857	V836-E844 CarbonylContact C-O 3.57Å; V836-E844 WeakPolarHBondContact CA-O 3.21Å; V837-E844 HydrophobicContact CB-CG 3.68Å; V837-E844 HydrophobicContact CG2-CG 4Å; V837-E844 PolarHBondContact N-O 3.08Å; V837-E844 PolarHBondContact O-N 3.14Å; F842-E844 HydrophobicContact CD2-CB 4.43Å; F842-E844 HydrophobicContact CD2-CG 4.32Å; F842-E844 HydrophobicContact CE2-CG 3.95Å; E844-V856 CarbonylContact C-O 3.54Å; E844-V856 WeakPolarHBondContact CA-O 3.46Å; E844-V856 WeakPolarHBondContact CB-O 3.4Å; E844-R857 HydrophobicContact CB-CB 3.9Å; E844-R857 HydrophobicContact CB-CG 4.12Å; E844-R857 IonicContact OE2-CZ 3.73Å; E844-R857 IonicContact OE2-NE 3.69Å; E844-R857 PolarHBondContact OE2-NE 2.65Å; E844-R857 IonicContact OE2-NH2 2.77Å; E844-R857 PolarHBondContact OE2-NH2 2.8Å
845	V	98.3	Very high	95.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	123.5	169.8	-179.5	0	0	0	0	108.6	F764 I766 F775 V834 R835 V836 T855 V856	F764-V845 HydrophobicContact CE2-CG1 4.43Å; F764-V845 HydrophobicContact CE2-CG2 3.81Å; F764-V845 HydrophobicContact CZ-CG1 4.05Å; F764-V845 HydrophobicContact CZ-CG2 4.24Å; I766-V845 HydrophobicContact CD1-CG2 4.12Å; I766-V845 HydrophobicContact CG2-CG2 4.27Å; F775-V845 HydrophobicContact CD1-CB 4.06Å; F775-V845 HydrophobicContact CD1-CG1 3.94Å; F775-V845 HydrophobicContact CD1-CG2 4.09Å; F775-V845 HydrophobicContact CD2-CG2 3.86Å; F775-V845 HydrophobicContact CE1-CB 3.78Å; F775-V845 HydrophobicContact CE1-CG1 4.11Å; F775-V845 HydrophobicContact CE1-CG2 3.95Å; F775-V845 HydrophobicContact CE2-CB 4.44Å; F775-V845 HydrophobicContact CE2-CG2 3.73Å; F775-V845 HydrophobicContact CG-CG1 4.41Å; F775-V845 HydrophobicContact CG-CG2 4.04Å; F775-V845 HydrophobicContact CZ-CB 3.98Å; F775-V845 HydrophobicContact CZ-CG2 3.76Å; V834-V845 HydrophobicContact CG1-CG1 3.82Å; R835-V845 CarbonylContact O-C 3.56Å; R835-V845 WeakPolarHBondContact O-CA 3.21Å; V836-V845 HydrophobicContact CG1-CG2 4.32Å; V836-V845 HydrophobicContact CG2-CG2 4.37Å; V845-T855 WeakPolarHBondContact O-CA 3.49Å; V845-V856 PolarHBondContact N-O 3.04Å; V845-V856 PolarHBondContact O-N 2.63Å
846	V	97.6	Very high	96	Very high	2 Å²	2	18.4 Å²	18.4	1%	0.012	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	114.1	174.8	-174.5	0	0	0	0	109.1	V834 R835 Q848 Q853 Q854 T855	V834-V846 CarbonylContact C-O 3.53Å; V834-V846 WeakPolarHBondContact CA-O 3.29Å; R835-V846 HydrophobicContact CB-CB 4.35Å; R835-V846 PolarHBondContact N-O 2.64Å; R835-V846 PolarHBondContact O-N 3.08Å; V846-Q848 HydrophobicContact CG1-CG 4.24Å; V846-Q853 HydrophobicContact CG1-CG 3.71Å; V846-Q854 CarbonylContact C-O 3.57Å; V846-Q854 VanDerWaalsContact CA-O 3.25Å; V846-Q854 WeakPolarHBondContact CA-O 3.42Å; V846-T855 HydrophobicContact CG2-CG2 4.05Å
847	A	96.3	Very high	96.1	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	120.5	175.9	0	0	0	0	0	109.8	V834 Y849 Q853 Q854	V834-A847 HydrophobicContact CG2-CB 4.31Å; A847-Y849 HydrophobicContact CB-CD2 4.37Å; A847-Y849 HydrophobicContact CB-CE2 3.81Å; A847-Q853 WeakPolarHBondContact O-CA 2.95Å; A847-Q854 HydrophobicContact CB-CB 4.46Å; A847-Q854 PolarHBondContact N-O 3.25Å; A847-Q854 PolarHBondContact O-N 3.02Å
848	Q	95	Very high	96.2	Very high	43 Å²	43	20 Å²	20	20%	0.201	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	115.1	-175.9	-65.3	-170.4	-2.5	0	0	111.5	A695 P832 A833 V846 Q853	A695-Q848 VanDerWaalsContact CA-CD 3.5Å; P832-Q848 VanDerWaalsContact CA-O 3.25Å; P832-Q848 WeakPolarHBondContact CA-O 3.27Å; P832-Q848 WeakPolarHBondContact CB-O 3.39Å; A833-Q848 PolarHBondContact N-O 3.49Å; A833-Q848 PolarHBondContact O-N 3.45Å; V846-Q848 HydrophobicContact CG1-CG 4.24Å; Q848-Q853 HydrophobicContact CG-CG 4.06Å
849	Y	95.3	Very high	96.1	Very high	32 Å²	32	17.2 Å²	17.2	13%	0.125	8%	0.081	C	C	.	.			trans	-108.8	170.1	176.6	-69.3	-107.4	0	0	0	110.3	T779 L781 Y826 Q828 P832 A847 H851 F852	T779-Y849 WeakPolarHBondContact CB-OH 3.44Å; T779-Y849 PolarHBondContact O-OH 2.82Å; L781-Y849 WeakPolarHBondContact CD1-OH 3.24Å; L781-Y849 HydrophobicContact CD2-CE2 3.85Å; L781-Y849 WeakPolarHBondContact CD2-OH 3.32Å; L781-Y849 VanDerWaalsContact CG-OH 3.26Å; L781-Y849 WeakPolarHBondContact CG-OH 3.36Å; Y826-Y849 HydrophobicContact CD1-CD1 4.37Å; Y826-Y849 AromaticContact CE1-CD1 3.85Å; Y826-Y849 HydrophobicContact CE1-CD1 3.85Å; Q828-Y849 HydrophobicContact CG-CD1 4.32Å; Q828-Y849 VanDerWaalsContact OE1-CD1 3.27Å; P832-Y849 HydrophobicContact CB-CD1 4.3Å; P832-Y849 HydrophobicContact CB-CD2 3.98Å; P832-Y849 HydrophobicContact CB-CE1 4.14Å; P832-Y849 HydrophobicContact CB-CE2 3.81Å; P832-Y849 HydrophobicContact CB-CG 4.22Å; P832-Y849 HydrophobicContact CG-CE1 4.04Å; P832-Y849 HydrophobicContact CG-CE2 4.1Å; A847-Y849 HydrophobicContact CB-CD2 4.37Å; A847-Y849 HydrophobicContact CB-CE2 3.81Å; Y849-H851 PolarHBondContact O-N 2.77Å; Y849-F852 CarbonylContact C-O 3.56Å; Y849-F852 VanDerWaalsContact CA-O 3.3Å; Y849-F852 WeakPolarHBondContact CA-O 3.39Å; Y849-F852 VanDerWaalsContact CB-O 3.24Å; Y849-F852 WeakPolarHBondContact CB-O 3.44Å; Y849-F852 AromaticContact CD1-CE1 3.81Å; Y849-F852 HydrophobicContact CD1-CE1 3.81Å; Y849-F852 HydrophobicContact CD1-CE2 4.29Å; Y849-F852 AromaticContact CD1-CZ 3.51Å; Y849-F852 HydrophobicContact CD1-CZ 3.51Å; Y849-F852 AromaticContact CD2-CD2 3.99Å; Y849-F852 HydrophobicContact CD2-CD2 3.99Å; Y849-F852 HydrophobicContact CD2-CE1 4.17Å; Y849-F852 AromaticContact CD2-CE2 3.24Å; Y849-F852 HydrophobicContact CD2-CE2 3.24Å; Y849-F852 AromaticContact CD2-CZ 3.35Å; Y849-F852 HydrophobicContact CD2-CZ 3.35Å; Y849-F852 HydrophobicContact CE1-CE1 4.49Å; Y849-F852 AromaticContact CE1-CZ 3.86Å; Y849-F852 HydrophobicContact CE1-CZ 3.86Å; Y849-F852 AromaticContact CE2-CE2 3.66Å; Y849-F852 HydrophobicContact CE2-CE2 3.66Å; Y849-F852 AromaticContact CE2-CZ 3.71Å; Y849-F852 HydrophobicContact CE2-CZ 3.71Å; Y849-F852 HydrophobicContact CG-CD1 4.27Å; Y849-F852 HydrophobicContact CG-CD2 4.26Å; Y849-F852 AromaticContact CG-CE1 3.63Å; Y849-F852 HydrophobicContact CG-CE1 3.63Å; Y849-F852 AromaticContact CG-CE2 3.61Å; Y849-F852 HydrophobicContact CG-CE2 3.61Å; Y849-F852 AromaticContact CG-CZ 3.25Å; Y849-F852 HydrophobicContact CG-CZ 3.25Å; Y849-F852 AromaticContact CZ-CZ 3.94Å; Y849-F852 PolarHBondContact N-O 3.38Å; Y849-F852 VanDerWaalsContact O-O 3.06Å
850	Q	94.4	Very high	96.1	Very high	115 Å²	115	17.4 Å²	17.4	54%	0.537	8%	0.081	S	C	.	.	S	Bend	trans	-60.7	-45.8	179.7	-177.4	-178.5	-14.9	0	0	112.8
851	H	97.1	Very high	95.9	Very high	13 Å²	13	17.6 Å²	17.6	6%	0.06	8%	0.082	C	C	.	.	S	Bend	trans	-108.4	-2.2	-174.2	-53	100.7	0	0	0	114	Y826 Y849 D876 I877 D879 Q880	Y826-H851 HydrophobicContact CE2-CB 4.19Å; Y826-H851 AromaticContact CE2-ND1 3.38Å; Y826-H851 WeakPolarHBondContact CE2-ND1 3.39Å; Y826-H851 AromaticContact CZ-ND1 3.52Å; Y826-H851 PolarHBondContact OH-N 3.49Å; Y826-H851 PolarHBondContact OH-ND1 3.11Å; Y849-H851 PolarHBondContact O-N 2.77Å; H851-D876 WeakPolarHBondContact CA-O 3.49Å; H851-D876 PolarHBondContact O-N 2.93Å; H851-I877 HydrophobicContact CB-CG2 4.24Å; H851-D879 IonicContact CD2-OD1 3.88Å; H851-D879 PolarHBondContact CD2-OD1 3.46Å; H851-D879 IonicContact CD2-OD2 3.89Å; H851-D879 IonicContact NE2-OD1 3.65Å; H851-D879 PolarHBondContact NE2-OD1 3.4Å; H851-D879 VanDerWaalsContact NE2-OD1 3.16Å; H851-D879 IonicContact NE2-OD2 3.44Å; H851-D879 PolarHBondContact NE2-OD2 2.82Å; H851-Q880 PolarHBondContact CE1-NE2 3.38Å; H851-Q880 PolarHBondContact NE2-NE2 3.14Å
852	F	97.5	Very high	95.6	Very high	6 Å²	6	20.1 Å²	20.1	3%	0.026	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	158.8	174.8	68.7	-88.2	0	0	0	112.6	F800 Y826 Y849 I873 L874 V875 L885	F800-F852 HydrophobicContact CB-CE1 4.04Å; F800-F852 HydrophobicContact CB-CZ 4.1Å; F800-F852 HydrophobicContact CD1-CD1 4.23Å; F800-F852 HydrophobicContact CD1-CD2 4.41Å; F800-F852 HydrophobicContact CD1-CE1 4.03Å; F800-F852 HydrophobicContact CD1-CE2 4.23Å; F800-F852 HydrophobicContact CD1-CG 4.41Å; F800-F852 HydrophobicContact CD1-CZ 4.03Å; F800-F852 HydrophobicContact CD2-CD2 4.44Å; F800-F852 HydrophobicContact CD2-CE1 4.04Å; F800-F852 AromaticContact CD2-CE2 3.55Å; F800-F852 HydrophobicContact CD2-CE2 3.55Å; F800-F852 AromaticContact CD2-CZ 3.3Å; F800-F852 HydrophobicContact CD2-CZ 3.3Å; F800-F852 HydrophobicContact CE1-CD2 4Å; F800-F852 HydrophobicContact CE1-CE2 4.04Å; F800-F852 HydrophobicContact CE1-CG 4.25Å; F800-F852 HydrophobicContact CE1-CZ 4.32Å; F800-F852 HydrophobicContact CE2-CD2 4.04Å; F800-F852 AromaticContact CE2-CE2 3.33Å; F800-F852 HydrophobicContact CE2-CE2 3.33Å; F800-F852 AromaticContact CE2-CZ 3.66Å; F800-F852 HydrophobicContact CE2-CZ 3.66Å; F800-F852 HydrophobicContact CG-CD1 4.4Å; F800-F852 AromaticContact CG-CE1 3.74Å; F800-F852 HydrophobicContact CG-CE1 3.74Å; F800-F852 AromaticContact CG-CE2 3.99Å; F800-F852 HydrophobicContact CG-CE2 3.99Å; F800-F852 AromaticContact CG-CZ 3.51Å; F800-F852 HydrophobicContact CG-CZ 3.51Å; F800-F852 AromaticContact CZ-CD2 3.8Å; F800-F852 HydrophobicContact CZ-CD2 3.8Å; F800-F852 AromaticContact CZ-CE2 3.6Å; F800-F852 HydrophobicContact CZ-CE2 3.6Å; F800-F852 HydrophobicContact CZ-CZ 4.15Å; Y826-F852 AromaticContact CD1-CE1 3.85Å; Y826-F852 HydrophobicContact CD1-CE1 3.85Å; Y826-F852 AromaticContact CE1-CE1 3.78Å; Y826-F852 HydrophobicContact CE1-CE1 3.78Å; Y826-F852 HydrophobicContact CE2-CE1 4.46Å; Y826-F852 HydrophobicContact CG-CE1 4.24Å; Y849-F852 CarbonylContact C-O 3.56Å; Y849-F852 VanDerWaalsContact CA-O 3.3Å; Y849-F852 WeakPolarHBondContact CA-O 3.39Å; Y849-F852 VanDerWaalsContact CB-O 3.24Å; Y849-F852 WeakPolarHBondContact CB-O 3.44Å; Y849-F852 AromaticContact CD1-CE1 3.81Å; Y849-F852 HydrophobicContact CD1-CE1 3.81Å; Y849-F852 HydrophobicContact CD1-CE2 4.29Å; Y849-F852 AromaticContact CD1-CZ 3.51Å; Y849-F852 HydrophobicContact CD1-CZ 3.51Å; Y849-F852 AromaticContact CD2-CD2 3.99Å; Y849-F852 HydrophobicContact CD2-CD2 3.99Å; Y849-F852 HydrophobicContact CD2-CE1 4.17Å; Y849-F852 AromaticContact CD2-CE2 3.24Å; Y849-F852 HydrophobicContact CD2-CE2 3.24Å; Y849-F852 AromaticContact CD2-CZ 3.35Å; Y849-F852 HydrophobicContact CD2-CZ 3.35Å; Y849-F852 HydrophobicContact CE1-CE1 4.49Å; Y849-F852 AromaticContact CE1-CZ 3.86Å; Y849-F852 HydrophobicContact CE1-CZ 3.86Å; Y849-F852 AromaticContact CE2-CE2 3.66Å; Y849-F852 HydrophobicContact CE2-CE2 3.66Å; Y849-F852 AromaticContact CE2-CZ 3.71Å; Y849-F852 HydrophobicContact CE2-CZ 3.71Å; Y849-F852 HydrophobicContact CG-CD1 4.27Å; Y849-F852 HydrophobicContact CG-CD2 4.26Å; Y849-F852 AromaticContact CG-CE1 3.63Å; Y849-F852 HydrophobicContact CG-CE1 3.63Å; Y849-F852 AromaticContact CG-CE2 3.61Å; Y849-F852 HydrophobicContact CG-CE2 3.61Å; Y849-F852 AromaticContact CG-CZ 3.25Å; Y849-F852 HydrophobicContact CG-CZ 3.25Å; Y849-F852 AromaticContact CZ-CZ 3.94Å; Y849-F852 PolarHBondContact N-O 3.38Å; Y849-F852 VanDerWaalsContact O-O 3.06Å; F852-I873 HydrophobicContact CB-CG2 4.27Å; F852-I873 HydrophobicContact CD2-CG2 4.49Å; F852-L874 CarbonylContact C-O 3.58Å; F852-L874 WeakPolarHBondContact CA-O 3.41Å; F852-V875 HydrophobicContact CB-CG2 4.39Å; F852-L885 HydrophobicContact CB-CD2 4.46Å; F852-L885 HydrophobicContact CD1-CD2 4.41Å
853	Q	97.5	Very high	95.2	Very high	52 Å²	52	20.3 Å²	20.3	24%	0.243	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	124.8	164.5	169.4	-171.8	-56.1	0	0	108.2	V846 A847 Q848 T855 I873 L874	V846-Q853 HydrophobicContact CG1-CG 3.71Å; A847-Q853 WeakPolarHBondContact O-CA 2.95Å; Q848-Q853 HydrophobicContact CG-CG 4.06Å; Q853-T855 PolarHBondContact NE2-OG1 3.01Å; Q853-I873 CarbonylContact O-C 3.48Å; Q853-I873 WeakPolarHBondContact O-CA 3.32Å; Q853-L874 HydrophobicContact CB-CB 4.21Å; Q853-L874 PolarHBondContact N-O 3.42Å; Q853-L874 PolarHBondContact O-N 3.03Å
854	Q	97.3	Very high	94.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	130.2	170.4	178	-165.2	-76	0	0	108.9	G780 M798 V846 A847 V856 I873	G780-Q854 PolarHBondContact O-NE2 3.15Å; M798-Q854 HydrophobicContact SD-CG 4.32Å; M798-Q854 PolarHBondContact SD-OE1 3.49Å; V846-Q854 CarbonylContact C-O 3.57Å; V846-Q854 VanDerWaalsContact CA-O 3.25Å; V846-Q854 WeakPolarHBondContact CA-O 3.42Å; A847-Q854 HydrophobicContact CB-CB 4.46Å; A847-Q854 PolarHBondContact N-O 3.25Å; A847-Q854 PolarHBondContact O-N 3.02Å; Q854-V856 HydrophobicContact CG-CG2 3.82Å; Q854-I873 HydrophobicContact CB-CD1 3.86Å; Q854-I873 HydrophobicContact CG-CD1 3.66Å
855	T	98.3	Very high	94.5	Very high	23 Å²	23	20.4 Å²	20.4	14%	0.141	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	117.5	166.9	-65.4	0	0	0	0	107.8	V845 V846 Q853 V871 T872	V845-T855 WeakPolarHBondContact O-CA 3.49Å; V846-T855 HydrophobicContact CG2-CG2 4.05Å; Q853-T855 PolarHBondContact NE2-OG1 3.01Å; T855-V871 CarbonylContact O-C 3.48Å; T855-V871 WeakPolarHBondContact O-CA 3.26Å; T855-T872 PolarHBondContact N-O 3.44Å; T855-T872 PolarHBondContact O-N 2.94Å
856	V	98.7	Very high	94.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	121.2	172.5	179.6	0	0	0	0	108.7	L773 F775 E844 V845 Q854 V869 D870 V871	L773-V856 HydrophobicContact CD1-CG1 3.88Å; F775-V856 HydrophobicContact CE1-CB 3.91Å; F775-V856 HydrophobicContact CE1-CG1 4.12Å; F775-V856 HydrophobicContact CE1-CG2 4.17Å; F775-V856 HydrophobicContact CZ-CB 3.92Å; F775-V856 HydrophobicContact CZ-CG1 3.72Å; E844-V856 CarbonylContact C-O 3.54Å; E844-V856 WeakPolarHBondContact CA-O 3.46Å; E844-V856 WeakPolarHBondContact CB-O 3.4Å; V845-V856 PolarHBondContact N-O 3.04Å; V845-V856 PolarHBondContact O-N 2.63Å; Q854-V856 HydrophobicContact CG-CG2 3.82Å; V856-V869 HydrophobicContact CG1-CG1 3.38Å; V856-D870 CarbonylContact C-O 3.6Å; V856-D870 WeakPolarHBondContact CA-O 3.28Å; V856-V871 HydrophobicContact CG1-CG2 4.46Å; V856-V871 HydrophobicContact CG2-CG1 4.43Å; V856-V871 HydrophobicContact CG2-CG2 4.2Å
857	R	98	Very high	93.9	Very high	40 Å²	40	21.9 Å²	21.9	15%	0.151	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	138.5	-177	179.9	-177.6	-70.2	-166.6	-4.3	110.4	E704 F842 S843 E844 H859 D870	E704-R857 IonicContact OE2-NH2 3.03Å; F842-R857 HydrophobicContact CB-CG 4.17Å; F842-R857 HydrophobicContact CD2-CG 3.91Å; F842-R857 HydrophobicContact CG-CG 4.32Å; S843-R857 WeakPolarHBondContact O-CA 3.29Å; E844-R857 HydrophobicContact CB-CB 3.9Å; E844-R857 HydrophobicContact CB-CG 4.12Å; E844-R857 IonicContact OE2-CZ 3.73Å; E844-R857 IonicContact OE2-NE 3.69Å; E844-R857 PolarHBondContact OE2-NE 2.65Å; E844-R857 IonicContact OE2-NH2 2.77Å; E844-R857 PolarHBondContact OE2-NH2 2.8Å; R857-H859 VanDerWaalsContact CD-NE2 3.31Å; R857-H859 WeakPolarHBondContact CD-NE2 3.24Å; R857-D870 HydrophobicContact CB-CB 4.25Å; R857-D870 PolarHBondContact N-O 2.94Å; R857-D870 PolarHBondContact O-N 3.49Å
858	I	97.1	Very high	93.9	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	135.6	170	54.4	-179.8	0	0	0	109.4	I766 T768 L771 L773 F842 S843 V869	I766-I858 HydrophobicContact CB-CD1 4.33Å; I766-I858 HydrophobicContact CD1-CD1 3.81Å; I766-I858 HydrophobicContact CD1-CG1 3.79Å; I766-I858 HydrophobicContact CG1-CD1 3.77Å; I766-I858 HydrophobicContact CG1-CG1 4.31Å; T768-I858 HydrophobicContact CG2-CB 3.98Å; T768-I858 HydrophobicContact CG2-CD1 3.69Å; T768-I858 HydrophobicContact CG2-CG1 3.64Å; L771-I858 HydrophobicContact CD1-CG2 4.37Å; L773-I858 HydrophobicContact CD1-CD1 4.45Å; L773-I858 HydrophobicContact CD1-CG2 3.38Å; L773-I858 HydrophobicContact CG-CD1 4.22Å; L773-I858 HydrophobicContact CG-CG2 3.94Å; F842-I858 WeakPolarHBondContact CA-O 3.29Å; F842-I858 WeakPolarHBondContact CB-O 3.26Å; S843-I858 PolarHBondContact N-O 2.69Å; S843-I858 PolarHBondContact O-N 2.86Å; I858-V869 HydrophobicContact CG2-CB 4.42Å; I858-V869 HydrophobicContact CG2-CG1 4.13Å; I858-V869 HydrophobicContact CG2-CG2 4.08Å
859	H	94.3	Very high	94	Very high	9 Å²	9	20 Å²	20	4%	0.042	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	135.9	-179.8	-59.4	93	0	0	0	109.9	R857 V861 D865 G866	R857-H859 VanDerWaalsContact CD-NE2 3.31Å; R857-H859 WeakPolarHBondContact CD-NE2 3.24Å; H859-V861 HydrophobicContact CB-CB 4.42Å; H859-V861 HydrophobicContact CB-CG2 4.34Å; H859-V861 PolarHBondContact O-N 2.9Å; H859-D865 HydrophobicContact CB-CB 4.49Å; H859-D865 IonicContact CD2-OD2 3.26Å; H859-D865 IonicContact CE1-OD1 2.59Å; H859-D865 PolarHBondContact CE1-OD1 3.17Å; H859-D865 IonicContact CG-OD1 3.65Å; H859-D865 IonicContact CG-OD2 3.82Å; H859-D865 IonicContact ND1-OD1 3.98Å; H859-D865 PolarHBondContact ND1-OD1 2.74Å; H859-D865 IonicContact ND1-OD2 3.82Å; H859-G866 VanDerWaalsContact O-CA 3.29Å; H859-G866 WeakPolarHBondContact O-CA 2.95Å
860	N	91.4	Very high	94.2	Very high	7 Å²	7	19.4 Å²	19.4	4%	0.037	10%	0.1	C	C	.	.			trans	-88.5	46.6	172.7	-163.3	33.1	0	0	0	110.3	W99 L101 T768 Q769 P840 L841	W99-N860 PolarHBondContact O-ND2 2.49Å; L101-N860 WeakPolarHBondContact CD1-O 3.03Å; T768-N860 HydrophobicContact CG2-CB 4.02Å; Q769-N860 WeakPolarHBondContact CG-OD1 3.42Å; Q769-N860 PolarHBondContact N-OD1 2.75Å; P840-N860 WeakPolarHBondContact O-CB 3.27Å; P840-N860 PolarHBondContact O-ND2 2.97Å; L841-N860 PolarHBondContact O-N 3.26Å
861	V	87.8	Confident	94.4	Very high	4 Å²	4	14 Å²	14	2%	0.024	8%	0.075	C	C	.	.	S	Bend	trans	-120.1	135.4	-176.8	179	0	0	0	0	108.1	L662 A664 M708 H859 G866	L662-V861 HydrophobicContact CD2-CG1 4.36Å; L662-V861 HydrophobicContact CG-CG1 3.98Å; A664-V861 HydrophobicContact CB-CG2 4.13Å; M708-V861 HydrophobicContact CG-CG1 4Å; M708-V861 HydrophobicContact CG-CG2 4.35Å; M708-V861 HydrophobicContact SD-CG1 3.83Å; M708-V861 HydrophobicContact SD-CG2 4.34Å; H859-V861 HydrophobicContact CB-CB 4.42Å; H859-V861 HydrophobicContact CB-CG2 4.34Å; H859-V861 PolarHBondContact O-N 2.9Å; V861-G866 VanDerWaalsContact O-CA 3.25Å; V861-G866 WeakPolarHBondContact O-CA 3.18Å; V861-G866 PolarHBondContact O-N 2.84Å
862	P	85.9	Confident	94.4	Very high	56 Å²	56	15 Å²	15	36%	0.364	8%	0.082	S	C	.	.	S	Bend	trans	-59.8	153	174.1	-19.9	31.1	0	0	0	111.6	L662	L662-P862 HydrophobicContact CD2-CB 3.98Å; L662-P862 HydrophobicContact CD2-CG 4.18Å
863	G	87.6	Confident	94.5	Very high	4 Å²	4	14.7 Å²	14.7	4%	0.041	8%	0.081	C	C	.	.	S	Bend	trans	96.9	-168.3	178.5	0	0	0	0	0	113.7	D865 G866 L867 L1092	G863-D865 PolarHBondContact O-N 2.96Å; G863-D865 VanDerWaalsContact O-N 3.14Å; G863-G866 PolarHBondContact O-N 3.49Å; G863-G866 VanDerWaalsContact O-N 3.1Å; G863-L867 VanDerWaalsContact O-CG 3.32Å; G863-L867 WeakPolarHBondContact O-CG 3.42Å; G863-L867 PolarHBondContact O-N 3.07Å; G863-L867 VanDerWaalsContact O-N 3.09Å; G863-L1092 WeakPolarHBondContact CA-O 3.34Å; G863-L1092 PolarHBondContact N-O 3.05Å
864	V	89.5	Confident	94.5	Very high	16 Å²	16	13.6 Å²	13.6	10%	0.097	8%	0.076	C	C	.	.	H	α-helix	trans	-52	-38.4	-175.2	-177.6	0	0	0	0	113.1	G866 L867 S868 A1015 T1016 L1019 F1094	V864-G866 VanDerWaalsContact C-N 3.34Å; V864-G866 PolarHBondContact O-N 3.32Å; V864-L867 PolarHBondContact O-N 2.65Å; V864-S868 PolarHBondContact O-N 3.28Å; V864-S868 PolarHBondContact O-OG 2.98Å; V864-A1015 HydrophobicContact CG1-CB 4.44Å; V864-A1015 HydrophobicContact CG2-CB 3.62Å; V864-T1016 WeakPolarHBondContact CG1-OG1 3.4Å; V864-L1019 HydrophobicContact CB-CD1 4Å; V864-L1019 HydrophobicContact CG1-CB 4.29Å; V864-L1019 HydrophobicContact CG1-CD1 3.89Å; V864-F1094 HydrophobicContact CG2-CD1 3.95Å; V864-F1094 HydrophobicContact CG2-CE1 3.9Å
865	D	90	Very high	94.6	Very high	5 Å²	5	13.6 Å²	13.6	3%	0.027	8%	0.076	C	C	.	.	H	α-helix	trans	-68.8	-31.8	-176.1	-154.1	18.1	0	0	0	112.8	A664 H859 G863 R988 L1019	A664-D865 PolarHBondContact N-OD2 2.82Å; H859-D865 HydrophobicContact CB-CB 4.49Å; H859-D865 IonicContact CD2-OD2 3.26Å; H859-D865 IonicContact CE1-OD1 2.59Å; H859-D865 PolarHBondContact CE1-OD1 3.17Å; H859-D865 IonicContact CG-OD1 3.65Å; H859-D865 IonicContact CG-OD2 3.82Å; H859-D865 IonicContact ND1-OD1 3.98Å; H859-D865 PolarHBondContact ND1-OD1 2.74Å; H859-D865 IonicContact ND1-OD2 3.82Å; G863-D865 PolarHBondContact O-N 2.96Å; G863-D865 VanDerWaalsContact O-N 3.14Å; D865-R988 IonicContact OD1-CZ 3.1Å; D865-R988 VanDerWaalsContact OD1-CZ 3.29Å; D865-R988 IonicContact OD1-NH1 3.33Å; D865-R988 PolarHBondContact OD1-NH1 3.43Å; D865-R988 IonicContact OD1-NH2 3.78Å; D865-R988 PolarHBondContact OD1-NH2 2.84Å; D865-L1019 HydrophobicContact CB-CD1 4.14Å
866	G	91.4	Very high	94.6	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.01	8%	0.08	C	C	.	.	H	α-helix	trans	-91.4	-13.6	174.1	0	0	0	0	0	114.7	T770 H859 V861 G863 V864	T770-G866 WeakPolarHBondContact CB-O 3.33Å; T770-G866 PolarHBondContact OG1-O 2.9Å; H859-G866 VanDerWaalsContact O-CA 3.29Å; H859-G866 WeakPolarHBondContact O-CA 2.95Å; V861-G866 VanDerWaalsContact O-CA 3.25Å; V861-G866 WeakPolarHBondContact O-CA 3.18Å; V861-G866 PolarHBondContact O-N 2.84Å; G863-G866 PolarHBondContact O-N 3.49Å; G863-G866 VanDerWaalsContact O-N 3.1Å; V864-G866 VanDerWaalsContact C-N 3.34Å; V864-G866 PolarHBondContact O-N 3.32Å
867	L	92.3	Very high	94.5	Very high	32 Å²	32	14.6 Å²	14.6	17%	0.168	8%	0.081	C	C	.	.	H	α-helix	trans	-87	-15.9	175.9	-68.3	173.7	0	0	0	113.4	T770 G863 V864 V1012 L1092 F1094	T770-L867 HydrophobicContact CG2-CD2 4.37Å; G863-L867 VanDerWaalsContact O-CG 3.32Å; G863-L867 WeakPolarHBondContact O-CG 3.42Å; G863-L867 PolarHBondContact O-N 3.07Å; G863-L867 VanDerWaalsContact O-N 3.09Å; V864-L867 PolarHBondContact O-N 2.65Å; L867-V1012 HydrophobicContact CD1-CG1 4.18Å; L867-L1092 HydrophobicContact CD1-CB 4.27Å; L867-L1092 HydrophobicContact CD1-CD2 3.81Å; L867-L1092 WeakPolarHBondContact CD1-O 3.49Å; L867-F1094 HydrophobicContact CD1-CE1 4.36Å
868	S	95.6	Very high	94.5	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.007	10%	0.096	C	C	.	.	S	Bend	trans	-119.8	158.1	-178.1	61.5	0	0	0	0	111.5	V864 R988 L989	V864-S868 PolarHBondContact O-N 3.28Å; V864-S868 PolarHBondContact O-OG 2.98Å; S868-R988 PolarHBondContact OG-NH1 3.43Å; S868-R988 VanDerWaalsContact OG-NH1 3.13Å; S868-L989 WeakPolarHBondContact CA-O 3.42Å
869	V	98	Very high	94.5	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.012	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	124.2	177	-176.8	0	0	0	0	109.3	L771 L773 I785 V856 I858 V871 R988 L989	L771-V869 HydrophobicContact CD1-CG2 4.1Å; L773-V869 HydrophobicContact CD1-CG1 3.73Å; L773-V869 HydrophobicContact CD1-CG2 3.97Å; L773-V869 HydrophobicContact CD2-CG2 4Å; I785-V869 HydrophobicContact CD1-CG2 4.34Å; V856-V869 HydrophobicContact CG1-CG1 3.38Å; I858-V869 HydrophobicContact CG2-CB 4.42Å; I858-V869 HydrophobicContact CG2-CG1 4.13Å; I858-V869 HydrophobicContact CG2-CG2 4.08Å; V869-V871 HydrophobicContact CG1-CG2 4.06Å; V869-R988 CarbonylContact O-C 3.58Å; V869-R988 VanDerWaalsContact O-CA 3.28Å; V869-R988 WeakPolarHBondContact O-CA 3.12Å; V869-L989 HydrophobicContact CB-CB 4.16Å; V869-L989 PolarHBondContact N-O 3.17Å; V869-L989 PolarHBondContact O-N 2.78Å
870	D	98.1	Very high	94.6	Very high	20 Å²	20	25 Å²	25	11%	0.107	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	124.8	174.5	-163.7	-33.4	0	0	0	110	V856 R857 R988	V856-D870 CarbonylContact C-O 3.6Å; V856-D870 WeakPolarHBondContact CA-O 3.28Å; R857-D870 HydrophobicContact CB-CB 4.25Å; R857-D870 PolarHBondContact N-O 2.94Å; R857-D870 PolarHBondContact O-N 3.49Å; D870-R988 IonicContact OD2-CZ 3.7Å; D870-R988 IonicContact OD2-NE 2.79Å; D870-R988 PolarHBondContact OD2-NE 3.31Å; D870-R988 IonicContact OD2-NH2 2.74Å; D870-R988 PolarHBondContact OD2-NH2 3.38Å
871	V	98.6	Very high	94.9	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.012	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	122.6	-179.2	-179.2	0	0	0	0	109.4	M798 T855 V856 V869 I873 F987 L989	M798-V871 HydrophobicContact CE-CG1 4.08Å; T855-V871 CarbonylContact O-C 3.48Å; T855-V871 WeakPolarHBondContact O-CA 3.26Å; V856-V871 HydrophobicContact CG1-CG2 4.46Å; V856-V871 HydrophobicContact CG2-CG1 4.43Å; V856-V871 HydrophobicContact CG2-CG2 4.2Å; V869-V871 HydrophobicContact CG1-CG2 4.06Å; V871-I873 HydrophobicContact CG1-CD1 3.76Å; V871-I873 HydrophobicContact CG1-CG1 4.19Å; V871-F987 HydrophobicContact CB-CB 4.22Å; V871-F987 PolarHBondContact N-O 2.93Å; V871-F987 PolarHBondContact O-N 3.28Å; V871-L989 HydrophobicContact CG2-CD1 4Å; V871-L989 HydrophobicContact CG2-CG 4.26Å
872	T	98.5	Very high	95.4	Very high	34 Å²	34	30.1 Å²	30.1	21%	0.209	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	123.9	171.4	-63.6	0	0	0	0	109.9	T855 N985 R986	T855-T872 PolarHBondContact N-O 3.44Å; T855-T872 PolarHBondContact O-N 2.94Å; T872-N985 CarbonylContact C-O 3.45Å; T872-N985 WeakPolarHBondContact CA-O 3.12Å; T872-R986 HydrophobicContact CG2-CG 4.32Å
873	I	98.6	Very high	95.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	104.4	174.6	-49.1	-53.3	0	0	0	108.9	M798 F800 F852 Q853 Q854 V871 V875 M887 M961 N985 F987	M798-I873 HydrophobicContact SD-CD1 4.4Å; F800-I873 HydrophobicContact CE1-CG2 3.84Å; F800-I873 HydrophobicContact CZ-CD1 3.94Å; F800-I873 HydrophobicContact CZ-CG1 4.34Å; F800-I873 HydrophobicContact CZ-CG2 4.02Å; F852-I873 HydrophobicContact CB-CG2 4.27Å; F852-I873 HydrophobicContact CD2-CG2 4.49Å; Q853-I873 CarbonylContact O-C 3.48Å; Q853-I873 WeakPolarHBondContact O-CA 3.32Å; Q854-I873 HydrophobicContact CB-CD1 3.86Å; Q854-I873 HydrophobicContact CG-CD1 3.66Å; V871-I873 HydrophobicContact CG1-CD1 3.76Å; V871-I873 HydrophobicContact CG1-CG1 4.19Å; I873-V875 HydrophobicContact CG2-CG2 3.79Å; I873-V875 PolarHBondContact O-N 3.02Å; I873-M887 HydrophobicContact CG1-SD 4.21Å; I873-M961 HydrophobicContact CB-SD 4.47Å; I873-N985 HydrophobicContact CB-CB 4.49Å; I873-N985 PolarHBondContact N-O 3.1Å; I873-N985 PolarHBondContact O-N 3.45Å; I873-F987 HydrophobicContact CG1-CD2 4.47Å; I873-F987 HydrophobicContact CG1-CE2 4.25Å
874	L	98.4	Very high	96.5	Very high	28 Å²	28	30.4 Å²	30.4	15%	0.147	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	106.8	176.8	-178.7	65.5	0	0	0	109.7	L635 F852 Q853 K982 T983 A984	L635-L874 HydrophobicContact CD1-CD1 3.72Å; F852-L874 CarbonylContact C-O 3.58Å; F852-L874 WeakPolarHBondContact CA-O 3.41Å; Q853-L874 HydrophobicContact CB-CB 4.21Å; Q853-L874 PolarHBondContact N-O 3.42Å; Q853-L874 PolarHBondContact O-N 3.03Å; L874-K982 HydrophobicContact CD1-CD 4.31Å; L874-K982 HydrophobicContact CD1-CG 3.9Å; L874-K982 HydrophobicContact CG-CG 4.32Å; L874-T983 CarbonylContact C-O 3.59Å; L874-T983 WeakPolarHBondContact CA-O 3.44Å; L874-A984 HydrophobicContact CD1-CB 4Å
875	V	98.5	Very high	96.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	138.5	-174	178.2	0	0	0	0	111.8	F852 I873 I877 L885 M961 D962 K982 T983	F852-V875 HydrophobicContact CB-CG2 4.39Å; I873-V875 HydrophobicContact CG2-CG2 3.79Å; I873-V875 PolarHBondContact O-N 3.02Å; V875-I877 HydrophobicContact CG1-CG2 3.86Å; V875-L885 HydrophobicContact CG1-CD2 3.82Å; V875-L885 HydrophobicContact CG2-CD2 4.15Å; V875-M961 HydrophobicContact CG2-CB 3.96Å; V875-D962 HydrophobicContact CG1-CB 3.85Å; V875-K982 WeakPolarHBondContact O-CA 3.34Å; V875-T983 PolarHBondContact N-O 3.11Å; V875-T983 PolarHBondContact O-N 3.25Å
876	D	97.9	Very high	97.3	Very high	41 Å²	41	29.5 Å²	29.5	22%	0.219	15%	0.148	C	C	.	.			trans	-143.2	94.7	170.4	-167.9	-7.5	0	0	0	110.4	H851 R878 K982	H851-D876 WeakPolarHBondContact CA-O 3.49Å; H851-D876 PolarHBondContact O-N 2.93Å; D876-R878 WeakPolarHBondContact OD1-CB 3.38Å; D876-R878 VanDerWaalsContact OD1-CG 3.32Å; D876-R878 WeakPolarHBondContact OD1-CG 3.03Å; D876-R878 IonicContact OD1-CZ 3.42Å; D876-R878 PolarHBondContact OD1-N 2.7Å; D876-R878 IonicContact OD1-NE 2.68Å; D876-R878 PolarHBondContact OD1-NE 2.92Å; D876-R878 IonicContact OD1-NH2 3.48Å; D876-R878 IonicContact OD2-CZ 3.63Å; D876-R878 IonicContact OD2-NE 2.88Å; D876-R878 PolarHBondContact OD2-NE 3.08Å; D876-R878 IonicContact OD2-NH2 2.83Å; D876-R878 PolarHBondContact OD2-NH2 2.93Å; D876-K982 HydrophobicContact CB-CG 4.36Å
877	I	97.6	Very high	97.7	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.015	15%	0.148	C	C	.	.			trans	-106.1	20.2	178.4	60.3	164.8	0	0	0	112.4	H851 V875 D879 Q880 L885 D962 R964	H851-I877 HydrophobicContact CB-CG2 4.24Å; V875-I877 HydrophobicContact CG1-CG2 3.86Å; I877-D879 PolarHBondContact O-N 3.07Å; I877-D879 VanDerWaalsContact O-N 3.16Å; I877-Q880 HydrophobicContact CB-CB 4.23Å; I877-Q880 HydrophobicContact CB-CG 3.97Å; I877-Q880 HydrophobicContact CG2-CG 4.34Å; I877-Q880 WeakPolarHBondContact O-CB 3.08Å; I877-Q880 PolarHBondContact O-N 2.82Å; I877-L885 HydrophobicContact CG2-CB 4.21Å; I877-L885 HydrophobicContact CG2-CD2 4.11Å; I877-D962 HydrophobicContact CD1-CB 3.73Å; I877-D962 HydrophobicContact CG1-CB 4.11Å; I877-D962 WeakPolarHBondContact CG1-OD2 3.19Å; I877-R964 HydrophobicContact CD1-CB 3.79Å; I877-R964 HydrophobicContact CG1-CB 4.34Å; I877-R964 WeakPolarHBondContact O-CD 3.34Å
878	R	97.8	Very high	98	Very high	126 Å²	126	29.3 Å²	29.3	48%	0.475	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.9	-174.3	-70.7	178.5	-66.6	166.9	1.6	113.7	D876 R964 N980	D876-R878 WeakPolarHBondContact OD1-CB 3.38Å; D876-R878 VanDerWaalsContact OD1-CG 3.32Å; D876-R878 WeakPolarHBondContact OD1-CG 3.03Å; D876-R878 IonicContact OD1-CZ 3.42Å; D876-R878 PolarHBondContact OD1-N 2.7Å; D876-R878 IonicContact OD1-NE 2.68Å; D876-R878 PolarHBondContact OD1-NE 2.92Å; D876-R878 IonicContact OD1-NH2 3.48Å; D876-R878 IonicContact OD2-CZ 3.63Å; D876-R878 IonicContact OD2-NE 2.88Å; D876-R878 PolarHBondContact OD2-NE 3.08Å; D876-R878 IonicContact OD2-NH2 2.83Å; D876-R878 PolarHBondContact OD2-NH2 2.93Å; R878-R964 PolarHBondContact O-NE 3.26Å; R878-R964 PolarHBondContact O-NH2 3.28Å; R878-N980 VanDerWaalsContact CD-O 3.23Å; R878-N980 WeakPolarHBondContact CD-O 3.46Å; R878-N980 HydrophobicContact CG-CB 4.02Å; R878-N980 VanDerWaalsContact CG-O 3.28Å; R878-N980 WeakPolarHBondContact CG-O 3.15Å
879	D	96.8	Very high	98.1	Very high	97 Å²	97	29.3 Å²	29.3	52%	0.519	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-8.4	176.2	71.1	-11	0	0	0	113.5	H851 I877	H851-D879 IonicContact CD2-OD1 3.88Å; H851-D879 PolarHBondContact CD2-OD1 3.46Å; H851-D879 IonicContact CD2-OD2 3.89Å; H851-D879 IonicContact NE2-OD1 3.65Å; H851-D879 PolarHBondContact NE2-OD1 3.4Å; H851-D879 VanDerWaalsContact NE2-OD1 3.16Å; H851-D879 IonicContact NE2-OD2 3.44Å; H851-D879 PolarHBondContact NE2-OD2 2.82Å; I877-D879 PolarHBondContact O-N 3.07Å; I877-D879 VanDerWaalsContact O-N 3.16Å
880	Q	96.6	Very high	98.1	Very high	47 Å²	47	30.3 Å²	30.3	22%	0.22	15%	0.151	C	C	.	.			trans	-80.5	159.9	-179.7	-62.3	-56.7	-63.3	0	0	112.2	H851 I877 K883 R964 M966	H851-Q880 PolarHBondContact CE1-NE2 3.38Å; H851-Q880 PolarHBondContact NE2-NE2 3.14Å; I877-Q880 HydrophobicContact CB-CB 4.23Å; I877-Q880 HydrophobicContact CB-CG 3.97Å; I877-Q880 HydrophobicContact CG2-CG 4.34Å; I877-Q880 WeakPolarHBondContact O-CB 3.08Å; I877-Q880 PolarHBondContact O-N 2.82Å; Q880-K883 HydrophobicContact CB-CB 4.02Å; Q880-K883 HydrophobicContact CB-CG 4.06Å; Q880-R964 WeakPolarHBondContact O-CD 3.36Å; Q880-R964 PolarHBondContact O-NE 2.79Å; Q880-M966 WeakPolarHBondContact O-CE 3.46Å
881	T	97.1	Very high	98.2	Very high	86 Å²	86	30 Å²	30	53%	0.528	15%	0.15	S	C	.	.	S	Bend	trans	-132	119.3	177.2	-69.1	0	0	0	0	110.3	K883 M966	T881-K883 VanDerWaalsContact C-N 3.33Å; T881-K883 PolarHBondContact O-N 2.99Å; T881-M966 HydrophobicContact CG2-CE 4.25Å; T881-M966 HydrophobicContact CG2-CG 3.77Å
882	N	97.9	Very high	98.1	Very high	32 Å²	32	33.5 Å²	33.5	17%	0.171	17%	0.169	C	C	.	.	S	Bend	trans	55	47.5	179.4	-74.4	-25.7	0	0	0	112.9	G804 T805 R964 L965 M966 Q967	G804-N882 WeakPolarHBondContact CA-O 3.32Å; T805-N882 HydrophobicContact CG2-CB 3.78Å; N882-R964 CarbonylContact C-O 3.38Å; N882-R964 WeakPolarHBondContact CA-O 3.43Å; N882-R964 PolarHBondContact N-O 2.87Å; N882-R964 VanDerWaalsContact N-O 3.08Å; N882-L965 WeakPolarHBondContact OD1-CA 3.26Å; N882-M966 PolarHBondContact OD1-N 2.89Å; N882-Q967 PolarHBondContact ND2-OE1 2.96Å; N882-Q967 VanDerWaalsContact ND2-OE1 3.14Å; N882-Q967 PolarHBondContact OD1-NE2 3.37Å; N882-Q967 PolarHBondContact OD1-OE1 3.17Å
883	K	98	Very high	98	Very high	65 Å²	65	32 Å²	32	28%	0.283	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	141.6	179.9	-61.4	-54.2	-172.2	178.7	0	110.8	I802 Y803 Q880 T881 R964	I802-K883 HydrophobicContact CG2-CB 4.42Å; I802-K883 HydrophobicContact CG2-CD 3.62Å; I802-K883 HydrophobicContact CG2-CG 4.37Å; Y803-K883 WeakPolarHBondContact O-CA 3.44Å; Q880-K883 HydrophobicContact CB-CB 4.02Å; Q880-K883 HydrophobicContact CB-CG 4.06Å; T881-K883 VanDerWaalsContact C-N 3.33Å; T881-K883 PolarHBondContact O-N 2.99Å; K883-R964 PolarHBondContact N-O 2.91Å; K883-R964 VanDerWaalsContact N-O 3.1Å; K883-R964 PolarHBondContact O-N 3.47Å
884	E	98.7	Very high	97.9	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	119.4	171.5	-40	-168.9	-154.3	0	0	107.1	I802 Y803 S812 F817 I960 D962 R963 L965	I802-E884 WeakPolarHBondContact CA-O 3.34Å; Y803-E884 PolarHBondContact N-O 3.05Å; Y803-E884 PolarHBondContact O-N 2.96Å; S812-E884 WeakPolarHBondContact CB-OE1 3.48Å; S812-E884 PolarHBondContact OG-OE1 2.93Å; F817-E884 WeakPolarHBondContact CD2-OE1 3.4Å; F817-E884 WeakPolarHBondContact CD2-OE2 3.42Å; E884-I960 HydrophobicContact CB-CG2 4.37Å; E884-D962 WeakPolarHBondContact CA-O 3.49Å; E884-R963 HydrophobicContact CB-CB 3.93Å; E884-R963 VanDerWaalsContact CD-NH2 3.33Å; E884-R963 HydrophobicContact CG-CB 3.73Å; E884-R963 IonicContact OE1-CZ 2.8Å; E884-R963 IonicContact OE1-NE 3.96Å; E884-R963 IonicContact OE1-NH2 3Å; E884-R963 PolarHBondContact OE1-NH2 2.75Å; E884-R963 IonicContact OE2-CZ 3.78Å; E884-R963 VanDerWaalsContact OE2-CZ 3.29Å; E884-R963 IonicContact OE2-NE 3.64Å; E884-R963 PolarHBondContact OE2-NE 2.74Å; E884-R963 IonicContact OE2-NH2 3.83Å; E884-R963 PolarHBondContact OE2-NH2 2.93Å; E884-L965 HydrophobicContact CG-CD2 4.46Å
885	L	98.8	Very high	97.7	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	131.8	-177.2	176	71	0	0	0	109.3	F800 I802 Y826 F852 V875 I877 M961 D962	F800-L885 HydrophobicContact CB-CD1 4.43Å; F800-L885 HydrophobicContact CD1-CD1 4.23Å; I802-L885 HydrophobicContact CD1-CB 4.05Å; I802-L885 HydrophobicContact CD1-CD1 3.59Å; I802-L885 HydrophobicContact CD1-CG 4.44Å; I802-L885 HydrophobicContact CG1-CD1 4.41Å; Y826-L885 HydrophobicContact CD2-CD1 4.04Å; F852-L885 HydrophobicContact CB-CD2 4.46Å; F852-L885 HydrophobicContact CD1-CD2 4.41Å; V875-L885 HydrophobicContact CG1-CD2 3.82Å; V875-L885 HydrophobicContact CG2-CD2 4.15Å; I877-L885 HydrophobicContact CG2-CB 4.21Å; I877-L885 HydrophobicContact CG2-CD2 4.11Å; L885-M961 PolarHBondContact O-N 3.23Å; L885-D962 PolarHBondContact N-O 2.75Å; L885-D962 PolarHBondContact O-N 3.48Å
886	S	98.5	Very high	97.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	149.8	178.4	53.8	0	0	0	0	112.7	F800 M801 E958 V959	F800-S886 CarbonylContact C-O 3.51Å; F800-S886 VanDerWaalsContact CA-O 3.31Å; F800-S886 WeakPolarHBondContact CA-O 3.39Å; M801-S886 WeakPolarHBondContact CB-OG 3.43Å; M801-S886 PolarHBondContact N-O 3.18Å; M801-S886 PolarHBondContact O-N 3.27Å; M801-S886 PolarHBondContact O-OG 2.62Å; S886-E958 WeakPolarHBondContact CB-OE1 3.23Å; S886-E958 PolarHBondContact OG-OE1 3.46Å; S886-V959 CarbonylContact C-O 3.59Å; S886-V959 WeakPolarHBondContact CA-O 3.26Å; S886-V959 VanDerWaalsContact CB-O 3.28Å; S886-V959 WeakPolarHBondContact CB-O 3.44Å
887	M	98.7	Very high	97.5	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	129	166.4	179.3	-171.2	70.3	0	0	107.8	M798 F800 I873 L941 E958 V959 M961 F987	M798-M887 HydrophobicContact CE-SD 3.87Å; M798-M887 HydrophobicContact CG-CG 3.95Å; M798-M887 HydrophobicContact CG-SD 4.36Å; M798-M887 HydrophobicContact SD-CG 4.16Å; M798-M887 HydrophobicContact SD-SD 3.88Å; F800-M887 HydrophobicContact CE1-CB 4.08Å; F800-M887 HydrophobicContact CE1-CG 4.41Å; F800-M887 HydrophobicContact CZ-CG 4.35Å; I873-M887 HydrophobicContact CG1-SD 4.21Å; M887-L941 HydrophobicContact CE-CD1 4.19Å; M887-L941 HydrophobicContact CE-CD2 3.9Å; M887-E958 CarbonylContact O-C 3.48Å; M887-E958 WeakPolarHBondContact O-CA 3.18Å; M887-V959 PolarHBondContact N-O 3.2Å; M887-V959 PolarHBondContact O-N 3.13Å; M887-M961 HydrophobicContact CB-CE 3.83Å; M887-M961 HydrophobicContact CB-CG 4.11Å; M887-M961 HydrophobicContact CB-SD 4.03Å; M887-M961 HydrophobicContact CE-CE 4.32Å; M887-F987 HydrophobicContact CE-CE2 4.47Å
888	R	98.7	Very high	97.4	Very high	27 Å²	27	42 Å²	42	10%	0.102	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	130.9	175.8	-178.7	-173.1	-66.6	-179.4	-10.9	110.2	M798 Q799 M801 V890 L957 E958	M798-R888 CarbonylContact C-O 3.56Å; M798-R888 WeakPolarHBondContact CA-O 3.32Å; Q799-R888 HydrophobicContact CB-CB 4.37Å; Q799-R888 PolarHBondContact N-O 2.93Å; Q799-R888 PolarHBondContact O-N 3.43Å; M801-R888 HydrophobicContact CG-CB 4.16Å; R888-V890 HydrophobicContact CG-CG2 3.98Å; R888-L957 CarbonylContact C-O 3.56Å; R888-L957 WeakPolarHBondContact CA-O 3.4Å; R888-E958 HydrophobicContact CB-CB 4.33Å; R888-E958 HydrophobicContact CB-CG 4.27Å; R888-E958 HydrophobicContact CG-CB 4.3Å; R888-E958 IonicContact CZ-OE2 3.89Å; R888-E958 IonicContact NE-OE2 3.75Å; R888-E958 PolarHBondContact NE-OE2 3.2Å; R888-E958 IonicContact NH2-OE1 3.8Å; R888-E958 IonicContact NH2-OE2 3.94Å; R888-E958 PolarHBondContact NH2-OE2 3.1Å
889	L	98.8	Very high	97.4	Very high	1 Å²	1	36 Å²	36	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	125.8	170.4	-55.2	174.5	0	0	0	108.1	V796 M798 L939 L941 Q956 L957 L989	V796-L889 HydrophobicContact CG1-CD2 4.43Å; M798-L889 HydrophobicContact CB-CD2 4.25Å; M798-L889 HydrophobicContact CE-CD2 3.88Å; M798-L889 HydrophobicContact CG-CD2 4.15Å; L889-L939 HydrophobicContact CD1-CD2 4.45Å; L889-L941 HydrophobicContact CD1-CD1 4.46Å; L889-L941 HydrophobicContact CD1-CD2 4.37Å; L889-Q956 VanDerWaalsContact O-CA 3.28Å; L889-Q956 WeakPolarHBondContact O-CA 3.03Å; L889-L957 HydrophobicContact CB-CB 4.47Å; L889-L957 PolarHBondContact N-O 2.7Å; L889-L957 PolarHBondContact O-N 2.87Å; L889-L989 HydrophobicContact CD1-CD2 3.58Å
890	V	98.7	Very high	97.5	Very high	24 Å²	24	31.7 Å²	31.7	15%	0.145	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	119.8	178	-177.2	0	0	0	0	109.3	Q797 R888 Q956	Q797-V890 HydrophobicContact CB-CB 4.27Å; Q797-V890 PolarHBondContact N-O 2.95Å; Q797-V890 PolarHBondContact O-N 3.11Å; R888-V890 HydrophobicContact CG-CG2 3.98Å; V890-Q956 HydrophobicContact CG2-CG 4.39Å
891	T	98.4	Very high	97.6	Very high	14 Å²	14	29.5 Å²	29.5	9%	0.086	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	173.3	-173.1	74.8	0	0	0	0	112.3	K795 V796 I893 I932 L939 G955	K795-T891 WeakPolarHBondContact O-CA 3.38Å; K795-T891 VanDerWaalsContact O-CB 3.23Å; K795-T891 WeakPolarHBondContact O-CB 3.34Å; V796-T891 HydrophobicContact CG1-CG2 4.45Å; V796-T891 HydrophobicContact CG2-CG2 4.33Å; T891-I893 WeakPolarHBondContact OG1-CB 3.29Å; T891-I893 PolarHBondContact OG1-N 2.78Å; T891-I932 HydrophobicContact CG2-CD1 4.32Å; T891-L939 HydrophobicContact CG2-CD2 3.56Å; T891-G955 WeakPolarHBondContact CB-O 3.2Å; T891-G955 PolarHBondContact N-O 3.08Å; T891-G955 WeakPolarHBondContact OG1-CA 3.44Å; T891-G955 PolarHBondContact OG1-O 3.25Å
892	N	97.1	Very high	97.6	Very high	74 Å²	74	25.5 Å²	25.5	40%	0.396	14%	0.138	S	C	.	.	S	Bend	trans	-94	7.7	168.3	61.1	-48.3	0	0	0	113.6	K795 Q894	K795-N892 HydrophobicContact CB-CB 4.36Å; K795-N892 WeakPolarHBondContact CB-OD1 3.36Å; K795-N892 PolarHBondContact N-OD1 2.87Å; N892-Q894 PolarHBondContact O-NE2 3.36Å
893	I	96.8	Very high	97.7	Very high	2 Å²	2	24 Å²	24	1%	0.01	13%	0.131	C	C	.	.			trans	-68	131.6	177.3	-63.9	174.9	0	0	0	109.8	T891 N895 I932 D934 H937 L939 G955	T891-I893 WeakPolarHBondContact OG1-CB 3.29Å; T891-I893 PolarHBondContact OG1-N 2.78Å; I893-N895 PolarHBondContact O-N 2.65Å; I893-I932 HydrophobicContact CB-CD1 4.28Å; I893-I932 HydrophobicContact CD1-CD1 4.48Å; I893-I932 HydrophobicContact CD1-CG1 4.37Å; I893-I932 HydrophobicContact CG2-CD1 4.47Å; I893-I932 HydrophobicContact CG2-CG1 4.43Å; I893-D934 WeakPolarHBondContact CA-OD2 3.24Å; I893-D934 HydrophobicContact CG2-CB 3.95Å; I893-H937 HydrophobicContact CD1-CB 4.33Å; I893-H937 HydrophobicContact CG1-CB 4.4Å; I893-L939 HydrophobicContact CD1-CB 3.58Å; I893-G955 WeakPolarHBondContact O-CA 3.26Å; I893-G955 PolarHBondContact O-N 3.21Å
894	Q	96.2	Very high	97.7	Very high	138 Å²	138	21 Å²	21	65%	0.645	12%	0.117	S	C	*	.			trans	-96.7	66.3	-175.5	-58.8	-59.4	-43	0	0	112.3	N892 G896 D934	N892-Q894 PolarHBondContact O-NE2 3.36Å; Q894-G896 VanDerWaalsContact C-N 3.33Å; Q894-D934 HydrophobicContact CB-CB 4.26Å; Q894-D934 PolarHBondContact N-OD2 2.88Å
895	N	95.3	Very high	97.7	Very high	13 Å²	13	21.8 Å²	21.8	7%	0.07	13%	0.126	C	C	.	.			trans	-82.6	-4.6	179.9	68.8	-68.8	0	0	0	114.7	I893 D897 V898 I932 Q933 S951 S954 G955	I893-N895 PolarHBondContact O-N 2.65Å; N895-D897 PolarHBondContact O-N 3.01Å; N895-V898 WeakPolarHBondContact CB-O 3.42Å; N895-V898 PolarHBondContact ND2-O 2.75Å; N895-V898 PolarHBondContact O-N 2.71Å; N895-V898 VanDerWaalsContact O-N 3.1Å; N895-I932 HydrophobicContact CB-CB 4Å; N895-I932 HydrophobicContact CB-CG2 4.3Å; N895-I932 WeakPolarHBondContact ND2-CG2 3.33Å; N895-Q933 WeakPolarHBondContact CA-O 3.47Å; N895-Q933 WeakPolarHBondContact CB-O 3.48Å; N895-S951 PolarHBondContact ND2-OG 2.64Å; N895-S954 PolarHBondContact N-OG 3.02Å; N895-G955 WeakPolarHBondContact OD1-CA 3.42Å; N895-G955 PolarHBondContact OD1-N 2.81Å
896	G	95.6	Very high	97.6	Very high	42 Å²	42	22.3 Å²	22.3	43%	0.433	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	-121.2	-179.5	0	0	0	0	0	111.6	Q894 S954	Q894-G896 VanDerWaalsContact C-N 3.33Å; G896-S954 PolarHBondContact N-OG 2.9Å; G896-S954 VanDerWaalsContact N-OG 3.09Å; G896-S954 WeakPolarHBondContact O-CA 3.48Å; G896-S954 WeakPolarHBondContact O-CB 3.16Å
897	D	95.5	Very high	97.5	Very high	55 Å²	55	23 Å²	23	29%	0.294	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	5.1	176.9	60.4	-1.7	0	0	0	113.3	N895 R912 F913	N895-D897 PolarHBondContact O-N 3.01Å; D897-R912 HydrophobicContact CB-CG 4.28Å; D897-R912 CarbonylContact O-C 3.59Å; D897-R912 VanDerWaalsContact O-CA 3.27Å; D897-R912 WeakPolarHBondContact O-CA 3.25Å; D897-R912 IonicContact OD1-CZ 3.6Å; D897-R912 IonicContact OD1-NE 3.86Å; D897-R912 IonicContact OD1-NH2 3.6Å; D897-R912 IonicContact OD2-CZ 3.87Å; D897-R912 IonicContact OD2-NE 2.68Å; D897-R912 PolarHBondContact OD2-NE 2.79Å; D897-R912 IonicContact OD2-NH2 3.96Å; D897-R912 PolarHBondContact OD2-NH2 3.49Å; D897-F913 HydrophobicContact CB-CB 4.27Å; D897-F913 PolarHBondContact O-N 2.87Å
898	V	96.3	Very high	97.4	Very high	34 Å²	34	23.5 Å²	23.5	21%	0.206	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	134.8	-176	-179.9	0	0	0	0	111.1	N895 Y900 R911	N895-V898 WeakPolarHBondContact CB-O 3.42Å; N895-V898 PolarHBondContact ND2-O 2.75Å; N895-V898 PolarHBondContact O-N 2.71Å; N895-V898 VanDerWaalsContact O-N 3.1Å; V898-Y900 HydrophobicContact CG1-CE2 3.95Å; V898-R911 WeakPolarHBondContact CA-O 3.33Å
899	F	97.8	Very high	97.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	172.9	170.9	66.3	-74.4	0	0	0	109.3	T901 R911 Y924 I932	F899-T901 HydrophobicContact CD2-CG2 3.9Å; F899-T901 HydrophobicContact CE2-CG2 3.71Å; F899-R911 HydrophobicContact CD1-CB 3.78Å; F899-R911 HydrophobicContact CD2-CB 3.97Å; F899-R911 HydrophobicContact CD2-CG 4.24Å; F899-R911 HydrophobicContact CE1-CB 3.51Å; F899-R911 HydrophobicContact CE2-CB 3.71Å; F899-R911 HydrophobicContact CE2-CG 3.87Å; F899-R911 HydrophobicContact CG-CB 4.02Å; F899-R911 HydrophobicContact CZ-CB 3.48Å; F899-R911 VanDerWaalsContact CZ-CB 3.48Å; F899-R911 HydrophobicContact CZ-CG 4.05Å; F899-R911 PolarHBondContact N-O 2.93Å; F899-R911 WeakPolarHBondContact O-CA 3.4Å; F899-R911 WeakPolarHBondContact O-CB 3.38Å; F899-R911 PolarHBondContact O-N 2.67Å; F899-R911 VanDerWaalsContact O-O 3.09Å; F899-Y924 HydrophobicContact CE1-CE2 4.49Å; F899-Y924 HydrophobicContact CE2-CD2 4.08Å; F899-Y924 AromaticContact CZ-CD2 3.58Å; F899-Y924 HydrophobicContact CZ-CD2 3.58Å; F899-Y924 AromaticContact CZ-CE2 3.79Å; F899-Y924 HydrophobicContact CZ-CE2 3.79Å; F899-I932 HydrophobicContact CB-CG2 3.87Å
900	Y	98.1	Very high	97.1	Very high	8 Å²	8	22.7 Å²	22.7	3%	0.031	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	134.7	-171.5	-58.3	-96.5	0	0	0	109.8	V898 I908 P910 A930 Y931 Q933	V898-Y900 HydrophobicContact CG1-CE2 3.95Å; Y900-I908 HydrophobicContact CD1-CG2 4.18Å; Y900-I908 HydrophobicContact CG-CG2 4.42Å; Y900-P910 HydrophobicContact CD1-CB 3.97Å; Y900-P910 HydrophobicContact CD1-CG 4Å; Y900-P910 HydrophobicContact CE1-CB 3.86Å; Y900-P910 HydrophobicContact CE1-CG 3.89Å; Y900-A930 CarbonylContact O-C 3.55Å; Y900-A930 WeakPolarHBondContact O-CA 3.41Å; Y900-A930 WeakPolarHBondContact O-CB 3.29Å; Y900-Y931 VanDerWaalsContact CB-CE2 3.45Å; Y900-Y931 AromaticContact CD1-CE2 3.93Å; Y900-Y931 HydrophobicContact CD1-CE2 3.93Å; Y900-Y931 AromaticContact CD1-CZ 3.96Å; Y900-Y931 AromaticContact CD2-CD2 3.5Å; Y900-Y931 HydrophobicContact CD2-CD2 3.5Å; Y900-Y931 VanDerWaalsContact CD2-CD2 3.5Å; Y900-Y931 AromaticContact CD2-CE2 3.17Å; Y900-Y931 HydrophobicContact CD2-CE2 3.17Å; Y900-Y931 HydrophobicContact CD2-CG 4.48Å; Y900-Y931 AromaticContact CD2-CZ 3.97Å; Y900-Y931 HydrophobicContact CE1-CE2 4.48Å; Y900-Y931 HydrophobicContact CE2-CD2 4.33Å; Y900-Y931 AromaticContact CE2-CE2 3.86Å; Y900-Y931 HydrophobicContact CE2-CE2 3.86Å; Y900-Y931 AromaticContact CG-CD2 3.84Å; Y900-Y931 HydrophobicContact CG-CD2 3.84Å; Y900-Y931 HydrophobicContact CG-CE1 4.32Å; Y900-Y931 AromaticContact CG-CE2 3.22Å; Y900-Y931 HydrophobicContact CG-CE2 3.22Å; Y900-Y931 AromaticContact CG-CZ 3.5Å; Y900-Y931 PolarHBondContact N-O 2.68Å; Y900-Y931 PolarHBondContact O-N 3.05Å; Y900-Q933 HydrophobicContact CE2-CG 3.97Å
901	T	98.6	Very high	97	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	149.6	174.6	75.1	0	0	0	0	109.8	F899 Q909 R911 P925 A930 V949	F899-T901 HydrophobicContact CD2-CG2 3.9Å; F899-T901 HydrophobicContact CE2-CG2 3.71Å; T901-Q909 PolarHBondContact N-O 3.3Å; T901-Q909 VanDerWaalsContact N-O 3.16Å; T901-Q909 PolarHBondContact O-N 3.29Å; T901-R911 HydrophobicContact CG2-CG 3.87Å; T901-R911 PolarHBondContact OG1-NE 2.94Å; T901-P925 PolarHBondContact OG1-O 2.84Å; T901-A930 HydrophobicContact CG2-CB 4.23Å; T901-V949 HydrophobicContact CG2-CG1 3.47Å; T901-V949 VanDerWaalsContact CG2-CG1 3.47Å
902	D	98.4	Very high	96.9	Very high	2 Å²	2	26 Å²	26	1%	0.011	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	156.7	173.7	76.1	-65.7	0	0	0	112.8	G905 Q907 I908 S927 S928 Q929	D902-G905 WeakPolarHBondContact OD2-CA 3.31Å; D902-G905 PolarHBondContact OD2-N 2.95Å; D902-Q907 CarbonylContact C-O 3.52Å; D902-Q907 WeakPolarHBondContact CA-O 3.44Å; D902-I908 HydrophobicContact CB-CD1 3.81Å; D902-S927 PolarHBondContact OD1-N 3.04Å; D902-S927 PolarHBondContact OD2-OG 3.35Å; D902-S928 VanDerWaalsContact CG-N 3.3Å; D902-S928 PolarHBondContact OD1-N 3.41Å; D902-S928 WeakPolarHBondContact OD2-CB 3.19Å; D902-S928 PolarHBondContact OD2-N 2.81Å; D902-S928 PolarHBondContact OD2-OG 2.92Å; D902-Q929 HydrophobicContact CB-CG 4.01Å; D902-Q929 PolarHBondContact N-O 3.46Å; D902-Q929 PolarHBondContact OD1-N 2.84Å
903	L	98.4	Very high	96.9	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.01	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	108.9	165.5	-71.3	178.8	0	0	0	108.2	A295 T296 D492 F494 G905 Y906 Q907 Q909	A295-L903 HydrophobicContact CB-CD1 4.2Å; T296-L903 PolarHBondContact OG1-O 2.77Å; D492-L903 HydrophobicContact CB-CD1 4.01Å; D492-L903 HydrophobicContact CB-CD2 4.4Å; F494-L903 HydrophobicContact CD2-CD2 4.11Å; F494-L903 HydrophobicContact CE2-CD2 4.2Å; L903-G905 PolarHBondContact O-N 2.89Å; L903-G905 VanDerWaalsContact O-N 3.08Å; L903-Y906 PolarHBondContact O-N 3.16Å; L903-Q907 HydrophobicContact CB-CG 3.96Å; L903-Q907 HydrophobicContact CD1-CG 4.27Å; L903-Q907 PolarHBondContact N-O 3.16Å; L903-Q907 PolarHBondContact O-N 3.37Å; L903-Q909 HydrophobicContact CD1-CB 3.93Å; L903-Q909 HydrophobicContact CD1-CG 4.41Å; L903-Q909 HydrophobicContact CG-CB 3.95Å
904	N	98.7	Very high	96.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	57	20.8	176.3	-46.5	101.5	0	0	0	114.8	E255 A258 H259 Y260 M263 S294 T296 Y906 S927	E255-N904 PolarHBondContact O-ND2 3.01Å; A258-N904 VanDerWaalsContact O-CA 3.3Å; A258-N904 WeakPolarHBondContact O-CA 3.31Å; A258-N904 WeakPolarHBondContact O-CB 3.24Å; A258-N904 PolarHBondContact O-ND2 3.45Å; H259-N904 CarbonylContact C-O 3.55Å; H259-N904 WeakPolarHBondContact CA-O 3.38Å; H259-N904 PolarHBondContact CD2-O 2.77Å; Y260-N904 WeakPolarHBondContact CD1-O 3.37Å; Y260-N904 PolarHBondContact N-O 2.98Å; M263-N904 HydrophobicContact SD-CB 3.72Å; S294-N904 VanDerWaalsContact CB-OD1 3.29Å; S294-N904 WeakPolarHBondContact CB-OD1 3.25Å; S294-N904 PolarHBondContact OG-OD1 2.98Å; T296-N904 WeakPolarHBondContact CB-OD1 3.4Å; T296-N904 HydrophobicContact CG2-CB 4.12Å; T296-N904 PolarHBondContact OG1-OD1 3.39Å; N904-Y906 PolarHBondContact O-N 2.85Å; N904-S927 WeakPolarHBondContact CA-OG 3.36Å; N904-S927 PolarHBondContact N-OG 2.83Å
905	G	97.6	Very high	96.9	Very high	18 Å²	18	27.9 Å²	27.9	19%	0.186	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	11.6	-172.2	0	0	0	0	0	115.2	Y260 D902 L903 S927 S928	Y260-G905 VanDerWaalsContact CE1-O 3.31Å; Y260-G905 WeakPolarHBondContact CE1-O 3.42Å; D902-G905 WeakPolarHBondContact OD2-CA 3.31Å; D902-G905 PolarHBondContact OD2-N 2.95Å; L903-G905 PolarHBondContact O-N 2.89Å; L903-G905 VanDerWaalsContact O-N 3.08Å; G905-S927 PolarHBondContact N-OG 2.82Å; G905-S927 VanDerWaalsContact N-OG 3.13Å; G905-S928 VanDerWaalsContact CA-OG 3.29Å; G905-S928 WeakPolarHBondContact CA-OG 3.35Å
906	Y	97.8	Very high	96.9	Very high	13 Å²	13	31.4 Å²	31.4	5%	0.051	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-51	-178.3	172.4	-122.4	0	0	0	112.6	Y260 T296 Y299 W336 L903 N904 H1079 M1142 I1144	Y260-Y906 HydrophobicContact CD2-CD2 4.32Å; Y260-Y906 HydrophobicContact CE2-CD2 4.49Å; T296-Y906 HydrophobicContact CG2-CD1 3.98Å; T296-Y906 HydrophobicContact CG2-CG 4.29Å; Y299-Y906 AromaticContact CD1-CE1 3.83Å; Y299-Y906 HydrophobicContact CD1-CE1 3.83Å; Y299-Y906 AromaticContact CD1-CZ 3.68Å; Y299-Y906 WeakPolarHBondContact CD1-OH 3.23Å; Y299-Y906 HydrophobicContact CE1-CE1 4.29Å; Y299-Y906 HydrophobicContact CE1-CE2 4.21Å; Y299-Y906 AromaticContact CE1-CZ 3.65Å; Y299-Y906 WeakPolarHBondContact CE1-OH 3.36Å; Y299-Y906 WeakPolarHBondContact CE2-OH 3.05Å; Y299-Y906 HydrophobicContact CG-CE1 4.12Å; W336-Y906 VanDerWaalsContact CZ2-OH 3.28Å; W336-Y906 WeakPolarHBondContact CZ2-OH 3.05Å; L903-Y906 PolarHBondContact O-N 3.16Å; N904-Y906 PolarHBondContact O-N 2.85Å; Y906-H1079 AromaticContact CD2-CE1 3.75Å; Y906-H1079 AromaticContact CE2-CE1 3.87Å; Y906-H1079 AromaticContact CE2-NE2 3.65Å; Y906-M1142 HydrophobicContact CE1-CE 4.49Å; Y906-M1142 HydrophobicContact CE2-CE 4.13Å; Y906-M1142 WeakPolarHBondContact O-CE 3.41Å; Y906-M1142 PolarHBondContact OH-O 2.89Å; Y906-I1144 HydrophobicContact CD2-CD1 4.28Å; Y906-I1144 HydrophobicContact CE2-CD1 3.97Å; Y906-I1144 HydrophobicContact CE2-CG1 4.21Å
907	Q	95.9	Very high	97	Very high	13 Å²	13	29.9 Å²	29.9	6%	0.061	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	163.5	-175.9	66.7	-172.3	-51.9	0	0	111.4	D902 L903 M1142	D902-Q907 CarbonylContact C-O 3.52Å; D902-Q907 WeakPolarHBondContact CA-O 3.44Å; L903-Q907 HydrophobicContact CB-CG 3.96Å; L903-Q907 HydrophobicContact CD1-CG 4.27Å; L903-Q907 PolarHBondContact N-O 3.16Å; L903-Q907 PolarHBondContact O-N 3.37Å; Q907-M1142 HydrophobicContact CB-CE 3.86Å
908	I	96.9	Very high	97.1	Very high	14 Å²	14	29.4 Å²	29.4	7%	0.072	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	129.8	177.4	-54.6	-64.9	0	0	0	110.6	Y900 D902 Q929 Y931 S1007 P1009	Y900-I908 HydrophobicContact CD1-CG2 4.18Å; Y900-I908 HydrophobicContact CG-CG2 4.42Å; D902-I908 HydrophobicContact CB-CD1 3.81Å; I908-Q929 HydrophobicContact CD1-CG 3.9Å; I908-Y931 HydrophobicContact CD1-CE1 4.26Å; I908-Y931 HydrophobicContact CG1-CE1 4.29Å; I908-Y931 HydrophobicContact CG2-CE1 3.88Å; I908-Y931 WeakPolarHBondContact CG2-OH 3.48Å; I908-S1007 WeakPolarHBondContact CB-O 3.48Å; I908-P1009 HydrophobicContact CD1-CG 4.49Å; I908-P1009 HydrophobicContact CG1-CG 4.13Å
909	Q	95.6	Very high	97.2	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.019	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	116.5	175.7	-179.1	55.6	58	0	0	109.3	T901 L903 R911	T901-Q909 PolarHBondContact N-O 3.3Å; T901-Q909 VanDerWaalsContact N-O 3.16Å; T901-Q909 PolarHBondContact O-N 3.29Å; L903-Q909 HydrophobicContact CD1-CB 3.93Å; L903-Q909 HydrophobicContact CD1-CG 4.41Å; L903-Q909 HydrophobicContact CG-CB 3.95Å; Q909-R911 VanDerWaalsContact CG-NH1 3.32Å
910	P	95.7	Very high	97.2	Very high	6 Å²	6	30 Å²	30	4%	0.039	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	138.6	167.4	-21.3	32	0	0	0	110.5	L132 Y900	L132-P910 HydrophobicContact CD1-CB 4.11Å; L132-P910 WeakPolarHBondContact CD2-O 3.4Å; Y900-P910 HydrophobicContact CD1-CB 3.97Å; Y900-P910 HydrophobicContact CD1-CG 4Å; Y900-P910 HydrophobicContact CE1-CB 3.86Å; Y900-P910 HydrophobicContact CE1-CG 3.89Å
911	R	96.8	Very high	97.2	Very high	5 Å²	5	29.7 Å²	29.7	2%	0.019	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	152.7	179.8	-54.5	-55.9	-177.6	178.8	-1.7	109.4	D492 V898 F899 T901 Q909 Y924	D492-R911 IonicContact OD1-CZ 2.81Å; D492-R911 IonicContact OD1-NH1 3.28Å; D492-R911 PolarHBondContact OD1-NH1 2.95Å; D492-R911 IonicContact OD2-CZ 3.79Å; D492-R911 IonicContact OD2-NH1 3.61Å; D492-R911 PolarHBondContact OD2-NH1 2.71Å; D492-R911 IonicContact OD2-NH2 3.35Å; D492-R911 PolarHBondContact OD2-NH2 2.94Å; V898-R911 WeakPolarHBondContact CA-O 3.33Å; F899-R911 HydrophobicContact CD1-CB 3.78Å; F899-R911 HydrophobicContact CD2-CB 3.97Å; F899-R911 HydrophobicContact CD2-CG 4.24Å; F899-R911 HydrophobicContact CE1-CB 3.51Å; F899-R911 HydrophobicContact CE2-CB 3.71Å; F899-R911 HydrophobicContact CE2-CG 3.87Å; F899-R911 HydrophobicContact CG-CB 4.02Å; F899-R911 HydrophobicContact CZ-CB 3.48Å; F899-R911 VanDerWaalsContact CZ-CB 3.48Å; F899-R911 HydrophobicContact CZ-CG 4.05Å; F899-R911 PolarHBondContact N-O 2.93Å; F899-R911 WeakPolarHBondContact O-CA 3.4Å; F899-R911 WeakPolarHBondContact O-CB 3.38Å; F899-R911 PolarHBondContact O-N 2.67Å; F899-R911 VanDerWaalsContact O-O 3.09Å; T901-R911 HydrophobicContact CG2-CG 3.87Å; T901-R911 PolarHBondContact OG1-NE 2.94Å; Q909-R911 VanDerWaalsContact CG-NH1 3.32Å; R911-Y924 HydrophobicContact CB-CD2 4.48Å; R911-Y924 HydrophobicContact CB-CE2 4.34Å; R911-Y924 HydrophobicContact CG-CD1 4.44Å; R911-Y924 HydrophobicContact CG-CD2 4.24Å; R911-Y924 HydrophobicContact CG-CE2 4.49Å; R911-Y924 HydrophobicContact CG-CG 4.2Å
912	R	96.2	Very high	97.2	Very high	103 Å²	103	29.8 Å²	29.8	39%	0.389	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	134.5	174.6	-167.9	173.9	-171.9	156.2	13.2	110.1	D897 Y914	D897-R912 HydrophobicContact CB-CG 4.28Å; D897-R912 CarbonylContact O-C 3.59Å; D897-R912 VanDerWaalsContact O-CA 3.27Å; D897-R912 WeakPolarHBondContact O-CA 3.25Å; D897-R912 IonicContact OD1-CZ 3.6Å; D897-R912 IonicContact OD1-NE 3.86Å; D897-R912 IonicContact OD1-NH2 3.6Å; D897-R912 IonicContact OD2-CZ 3.87Å; D897-R912 IonicContact OD2-NE 2.68Å; D897-R912 PolarHBondContact OD2-NE 2.79Å; D897-R912 IonicContact OD2-NH2 3.96Å; D897-R912 PolarHBondContact OD2-NH2 3.49Å; R912-Y914 HydrophobicContact CB-CD2 4.46Å; R912-Y914 HydrophobicContact CB-CE2 3.82Å; R912-Y914 HydrophobicContact CG-CE1 4.32Å; R912-Y914 HydrophobicContact CG-CE2 4.42Å; R912-Y914 WeakPolarHBondContact O-CD2 3.43Å; R912-Y914 WeakPolarHBondContact O-CE2 3.39Å
913	F	97.2	Very high	97.2	Very high	58 Å²	58	29.7 Å²	29.7	25%	0.254	14%	0.142	S	C	.	.			trans	-73.1	125	168.5	177.3	-96	0	0	0	109.4	D897 Q915 N922 L952	D897-F913 HydrophobicContact CB-CB 4.27Å; D897-F913 PolarHBondContact O-N 2.87Å; F913-Q915 HydrophobicContact CE1-CB 4.29Å; F913-N922 HydrophobicContact CD2-CB 3.89Å; F913-N922 HydrophobicContact CE2-CB 4.1Å; F913-L952 HydrophobicContact CD2-CD2 4.35Å; F913-L952 HydrophobicContact CE2-CD2 3.97Å
914	Y	96.7	Very high	97.2	Very high	15 Å²	15	29.8 Å²	29.8	6%	0.059	14%	0.142	C	C	.	.			trans	-114.3	110.9	178.9	-69.9	-74.3	0	0	0	110.2	L132 Y135 S136 R912 K916 L917 N922	L132-Y914 PolarHBondContact O-OH 3.24Å; Y135-Y914 HydrophobicContact CD1-CD2 4.39Å; Y135-Y914 HydrophobicContact CD1-CE2 4.01Å; Y135-Y914 HydrophobicContact CG-CE2 4.43Å; S136-Y914 PolarHBondContact OG-OH 3.25Å; S136-Y914 VanDerWaalsContact OG-OH 3.11Å; R912-Y914 HydrophobicContact CB-CD2 4.46Å; R912-Y914 HydrophobicContact CB-CE2 3.82Å; R912-Y914 HydrophobicContact CG-CE1 4.32Å; R912-Y914 HydrophobicContact CG-CE2 4.42Å; R912-Y914 WeakPolarHBondContact O-CD2 3.43Å; R912-Y914 WeakPolarHBondContact O-CE2 3.39Å; Y914-K916 PolarHBondContact O-N 3.44Å; Y914-L917 HydrophobicContact CD2-CD1 4.15Å; Y914-L917 HydrophobicContact CG-CD1 4.41Å; Y914-L917 PolarHBondContact O-N 3.18Å; Y914-N922 PolarHBondContact N-OD1 3.14Å; Y914-N922 PolarHBondContact O-ND2 2.81Å; Y914-N922 VanDerWaalsContact O-ND2 3.16Å
915	Q	95.9	Very high	97.2	Very high	180 Å²	180	29.9 Å²	29.9	84%	0.841	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-25.5	174.8	-169.8	178	15	0	0	113	F913 L917	F913-Q915 HydrophobicContact CE1-CB 4.29Å; Q915-L917 PolarHBondContact O-N 3.38Å
916	K	96.2	Very high	97.2	Very high	87 Å²	87	29.1 Å²	29.1	38%	0.378	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-17.6	175.2	62.4	179	176.8	-174.6	0	113.7	Y135 S136 L138 F140 Y914	Y135-K916 WeakPolarHBondContact O-CE 3.38Å; Y135-K916 PolarHBondContact O-NZ 2.82Å; S136-K916 PolarHBondContact O-NZ 2.79Å; L138-K916 WeakPolarHBondContact O-CE 3.39Å; L138-K916 PolarHBondContact O-NZ 3.37Å; F140-K916 HydrophobicContact CD2-CD 4.39Å; Y914-K916 PolarHBondContact O-N 3.44Å
917	L	97.6	Very high	97.2	Very high	11 Å²	11	28.5 Å²	28.5	6%	0.058	13%	0.132	C	C	.	.	S	Bend	trans	-93.4	150.1	175.6	-63.1	-174.8	0	0	0	110.1	F140 Y503 Y914 Q915	F140-L917 HydrophobicContact CB-CD2 3.74Å; F140-L917 HydrophobicContact CD1-CD2 3.92Å; F140-L917 HydrophobicContact CD2-CD2 3.43Å; F140-L917 VanDerWaalsContact CD2-CD2 3.43Å; F140-L917 HydrophobicContact CD2-CG 4.43Å; F140-L917 HydrophobicContact CE1-CD2 4.35Å; F140-L917 HydrophobicContact CE2-CD2 3.9Å; F140-L917 HydrophobicContact CG-CD2 3.42Å; F140-L917 VanDerWaalsContact CG-CD2 3.42Å; F140-L917 HydrophobicContact CZ-CD2 4.34Å; Y503-L917 WeakPolarHBondContact OH-CD2 3.37Å; Y914-L917 HydrophobicContact CD2-CD1 4.15Å; Y914-L917 HydrophobicContact CG-CD1 4.41Å; Y914-L917 PolarHBondContact O-N 3.18Å; Q915-L917 PolarHBondContact O-N 3.38Å
918	P	97	Very high	97.3	Very high	44 Å²	44	28.1 Å²	28.1	29%	0.286	13%	0.131	S	C	.	.			trans	-64.2	162.7	169.4	32	-36.9	0	0	0	110.4	D501 Y503 Q920 G921 N922	D501-P918 HydrophobicContact CB-CG 4.21Å; Y503-P918 HydrophobicContact CD2-CG 3.84Å; Y503-P918 HydrophobicContact CE2-CG 3.44Å; Y503-P918 VanDerWaalsContact CE2-CG 3.44Å; P918-Q920 VanDerWaalsContact C-N 3.3Å; P918-Q920 HydrophobicContact CG-CG 4.46Å; P918-Q920 PolarHBondContact O-N 2.72Å; P918-G921 WeakPolarHBondContact O-CA 3.47Å; P918-G921 PolarHBondContact O-N 2.96Å; P918-N922 PolarHBondContact O-ND2 3.28Å
919	L	97.4	Very high	97.4	Very high	37 Å²	37	27.9 Å²	27.9	19%	0.194	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-52.1	-48.2	-175.7	-176.8	157.7	0	0	0	112	Y803 F817 P819 G921 N922 F923 L952	Y803-L919 HydrophobicContact CE1-CD1 3.91Å; Y803-L919 HydrophobicContact CE1-CD2 3.96Å; F817-L919 HydrophobicContact CE1-CD2 3.87Å; F817-L919 HydrophobicContact CZ-CD2 4.29Å; P819-L919 HydrophobicContact CG-CD2 4.04Å; L919-G921 PolarHBondContact O-N 3.49Å; L919-N922 PolarHBondContact O-N 3.09Å; L919-F923 HydrophobicContact CD2-CD2 4.08Å; L919-F923 HydrophobicContact CD2-CE2 3.53Å; L919-L952 HydrophobicContact CD1-CD1 4.41Å; L919-L952 HydrophobicContact CG-CD1 4.49Å; L919-L952 HydrophobicContact CG-CD2 4.31Å
920	Q	97.7	Very high	97.5	Very high	11 Å²	11	27.7 Å²	27.7	5%	0.051	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-64.5	-19.8	-179.6	64.8	-88.8	22.8	0	0	114.2	D501 Y503 T505 F817 P918 N922	D501-Q920 PolarHBondContact O-NE2 2.72Å; D501-Q920 PolarHBondContact OD2-NE2 3.23Å; Y503-Q920 HydrophobicContact CD2-CG 3.85Å; Y503-Q920 HydrophobicContact CG-CG 4.12Å; T505-Q920 VanDerWaalsContact CG2-O 3.24Å; T505-Q920 WeakPolarHBondContact CG2-O 3.48Å; T505-Q920 PolarHBondContact OG1-O 3.47Å; F817-Q920 HydrophobicContact CB-CB 4.29Å; F817-Q920 HydrophobicContact CD1-CB 3.87Å; F817-Q920 HydrophobicContact CG-CB 4.27Å; F817-Q920 WeakPolarHBondContact O-CB 3.48Å; F817-Q920 WeakPolarHBondContact O-CG 3.36Å; P918-Q920 VanDerWaalsContact C-N 3.3Å; P918-Q920 HydrophobicContact CG-CG 4.46Å; P918-Q920 PolarHBondContact O-N 2.72Å; Q920-N922 VanDerWaalsContact C-N 3.25Å; Q920-N922 PolarHBondContact O-N 3.37Å
921	G	98.1	Very high	97.7	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.01	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-79.7	-5.3	174.6	0	0	0	0	0	114.1	Y503 P918 L919	Y503-G921 VanDerWaalsContact CD1-CA 3.42Å; P918-G921 WeakPolarHBondContact O-CA 3.47Å; P918-G921 PolarHBondContact O-N 2.96Å; L919-G921 PolarHBondContact O-N 3.49Å
922	N	98.5	Very high	97.7	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-104.2	6.8	175.9	-70.8	-76.5	0	0	0	112.8	F913 Y914 P918 L919 Q920 Y924 S950 L952	F913-N922 HydrophobicContact CD2-CB 3.89Å; F913-N922 HydrophobicContact CE2-CB 4.1Å; Y914-N922 PolarHBondContact N-OD1 3.14Å; Y914-N922 PolarHBondContact O-ND2 2.81Å; Y914-N922 VanDerWaalsContact O-ND2 3.16Å; P918-N922 PolarHBondContact O-ND2 3.28Å; L919-N922 PolarHBondContact O-N 3.09Å; Q920-N922 VanDerWaalsContact C-N 3.25Å; Q920-N922 PolarHBondContact O-N 3.37Å; N922-Y924 WeakPolarHBondContact O-CD2 3.3Å; N922-Y924 WeakPolarHBondContact O-CE2 3.41Å; N922-S950 WeakPolarHBondContact O-CB 3.46Å; N922-S950 PolarHBondContact O-OG 2.88Å; N922-L952 HydrophobicContact CB-CD2 4.46Å
923	F	98.8	Very high	97.7	Very high	1 Å²	1	22.8 Å²	22.8	0%	0.004	11%	0.11	C	C	.	.			trans	-92.6	139.1	172.7	-86	-100.1	0	0	0	110.7	T505 F817 L919 V949 L952 I960	T505-F923 HydrophobicContact CG2-CB 4.13Å; T505-F923 WeakPolarHBondContact CG2-O 3.31Å; F817-F923 HydrophobicContact CD1-CD2 4.34Å; F817-F923 AromaticContact CE1-CD2 3.99Å; F817-F923 HydrophobicContact CE1-CD2 3.99Å; F817-F923 AromaticContact CE1-CE2 3.86Å; F817-F923 HydrophobicContact CE1-CE2 3.86Å; F817-F923 HydrophobicContact CE1-CG 4.43Å; F817-F923 HydrophobicContact CE1-CZ 4.17Å; L919-F923 HydrophobicContact CD2-CD2 4.08Å; L919-F923 HydrophobicContact CD2-CE2 3.53Å; F923-V949 WeakPolarHBondContact CA-O 3.26Å; F923-L952 HydrophobicContact CE2-CD1 4.43Å; F923-L952 HydrophobicContact CE2-CD2 4.23Å; F923-I960 HydrophobicContact CD1-CG1 4.26Å; F923-I960 HydrophobicContact CE1-CD1 3.94Å; F923-I960 HydrophobicContact CE1-CG1 3.73Å; F923-I960 HydrophobicContact CZ-CD1 4.22Å; F923-I960 HydrophobicContact CZ-CG1 4.5Å
924	Y	98.9	Very high	97.4	Very high	4 Å²	4	21 Å²	21	2%	0.016	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	158.6	-176.6	-66.6	-90.3	0	0	0	110	F494 F899 R911 N922 V949	F494-Y924 HydrophobicContact CB-CD1 4.31Å; F494-Y924 WeakPolarHBondContact O-CE1 3.34Å; F899-Y924 HydrophobicContact CE1-CE2 4.49Å; F899-Y924 HydrophobicContact CE2-CD2 4.08Å; F899-Y924 AromaticContact CZ-CD2 3.58Å; F899-Y924 HydrophobicContact CZ-CD2 3.58Å; F899-Y924 AromaticContact CZ-CE2 3.79Å; F899-Y924 HydrophobicContact CZ-CE2 3.79Å; R911-Y924 HydrophobicContact CB-CD2 4.48Å; R911-Y924 HydrophobicContact CB-CE2 4.34Å; R911-Y924 HydrophobicContact CG-CD1 4.44Å; R911-Y924 HydrophobicContact CG-CD2 4.24Å; R911-Y924 HydrophobicContact CG-CE2 4.49Å; R911-Y924 HydrophobicContact CG-CG 4.2Å; N922-Y924 WeakPolarHBondContact O-CD2 3.3Å; N922-Y924 WeakPolarHBondContact O-CE2 3.41Å; Y924-V949 PolarHBondContact N-O 3.13Å; Y924-V949 PolarHBondContact O-N 3.17Å
925	P	98.7	Very high	97.1	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.013	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	142.5	174.1	28.5	-32	0	0	0	110.9	A256 F494 Y508 T901	A256-P925 HydrophobicContact CB-CB 3.94Å; A256-P925 HydrophobicContact CB-CG 4.12Å; F494-P925 HydrophobicContact CD2-CG 3.99Å; F494-P925 HydrophobicContact CE2-CG 4.22Å; F494-P925 HydrophobicContact CG-CG 4.34Å; Y508-P925 HydrophobicContact CD1-CB 4.03Å; Y508-P925 HydrophobicContact CE1-CB 4.1Å; Y508-P925 HydrophobicContact CE1-CG 4.26Å; Y508-P925 HydrophobicContact CG-CB 4.3Å; T901-P925 PolarHBondContact OG1-O 2.84Å
926	M	98.3	Very high	96.8	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	92.8	168.6	-178.9	-177.5	64.5	0	0	107.5	A930 L941 T943 A946 L947 V949 V959 F987	M926-A930 HydrophobicContact CG-CB 4.13Å; M926-A930 HydrophobicContact SD-CB 3.74Å; M926-L941 HydrophobicContact SD-CD2 4.39Å; M926-T943 HydrophobicContact CE-CG2 3.76Å; M926-T943 HydrophobicContact CG-CG2 3.83Å; M926-T943 HydrophobicContact SD-CG2 4.13Å; M926-A946 WeakPolarHBondContact O-CA 3.48Å; M926-L947 WeakPolarHBondContact CB-O 3.5Å; M926-L947 HydrophobicContact CE-CB 4.11Å; M926-L947 PolarHBondContact N-O 2.66Å; M926-L947 PolarHBondContact O-N 3.22Å; M926-V949 HydrophobicContact CB-CB 3.96Å; M926-V949 HydrophobicContact CB-CG1 3.64Å; M926-V949 HydrophobicContact CG-CG1 4.43Å; M926-V949 HydrophobicContact SD-CB 4.26Å; M926-V949 HydrophobicContact SD-CG2 4.36Å; M926-V959 HydrophobicContact CE-CB 4.4Å; M926-V959 HydrophobicContact CE-CG1 3.58Å; M926-V959 HydrophobicContact CE-CG2 3.8Å; M926-V959 HydrophobicContact SD-CG2 4.37Å; M926-F987 HydrophobicContact CE-CE1 4.26Å
927	S	97.3	Very high	96.7	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	-81.9	-23.2	-179.5	42	0	0	0	0	113.5	R519 D902 N904 G905	R519-S927 PolarHBondContact NH2-O 3.45Å; D902-S927 PolarHBondContact OD1-N 3.04Å; D902-S927 PolarHBondContact OD2-OG 3.35Å; N904-S927 WeakPolarHBondContact CA-OG 3.36Å; N904-S927 PolarHBondContact N-OG 2.83Å; G905-S927 PolarHBondContact N-OG 2.82Å; G905-S927 VanDerWaalsContact N-OG 3.13Å
928	S	97.9	Very high	96.7	Very high	6 Å²	6	15.8 Å²	15.8	4%	0.042	9%	0.088	C	C	.	.	S	Bend	trans	-148.5	-29.8	180	68	0	0	0	0	114.5	D902 G905 H942 T943	D902-S928 VanDerWaalsContact CG-N 3.3Å; D902-S928 PolarHBondContact OD1-N 3.41Å; D902-S928 WeakPolarHBondContact OD2-CB 3.19Å; D902-S928 PolarHBondContact OD2-N 2.81Å; D902-S928 PolarHBondContact OD2-OG 2.92Å; G905-S928 VanDerWaalsContact CA-OG 3.29Å; G905-S928 WeakPolarHBondContact CA-OG 3.35Å; S928-H942 CarbonylContact O-C 3.46Å; S928-H942 WeakPolarHBondContact O-CA 3.29Å; S928-T943 VanDerWaalsContact C-CG2 3.46Å; S928-T943 WeakPolarHBondContact O-CG2 3.17Å; S928-T943 PolarHBondContact O-N 3.44Å
929	Q	98.5	Very high	96.7	Very high	8 Å²	8	13.7 Å²	13.7	4%	0.037	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.9	153.8	-179.8	61.5	-174	43.6	0	0	115.1	D902 I908 T940 L941 H942 P1009	D902-Q929 HydrophobicContact CB-CG 4.01Å; D902-Q929 PolarHBondContact N-O 3.46Å; D902-Q929 PolarHBondContact OD1-N 2.84Å; I908-Q929 HydrophobicContact CD1-CG 3.9Å; Q929-T940 HydrophobicContact CB-CG2 4.36Å; Q929-L941 VanDerWaalsContact CA-O 3.26Å; Q929-L941 WeakPolarHBondContact CA-O 3.36Å; Q929-H942 PolarHBondContact OE1-CE1 2.9Å; Q929-H942 PolarHBondContact OE1-ND1 3.05Å; Q929-P1009 VanDerWaalsContact NE2-CG 3.31Å
930	A	98.8	Very high	96.8	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	153.6	166.5	0	0	0	0	0	110.6	Y900 T901 M926 L941 V949	Y900-A930 CarbonylContact O-C 3.55Å; Y900-A930 WeakPolarHBondContact O-CA 3.41Å; Y900-A930 WeakPolarHBondContact O-CB 3.29Å; T901-A930 HydrophobicContact CG2-CB 4.23Å; M926-A930 HydrophobicContact CG-CB 4.13Å; M926-A930 HydrophobicContact SD-CB 3.74Å; A930-L941 PolarHBondContact N-O 3.34Å; A930-L941 PolarHBondContact O-N 2.86Å; A930-V949 HydrophobicContact CB-CG1 4.07Å; A930-V949 HydrophobicContact CB-CG2 3.95Å
931	Y	98.6	Very high	96.8	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	159.6	177.2	61	-96	0	0	0	114	Y900 I908 R938 L939 T940 S1007	Y900-Y931 VanDerWaalsContact CB-CE2 3.45Å; Y900-Y931 AromaticContact CD1-CE2 3.93Å; Y900-Y931 HydrophobicContact CD1-CE2 3.93Å; Y900-Y931 AromaticContact CD1-CZ 3.96Å; Y900-Y931 AromaticContact CD2-CD2 3.5Å; Y900-Y931 HydrophobicContact CD2-CD2 3.5Å; Y900-Y931 VanDerWaalsContact CD2-CD2 3.5Å; Y900-Y931 AromaticContact CD2-CE2 3.17Å; Y900-Y931 HydrophobicContact CD2-CE2 3.17Å; Y900-Y931 HydrophobicContact CD2-CG 4.48Å; Y900-Y931 AromaticContact CD2-CZ 3.97Å; Y900-Y931 HydrophobicContact CE1-CE2 4.48Å; Y900-Y931 HydrophobicContact CE2-CD2 4.33Å; Y900-Y931 AromaticContact CE2-CE2 3.86Å; Y900-Y931 HydrophobicContact CE2-CE2 3.86Å; Y900-Y931 AromaticContact CG-CD2 3.84Å; Y900-Y931 HydrophobicContact CG-CD2 3.84Å; Y900-Y931 HydrophobicContact CG-CE1 4.32Å; Y900-Y931 AromaticContact CG-CE2 3.22Å; Y900-Y931 HydrophobicContact CG-CE2 3.22Å; Y900-Y931 AromaticContact CG-CZ 3.5Å; Y900-Y931 PolarHBondContact N-O 2.68Å; Y900-Y931 PolarHBondContact O-N 3.05Å; I908-Y931 HydrophobicContact CD1-CE1 4.26Å; I908-Y931 HydrophobicContact CG1-CE1 4.29Å; I908-Y931 HydrophobicContact CG2-CE1 3.88Å; I908-Y931 WeakPolarHBondContact CG2-OH 3.48Å; Y931-R938 HydrophobicContact CD2-CG 3.88Å; Y931-R938 HydrophobicContact CG-CG 4.21Å; Y931-L939 VanDerWaalsContact CA-O 3.29Å; Y931-L939 WeakPolarHBondContact CA-O 3.36Å; Y931-L939 WeakPolarHBondContact CB-O 3.47Å; Y931-T940 HydrophobicContact CD1-CG2 4.35Å; Y931-S1007 WeakPolarHBondContact OH-CB 3.36Å; Y931-S1007 PolarHBondContact OH-OG 3.14Å
932	I	97.9	Very high	96.9	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.005	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	150.3	167.2	54.2	173.4	0	0	0	108.6	T891 I893 N895 F899 R938 L939 L957	T891-I932 HydrophobicContact CG2-CD1 4.32Å; I893-I932 HydrophobicContact CB-CD1 4.28Å; I893-I932 HydrophobicContact CD1-CD1 4.48Å; I893-I932 HydrophobicContact CD1-CG1 4.37Å; I893-I932 HydrophobicContact CG2-CD1 4.47Å; I893-I932 HydrophobicContact CG2-CG1 4.43Å; N895-I932 HydrophobicContact CB-CB 4Å; N895-I932 HydrophobicContact CB-CG2 4.3Å; N895-I932 WeakPolarHBondContact ND2-CG2 3.33Å; F899-I932 HydrophobicContact CB-CG2 3.87Å; I932-R938 WeakPolarHBondContact O-CA 3.25Å; I932-L939 HydrophobicContact CG1-CB 4.4Å; I932-L939 PolarHBondContact N-O 3.04Å; I932-L939 PolarHBondContact O-N 2.94Å; I932-L957 HydrophobicContact CD1-CG 4.38Å; I932-L957 HydrophobicContact CG1-CD1 4.11Å; I932-L957 HydrophobicContact CG1-CG 4.19Å; I932-L957 HydrophobicContact CG2-CD1 4.39Å; I932-L957 HydrophobicContact CG2-CD2 3.81Å; I932-L957 HydrophobicContact CG2-CG 3.86Å
933	Q	95.4	Very high	96.9	Very high	10 Å²	10	11.4 Å²	11.4	5%	0.047	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	155.6	179.8	72.4	-171.4	30.2	0	0	111.3	N895 Y900 H937 R938 R994 D1002	N895-Q933 WeakPolarHBondContact CA-O 3.47Å; N895-Q933 WeakPolarHBondContact CB-O 3.48Å; Y900-Q933 HydrophobicContact CE2-CG 3.97Å; Q933-H937 CarbonylContact C-O 3.16Å; Q933-H937 VanDerWaalsContact CA-O 3.24Å; Q933-H937 WeakPolarHBondContact CA-O 3.43Å; Q933-R938 HydrophobicContact CB-CB 3.93Å; Q933-R938 HydrophobicContact CB-CG 4.07Å; Q933-R994 VanDerWaalsContact CD-NH1 3.31Å; Q933-D1002 PolarHBondContact NE2-OD1 3.34Å
934	D	92.4	Very high	96.8	Very high	20 Å²	20	11.9 Å²	11.9	11%	0.107	7%	0.066	C	C	.	.			trans	-127.8	-159.1	165.2	63.2	26.2	0	0	0	110	I893 Q894 H936 H937 R994	I893-D934 WeakPolarHBondContact CA-OD2 3.24Å; I893-D934 HydrophobicContact CG2-CB 3.95Å; Q894-D934 HydrophobicContact CB-CB 4.26Å; Q894-D934 PolarHBondContact N-OD2 2.88Å; D934-H936 PolarHBondContact O-N 2.7Å; D934-H936 WeakPolarHBondContact OD1-CA 3.37Å; D934-H936 PolarHBondContact OD1-N 2.9Å; D934-H937 PolarHBondContact N-O 2.69Å; D934-H937 PolarHBondContact OD1-N 3.35Å; D934-R994 WeakPolarHBondContact O-CD 3.36Å; D934-R994 PolarHBondContact O-NH1 3.17Å
935	S	88.9	Confident	96.8	Very high	72 Å²	72	11.7 Å²	11.7	50%	0.503	7%	0.066	S	C	.	.	S	Bend	trans	-70	-15.1	179.6	55.2	0	0	0	0	114.6
936	H	90.7	Very high	96.8	Very high	100 Å²	100	11.6 Å²	11.6	46%	0.463	7%	0.065	S	C	.	.	S	Bend	trans	-118.6	-39.4	-172.2	-63.3	-57.9	0	0	0	112.9	D934 R993 R994	D934-H936 PolarHBondContact O-N 2.7Å; D934-H936 WeakPolarHBondContact OD1-CA 3.37Å; D934-H936 PolarHBondContact OD1-N 2.9Å; H936-R993 WeakPolarHBondContact O-CA 3.49Å; H936-R994 PolarHBondContact O-N 3.18Å
937	H	93.9	Very high	96.8	Very high	11 Å²	11	11.5 Å²	11.5	5%	0.051	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	148.3	-172.1	-62.2	96	0	0	0	112.1	D790 I893 Q933 D934 L991 E992	D790-H937 IonicContact OD2-CD2 3.05Å; D790-H937 IonicContact OD2-CE1 3.9Å; D790-H937 IonicContact OD2-NE2 3.84Å; D790-H937 PolarHBondContact OD2-NE2 3.43Å; I893-H937 HydrophobicContact CD1-CB 4.33Å; I893-H937 HydrophobicContact CG1-CB 4.4Å; Q933-H937 CarbonylContact C-O 3.16Å; Q933-H937 VanDerWaalsContact CA-O 3.24Å; Q933-H937 WeakPolarHBondContact CA-O 3.43Å; D934-H937 PolarHBondContact N-O 2.69Å; D934-H937 PolarHBondContact OD1-N 3.35Å; H937-L991 HydrophobicContact CB-CD1 4.2Å; H937-E992 CarbonylContact C-O 3.58Å; H937-E992 VanDerWaalsContact CA-O 3.29Å; H937-E992 WeakPolarHBondContact CA-O 3.24Å
938	R	96.1	Very high	96.8	Very high	1 Å²	1	11.6 Å²	11.6	0%	0.004	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	130.6	163.8	179.4	-177.7	-73.1	169.8	4.2	107.9	Y931 I932 Q933 E992 F1008 D1084 F1087	Y931-R938 HydrophobicContact CD2-CG 3.88Å; Y931-R938 HydrophobicContact CG-CG 4.21Å; I932-R938 WeakPolarHBondContact O-CA 3.25Å; Q933-R938 HydrophobicContact CB-CB 3.93Å; Q933-R938 HydrophobicContact CB-CG 4.07Å; R938-E992 PolarHBondContact N-O 3.38Å; R938-E992 PolarHBondContact O-N 3Å; R938-F1008 PolarHBondContact NH1-O 2.97Å; R938-D1084 IonicContact CZ-OD2 3.43Å; R938-D1084 IonicContact NH1-OD2 2.74Å; R938-D1084 IonicContact NH2-OD2 3.98Å; R938-D1084 PolarHBondContact NH2-OD2 3.19Å; R938-D1084 VanDerWaalsContact NH2-OD2 3.07Å; R938-F1087 HydrophobicContact CB-CE1 3.79Å; R938-F1087 HydrophobicContact CB-CZ 4.15Å
939	L	98.2	Very high	96.9	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	113.3	168.5	-179	69.5	0	0	0	109	V796 L889 T891 I893 Y931 I932 L991	V796-L939 HydrophobicContact CG1-CD2 3.98Å; V796-L939 HydrophobicContact CG2-CD2 4.3Å; L889-L939 HydrophobicContact CD1-CD2 4.45Å; T891-L939 HydrophobicContact CG2-CD2 3.56Å; I893-L939 HydrophobicContact CD1-CB 3.58Å; Y931-L939 VanDerWaalsContact CA-O 3.29Å; Y931-L939 WeakPolarHBondContact CA-O 3.36Å; Y931-L939 WeakPolarHBondContact CB-O 3.47Å; I932-L939 HydrophobicContact CG1-CB 4.4Å; I932-L939 PolarHBondContact N-O 3.04Å; I932-L939 PolarHBondContact O-N 2.94Å; L939-L991 HydrophobicContact CD1-CB 4.35Å; L939-L991 HydrophobicContact CD1-CD1 4.5Å
940	T	98.8	Very high	96.9	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	128.3	178	-52.4	0	0	0	0	110.8	Q929 Y931 H942 L989 L990	Q929-T940 HydrophobicContact CB-CG2 4.36Å; Y931-T940 HydrophobicContact CD1-CG2 4.35Å; T940-H942 WeakPolarHBondContact CG2-NE2 3.3Å; T940-L989 WeakPolarHBondContact O-CA 3.27Å; T940-L990 PolarHBondContact N-O 3.08Å; T940-L990 PolarHBondContact O-N 2.85Å
941	L	98.8	Very high	96.9	Very high	2 Å²	2	11 Å²	11	1%	0.01	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	105.9	169	178	67.2	0	0	0	108.4	M887 L889 M926 Q929 A930 V959 F987 L989	M887-L941 HydrophobicContact CE-CD1 4.19Å; M887-L941 HydrophobicContact CE-CD2 3.9Å; L889-L941 HydrophobicContact CD1-CD1 4.46Å; L889-L941 HydrophobicContact CD1-CD2 4.37Å; M926-L941 HydrophobicContact SD-CD2 4.39Å; Q929-L941 VanDerWaalsContact CA-O 3.26Å; Q929-L941 WeakPolarHBondContact CA-O 3.36Å; A930-L941 PolarHBondContact N-O 3.34Å; A930-L941 PolarHBondContact O-N 2.86Å; L941-V959 HydrophobicContact CD2-CG2 3.51Å; L941-F987 HydrophobicContact CD1-CB 3.76Å; L941-F987 HydrophobicContact CD1-CD1 3.81Å; L941-F987 HydrophobicContact CD1-CG 3.96Å; L941-F987 HydrophobicContact CD2-CD1 4.47Å; L941-F987 HydrophobicContact CG-CD1 4.17Å; L941-L989 HydrophobicContact CB-CD2 4.23Å; L941-L989 HydrophobicContact CD1-CD2 3.54Å; L941-L989 HydrophobicContact CD1-CG 4.32Å; L941-L989 HydrophobicContact CG-CD2 4.48Å
942	H	98.9	Very high	96.8	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	146.7	169.4	-64	-84.9	0	0	0	110.1	S928 Q929 T940 F987 R988 S1013 L1020	S928-H942 CarbonylContact O-C 3.46Å; S928-H942 WeakPolarHBondContact O-CA 3.29Å; Q929-H942 PolarHBondContact OE1-CE1 2.9Å; Q929-H942 PolarHBondContact OE1-ND1 3.05Å; T940-H942 WeakPolarHBondContact CG2-NE2 3.3Å; H942-F987 CarbonylContact O-C 3.47Å; H942-F987 WeakPolarHBondContact O-CA 3.41Å; H942-F987 VanDerWaalsContact O-CB 3.27Å; H942-F987 WeakPolarHBondContact O-CB 3.34Å; H942-F987 WeakPolarHBondContact O-CD1 3.39Å; H942-R988 HydrophobicContact CB-CB 4.18Å; H942-R988 PolarHBondContact N-O 2.57Å; H942-R988 PolarHBondContact O-N 3.46Å; H942-S1013 PolarHBondContact CE1-O 3.46Å; H942-S1013 PolarHBondContact CE1-OG 2.65Å; H942-S1013 PolarHBondContact NE2-OG 3.16Å; H942-S1013 VanDerWaalsContact NE2-OG 3.1Å; H942-L1020 HydrophobicContact CB-CD2 3.83Å
943	T	98.6	Very high	96.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	143.6	-178.9	-175.4	0	0	0	0	111.3	M926 S928 Q945 F987	M926-T943 HydrophobicContact CE-CG2 3.76Å; M926-T943 HydrophobicContact CG-CG2 3.83Å; M926-T943 HydrophobicContact SD-CG2 4.13Å; S928-T943 VanDerWaalsContact C-CG2 3.46Å; S928-T943 WeakPolarHBondContact O-CG2 3.17Å; S928-T943 PolarHBondContact O-N 3.44Å; T943-Q945 VanDerWaalsContact C-N 3.33Å; T943-Q945 WeakPolarHBondContact CB-O 3.41Å; T943-Q945 WeakPolarHBondContact CG2-O 3.4Å; T943-Q945 PolarHBondContact OG1-N 3.39Å; T943-Q945 PolarHBondContact OG1-NE2 2.84Å; T943-Q945 PolarHBondContact OG1-O 3.47Å; T943-F987 WeakPolarHBondContact OG1-CE1 3.44Å
944	A	97.8	Very high	96.9	Very high	11 Å²	11	17.6 Å²	17.6	9%	0.091	10%	0.102	C	C	.	.	S	Bend	trans	-93	7.3	174	0	0	0	0	0	113.1	R519 R986 L1020	R519-A944 VanDerWaalsContact CB-O 3.23Å; R519-A944 WeakPolarHBondContact CB-O 3.38Å; R519-A944 WeakPolarHBondContact CG-O 3.27Å; A944-R986 HydrophobicContact CB-CB 3.92Å; A944-R986 PolarHBondContact N-O 2.89Å; A944-L1020 HydrophobicContact CB-CD1 3.99Å; A944-L1020 HydrophobicContact CB-CD2 4.32Å; A944-L1020 HydrophobicContact CB-CG 3.95Å
945	Q	97.8	Very high	97.1	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	-151.3	149.5	-179.5	60.7	-74.5	-40.5	0	0	110	T943 L947 R986	T943-Q945 VanDerWaalsContact C-N 3.33Å; T943-Q945 WeakPolarHBondContact CB-O 3.41Å; T943-Q945 WeakPolarHBondContact CG2-O 3.4Å; T943-Q945 PolarHBondContact OG1-N 3.39Å; T943-Q945 PolarHBondContact OG1-NE2 2.84Å; T943-Q945 PolarHBondContact OG1-O 3.47Å; Q945-L947 HydrophobicContact CG-CD1 4.07Å; Q945-L947 HydrophobicContact CG-CD2 4.4Å; Q945-L947 HydrophobicContact CG-CG 4.06Å; Q945-R986 PolarHBondContact NE2-O 3.48Å
946	A	98.4	Very high	97.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.078	C	C	.	.			trans	-69.7	133.7	174	0	0	0	0	0	111.3	N257 K515 M926	N257-A946 HydrophobicContact CB-CB 3.65Å; K515-A946 HydrophobicContact CD-CB 4.25Å; K515-A946 VanDerWaalsContact CD-O 3.31Å; K515-A946 WeakPolarHBondContact CD-O 3.47Å; M926-A946 WeakPolarHBondContact O-CA 3.48Å
947	L	98.8	Very high	97.9	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	166.8	178.1	-64.7	172.3	0	0	0	110.7	Y508 T509 P512 M926 Q945 V959 M961 F987	Y508-L947 CarbonylContact O-C 3.6Å; Y508-L947 WeakPolarHBondContact O-CA 3.3Å; T509-L947 HydrophobicContact CG2-CD2 3.87Å; P512-L947 HydrophobicContact CB-CD2 4.01Å; M926-L947 WeakPolarHBondContact CB-O 3.5Å; M926-L947 HydrophobicContact CE-CB 4.11Å; M926-L947 PolarHBondContact N-O 2.66Å; M926-L947 PolarHBondContact O-N 3.22Å; Q945-L947 HydrophobicContact CG-CD1 4.07Å; Q945-L947 HydrophobicContact CG-CD2 4.4Å; Q945-L947 HydrophobicContact CG-CG 4.06Å; L947-V959 HydrophobicContact CB-CG1 3.61Å; L947-V959 HydrophobicContact CD1-CG1 3.66Å; L947-V959 HydrophobicContact CG-CG1 4.27Å; L947-M961 HydrophobicContact CD1-CE 4.02Å; L947-F987 HydrophobicContact CD1-CE1 3.83Å; L947-F987 HydrophobicContact CD1-CZ 3.61Å
948	G	98.8	Very high	98.1	Very high	1 Å²	1	9.1 Å²	9.1	1%	0.01	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	131.2	171.1	0	0	0	0	0	111.7	T509 V959 I960	T509-G948 PolarHBondContact OG1-N 3.25Å; G948-V959 WeakPolarHBondContact O-CA 3.41Å; G948-I960 PolarHBondContact O-N 2.93Å
949	V	98.8	Very high	98.3	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	153.4	-178.8	70.7	0	0	0	0	112.7	T901 F923 Y924 M926 A930 L957 E958 V959	T901-V949 HydrophobicContact CG2-CG1 3.47Å; T901-V949 VanDerWaalsContact CG2-CG1 3.47Å; F923-V949 WeakPolarHBondContact CA-O 3.26Å; Y924-V949 PolarHBondContact N-O 3.13Å; Y924-V949 PolarHBondContact O-N 3.17Å; M926-V949 HydrophobicContact CB-CB 3.96Å; M926-V949 HydrophobicContact CB-CG1 3.64Å; M926-V949 HydrophobicContact CG-CG1 4.43Å; M926-V949 HydrophobicContact SD-CB 4.26Å; M926-V949 HydrophobicContact SD-CG2 4.36Å; A930-V949 HydrophobicContact CB-CG1 4.07Å; A930-V949 HydrophobicContact CB-CG2 3.95Å; V949-L957 HydrophobicContact CG2-CD2 4.36Å; V949-E958 CarbonylContact C-O 3.48Å; V949-E958 VanDerWaalsContact CA-O 3.25Å; V949-E958 WeakPolarHBondContact CA-O 3.25Å; V949-E958 WeakPolarHBondContact CG2-O 3.48Å; V949-V959 HydrophobicContact CB-CG2 4.19Å; V949-V959 HydrophobicContact CG2-CG2 3.75Å
950	S	98.6	Very high	98.3	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	165.4	168.4	-164.9	0	0	0	0	112.1	N922 L952 E958	N922-S950 WeakPolarHBondContact O-CB 3.46Å; N922-S950 PolarHBondContact O-OG 2.88Å; S950-L952 WeakPolarHBondContact OG-CD2 3.46Å; S950-E958 PolarHBondContact N-O 3.33Å; S950-E958 PolarHBondContact O-N 3.38Å
951	S	98.1	Very high	98.3	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.007	6%	0.055	C	C	.	.			trans	-119.3	91.2	163.1	172.1	0	0	0	0	107.7	N895 D953 Q956	N895-S951 PolarHBondContact ND2-OG 2.64Å; S951-D953 PolarHBondContact OG-O 2.91Å; S951-Q956 WeakPolarHBondContact CA-O 3.48Å; S951-Q956 WeakPolarHBondContact CB-O 3.49Å; S951-Q956 PolarHBondContact OG-O 3.16Å
952	L	96.6	Very high	98.3	Very high	14 Å²	14	9.3 Å²	9.3	7%	0.073	6%	0.055	C	C	.	.			trans	-77.6	-22.5	-173	-64.2	178.6	0	0	0	113.9	Y803 F913 L919 N922 F923 S950	Y803-L952 WeakPolarHBondContact OH-CD1 3.41Å; F913-L952 HydrophobicContact CD2-CD2 4.35Å; F913-L952 HydrophobicContact CE2-CD2 3.97Å; L919-L952 HydrophobicContact CD1-CD1 4.41Å; L919-L952 HydrophobicContact CG-CD1 4.49Å; L919-L952 HydrophobicContact CG-CD2 4.31Å; N922-L952 HydrophobicContact CB-CD2 4.46Å; F923-L952 HydrophobicContact CE2-CD1 4.43Å; F923-L952 HydrophobicContact CE2-CD2 4.23Å; S950-L952 WeakPolarHBondContact OG-CD2 3.46Å
953	D	97.1	Very high	98.3	Very high	89 Å²	89	9.3 Å²	9.3	48%	0.476	6%	0.055	S	C	.	.	S	Bend	trans	-141.6	163	169.9	-57.1	-73.2	0	0	0	109.1	S951 G955 Q956	S951-D953 PolarHBondContact OG-O 2.91Å; D953-G955 PolarHBondContact O-N 2.8Å; D953-Q956 HydrophobicContact CB-CG 4.18Å; D953-Q956 WeakPolarHBondContact O-CB 3.48Å; D953-Q956 PolarHBondContact O-N 2.76Å; D953-Q956 VanDerWaalsContact O-N 3.13Å; D953-Q956 PolarHBondContact OD2-NE2 3.23Å
954	S	97.9	Very high	98.3	Very high	48 Å²	48	11 Å²	11	34%	0.336	6%	0.061	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	139.3	172.7	-172.9	0	0	0	0	111	N895 G896 Q956	N895-S954 PolarHBondContact N-OG 3.02Å; G896-S954 PolarHBondContact N-OG 2.9Å; G896-S954 VanDerWaalsContact N-OG 3.09Å; G896-S954 WeakPolarHBondContact O-CA 3.48Å; G896-S954 WeakPolarHBondContact O-CB 3.16Å; S954-Q956 VanDerWaalsContact C-N 3.29Å
955	G	98	Very high	98.3	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.01	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	5.2	-176.7	0	0	0	0	0	114.2	T891 I893 N895 D953	T891-G955 WeakPolarHBondContact CB-O 3.2Å; T891-G955 PolarHBondContact N-O 3.08Å; T891-G955 WeakPolarHBondContact OG1-CA 3.44Å; T891-G955 PolarHBondContact OG1-O 3.25Å; I893-G955 WeakPolarHBondContact O-CA 3.26Å; I893-G955 PolarHBondContact O-N 3.21Å; N895-G955 WeakPolarHBondContact OD1-CA 3.42Å; N895-G955 PolarHBondContact OD1-N 2.81Å; D953-G955 PolarHBondContact O-N 2.8Å
956	Q	98	Very high	98.3	Very high	22 Å²	22	12.8 Å²	12.8	10%	0.103	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	144.1	-176.1	-58.8	-173.5	16.6	0	0	114.1	L889 V890 S951 D953 S954	L889-Q956 VanDerWaalsContact O-CA 3.28Å; L889-Q956 WeakPolarHBondContact O-CA 3.03Å; V890-Q956 HydrophobicContact CG2-CG 4.39Å; S951-Q956 WeakPolarHBondContact CA-O 3.48Å; S951-Q956 WeakPolarHBondContact CB-O 3.49Å; S951-Q956 PolarHBondContact OG-O 3.16Å; D953-Q956 HydrophobicContact CB-CG 4.18Å; D953-Q956 WeakPolarHBondContact O-CB 3.48Å; D953-Q956 PolarHBondContact O-N 2.76Å; D953-Q956 VanDerWaalsContact O-N 3.13Å; D953-Q956 PolarHBondContact OD2-NE2 3.23Å; S954-Q956 VanDerWaalsContact C-N 3.29Å
957	L	98.4	Very high	98.2	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.005	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	127.2	158.8	-78	173.8	0	0	0	108.3	R888 L889 I932 V949	R888-L957 CarbonylContact C-O 3.56Å; R888-L957 WeakPolarHBondContact CA-O 3.4Å; L889-L957 HydrophobicContact CB-CB 4.47Å; L889-L957 PolarHBondContact N-O 2.7Å; L889-L957 PolarHBondContact O-N 2.87Å; I932-L957 HydrophobicContact CD1-CG 4.38Å; I932-L957 HydrophobicContact CG1-CD1 4.11Å; I932-L957 HydrophobicContact CG1-CG 4.19Å; I932-L957 HydrophobicContact CG2-CD1 4.39Å; I932-L957 HydrophobicContact CG2-CD2 3.81Å; I932-L957 HydrophobicContact CG2-CG 3.86Å; V949-L957 HydrophobicContact CG2-CD2 4.36Å
958	E	98.6	Very high	98.1	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	128.5	179.8	-177.7	166.1	172.2	0	0	110.8	Y803 S886 M887 R888 V949 S950	Y803-E958 WeakPolarHBondContact CE2-OE1 3.46Å; Y803-E958 PolarHBondContact OH-OE1 3.29Å; S886-E958 WeakPolarHBondContact CB-OE1 3.23Å; S886-E958 PolarHBondContact OG-OE1 3.46Å; M887-E958 CarbonylContact O-C 3.48Å; M887-E958 WeakPolarHBondContact O-CA 3.18Å; R888-E958 HydrophobicContact CB-CB 4.33Å; R888-E958 HydrophobicContact CB-CG 4.27Å; R888-E958 HydrophobicContact CG-CB 4.3Å; R888-E958 IonicContact CZ-OE2 3.89Å; R888-E958 IonicContact NE-OE2 3.75Å; R888-E958 PolarHBondContact NE-OE2 3.2Å; R888-E958 IonicContact NH2-OE1 3.8Å; R888-E958 IonicContact NH2-OE2 3.94Å; R888-E958 PolarHBondContact NH2-OE2 3.1Å; V949-E958 CarbonylContact C-O 3.48Å; V949-E958 VanDerWaalsContact CA-O 3.25Å; V949-E958 WeakPolarHBondContact CA-O 3.25Å; V949-E958 WeakPolarHBondContact CG2-O 3.48Å; S950-E958 PolarHBondContact N-O 3.33Å; S950-E958 PolarHBondContact O-N 3.38Å
959	V	98.7	Very high	98.1	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.006	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	128.4	-178.3	-173.3	0	0	0	0	109.3	S886 M887 M926 L941 L947 G948 V949 M961	S886-V959 CarbonylContact C-O 3.59Å; S886-V959 WeakPolarHBondContact CA-O 3.26Å; S886-V959 VanDerWaalsContact CB-O 3.28Å; S886-V959 WeakPolarHBondContact CB-O 3.44Å; M887-V959 PolarHBondContact N-O 3.2Å; M887-V959 PolarHBondContact O-N 3.13Å; M926-V959 HydrophobicContact CE-CB 4.4Å; M926-V959 HydrophobicContact CE-CG1 3.58Å; M926-V959 HydrophobicContact CE-CG2 3.8Å; M926-V959 HydrophobicContact SD-CG2 4.37Å; L941-V959 HydrophobicContact CD2-CG2 3.51Å; L947-V959 HydrophobicContact CB-CG1 3.61Å; L947-V959 HydrophobicContact CD1-CG1 3.66Å; L947-V959 HydrophobicContact CG-CG1 4.27Å; G948-V959 WeakPolarHBondContact O-CA 3.41Å; V949-V959 HydrophobicContact CB-CG2 4.19Å; V949-V959 HydrophobicContact CG2-CG2 3.75Å; V959-M961 HydrophobicContact CB-CE 3.41Å; V959-M961 VanDerWaalsContact CB-CE 3.41Å; V959-M961 HydrophobicContact CG1-CE 3.32Å; V959-M961 VanDerWaalsContact O-CE 3.3Å; V959-M961 WeakPolarHBondContact O-CE 3.42Å
960	I	98.7	Very high	97.9	Very high	6 Å²	6	20.5 Å²	20.5	3%	0.031	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	128.5	172.2	-47.6	-81.3	0	0	0	107.6	T509 Y803 F817 E884 F923 G948	T509-I960 HydrophobicContact CG2-CB 4Å; T509-I960 HydrophobicContact CG2-CG2 3.73Å; T509-I960 WeakPolarHBondContact CG2-O 3.19Å; Y803-I960 HydrophobicContact CD2-CD1 3.94Å; Y803-I960 HydrophobicContact CE2-CD1 3.84Å; F817-I960 HydrophobicContact CE1-CD1 4.3Å; F817-I960 HydrophobicContact CZ-CD1 4.11Å; E884-I960 HydrophobicContact CB-CG2 4.37Å; F923-I960 HydrophobicContact CD1-CG1 4.26Å; F923-I960 HydrophobicContact CE1-CD1 3.94Å; F923-I960 HydrophobicContact CE1-CG1 3.73Å; F923-I960 HydrophobicContact CZ-CD1 4.22Å; F923-I960 HydrophobicContact CZ-CG1 4.5Å; G948-I960 PolarHBondContact O-N 2.93Å
961	M	98.4	Very high	97.9	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-41.2	-176.4	-61.6	-70.1	104.7	0	0	113.2	P512 I873 V875 L885 M887 L947 V959 N985 F987	P512-M961 WeakPolarHBondContact CG-O 3.34Å; I873-M961 HydrophobicContact CB-SD 4.47Å; V875-M961 HydrophobicContact CG2-CB 3.96Å; L885-M961 PolarHBondContact O-N 3.23Å; M887-M961 HydrophobicContact CB-CE 3.83Å; M887-M961 HydrophobicContact CB-CG 4.11Å; M887-M961 HydrophobicContact CB-SD 4.03Å; M887-M961 HydrophobicContact CE-CE 4.32Å; L947-M961 HydrophobicContact CD1-CE 4.02Å; V959-M961 HydrophobicContact CB-CE 3.41Å; V959-M961 VanDerWaalsContact CB-CE 3.41Å; V959-M961 HydrophobicContact CG1-CE 3.32Å; V959-M961 VanDerWaalsContact O-CE 3.3Å; V959-M961 WeakPolarHBondContact O-CE 3.42Å; M961-N985 PolarHBondContact O-ND2 2.95Å; M961-N985 HydrophobicContact SD-CB 4.26Å; M961-F987 HydrophobicContact CE-CE1 4.45Å; M961-F987 HydrophobicContact CE-CE2 4.2Å; M961-F987 HydrophobicContact CE-CZ 3.61Å; M961-F987 HydrophobicContact SD-CE2 3.85Å; M961-F987 HydrophobicContact SD-CZ 3.77Å
962	D	98.7	Very high	97.8	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	159.7	174.6	-163.9	7.7	0	0	0	109.9	P512 V875 I877 E884 L885 N980	P512-D962 VanDerWaalsContact CD-OD1 3.23Å; P512-D962 WeakPolarHBondContact CD-OD1 3.25Å; P512-D962 HydrophobicContact CG-CB 3.97Å; P512-D962 WeakPolarHBondContact CG-OD1 3.4Å; V875-D962 HydrophobicContact CG1-CB 3.85Å; I877-D962 HydrophobicContact CD1-CB 3.73Å; I877-D962 HydrophobicContact CG1-CB 4.11Å; I877-D962 WeakPolarHBondContact CG1-OD2 3.19Å; E884-D962 WeakPolarHBondContact CA-O 3.49Å; L885-D962 PolarHBondContact N-O 2.75Å; L885-D962 PolarHBondContact O-N 3.48Å; D962-N980 VanDerWaalsContact CG-ND2 3.34Å; D962-N980 PolarHBondContact OD1-ND2 2.85Å; D962-N980 PolarHBondContact OD2-ND2 2.9Å; D962-N980 VanDerWaalsContact OD2-ND2 3.07Å
963	R	98.6	Very high	97.8	Very high	1 Å²	1	23.6 Å²	23.6	0%	0.004	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	132.4	-176.4	58.4	-161	-50	-100.8	-2.9	112.4	G506 S510 G813 L816 E884 L965 L977 N980	G506-R963 VanDerWaalsContact CA-CZ 3.49Å; G506-R963 WeakPolarHBondContact O-CD 3.36Å; G506-R963 PolarHBondContact O-NH1 3.11Å; S510-R963 PolarHBondContact OG-NH1 3.25Å; G813-R963 PolarHBondContact O-NH1 3Å; G813-R963 PolarHBondContact O-NH2 2.9Å; L816-R963 PolarHBondContact O-NH2 2.72Å; E884-R963 HydrophobicContact CB-CB 3.93Å; E884-R963 VanDerWaalsContact CD-NH2 3.33Å; E884-R963 HydrophobicContact CG-CB 3.73Å; E884-R963 IonicContact OE1-CZ 2.8Å; E884-R963 IonicContact OE1-NE 3.96Å; E884-R963 IonicContact OE1-NH2 3Å; E884-R963 PolarHBondContact OE1-NH2 2.75Å; E884-R963 IonicContact OE2-CZ 3.78Å; E884-R963 VanDerWaalsContact OE2-CZ 3.29Å; E884-R963 IonicContact OE2-NE 3.64Å; E884-R963 PolarHBondContact OE2-NE 2.74Å; E884-R963 IonicContact OE2-NH2 3.83Å; E884-R963 PolarHBondContact OE2-NH2 2.93Å; R963-L965 VanDerWaalsContact NH2-CD1 3.34Å; R963-L977 HydrophobicContact CG-CD1 4.01Å; R963-N980 PolarHBondContact O-ND2 2.84Å
964	R	98.6	Very high	97.8	Very high	36 Å²	36	22 Å²	22	14%	0.136	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	116.1	-177.1	-178.6	166.7	-178.3	81.2	-2.4	110.9	I877 R878 Q880 N882 K883 M966 K978 N980	I877-R964 HydrophobicContact CD1-CB 3.79Å; I877-R964 HydrophobicContact CG1-CB 4.34Å; I877-R964 WeakPolarHBondContact O-CD 3.34Å; R878-R964 PolarHBondContact O-NE 3.26Å; R878-R964 PolarHBondContact O-NH2 3.28Å; Q880-R964 WeakPolarHBondContact O-CD 3.36Å; Q880-R964 PolarHBondContact O-NE 2.79Å; N882-R964 CarbonylContact C-O 3.38Å; N882-R964 WeakPolarHBondContact CA-O 3.43Å; N882-R964 PolarHBondContact N-O 2.87Å; N882-R964 VanDerWaalsContact N-O 3.08Å; K883-R964 PolarHBondContact N-O 2.91Å; K883-R964 VanDerWaalsContact N-O 3.1Å; K883-R964 PolarHBondContact O-N 3.47Å; R964-M966 HydrophobicContact CG-CE 3.8Å; R964-K978 PolarHBondContact NH1-O 3.19Å; R964-K978 PolarHBondContact NH2-O 2.94Å; R964-N980 WeakPolarHBondContact CB-OD1 3.25Å; R964-N980 WeakPolarHBondContact CD-OD1 3.49Å; R964-N980 VanDerWaalsContact CG-OD1 3.23Å; R964-N980 WeakPolarHBondContact CG-OD1 3.48Å; R964-N980 PolarHBondContact NH1-OD1 3.05Å
965	L	98.4	Very high	97.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.132	C	C	.	.			trans	-135.1	128.9	-164.4	-62.8	166.6	0	0	0	110.8	G813 N882 E884 R963 G976 L977	G813-L965 VanDerWaalsContact O-CD1 3.31Å; G813-L965 WeakPolarHBondContact O-CD1 3.22Å; N882-L965 WeakPolarHBondContact OD1-CA 3.26Å; E884-L965 HydrophobicContact CG-CD2 4.46Å; R963-L965 VanDerWaalsContact NH2-CD1 3.34Å; L965-G976 CarbonylContact O-C 3.31Å; L965-G976 WeakPolarHBondContact O-CA 3.46Å; L965-L977 HydrophobicContact CB-CB 4.42Å; L965-L977 HydrophobicContact CD1-CD1 4.39Å; L965-L977 PolarHBondContact N-O 2.92Å; L965-L977 CarbonylContact O-C 3.21Å; L965-L977 PolarHBondContact O-N 2.85Å
966	M	97.4	Very high	97.6	Very high	48 Å²	48	22.2 Å²	22.2	24%	0.236	14%	0.135	C	C	.	.	S	Bend	trans	-88.8	-10.8	-168.3	-63.8	-57	154.9	0	0	114.7	Q880 T881 N882 R964 K978	Q880-M966 WeakPolarHBondContact O-CE 3.46Å; T881-M966 HydrophobicContact CG2-CE 4.25Å; T881-M966 HydrophobicContact CG2-CG 3.77Å; N882-M966 PolarHBondContact OD1-N 2.89Å; R964-M966 HydrophobicContact CG-CE 3.8Å; M966-K978 VanDerWaalsContact CA-CE 3.46Å; M966-K978 WeakPolarHBondContact O-CE 3.17Å; M966-K978 PolarHBondContact O-NZ 3.21Å; M966-K978 VanDerWaalsContact O-NZ 3.1Å; M966-K978 HydrophobicContact SD-CD 3.95Å; M966-K978 VanDerWaalsContact SD-CE 3.56Å; M966-K978 HydrophobicContact SD-CG 3.83Å
967	Q	96.9	Very high	97.6	Very high	36 Å²	36	21.2 Å²	21.2	17%	0.168	13%	0.131	C	C	.	.	S	Bend	trans	-123.5	158.5	-172.7	63.3	-78.3	-26	0	0	111.4	K811 S812 N882 G976	K811-Q967 HydrophobicContact CB-CG 3.76Å; K811-Q967 HydrophobicContact CD-CG 3.87Å; K811-Q967 HydrophobicContact CG-CG 4.39Å; S812-Q967 PolarHBondContact O-NE2 3.21Å; N882-Q967 PolarHBondContact ND2-OE1 2.96Å; N882-Q967 VanDerWaalsContact ND2-OE1 3.14Å; N882-Q967 PolarHBondContact OD1-NE2 3.37Å; N882-Q967 PolarHBondContact OD1-OE1 3.17Å; Q967-G976 WeakPolarHBondContact O-CA 3.29Å
968	D	97.4	Very high	97.6	Very high	37 Å²	37	26.4 Å²	26.4	20%	0.198	15%	0.153	C	C	.	.			trans	-75.7	152.5	165.6	-173.8	72.5	0	0	0	110.5	N970 G974 Q975	D968-N970 WeakPolarHBondContact OD2-CA 3.16Å; D968-N970 PolarHBondContact OD2-N 2.75Å; D968-G974 WeakPolarHBondContact OD1-CA 3.49Å; D968-G974 PolarHBondContact OD1-N 2.65Å; D968-Q975 PolarHBondContact OD1-N 2.94Å
969	D	97.3	Very high	97.5	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	16%	0.158	C	C	.	.			trans	-100.4	13.9	176.6	52.5	10.4	0	0	0	113.6	G813 A814 Y815 L816 R971	G813-D969 VanDerWaalsContact CA-OD2 3.29Å; G813-D969 WeakPolarHBondContact CA-OD2 3.4Å; A814-D969 PolarHBondContact N-OD2 3.35Å; A814-D969 VanDerWaalsContact N-OD2 3.11Å; Y815-D969 WeakPolarHBondContact CA-OD2 3.33Å; Y815-D969 WeakPolarHBondContact CB-OD2 3.19Å; Y815-D969 WeakPolarHBondContact CD2-OD1 3.15Å; Y815-D969 PolarHBondContact N-OD2 2.59Å; L816-D969 HydrophobicContact CB-CB 4.09Å; L816-D969 HydrophobicContact CD1-CB 3.94Å; L816-D969 HydrophobicContact CG-CB 3.9Å; L816-D969 PolarHBondContact N-OD2 2.91Å; D969-R971 PolarHBondContact O-NH1 3.11Å
970	N	96.3	Very high	97.5	Very high	89 Å²	89	27.9 Å²	27.9	48%	0.476	16%	0.161	S	C	.	.	S	Bend	trans	61	44.4	177.1	-51.2	-67.9	0	0	0	112.9	D968	D968-N970 WeakPolarHBondContact OD2-CA 3.16Å; D968-N970 PolarHBondContact OD2-N 2.75Å
971	R	97.1	Very high	97.5	Very high	32 Å²	32	29.5 Å²	29.5	12%	0.121	17%	0.168	C	C	.	.	S	Bend	trans	-112.9	12.4	171	-66	-56.9	-179.5	-72	-1.2	114.5	D498 H502 W504 Y815 D969	D498-R971 IonicContact OD1-CZ 3.44Å; D498-R971 IonicContact OD1-NE 3.48Å; D498-R971 IonicContact OD1-NH2 2.68Å; D498-R971 PolarHBondContact OD1-NH2 2.74Å; D498-R971 IonicContact OD2-CZ 3.37Å; D498-R971 IonicContact OD2-NE 3.65Å; D498-R971 PolarHBondContact OD2-NE 3.07Å; D498-R971 IonicContact OD2-NH2 3.62Å; D498-R971 PolarHBondContact OD2-NH2 3.33Å; H502-R971 PolarHBondContact ND1-NH2 3.26Å; W504-R971 HydrophobicContact CH2-CB 4.2Å; W504-R971 HydrophobicContact CH2-CG 3.86Å; W504-R971 HydrophobicContact CZ2-CG 3.76Å; Y815-R971 HydrophobicContact CD2-CB 3.64Å; Y815-R971 HydrophobicContact CD2-CG 4.22Å; Y815-R971 HydrophobicContact CE2-CB 3.8Å; Y815-R971 HydrophobicContact CG-CB 4.16Å; Y815-R971 HydrophobicContact CG-CG 4.39Å; D969-R971 PolarHBondContact O-NH1 3.11Å
972	G	95.9	Very high	97.4	Very high	47 Å²	47	33.9 Å²	33.9	49%	0.485	19%	0.187	S	C	.	.	S	Bend	trans	104.7	-15.9	170.7	0	0	0	0	0	114.7	G974	G972-G974 VanDerWaalsContact C-N 3.32Å; G972-G974 PolarHBondContact O-N 2.85Å
973	L	97.1	Very high	97.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.187	C	C	.	.			trans	-59.7	-41.3	177	175.3	56.8	0	0	0	112.2	T575 A576 K577 A814 Y815 Q975	T575-L973 VanDerWaalsContact O-CD1 3.31Å; T575-L973 WeakPolarHBondContact O-CD1 3.43Å; A576-L973 VanDerWaalsContact C-CD1 3.47Å; K577-L973 HydrophobicContact CB-CD1 4.29Å; K577-L973 WeakPolarHBondContact CE-O 3.47Å; K577-L973 HydrophobicContact CG-CD1 3.53Å; A814-L973 HydrophobicContact CB-CD2 3.49Å; A814-L973 VanDerWaalsContact CB-CD2 3.49Å; Y815-L973 HydrophobicContact CE2-CB 3.92Å; Y815-L973 HydrophobicContact CE2-CD2 4.47Å; L973-Q975 VanDerWaalsContact C-N 3.34Å; L973-Q975 HydrophobicContact CD1-CG 3.94Å; L973-Q975 HydrophobicContact CD2-CG 4.01Å; L973-Q975 HydrophobicContact CG-CG 3.66Å
974	G	97.1	Very high	97.3	Very high	56 Å²	56	35.1 Å²	35.1	58%	0.577	20%	0.198	S	C	*	.			trans	72.4	25.1	177.2	0	0	0	0	0	113.6	D968 G972	D968-G974 WeakPolarHBondContact OD1-CA 3.49Å; D968-G974 PolarHBondContact OD1-N 2.65Å; G972-G974 VanDerWaalsContact C-N 3.32Å; G972-G974 PolarHBondContact O-N 2.85Å
975	Q	97.1	Very high	97.3	Very high	46 Å²	46	33.4 Å²	33.4	22%	0.215	19%	0.191	C	C	.	.	S	Bend	trans	-155.1	158.2	172.5	59.8	166.5	-147.7	0	0	112.4	K577 D968 L973	K577-Q975 VanDerWaalsContact CA-OE1 3.25Å; K577-Q975 HydrophobicContact CG-CG 4.29Å; D968-Q975 PolarHBondContact OD1-N 2.94Å; L973-Q975 VanDerWaalsContact C-N 3.34Å; L973-Q975 HydrophobicContact CD1-CG 3.94Å; L973-Q975 HydrophobicContact CD2-CG 4.01Å; L973-Q975 HydrophobicContact CG-CG 3.66Å
976	G	95.9	Very high	97.3	Very high	7 Å²	7	36.1 Å²	36.1	7%	0.072	20%	0.201	C	C	.	.			trans	-87.3	174.3	167.2	0	0	0	0	0	113	L965 Q967 K978	L965-G976 CarbonylContact O-C 3.31Å; L965-G976 WeakPolarHBondContact O-CA 3.46Å; Q967-G976 WeakPolarHBondContact O-CA 3.29Å; G976-K978 PolarHBondContact O-N 2.88Å
977	L	97.6	Very high	97.4	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	19%	0.19	C	C	.	.			trans	-88	91.8	175.5	-64.1	-179.1	0	0	0	111	S510 R511 A814 R963 L965	S510-L977 WeakPolarHBondContact OG-CD1 3.31Å; R511-L977 HydrophobicContact CG-CD2 4.24Å; A814-L977 HydrophobicContact CB-CD1 4.46Å; A814-L977 HydrophobicContact CB-CD2 3.84Å; A814-L977 HydrophobicContact CB-CG 4.12Å; R963-L977 HydrophobicContact CG-CD1 4.01Å; L965-L977 HydrophobicContact CB-CB 4.42Å; L965-L977 HydrophobicContact CD1-CD1 4.39Å; L965-L977 PolarHBondContact N-O 2.92Å; L965-L977 CarbonylContact O-C 3.21Å; L965-L977 PolarHBondContact O-N 2.85Å
978	K	97.3	Very high	97.4	Very high	110 Å²	110	32.7 Å²	32.7	48%	0.478	18%	0.184	S	C	.	.			trans	-116.4	2.7	-176.5	-61.6	-178.9	-175.4	173.5	0	114.1	R964 M966 G976	R964-K978 PolarHBondContact NH1-O 3.19Å; R964-K978 PolarHBondContact NH2-O 2.94Å; M966-K978 VanDerWaalsContact CA-CE 3.46Å; M966-K978 WeakPolarHBondContact O-CE 3.17Å; M966-K978 PolarHBondContact O-NZ 3.21Å; M966-K978 VanDerWaalsContact O-NZ 3.1Å; M966-K978 HydrophobicContact SD-CD 3.95Å; M966-K978 VanDerWaalsContact SD-CE 3.56Å; M966-K978 HydrophobicContact SD-CG 3.83Å; G976-K978 PolarHBondContact O-N 2.88Å
979	D	97.8	Very high	97.5	Very high	18 Å²	18	31 Å²	31	10%	0.096	18%	0.175	C	C	.	.			trans	-110.1	26.6	-172.2	58	-9.1	0	0	0	113	R511 E578 K981	R511-D979 IonicContact CZ-OD1 3.8Å; R511-D979 IonicContact CZ-OD2 3.37Å; R511-D979 VanDerWaalsContact CZ-OD2 3.26Å; R511-D979 IonicContact NH1-OD1 3.67Å; R511-D979 IonicContact NH1-OD2 3.79Å; R511-D979 PolarHBondContact NH1-OD2 2.97Å; R511-D979 IonicContact NH2-OD1 2.86Å; R511-D979 IonicContact NH2-OD2 3.07Å; R511-D979 PolarHBondContact NH2-OD2 2.79Å; E578-D979 WeakPolarHBondContact CB-OD2 3.42Å; E578-D979 HydrophobicContact CG-CB 4.01Å; E578-D979 WeakPolarHBondContact CG-OD2 3.46Å; D979-K981 WeakPolarHBondContact O-CE 3.41Å
980	N	98.4	Very high	97.5	Very high	14 Å²	14	31.1 Å²	31.1	8%	0.075	18%	0.176	C	C	.	.			trans	-47.8	141.7	173.8	-56.2	84.4	0	0	0	111.3	R878 D962 R963 R964	R878-N980 VanDerWaalsContact CD-O 3.23Å; R878-N980 WeakPolarHBondContact CD-O 3.46Å; R878-N980 HydrophobicContact CG-CB 4.02Å; R878-N980 VanDerWaalsContact CG-O 3.28Å; R878-N980 WeakPolarHBondContact CG-O 3.15Å; D962-N980 VanDerWaalsContact CG-ND2 3.34Å; D962-N980 PolarHBondContact OD1-ND2 2.85Å; D962-N980 PolarHBondContact OD2-ND2 2.9Å; D962-N980 VanDerWaalsContact OD2-ND2 3.07Å; R963-N980 PolarHBondContact O-ND2 2.84Å; R964-N980 WeakPolarHBondContact CB-OD1 3.25Å; R964-N980 WeakPolarHBondContact CD-OD1 3.49Å; R964-N980 VanDerWaalsContact CG-OD1 3.23Å; R964-N980 WeakPolarHBondContact CG-OD1 3.48Å; R964-N980 PolarHBondContact NH1-OD1 3.05Å
981	K	97.4	Very high	97.5	Very high	40 Å²	40	27.3 Å²	27.3	17%	0.174	16%	0.155	C	C	.	.			trans	-117.9	156.5	176.4	-53.9	-59.6	-179.6	168.5	0	109.1	F513 D633 D979 T983	F513-K981 HydrophobicContact CB-CB 4.07Å; F513-K981 HydrophobicContact CD2-CB 3.87Å; F513-K981 HydrophobicContact CG-CB 3.92Å; F513-K981 HydrophobicContact CG-CG 4.33Å; D633-K981 HydrophobicContact CB-CD 3.79Å; D633-K981 HydrophobicContact CB-CG 4.13Å; D633-K981 WeakPolarHBondContact OD2-CE 3.43Å; D633-K981 IonicContact OD2-NZ 2.62Å; D633-K981 PolarHBondContact OD2-NZ 2.91Å; D979-K981 WeakPolarHBondContact O-CE 3.41Å; K981-T983 PolarHBondContact O-N 2.87Å; K981-T983 VanDerWaalsContact O-N 3.1Å; K981-T983 PolarHBondContact O-OG1 2.86Å
982	K	97.6	Very high	97.4	Very high	91 Å²	91	26.3 Å²	26.3	40%	0.396	15%	0.152	S	C	.	.			trans	-61.2	116.7	170.2	-169.3	178.8	-173.8	-174.7	0	108.1	L635 L874 V875 D876	L635-K982 HydrophobicContact CD1-CB 4.4Å; L635-K982 HydrophobicContact CD1-CD 3.99Å; L635-K982 HydrophobicContact CD1-CG 4.03Å; L874-K982 HydrophobicContact CD1-CD 4.31Å; L874-K982 HydrophobicContact CD1-CG 3.9Å; L874-K982 HydrophobicContact CG-CG 4.32Å; V875-K982 WeakPolarHBondContact O-CA 3.34Å; D876-K982 HydrophobicContact CB-CG 4.36Å
983	T	97.9	Very high	97.2	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	126.6	-166.6	-59.9	0	0	0	0	110.4	P512 F513 L874 V875 K981	P512-T983 HydrophobicContact CB-CG2 4.22Å; P512-T983 HydrophobicContact CG-CG2 4.17Å; F513-T983 HydrophobicContact CB-CG2 4.4Å; F513-T983 WeakPolarHBondContact CB-OG1 3.36Å; L874-T983 CarbonylContact C-O 3.59Å; L874-T983 WeakPolarHBondContact CA-O 3.44Å; V875-T983 PolarHBondContact N-O 3.11Å; V875-T983 PolarHBondContact O-N 3.25Å; K981-T983 PolarHBondContact O-N 2.87Å; K981-T983 VanDerWaalsContact O-N 3.1Å; K981-T983 PolarHBondContact O-OG1 2.86Å
984	A	97.3	Very high	96.8	Very high	27 Å²	27	28.6 Å²	28.6	22%	0.223	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	97.6	174.1	0	0	0	0	0	109.5	L635 L874	L635-A984 HydrophobicContact CD2-CB 4.16Å; L874-A984 HydrophobicContact CD1-CB 4Å
985	N	98.3	Very high	95.9	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	126	173.9	-64.7	-69.1	0	0	0	109.3	T872 I873 M961 F987	T872-N985 CarbonylContact C-O 3.45Å; T872-N985 WeakPolarHBondContact CA-O 3.12Å; I873-N985 HydrophobicContact CB-CB 4.49Å; I873-N985 PolarHBondContact N-O 3.1Å; I873-N985 PolarHBondContact O-N 3.45Å; M961-N985 PolarHBondContact O-ND2 2.95Å; M961-N985 HydrophobicContact SD-CB 4.26Å; N985-F987 HydrophobicContact CB-CE2 3.58Å; N985-F987 HydrophobicContact CB-CZ 3.86Å
986	R	98.4	Very high	94.2	Very high	57 Å²	57	31 Å²	31	22%	0.215	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	139.1	-176	-59.7	178.7	62.1	-170.6	-0.8	111.4	T872 A944 Q945 L1020 E1023	T872-R986 HydrophobicContact CG2-CG 4.32Å; A944-R986 HydrophobicContact CB-CB 3.92Å; A944-R986 PolarHBondContact N-O 2.89Å; Q945-R986 PolarHBondContact NE2-O 3.48Å; R986-L1020 HydrophobicContact CB-CD1 4.33Å; R986-E1023 IonicContact CZ-OE1 3.17Å; R986-E1023 IonicContact CZ-OE2 2.7Å; R986-E1023 IonicContact NH1-OE1 3.37Å; R986-E1023 PolarHBondContact NH1-OE1 3.21Å; R986-E1023 IonicContact NH1-OE2 3.14Å; R986-E1023 PolarHBondContact NH1-OE2 3.2Å; R986-E1023 IonicContact NH2-OE1 3.96Å; R986-E1023 PolarHBondContact NH2-OE1 3.41Å
987	F	98.7	Very high	92.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	160.3	-174.9	-53.1	-83.6	0	0	0	111.6	V871 I873 M887 M926 L941 H942 T943 L947 M961 N985	V871-F987 HydrophobicContact CB-CB 4.22Å; V871-F987 PolarHBondContact N-O 2.93Å; V871-F987 PolarHBondContact O-N 3.28Å; I873-F987 HydrophobicContact CG1-CD2 4.47Å; I873-F987 HydrophobicContact CG1-CE2 4.25Å; M887-F987 HydrophobicContact CE-CE2 4.47Å; M926-F987 HydrophobicContact CE-CE1 4.26Å; L941-F987 HydrophobicContact CD1-CB 3.76Å; L941-F987 HydrophobicContact CD1-CD1 3.81Å; L941-F987 HydrophobicContact CD1-CG 3.96Å; L941-F987 HydrophobicContact CD2-CD1 4.47Å; L941-F987 HydrophobicContact CG-CD1 4.17Å; H942-F987 CarbonylContact O-C 3.47Å; H942-F987 WeakPolarHBondContact O-CA 3.41Å; H942-F987 VanDerWaalsContact O-CB 3.27Å; H942-F987 WeakPolarHBondContact O-CB 3.34Å; H942-F987 WeakPolarHBondContact O-CD1 3.39Å; T943-F987 WeakPolarHBondContact OG1-CE1 3.44Å; L947-F987 HydrophobicContact CD1-CE1 3.83Å; L947-F987 HydrophobicContact CD1-CZ 3.61Å; M961-F987 HydrophobicContact CE-CE1 4.45Å; M961-F987 HydrophobicContact CE-CE2 4.2Å; M961-F987 HydrophobicContact CE-CZ 3.61Å; M961-F987 HydrophobicContact SD-CE2 3.85Å; M961-F987 HydrophobicContact SD-CZ 3.77Å; N985-F987 HydrophobicContact CB-CE2 3.58Å; N985-F987 HydrophobicContact CB-CZ 3.86Å
988	R	98.4	Very high	90.1	Very high	11 Å²	11	41.1 Å²	41.1	4%	0.042	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	129.7	163	-72.5	-81.2	175.1	144.2	-1.4	109.1	D865 S868 V869 D870 H942 T1016 L1020	D865-R988 IonicContact OD1-CZ 3.1Å; D865-R988 VanDerWaalsContact OD1-CZ 3.29Å; D865-R988 IonicContact OD1-NH1 3.33Å; D865-R988 PolarHBondContact OD1-NH1 3.43Å; D865-R988 IonicContact OD1-NH2 3.78Å; D865-R988 PolarHBondContact OD1-NH2 2.84Å; S868-R988 PolarHBondContact OG-NH1 3.43Å; S868-R988 VanDerWaalsContact OG-NH1 3.13Å; V869-R988 CarbonylContact O-C 3.58Å; V869-R988 VanDerWaalsContact O-CA 3.28Å; V869-R988 WeakPolarHBondContact O-CA 3.12Å; D870-R988 IonicContact OD2-CZ 3.7Å; D870-R988 IonicContact OD2-NE 2.79Å; D870-R988 PolarHBondContact OD2-NE 3.31Å; D870-R988 IonicContact OD2-NH2 2.74Å; D870-R988 PolarHBondContact OD2-NH2 3.38Å; H942-R988 HydrophobicContact CB-CB 4.18Å; H942-R988 PolarHBondContact N-O 2.57Å; H942-R988 PolarHBondContact O-N 3.46Å; R988-T1016 HydrophobicContact CB-CG2 3.58Å; R988-T1016 HydrophobicContact CG-CG2 4.09Å; R988-L1020 HydrophobicContact CB-CD2 4.41Å; R988-L1020 HydrophobicContact CG-CB 4.16Å; R988-L1020 HydrophobicContact CG-CD1 4.14Å; R988-L1020 HydrophobicContact CG-CD2 4.25Å; R988-L1020 HydrophobicContact CG-CG 4.42Å
989	L	98.3	Very high	87.6	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	127.6	169.6	-65.6	169.5	0	0	0	109.2	L782 S868 V869 V871 L889 T940 L941	L782-L989 HydrophobicContact CD2-CD1 3.97Å; S868-L989 WeakPolarHBondContact CA-O 3.42Å; V869-L989 HydrophobicContact CB-CB 4.16Å; V869-L989 PolarHBondContact N-O 3.17Å; V869-L989 PolarHBondContact O-N 2.78Å; V871-L989 HydrophobicContact CG2-CD1 4Å; V871-L989 HydrophobicContact CG2-CG 4.26Å; L889-L989 HydrophobicContact CD1-CD2 3.58Å; T940-L989 WeakPolarHBondContact O-CA 3.27Å; L941-L989 HydrophobicContact CB-CD2 4.23Å; L941-L989 HydrophobicContact CD1-CD2 3.54Å; L941-L989 HydrophobicContact CD1-CG 4.32Å; L941-L989 HydrophobicContact CG-CD2 4.48Å
990	L	97.8	Very high	85.1	Confident	3 Å²	3	50.8 Å²	50.8	2%	0.016	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	117.4	177	-179.4	67.2	0	0	0	109.1	T940 E992 V1012	T940-L990 PolarHBondContact N-O 3.08Å; T940-L990 PolarHBondContact O-N 2.85Å; L990-E992 HydrophobicContact CD1-CG 4.28Å; L990-E992 HydrophobicContact CD2-CG 3.86Å; L990-E992 HydrophobicContact CG-CG 3.67Å; L990-V1012 HydrophobicContact CD1-CG1 3.89Å; L990-V1012 HydrophobicContact CD2-CB 4.4Å; L990-V1012 HydrophobicContact CD2-CG1 4.09Å
991	L	96.4	Very high	82.7	Confident	10 Å²	10	54.8 Å²	54.8	5%	0.052	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	116	174.8	177.3	65.8	0	0	0	109.1	I785 R787 V794 H937 L939	I785-L991 HydrophobicContact CB-CD2 4.05Å; I785-L991 HydrophobicContact CG2-CB 4.38Å; I785-L991 HydrophobicContact CG2-CD2 3.83Å; R787-L991 WeakPolarHBondContact CD-O 3.49Å; V794-L991 HydrophobicContact CB-CD1 4.35Å; V794-L991 HydrophobicContact CB-CD2 3.78Å; V794-L991 HydrophobicContact CG1-CD1 4.17Å; V794-L991 HydrophobicContact CG1-CD2 4.43Å; V794-L991 HydrophobicContact CG2-CD1 4.19Å; V794-L991 HydrophobicContact CG2-CD2 3.75Å; H937-L991 HydrophobicContact CB-CD1 4.2Å; L939-L991 HydrophobicContact CD1-CB 4.35Å; L939-L991 HydrophobicContact CD1-CD1 4.5Å
992	E	94.4	Very high	80.6	Confident	10 Å²	10	55.4 Å²	55.4	5%	0.047	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	145.4	-177.5	-51.8	-172.8	89.5	0	0	111	H937 R938 L990 S1010 F1087	H937-E992 CarbonylContact C-O 3.58Å; H937-E992 VanDerWaalsContact CA-O 3.29Å; H937-E992 WeakPolarHBondContact CA-O 3.24Å; R938-E992 PolarHBondContact N-O 3.38Å; R938-E992 PolarHBondContact O-N 3Å; L990-E992 HydrophobicContact CD1-CG 4.28Å; L990-E992 HydrophobicContact CD2-CG 3.86Å; L990-E992 HydrophobicContact CG-CG 3.67Å; E992-S1010 VanDerWaalsContact CD-OG 3.22Å; E992-S1010 VanDerWaalsContact OE1-CB 3.23Å; E992-S1010 WeakPolarHBondContact OE1-CB 3.39Å; E992-S1010 PolarHBondContact OE1-OG 2.61Å; E992-S1010 PolarHBondContact OE2-OG 2.63Å; E992-F1087 HydrophobicContact CB-CD1 3.46Å; E992-F1087 VanDerWaalsContact CB-CD1 3.46Å; E992-F1087 HydrophobicContact CB-CE1 3.78Å; E992-F1087 HydrophobicContact CB-CG 4.39Å; E992-F1087 HydrophobicContact CG-CD1 4.46Å
993	R	91.6	Very high	78.5	Confident	71 Å²	71	56.8 Å²	56.8	27%	0.268	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	132.7	176.9	-178.6	171	173.8	-147.9	9.1	109.5	H936 F1087 E1088	H936-R993 WeakPolarHBondContact O-CA 3.49Å; R993-F1087 WeakPolarHBondContact O-CA 3.34Å; R993-E1088 VanDerWaalsContact CD-OE2 3.27Å; R993-E1088 WeakPolarHBondContact CD-OE2 3.49Å; R993-E1088 IonicContact CZ-OE1 3.88Å; R993-E1088 VanDerWaalsContact CZ-OE1 3.25Å; R993-E1088 IonicContact CZ-OE2 3.68Å; R993-E1088 IonicContact NE-OE1 3.64Å; R993-E1088 PolarHBondContact NE-OE1 2.78Å; R993-E1088 IonicContact NE-OE2 2.78Å; R993-E1088 IonicContact NH1-OE1 3.15Å; R993-E1088 PolarHBondContact NH1-OE1 2.95Å; R993-E1088 IonicContact NH1-OE2 2.71Å; R993-E1088 PolarHBondContact NH1-OE2 3.38Å; R993-E1088 IonicContact NH2-OE1 3.74Å; R993-E1088 PolarHBondContact O-N 2.97Å
994	R	88.4	Confident	77.1	Confident	25 Å²	25	58.3 Å²	58.3	9%	0.094	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-91.2	140.9	-179.3	-61.1	-177.5	77.6	172	4.4	110.7	Q933 D934 H936 D1002 G1086 F1087	Q933-R994 VanDerWaalsContact CD-NH1 3.31Å; D934-R994 WeakPolarHBondContact O-CD 3.36Å; D934-R994 PolarHBondContact O-NH1 3.17Å; H936-R994 PolarHBondContact O-N 3.18Å; R994-D1002 IonicContact NH1-OD1 2.6Å; R994-D1002 PolarHBondContact NH1-OD1 3.48Å; R994-D1002 IonicContact NH2-OD1 3.38Å; R994-G1086 CarbonylContact C-O 3.56Å; R994-G1086 WeakPolarHBondContact CA-O 3.38Å; R994-F1087 HydrophobicContact CG-CD1 4.1Å; R994-F1087 HydrophobicContact CG-CE1 3.55Å; R994-F1087 HydrophobicContact CG-CZ 4.14Å
995	S	79.9	Confident	76.1	Confident	43 Å²	43	59.1 Å²	59.1	30%	0.301	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-71.2	138.4	174.9	178.8	0	0	0	0	111.3	D997 N998 G1086	S995-D997 PolarHBondContact O-N 3Å; S995-N998 PolarHBondContact O-N 3.23Å; S995-G1086 PolarHBondContact N-O 3.11Å
996	I	60.7	Low	75.5	Confident	108 Å²	108	59.9 Å²	59.9	55%	0.554	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-24.2	-175.2	-59.4	172.3	0	0	0	112.2	N998	I996-N998 VanDerWaalsContact C-N 3.33Å; I996-N998 PolarHBondContact O-N 3.29Å
997	D	56.3	Low	75.2	Confident	148 Å²	148	57.8 Å²	57.8	79%	0.791	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-15.1	-177.2	-67.9	-30.7	0	0	0	113.6	S995 K999	S995-D997 PolarHBondContact O-N 3Å; D997-K999 VanDerWaalsContact C-N 3.34Å; D997-K999 PolarHBondContact O-N 2.89Å
998	N	51.8	Low	75	Confident	74 Å²	74	58.3 Å²	58.3	40%	0.396	31%	0.309	S	S	.	.			trans	-94.3	54.2	176.6	-85.4	-3.1	0	0	0	111.8	S995 I996 M1000 G1086	S995-N998 PolarHBondContact O-N 3.23Å; I996-N998 VanDerWaalsContact C-N 3.33Å; I996-N998 PolarHBondContact O-N 3.29Å; N998-M1000 PolarHBondContact O-N 2.71Å; N998-M1000 VanDerWaalsContact O-N 3.12Å; N998-G1086 WeakPolarHBondContact ND2-CA 3.22Å
999	K	43.7	Very low	74.8	Confident	177 Å²	177	58.2 Å²	58.2	77%	0.77	31%	0.31	S	S	*	.			trans	-67.6	110.4	175.7	-81.7	-178.4	-179	178.2	0	111.4	D997	D997-K999 VanDerWaalsContact C-N 3.34Å; D997-K999 PolarHBondContact O-N 2.89Å
1000	M	44.9	Very low	74.6	Confident	154 Å²	154	58.3 Å²	58.3	76%	0.759	31%	0.311	S	S	*	.			trans	67	97.9	157.4	-66.9	-159	146.1	0	0	118.5	N998	N998-M1000 PolarHBondContact O-N 2.71Å; N998-M1000 VanDerWaalsContact O-N 3.12Å
1001	M	49.3	Very low	74.3	Confident	98 Å²	98	58.9 Å²	58.9	48%	0.483	31%	0.313	S	S	.	.			trans	-127.9	32.7	150	-93.9	-169.7	150.2	0	0	110.7	S1003 A1004	M1001-S1003 PolarHBondContact O-N 3.17Å; M1001-A1004 HydrophobicContact CB-CB 4.49Å; M1001-A1004 VanDerWaalsContact O-CB 3.28Å; M1001-A1004 WeakPolarHBondContact O-CB 2.89Å; M1001-A1004 PolarHBondContact O-N 3.1Å
1002	D	53.1	Low	74.2	Confident	54 Å²	54	59 Å²	59	29%	0.289	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	4.8	-178.1	-64	-46.5	0	0	0	113.6	Q933 R994	Q933-D1002 PolarHBondContact NE2-OD1 3.34Å; R994-D1002 IonicContact NH1-OD1 2.6Å; R994-D1002 PolarHBondContact NH1-OD1 3.48Å; R994-D1002 IonicContact NH2-OD1 3.38Å
1003	S	52.9	Low	74.2	Confident	120 Å²	120	58.6 Å²	58.6	84%	0.839	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	8.8	168.2	64.9	0	0	0	0	113.7	M1001	M1001-S1003 PolarHBondContact O-N 3.17Å
1004	A	68.6	Low	74.4	Confident	32 Å²	32	56.8 Å²	56.8	26%	0.264	31%	0.307	S	S	.	.			trans	-72.8	143.5	-178.6	0	0	0	0	0	112.1	M1001 T1006	M1001-A1004 HydrophobicContact CB-CB 4.49Å; M1001-A1004 VanDerWaalsContact O-CB 3.28Å; M1001-A1004 WeakPolarHBondContact O-CB 2.89Å; M1001-A1004 PolarHBondContact O-N 3.1Å; A1004-T1006 WeakPolarHBondContact CB-O 3.03Å; A1004-T1006 PolarHBondContact O-N 3.25Å
1005	T	76.6	Confident	74.7	Confident	44 Å²	44	57 Å²	57	27%	0.27	32%	0.315	S	S	.	.	S	Bend	trans	-73.7	-3.4	175.2	53.3	0	0	0	0	113.2	Q130	Q130-T1005 HydrophobicContact CG-CG2 3.65Å
1006	T	85.8	Confident	75.5	Confident	17 Å²	17	55 Å²	55	10%	0.104	30%	0.3	C	S	.	.			trans	-137.5	151	-179.4	58.4	0	0	0	0	110.6	A335 W336 A1004	A335-T1006 HydrophobicContact CB-CG2 3.55Å; A335-T1006 VanDerWaalsContact O-CG2 3.23Å; A335-T1006 WeakPolarHBondContact O-CG2 3.34Å; W336-T1006 HydrophobicContact CB-CG2 4.09Å; A1004-T1006 WeakPolarHBondContact CB-O 3.03Å; A1004-T1006 PolarHBondContact O-N 3.25Å
1007	S	91.5	Very high	77.2	Confident	12 Å²	12	50.9 Å²	50.9	8%	0.084	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-144.7	158.2	167.7	-170.2	0	0	0	0	110.2	I908 Y931	I908-S1007 WeakPolarHBondContact CB-O 3.48Å; Y931-S1007 WeakPolarHBondContact OH-CB 3.36Å; Y931-S1007 PolarHBondContact OH-OG 3.14Å
1008	F	94.1	Very high	79.1	Confident	11 Å²	11	44.9 Å²	44.9	5%	0.048	25%	0.251	C	S	.	.			trans	-129.7	147.3	-176.8	-55.6	-79.4	0	0	0	111.9	F119 A120 R124 W336 R938 A1082 D1084 M1142	F119-F1008 HydrophobicContact CD1-CE1 4.43Å; F119-F1008 HydrophobicContact CD1-CZ 4.2Å; F119-F1008 AromaticContact CE1-CE1 3.75Å; F119-F1008 HydrophobicContact CE1-CE1 3.75Å; F119-F1008 HydrophobicContact CE1-CE2 4.4Å; F119-F1008 AromaticContact CE1-CZ 3.62Å; F119-F1008 HydrophobicContact CE1-CZ 3.62Å; A120-F1008 HydrophobicContact CB-CD2 3.72Å; A120-F1008 HydrophobicContact CB-CE2 4.33Å; A120-F1008 HydrophobicContact CB-CG 4.41Å; R124-F1008 VanDerWaalsContact NH2-CZ 3.34Å; W336-F1008 HydrophobicContact CB-CE1 4.28Å; W336-F1008 HydrophobicContact CB-CZ 3.93Å; R938-F1008 PolarHBondContact NH1-O 2.97Å; F1008-A1082 HydrophobicContact CD1-CB 3.39Å; F1008-A1082 HydrophobicContact CE1-CB 3.65Å; F1008-A1082 HydrophobicContact CG-CB 4.08Å; F1008-D1084 HydrophobicContact CB-CB 4.21Å; F1008-D1084 VanDerWaalsContact O-CB 3.3Å; F1008-D1084 WeakPolarHBondContact O-CB 3.39Å; F1008-M1142 HydrophobicContact CD1-SD 4.18Å; F1008-M1142 HydrophobicContact CE1-CG 4.15Å; F1008-M1142 HydrophobicContact CE1-SD 3.96Å
1009	P	95.2	Very high	81.1	Confident	10 Å²	10	42 Å²	42	7%	0.065	24%	0.235	C	C	.	.			trans	-69.1	158.1	170.9	-16.8	33.3	0	0	0	111.5	I908 Q929 H1014 T1083 D1084	I908-P1009 HydrophobicContact CD1-CG 4.49Å; I908-P1009 HydrophobicContact CG1-CG 4.13Å; Q929-P1009 VanDerWaalsContact NE2-CG 3.31Å; P1009-H1014 VanDerWaalsContact CG-CE1 3.48Å; P1009-H1014 WeakPolarHBondContact CG-CE1 3.44Å; P1009-T1083 WeakPolarHBondContact O-CA 3.34Å; P1009-D1084 PolarHBondContact O-N 3.23Å
1010	S	93.4	Very high	83.7	Confident	4 Å²	4	33.8 Å²	33.8	3%	0.028	20%	0.2	C	C	.	.			trans	-75.7	169.2	167.5	78.5	0	0	0	0	110.9	E992 V1012 S1013 H1014	E992-S1010 VanDerWaalsContact CD-OG 3.22Å; E992-S1010 VanDerWaalsContact OE1-CB 3.23Å; E992-S1010 WeakPolarHBondContact OE1-CB 3.39Å; E992-S1010 PolarHBondContact OE1-OG 2.61Å; E992-S1010 PolarHBondContact OE2-OG 2.63Å; S1010-V1012 VanDerWaalsContact C-N 3.25Å; S1010-V1012 PolarHBondContact O-N 3.4Å; S1010-V1012 PolarHBondContact OG-N 3.45Å; S1010-S1013 PolarHBondContact O-N 3.09Å; S1010-S1013 WeakPolarHBondContact OG-CB 3.49Å; S1010-S1013 PolarHBondContact OG-N 3.49Å; S1010-H1014 PolarHBondContact O-CD2 3.16Å; S1010-H1014 VanDerWaalsContact O-CD2 3.28Å; S1010-H1014 PolarHBondContact O-N 3.39Å
1011	M	91.4	Very high	86.1	Confident	15 Å²	15	27.7 Å²	27.7	7%	0.074	17%	0.17	C	C	.	.	H	α-helix	trans	-58.7	-38.6	172	-73.3	-44.2	-62	0	0	112.4	V112 A1015 C1051 T1083	V112-M1011 HydrophobicContact CG2-CG 4.36Å; M1011-A1015 WeakPolarHBondContact O-CB 3.48Å; M1011-A1015 PolarHBondContact O-N 3.04Å; M1011-C1051 HydrophobicContact CE-CB 3.63Å; M1011-C1051 WeakPolarHBondContact CE-O 3.48Å; M1011-T1083 HydrophobicContact CB-CG2 4.42Å; M1011-T1083 HydrophobicContact CG-CG2 3.61Å; M1011-T1083 HydrophobicContact SD-CG2 3.47Å; M1011-T1083 WeakPolarHBondContact SD-CG2 3.37Å; M1011-T1083 PolarHBondContact SD-OG1 3.39Å
1012	V	93.5	Very high	88.3	Confident	13 Å²	13	24 Å²	24	8%	0.079	15%	0.152	C	C	.	.	H	α-helix	trans	-69.1	-38.5	179.9	-175.5	0	0	0	0	110	L867 L990 S1010 A1015 T1016 L1092 F1094	L867-V1012 HydrophobicContact CD1-CG1 4.18Å; L990-V1012 HydrophobicContact CD1-CG1 3.89Å; L990-V1012 HydrophobicContact CD2-CB 4.4Å; L990-V1012 HydrophobicContact CD2-CG1 4.09Å; S1010-V1012 VanDerWaalsContact C-N 3.25Å; S1010-V1012 PolarHBondContact O-N 3.4Å; S1010-V1012 PolarHBondContact OG-N 3.45Å; V1012-A1015 PolarHBondContact O-N 3.27Å; V1012-T1016 WeakPolarHBondContact O-CB 3.44Å; V1012-T1016 PolarHBondContact O-N 2.89Å; V1012-T1016 PolarHBondContact O-OG1 3.25Å; V1012-L1092 HydrophobicContact CG2-CD1 3.94Å; V1012-L1092 HydrophobicContact CG2-CD2 3.87Å; V1012-F1094 HydrophobicContact CG2-CE1 4.27Å; V1012-F1094 HydrophobicContact CG2-CZ 4.1Å
1013	S	95.9	Very high	90.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-64.8	-44.8	175.9	-174.1	0	0	0	0	111.9	H942 S1010 A1015 T1016 S1017	H942-S1013 PolarHBondContact CE1-O 3.46Å; H942-S1013 PolarHBondContact CE1-OG 2.65Å; H942-S1013 PolarHBondContact NE2-OG 3.16Å; H942-S1013 VanDerWaalsContact NE2-OG 3.1Å; S1010-S1013 PolarHBondContact O-N 3.09Å; S1010-S1013 WeakPolarHBondContact OG-CB 3.49Å; S1010-S1013 PolarHBondContact OG-N 3.49Å; S1013-A1015 PolarHBondContact O-N 3.26Å; S1013-T1016 PolarHBondContact O-N 3Å; S1013-S1017 PolarHBondContact O-N 3.48Å
1014	H	95.7	Very high	92.3	Very high	33 Å²	33	20.9 Å²	20.9	15%	0.153	12%	0.124	C	C	.	.	H	α-helix	trans	-57.7	-47.5	172.4	-76.1	-53.8	0	0	0	112.1	P1009 S1010 T1016 S1017 S1018 L1081 A1082	P1009-H1014 VanDerWaalsContact CG-CE1 3.48Å; P1009-H1014 WeakPolarHBondContact CG-CE1 3.44Å; S1010-H1014 PolarHBondContact O-CD2 3.16Å; S1010-H1014 VanDerWaalsContact O-CD2 3.28Å; S1010-H1014 PolarHBondContact O-N 3.39Å; H1014-T1016 VanDerWaalsContact C-N 3.32Å; H1014-T1016 PolarHBondContact O-N 3.33Å; H1014-S1017 PolarHBondContact O-N 3.35Å; H1014-S1018 PolarHBondContact O-N 3.13Å; H1014-L1081 HydrophobicContact CB-CD1 3.96Å; H1014-A1082 PolarHBondContact NE2-O 3.41Å
1015	A	94.7	Very high	93.7	Very high	31 Å²	31	20 Å²	20	26%	0.256	11%	0.114	S	C	.	.	H	α-helix	trans	-66	-34.5	178.6	0	0	0	0	0	112.5	V864 M1011 V1012 S1013 S1018 L1019	V864-A1015 HydrophobicContact CG1-CB 4.44Å; V864-A1015 HydrophobicContact CG2-CB 3.62Å; M1011-A1015 WeakPolarHBondContact O-CB 3.48Å; M1011-A1015 PolarHBondContact O-N 3.04Å; V1012-A1015 PolarHBondContact O-N 3.27Å; S1013-A1015 PolarHBondContact O-N 3.26Å; A1015-S1018 PolarHBondContact O-N 3.4Å; A1015-L1019 VanDerWaalsContact O-CB 3.31Å; A1015-L1019 WeakPolarHBondContact O-CB 3.38Å; A1015-L1019 PolarHBondContact O-N 3.07Å
1016	T	96.4	Very high	94.7	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-65.6	-44.4	175.4	-58.9	0	0	0	0	111.3	V864 R988 V1012 S1013 H1014 L1019 L1020	V864-T1016 WeakPolarHBondContact CG1-OG1 3.4Å; R988-T1016 HydrophobicContact CB-CG2 3.58Å; R988-T1016 HydrophobicContact CG-CG2 4.09Å; V1012-T1016 WeakPolarHBondContact O-CB 3.44Å; V1012-T1016 PolarHBondContact O-N 2.89Å; V1012-T1016 PolarHBondContact O-OG1 3.25Å; S1013-T1016 PolarHBondContact O-N 3Å; H1014-T1016 VanDerWaalsContact C-N 3.32Å; H1014-T1016 PolarHBondContact O-N 3.33Å; T1016-L1019 PolarHBondContact O-N 2.89Å; T1016-L1020 WeakPolarHBondContact O-CB 3.39Å; T1016-L1020 PolarHBondContact O-N 3.26Å
1017	S	96.9	Very high	95.2	Very high	22 Å²	22	17.9 Å²	17.9	15%	0.154	10%	0.103	C	C	.	.	H	α-helix	trans	-61.2	-44.3	175	-171.6	0	0	0	0	111.7	S1013 H1014 L1020 N1021	S1013-S1017 PolarHBondContact O-N 3.48Å; H1014-S1017 PolarHBondContact O-N 3.35Å; S1017-L1020 PolarHBondContact O-N 3.43Å; S1017-N1021 WeakPolarHBondContact O-CB 3.42Å; S1017-N1021 PolarHBondContact O-N 3.21Å; S1017-N1021 PolarHBondContact O-ND2 3.05Å
1018	S	95.6	Very high	95.5	Very high	22 Å²	22	17.6 Å²	17.6	15%	0.154	10%	0.101	C	C	.	.	H	α-helix	trans	-63.4	-43	176.9	-171.5	0	0	0	0	112.1	I657 H1014 A1015 L1020 N1021 H1022	I657-S1018 WeakPolarHBondContact CG2-OG 3.26Å; H1014-S1018 PolarHBondContact O-N 3.13Å; A1015-S1018 PolarHBondContact O-N 3.4Å; S1018-L1020 VanDerWaalsContact C-N 3.33Å; S1018-L1020 PolarHBondContact O-N 3.21Å; S1018-N1021 PolarHBondContact O-N 3.48Å; S1018-H1022 WeakPolarHBondContact O-CB 3.44Å; S1018-H1022 PolarHBondContact O-N 2.82Å
1019	L	94.2	Very high	95.5	Very high	12 Å²	12	17.1 Å²	17.1	6%	0.063	10%	0.099	C	C	.	.	H	α-helix	trans	-60.9	-40.7	177.1	-176.1	149	0	0	0	112.4	V864 D865 A1015 T1016	V864-L1019 HydrophobicContact CB-CD1 4Å; V864-L1019 HydrophobicContact CG1-CB 4.29Å; V864-L1019 HydrophobicContact CG1-CD1 3.89Å; D865-L1019 HydrophobicContact CB-CD1 4.14Å; A1015-L1019 VanDerWaalsContact O-CB 3.31Å; A1015-L1019 WeakPolarHBondContact O-CB 3.38Å; A1015-L1019 PolarHBondContact O-N 3.07Å; T1016-L1019 PolarHBondContact O-N 2.89Å
1020	L	97	Very high	95.3	Very high	5 Å²	5	18.7 Å²	18.7	3%	0.026	11%	0.106	C	C	.	.	H	α-helix	trans	-69.9	-44.1	179.6	177.8	59.2	0	0	0	112.4	H942 A944 R986 R988 T1016 S1017 S1018	H942-L1020 HydrophobicContact CB-CD2 3.83Å; A944-L1020 HydrophobicContact CB-CD1 3.99Å; A944-L1020 HydrophobicContact CB-CD2 4.32Å; A944-L1020 HydrophobicContact CB-CG 3.95Å; R986-L1020 HydrophobicContact CB-CD1 4.33Å; R988-L1020 HydrophobicContact CB-CD2 4.41Å; R988-L1020 HydrophobicContact CG-CB 4.16Å; R988-L1020 HydrophobicContact CG-CD1 4.14Å; R988-L1020 HydrophobicContact CG-CD2 4.25Å; R988-L1020 HydrophobicContact CG-CG 4.42Å; T1016-L1020 WeakPolarHBondContact O-CB 3.39Å; T1016-L1020 PolarHBondContact O-N 3.26Å; S1017-L1020 PolarHBondContact O-N 3.43Å; S1018-L1020 VanDerWaalsContact C-N 3.33Å; S1018-L1020 PolarHBondContact O-N 3.21Å
1021	N	96.1	Very high	94.9	Very high	26 Å²	26	22.8 Å²	22.8	14%	0.139	13%	0.133	C	C	.	.	H	α-helix	trans	-86.9	-20.5	-173.3	-71.4	-70.8	0	0	0	113.5	S523 S1017 S1018	S523-N1021 VanDerWaalsContact CB-O 3.23Å; S523-N1021 WeakPolarHBondContact CB-O 3.32Å; S523-N1021 PolarHBondContact OG-O 2.89Å; S1017-N1021 WeakPolarHBondContact O-CB 3.42Å; S1017-N1021 PolarHBondContact O-N 3.21Å; S1017-N1021 PolarHBondContact O-ND2 3.05Å; S1018-N1021 PolarHBondContact O-N 3.48Å
1022	H	96.4	Very high	94.3	Very high	22 Å²	22	25.4 Å²	25.4	10%	0.102	14%	0.144	C	C	.	.	S	Bend	trans	-123.2	83.8	-179.3	-58.7	-55.9	0	0	0	111.6	S523 P656 I657 R661 S1018	S523-H1022 WeakPolarHBondContact OG-CA 3.37Å; S523-H1022 PolarHBondContact OG-ND1 2.9Å; P656-H1022 HydrophobicContact CG-CB 3.94Å; I657-H1022 HydrophobicContact CG2-CB 3.51Å; R661-H1022 PolarHBondContact NH1-O 3.46Å; S1018-H1022 WeakPolarHBondContact O-CB 3.44Å; S1018-H1022 PolarHBondContact O-N 2.82Å
1023	E	93.4	Very high	93.3	Very high	81 Å²	81	37.3 Å²	37.3	38%	0.379	19%	0.188	S	C	.	.	P	Polyproline II helix	trans	-72.6	153.6	-177.4	-58.6	-161.1	106.6	0	0	113.9	P656 R986 L1025	P656-E1023 WeakPolarHBondContact CD-O 3.46Å; P656-E1023 VanDerWaalsContact CG-O 3.23Å; P656-E1023 WeakPolarHBondContact CG-O 3.28Å; R986-E1023 IonicContact CZ-OE1 3.17Å; R986-E1023 IonicContact CZ-OE2 2.7Å; R986-E1023 IonicContact NH1-OE1 3.37Å; R986-E1023 PolarHBondContact NH1-OE1 3.21Å; R986-E1023 IonicContact NH1-OE2 3.14Å; R986-E1023 PolarHBondContact NH1-OE2 3.2Å; R986-E1023 IonicContact NH2-OE1 3.96Å; R986-E1023 PolarHBondContact NH2-OE1 3.41Å; E1023-L1025 PolarHBondContact O-N 3.41Å
1024	V	96.3	Very high	92.4	Very high	26 Å²	26	49.2 Å²	49.2	16%	0.158	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-69.1	127.4	169.2	175.7	0	0	0	0	108.9	L653 F654 V665 L711	L653-V1024 HydrophobicContact CB-CG1 4.05Å; L653-V1024 HydrophobicContact CD2-CG1 4.33Å; F654-V1024 WeakPolarHBondContact O-CA 3.49Å; V665-V1024 HydrophobicContact CG2-CB 4.36Å; V665-V1024 HydrophobicContact CG2-CG1 4.1Å; L711-V1024 HydrophobicContact CD1-CB 4.24Å; L711-V1024 HydrophobicContact CD1-CG1 3.61Å; L711-V1024 HydrophobicContact CD1-CG2 3.51Å
1025	L	97	Very high	91.7	Very high	13 Å²	13	49.8 Å²	49.8	7%	0.068	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	127.7	175.8	-51.9	-176	0	0	0	110.2	I599 L653 F654 E1023 L1027	I599-L1025 HydrophobicContact CD1-CD1 3.82Å; I599-L1025 HydrophobicContact CG2-CD1 4.37Å; L653-L1025 WeakPolarHBondContact CA-O 3.36Å; F654-L1025 HydrophobicContact CB-CB 4.25Å; F654-L1025 HydrophobicContact CD1-CD1 4.05Å; F654-L1025 HydrophobicContact CD1-CG 4.35Å; F654-L1025 PolarHBondContact N-O 2.73Å; F654-L1025 PolarHBondContact O-N 3.08Å; F654-L1025 VanDerWaalsContact O-N 3.13Å; E1023-L1025 PolarHBondContact O-N 3.41Å; L1025-L1027 HydrophobicContact CB-CD2 4.35Å
1026	A	97.1	Very high	91.4	Very high	15 Å²	15	50.3 Å²	50.3	12%	0.124	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	119.8	174.5	0	0	0	0	0	110.1	D626 L651 L653 V667 P1028	D626-A1026 WeakPolarHBondContact CA-O 3.31Å; D626-A1026 VanDerWaalsContact CB-O 3.28Å; D626-A1026 WeakPolarHBondContact CB-O 3.5Å; D626-A1026 PolarHBondContact N-O 2.84Å; L651-A1026 HydrophobicContact CD1-CB 4.08Å; L653-A1026 HydrophobicContact CD2-CB 3.88Å; V667-A1026 HydrophobicContact CG1-CB 4.36Å; A1026-P1028 WeakPolarHBondContact O-CD 3.32Å
1027	L	97.5	Very high	91.1	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.016	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	86.5	-175.6	-50.4	177.1	0	0	0	109.5	I599 I600 A603 L623 E624 V652 L1025 V1029	I599-L1027 HydrophobicContact CG2-CD1 4.01Å; I599-L1027 HydrophobicContact CG2-CD2 4.43Å; I600-L1027 HydrophobicContact CG2-CD2 4.13Å; A603-L1027 HydrophobicContact CB-CD1 3.87Å; L623-L1027 HydrophobicContact CB-CB 4.34Å; L623-L1027 HydrophobicContact CD1-CB 4.21Å; L623-L1027 HydrophobicContact CD1-CD1 4.23Å; E624-L1027 WeakPolarHBondContact O-CA 3.26Å; V652-L1027 HydrophobicContact CB-CB 4.22Å; V652-L1027 PolarHBondContact N-O 3.25Å; V652-L1027 WeakPolarHBondContact O-CA 3.27Å; V652-L1027 WeakPolarHBondContact O-CB 3.46Å; V652-L1027 PolarHBondContact O-N 3.3Å; L1025-L1027 HydrophobicContact CB-CD2 4.35Å; L1027-V1029 PolarHBondContact O-N 2.9Å
1028	P	96.6	Very high	90.8	Very high	5 Å²	5	55.1 Å²	55.1	3%	0.032	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	135.1	177.5	-19.4	32.1	0	0	0	110.7	L623 E624 T639 I641 L651 A1026	L623-P1028 CarbonylContact C-O 3.54Å; L623-P1028 WeakPolarHBondContact CA-O 3.25Å; E624-P1028 PolarHBondContact N-O 3Å; T639-P1028 HydrophobicContact CG2-CG 4.46Å; I641-P1028 HydrophobicContact CD1-CB 4.41Å; I641-P1028 HydrophobicContact CD1-CG 3.87Å; I641-P1028 HydrophobicContact CG1-CB 4.38Å; I641-P1028 HydrophobicContact CG1-CG 3.89Å; L651-P1028 HydrophobicContact CD1-CG 4.23Å; A1026-P1028 WeakPolarHBondContact O-CD 3.32Å
1029	V	95.2	Very high	90.8	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.006	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-71.1	137.2	170.7	-179.6	0	0	0	0	108.5	F622 L623 R649 Y650 V652 L1027 I1036 L1039	F622-V1029 HydrophobicContact CD1-CG1 4.4Å; F622-V1029 HydrophobicContact CE1-CG1 3.82Å; F622-V1029 HydrophobicContact CE1-CG2 4.13Å; F622-V1029 HydrophobicContact CE2-CG1 3.97Å; F622-V1029 HydrophobicContact CZ-CG1 3.57Å; F622-V1029 HydrophobicContact CZ-CG2 4.49Å; L623-V1029 HydrophobicContact CD2-CB 4.21Å; L623-V1029 HydrophobicContact CD2-CG2 3.52Å; R649-V1029 PolarHBondContact NE-O 3.49Å; R649-V1029 PolarHBondContact NH2-O 2.71Å; Y650-V1029 VanDerWaalsContact CB-CG2 3.46Å; Y650-V1029 PolarHBondContact O-N 3.17Å; V652-V1029 HydrophobicContact CG2-CG2 4.37Å; L1027-V1029 PolarHBondContact O-N 2.9Å; V1029-I1036 HydrophobicContact CG1-CD1 3.7Å; V1029-I1036 HydrophobicContact CG1-CG1 4.28Å; V1029-I1036 HydrophobicContact CG1-CG2 4.11Å; V1029-L1039 HydrophobicContact CG2-CD1 3.77Å
1030	L	91.9	Very high	90.8	Very high	43 Å²	43	57.4 Å²	57.4	23%	0.225	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-75.8	146.9	176.4	-76	169.2	0	0	0	111.9	P621 F622 E624 R649 K1032 I1036	P621-L1030 HydrophobicContact CB-CD1 4.31Å; P621-L1030 HydrophobicContact CG-CD1 3.84Å; P621-L1030 VanDerWaalsContact O-CD1 3.3Å; P621-L1030 WeakPolarHBondContact O-CD1 3.21Å; F622-L1030 PolarHBondContact O-N 2.97Å; E624-L1030 HydrophobicContact CB-CD2 4.17Å; E624-L1030 HydrophobicContact CB-CG 4.27Å; R649-L1030 VanDerWaalsContact NH2-CA 3.27Å; L1030-K1032 PolarHBondContact O-N 2.98Å; L1030-I1036 WeakPolarHBondContact O-CD1 3.33Å
1031	P	84.3	Confident	90.8	Very high	90 Å²	90	59.5 Å²	59.5	58%	0.584	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-69.5	136.9	-175.6	4.4	11.2	0	0	0	109.3	R649	R649-P1031 VanDerWaalsContact NH2-CG 3.31Å
1032	K	79	Confident	90.8	Very high	70 Å²	70	59.2 Å²	59.2	30%	0.304	30%	0.295	S	S	.	.			trans	-121.6	133.9	175.8	-65.9	-70	-173.9	-179.3	0	110.8	E620 L1030 R1034 G1035 I1036	E620-K1032 IonicContact OE2-NZ 2.64Å; E620-K1032 PolarHBondContact OE2-NZ 3.35Å; L1030-K1032 PolarHBondContact O-N 2.98Å; K1032-R1034 PolarHBondContact O-N 2.92Å; K1032-R1034 VanDerWaalsContact O-N 3.17Å; K1032-G1035 PolarHBondContact O-N 3.48Å; K1032-G1035 VanDerWaalsContact O-N 3.08Å; K1032-I1036 HydrophobicContact CB-CD1 3.91Å; K1032-I1036 HydrophobicContact CG-CD1 3.86Å
1033	R	72.9	Confident	90.9	Very high	264 Å²	264	60.1 Å²	60.1	100%	0.996	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-27.4	178.8	-67.8	-174.5	-179.2	-178	0.7	113.9
1034	R	75.2	Confident	91	Very high	250 Å²	250	56.4 Å²	56.4	94%	0.943	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	12.6	-179.2	-64.1	-175.7	179.8	179.3	0.3	113.3	K1032	K1032-R1034 PolarHBondContact O-N 2.92Å; K1032-R1034 VanDerWaalsContact O-N 3.17Å
1035	G	82	Confident	90.9	Very high	45 Å²	45	56.4 Å²	56.4	46%	0.464	29%	0.288	S	S	.	.			trans	80.7	169.5	-172.2	0	0	0	0	0	113.1	K1032	K1032-G1035 PolarHBondContact O-N 3.48Å; K1032-G1035 VanDerWaalsContact O-N 3.08Å
1036	I	87.8	Confident	90.7	Very high	41 Å²	41	62.2 Å²	62.2	21%	0.21	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-97.1	126.5	178.7	-58	-57.7	0	0	0	108.7	F622 Y650 V1029 L1030 K1032 L1039	F622-I1036 HydrophobicContact CE2-CD1 4.49Å; F622-I1036 HydrophobicContact CE2-CG2 4.39Å; F622-I1036 HydrophobicContact CZ-CG2 3.94Å; Y650-I1036 HydrophobicContact CD2-CB 4.15Å; Y650-I1036 HydrophobicContact CD2-CG1 4.05Å; Y650-I1036 HydrophobicContact CD2-CG2 4.07Å; Y650-I1036 HydrophobicContact CE2-CB 3.91Å; Y650-I1036 HydrophobicContact CE2-CG1 4.12Å; Y650-I1036 HydrophobicContact CE2-CG2 4.14Å; Y650-I1036 HydrophobicContact CG-CG2 4.46Å; V1029-I1036 HydrophobicContact CG1-CD1 3.7Å; V1029-I1036 HydrophobicContact CG1-CG1 4.28Å; V1029-I1036 HydrophobicContact CG1-CG2 4.11Å; L1030-I1036 WeakPolarHBondContact O-CD1 3.33Å; K1032-I1036 HydrophobicContact CB-CD1 3.91Å; K1032-I1036 HydrophobicContact CG-CD1 3.86Å; I1036-L1039 HydrophobicContact CG2-CD1 4.23Å; I1036-L1039 HydrophobicContact CG2-CG 4.33Å
1037	P	89.8	Confident	90.3	Very high	41 Å²	41	63.6 Å²	63.6	27%	0.266	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-58.7	153.9	173.1	-23.3	33.8	0	0	0	111.8	M608 L1039	M608-P1037 HydrophobicContact CE-CB 3.7Å; M608-P1037 HydrophobicContact CE-CG 4.07Å; M608-P1037 HydrophobicContact SD-CB 4.18Å; P1037-L1039 WeakPolarHBondContact O-CD2 3.25Å; P1037-L1039 PolarHBondContact O-N 2.88Å
1038	P	91.3	Very high	89.8	Confident	82 Å²	82	68.3 Å²	68.3	53%	0.532	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-56.7	126.6	177.6	-25.3	34.5	0	0	0	112.3	K609	K609-P1038 HydrophobicContact CB-CB 4.17Å; K609-P1038 WeakPolarHBondContact CB-O 3.37Å; K609-P1038 HydrophobicContact CD-CB 4.08Å; K609-P1038 PolarHBondContact N-O 3.34Å; K609-P1038 VanDerWaalsContact N-O 3.1Å
1039	L	94.9	Very high	89.7	Confident	14 Å²	14	68.1 Å²	68.1	7%	0.073	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-103.3	158.6	176.2	-52.3	-176.3	0	0	0	109.9	V607 M608 F622 Y650 V718 V1029 I1036 P1037	V607-L1039 HydrophobicContact CG2-CD2 4.15Å; V607-L1039 CarbonylContact O-C 3.52Å; V607-L1039 WeakPolarHBondContact O-CA 3.38Å; M608-L1039 HydrophobicContact SD-CD2 3.81Å; F622-L1039 HydrophobicContact CE1-CD1 4.24Å; F622-L1039 HydrophobicContact CE1-CD2 3.98Å; F622-L1039 HydrophobicContact CZ-CD1 4.31Å; F622-L1039 HydrophobicContact CZ-CD2 3.87Å; Y650-L1039 HydrophobicContact CD1-CD1 4.12Å; Y650-L1039 HydrophobicContact CG-CD1 4.38Å; V718-L1039 HydrophobicContact CG1-CB 4.15Å; V718-L1039 HydrophobicContact CG2-CB 4.15Å; V1029-L1039 HydrophobicContact CG2-CD1 3.77Å; I1036-L1039 HydrophobicContact CG2-CD1 4.23Å; I1036-L1039 HydrophobicContact CG2-CG 4.33Å; P1037-L1039 WeakPolarHBondContact O-CD2 3.25Å; P1037-L1039 PolarHBondContact O-N 2.88Å
1040	Q	95.3	Very high	89.6	Confident	68 Å²	68	68.3 Å²	68.3	32%	0.318	35%	0.35	S	S	.	.			trans	-142.8	148.9	174.5	70.2	-178.4	14.4	0	0	111.2	V607 K609 E679 F1042	V607-Q1040 WeakPolarHBondContact CA-O 3.43Å; V607-Q1040 PolarHBondContact O-N 3.33Å; K609-Q1040 HydrophobicContact CB-CB 4.25Å; K609-Q1040 HydrophobicContact CB-CG 4.23Å; E679-Q1040 VanDerWaalsContact OE1-CA 3.31Å; E679-Q1040 WeakPolarHBondContact OE1-CA 3.41Å; Q1040-F1042 PolarHBondContact O-N 2.67Å
1041	T	96.5	Very high	89.5	Confident	50 Å²	50	67.1 Å²	67.1	31%	0.307	35%	0.345	S	S	.	.			trans	-60.3	132	171.7	-67.2	0	0	0	0	110.4	E679 P712 L716 A717 V718	E679-T1041 WeakPolarHBondContact OE2-CB 3.42Å; E679-T1041 PolarHBondContact OE2-N 2.76Å; E679-T1041 PolarHBondContact OE2-OG1 3.1Å; P712-T1041 HydrophobicContact CG-CG2 4.15Å; L716-T1041 CarbonylContact O-C 3.6Å; L716-T1041 VanDerWaalsContact O-CA 3.27Å; L716-T1041 WeakPolarHBondContact O-CA 3.49Å; L716-T1041 WeakPolarHBondContact O-CG2 3.33Å; A717-T1041 HydrophobicContact CB-CG2 4.41Å; V718-T1041 PolarHBondContact N-OG1 2.8Å
1042	F	97.3	Very high	90	Very high	20 Å²	20	63 Å²	63	9%	0.088	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-102.7	115.8	174.7	175.4	-108.2	0	0	0	109.9	L534 L606 G715 L716 Q1040 P1044	L534-F1042 HydrophobicContact CD1-CE1 4.39Å; L606-F1042 HydrophobicContact CB-CB 4.33Å; L606-F1042 HydrophobicContact CB-CD1 4.1Å; L606-F1042 HydrophobicContact CB-CD2 4.32Å; L606-F1042 HydrophobicContact CB-CG 3.99Å; L606-F1042 HydrophobicContact CD1-CD1 3.96Å; L606-F1042 HydrophobicContact CD1-CE1 3.73Å; L606-F1042 HydrophobicContact CD1-CZ 4.25Å; L606-F1042 HydrophobicContact CD2-CD1 4.36Å; L606-F1042 HydrophobicContact CD2-CD2 4.13Å; L606-F1042 HydrophobicContact CD2-CE1 3.96Å; L606-F1042 HydrophobicContact CD2-CE2 3.72Å; L606-F1042 HydrophobicContact CD2-CG 4.42Å; L606-F1042 HydrophobicContact CD2-CZ 3.62Å; L606-F1042 HydrophobicContact CG-CD1 4.37Å; L606-F1042 HydrophobicContact CG-CE1 4.28Å; L606-F1042 HydrophobicContact CG-CZ 4.42Å; G715-F1042 CarbonylContact C-O 3.4Å; G715-F1042 WeakPolarHBondContact CA-O 3.1Å; L716-F1042 HydrophobicContact CB-CB 4.2Å; L716-F1042 HydrophobicContact CD1-CB 4.43Å; L716-F1042 HydrophobicContact CD1-CD1 4.33Å; L716-F1042 PolarHBondContact N-O 3.37Å; L716-F1042 PolarHBondContact O-N 3.28Å; Q1040-F1042 PolarHBondContact O-N 2.67Å; F1042-P1044 HydrophobicContact CE1-CB 3.63Å; F1042-P1044 HydrophobicContact CE1-CG 3.92Å; F1042-P1044 HydrophobicContact CZ-CB 3.61Å; F1042-P1044 HydrophobicContact CZ-CG 4.4Å
1043	A	96.8	Very high	90.8	Very high	41 Å²	41	59.7 Å²	59.7	34%	0.339	30%	0.304	S	S	.	.			trans	-117.8	102.5	174.1	0	0	0	0	0	108.9	P712	P712-A1043 HydrophobicContact CB-CB 3.91Å; P712-A1043 HydrophobicContact CG-CB 4.32Å
1044	P	95.7	Very high	91.9	Very high	3 Å²	3	48 Å²	48	2%	0.019	26%	0.26	C	S	.	.			trans	-76.1	-24.2	-170.7	26.7	-34	0	0	0	114.1	L534 P713 L714 F1042 F1109 K1110	L534-P1044 HydrophobicContact CD1-CB 3.82Å; L534-P1044 HydrophobicContact CD1-CG 4.06Å; L534-P1044 HydrophobicContact CD2-CB 4.3Å; P713-P1044 WeakPolarHBondContact O-CD 3.33Å; L714-P1044 HydrophobicContact CB-CG 3.77Å; L714-P1044 WeakPolarHBondContact O-CG 3.4Å; F1042-P1044 HydrophobicContact CE1-CB 3.63Å; F1042-P1044 HydrophobicContact CE1-CG 3.92Å; F1042-P1044 HydrophobicContact CZ-CB 3.61Å; F1042-P1044 HydrophobicContact CZ-CG 4.4Å; P1044-F1109 CarbonylContact O-C 3.35Å; P1044-F1109 WeakPolarHBondContact O-CA 3.45Å; P1044-K1110 WeakPolarHBondContact O-CB 3.48Å; P1044-K1110 PolarHBondContact O-N 2.93Å
1045	L	94.8	Very high	92.9	Very high	25 Å²	25	36.1 Å²	36.1	13%	0.131	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-89.3	134.1	-174.3	-58.9	-168.5	0	0	0	111.6	P713 L714 I1049 L1108 F1109	P713-L1045 HydrophobicContact CB-CD1 3.61Å; P713-L1045 HydrophobicContact CB-CG 4.24Å; P713-L1045 HydrophobicContact CG-CD1 4.37Å; L714-L1045 HydrophobicContact CD1-CD1 4.47Å; L714-L1045 HydrophobicContact CD1-CD2 4.21Å; L1045-I1049 HydrophobicContact CD1-CD1 3.86Å; L1045-I1049 HydrophobicContact CD1-CG1 4.07Å; L1045-L1108 CarbonylContact C-O 3.57Å; L1045-L1108 WeakPolarHBondContact CA-O 3.13Å; L1045-L1108 HydrophobicContact CD2-CD1 4.02Å; L1045-L1108 HydrophobicContact CD2-CG 4.14Å; L1045-F1109 HydrophobicContact CD2-CD1 3.92Å; L1045-F1109 HydrophobicContact CD2-CE1 3.94Å
1046	K	92.2	Very high	93.6	Very high	135 Å²	135	34.2 Å²	34.2	59%	0.587	20%	0.195	S	C	*	.	S	Bend	trans	-90.5	-26.7	171.8	175.7	-174.7	179.3	-168.5	0	111.6	N1107 L1108 K1110	K1046-N1107 WeakPolarHBondContact CB-O 3.27Å; K1046-N1107 PolarHBondContact NZ-OD1 2.92Å; K1046-L1108 PolarHBondContact N-O 2.96Å; K1046-K1110 HydrophobicContact CB-CB 4.25Å
1047	S	89	Confident	94.1	Very high	44 Å²	44	32.5 Å²	32.5	31%	0.308	19%	0.186	S	C	.	.	S	Bend	trans	-131	151	174.1	60.2	0	0	0	0	111.3	N1107	S1047-N1107 PolarHBondContact OG-O 2.03Å
1048	V	88.2	Confident	94.5	Very high	102 Å²	102	30.5 Å²	30.5	62%	0.618	17%	0.173	S	C	*	.	P	Polyproline II helix	trans	-70.2	134.7	177.3	-177.5	0	0	0	0	110.1
1049	I	93.2	Very high	94.7	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.01	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-76.7	131.4	170.1	-69.1	170.1	0	0	0	107.9	E658 Q659 L1045 V1053 L1108	E658-I1049 HydrophobicContact CB-CB 4.48Å; E658-I1049 HydrophobicContact CB-CD1 3.82Å; E658-I1049 HydrophobicContact CG-CG2 4.33Å; Q659-I1049 PolarHBondContact NE2-O 3.5Å; Q659-I1049 PolarHBondContact OE1-O 3.08Å; L1045-I1049 HydrophobicContact CD1-CD1 3.86Å; L1045-I1049 HydrophobicContact CD1-CG1 4.07Å; I1049-V1053 HydrophobicContact CG2-CB 3.91Å; I1049-V1053 HydrophobicContact CG2-CG1 3.99Å; I1049-V1053 WeakPolarHBondContact CG2-O 3.34Å; I1049-L1108 HydrophobicContact CD1-CD1 3.98Å; I1049-L1108 HydrophobicContact CD1-CD2 4.47Å; I1049-L1108 HydrophobicContact CG1-CD1 3.6Å
1050	P	93.3	Very high	94.7	Very high	5 Å²	5	26.5 Å²	26.5	3%	0.032	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-52.6	142.1	177.5	-23.7	32.1	0	0	0	111.7	Q659 D1052 V1053 T1099	Q659-P1050 PolarHBondContact NE2-O 2.83Å; P1050-D1052 VanDerWaalsContact CB-OD1 3.31Å; P1050-D1052 WeakPolarHBondContact CB-OD1 3.22Å; P1050-D1052 PolarHBondContact O-N 3.25Å; P1050-V1053 HydrophobicContact CB-CB 4.42Å; P1050-V1053 HydrophobicContact CB-CG2 4.07Å; P1050-V1053 HydrophobicContact CG-CG2 4.27Å; P1050-V1053 PolarHBondContact O-N 2.86Å; P1050-T1099 HydrophobicContact CB-CG2 4.25Å; P1050-T1099 HydrophobicContact CG-CG2 3.76Å; P1050-T1099 WeakPolarHBondContact CG-OG1 3.29Å
1051	C	90.7	Very high	94.6	Very high	18 Å²	18	24.1 Å²	24.1	12%	0.122	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-18.5	-174.1	47.2	0	0	0	0	113.8	M1011 V1053 C1096 S1097	M1011-C1051 HydrophobicContact CE-CB 3.63Å; M1011-C1051 WeakPolarHBondContact CE-O 3.48Å; C1051-V1053 VanDerWaalsContact C-N 3.29Å; C1051-C1096 HydrophobicContact CB-CB 3.71Å; C1051-C1096 WeakPolarHBondContact CB-SG 3.17Å; C1051-C1096 VanDerWaalsContact SG-C 3.53Å; C1051-C1096 VanDerWaalsContact SG-CA 3.51Å; C1051-C1096 WeakPolarHBondContact SG-CB 3.39Å; C1051-C1096 CovalentContact SG-SG 2.03Å; C1051-C1096 PolarHBondContact SG-SG 2.8Å; C1051-S1097 PolarHBondContact N-O 2.84Å; C1051-S1097 PolarHBondContact SG-N 3Å
1052	D	93.3	Very high	94.2	Very high	3 Å²	3	23 Å²	23	2%	0.016	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	2.1	170.9	66	-42	0	0	0	113	P1050 R1080 L1081 T1098	P1050-D1052 VanDerWaalsContact CB-OD1 3.31Å; P1050-D1052 WeakPolarHBondContact CB-OD1 3.22Å; P1050-D1052 PolarHBondContact O-N 3.25Å; D1052-R1080 CarbonylContact O-C 3.51Å; D1052-R1080 VanDerWaalsContact O-CA 3.3Å; D1052-R1080 WeakPolarHBondContact O-CA 3.5Å; D1052-R1080 IonicContact OD2-CZ 3.68Å; D1052-R1080 IonicContact OD2-NE 2.76Å; D1052-R1080 PolarHBondContact OD2-NE 3.14Å; D1052-R1080 IonicContact OD2-NH2 3.42Å; D1052-R1080 PolarHBondContact OD2-NH2 3.48Å; D1052-R1080 VanDerWaalsContact OD2-NH2 3.11Å; D1052-L1081 PolarHBondContact O-N 3.26Å; D1052-T1098 HydrophobicContact CB-CG2 4.03Å
1053	V	96	Very high	93.7	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.006	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	111.5	177.7	178.7	0	0	0	0	109.7	I1049 P1050 C1051 L1078 L1139	I1049-V1053 HydrophobicContact CG2-CB 3.91Å; I1049-V1053 HydrophobicContact CG2-CG1 3.99Å; I1049-V1053 WeakPolarHBondContact CG2-O 3.34Å; P1050-V1053 HydrophobicContact CB-CB 4.42Å; P1050-V1053 HydrophobicContact CB-CG2 4.07Å; P1050-V1053 HydrophobicContact CG-CG2 4.27Å; P1050-V1053 PolarHBondContact O-N 2.86Å; C1051-V1053 VanDerWaalsContact C-N 3.29Å; V1053-L1078 HydrophobicContact CG1-CB 4.4Å; V1053-L1078 HydrophobicContact CG1-CD2 4.14Å; V1053-L1139 HydrophobicContact CG1-CD1 4.13Å; V1053-L1139 HydrophobicContact CG2-CD1 4.32Å
1054	H	96.4	Very high	92.8	Very high	17 Å²	17	30.2 Å²	30.2	8%	0.079	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	127.8	174.7	179.8	54.1	0	0	0	111.1	Y260 E658 L1056 L1078 H1079 L1081	Y260-H1054 PolarHBondContact OH-CD2 3.29Å; E658-H1054 WeakPolarHBondContact OE1-CA 3.34Å; E658-H1054 IonicContact OE1-CE1 3.22Å; E658-H1054 IonicContact OE1-CG 2.89Å; E658-H1054 IonicContact OE1-ND1 3.09Å; E658-H1054 PolarHBondContact OE1-ND1 3Å; E658-H1054 IonicContact OE2-ND1 3.29Å; H1054-L1056 VanDerWaalsContact CD2-CD2 3.43Å; H1054-L1056 WeakPolarHBondContact CD2-CD2 3.45Å; H1054-L1056 PolarHBondContact O-N 3.17Å; H1054-L1078 WeakPolarHBondContact O-CA 3.44Å; H1054-H1079 HydrophobicContact CB-CB 4.42Å; H1054-H1079 PolarHBondContact N-O 2.95Å; H1054-H1079 PolarHBondContact O-N 2.57Å; H1054-L1081 HydrophobicContact CB-CD1 4.33Å; H1054-L1081 HydrophobicContact CB-CD2 4.35Å; H1054-L1081 HydrophobicContact CB-CG 4.3Å
1055	L	97.1	Very high	92	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.01	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	95.2	170.9	176.4	62.8	0	0	0	108.9	R526 I530 E658 L714 N1057 L1076 L1078	R526-L1055 VanDerWaalsContact CZ-O 3.24Å; R526-L1055 PolarHBondContact NE-O 3.11Å; R526-L1055 PolarHBondContact NH2-O 2.69Å; I530-L1055 HydrophobicContact CD1-CD2 4.05Å; I530-L1055 HydrophobicContact CD1-CG 4.48Å; I530-L1055 HydrophobicContact CG1-CD2 4.44Å; E658-L1055 HydrophobicContact CB-CB 4.05Å; E658-L1055 HydrophobicContact CG-CB 4.19Å; L714-L1055 HydrophobicContact CD1-CD2 3.45Å; L714-L1055 VanDerWaalsContact CD1-CD2 3.45Å; L714-L1055 HydrophobicContact CD2-CD2 4.15Å; L714-L1055 HydrophobicContact CG-CD2 4.44Å; L1055-N1057 PolarHBondContact O-N 3.39Å; L1055-L1076 HydrophobicContact CD1-CD1 3.33Å; L1055-L1078 HydrophobicContact CD1-CD2 3.85Å
1056	L	97	Very high	91.4	Very high	5 Å²	5	41.3 Å²	41.3	3%	0.026	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	-48.1	179.6	-72.5	173.4	0	0	0	111.9	Y260 I264 R526 H1054 L1077 H1079 I1144	Y260-L1056 HydrophobicContact CD2-CD2 4.2Å; Y260-L1056 HydrophobicContact CE2-CD1 4.18Å; Y260-L1056 HydrophobicContact CE2-CD2 3.17Å; Y260-L1056 HydrophobicContact CE2-CG 4.29Å; Y260-L1056 VanDerWaalsContact CZ-CD2 3.42Å; Y260-L1056 WeakPolarHBondContact OH-CD2 3.39Å; I264-L1056 HydrophobicContact CD1-CD1 4.32Å; R526-L1056 VanDerWaalsContact CD-O 3.28Å; R526-L1056 WeakPolarHBondContact CD-O 3.25Å; R526-L1056 PolarHBondContact NE-O 2.71Å; H1054-L1056 VanDerWaalsContact CD2-CD2 3.43Å; H1054-L1056 WeakPolarHBondContact CD2-CD2 3.45Å; H1054-L1056 PolarHBondContact O-N 3.17Å; L1056-L1077 HydrophobicContact CB-CB 3.87Å; L1056-L1077 HydrophobicContact CD1-CB 4.38Å; L1056-L1077 PolarHBondContact N-O 3.41Å; L1056-H1079 HydrophobicContact CD1-CB 3.81Å; L1056-H1079 HydrophobicContact CD2-CB 4.12Å; L1056-H1079 HydrophobicContact CG-CB 3.8Å; L1056-I1144 HydrophobicContact CD1-CD1 4.14Å; L1056-I1144 HydrophobicContact CD1-CG1 4.3Å; L1056-I1144 HydrophobicContact CD1-CG2 3.5Å; L1056-I1144 VanDerWaalsContact CD1-CG2 3.5Å
1057	N	97.6	Very high	90.6	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.021	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	153.2	178.4	-150.3	-17.1	0	0	0	111.4	F261 E529 L1055 L1077	F261-N1057 HydrophobicContact CE2-CB 4.3Å; E529-N1057 VanDerWaalsContact CB-OD1 3.27Å; E529-N1057 WeakPolarHBondContact CB-OD1 3.32Å; L1055-N1057 PolarHBondContact O-N 3.39Å; N1057-L1077 HydrophobicContact CB-CD1 3.93Å; N1057-L1077 PolarHBondContact N-O 3.36Å; N1057-L1077 PolarHBondContact O-N 3.31Å
1058	L	97.3	Very high	90.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	88.3	164.1	-178.3	72.7	0	0	0	106.6	E529 I530 S533 L534 T1074 A1075 L1076 F1109 L1149	E529-L1058 CarbonylContact C-O 3.54Å; I530-L1058 WeakPolarHBondContact CA-O 3.25Å; I530-L1058 HydrophobicContact CB-CB 4.43Å; I530-L1058 HydrophobicContact CG1-CB 3.89Å; I530-L1058 PolarHBondContact N-O 3.3Å; S533-L1058 PolarHBondContact OG-O 2.74Å; S533-L1058 VanDerWaalsContact OG-O 3.04Å; L534-L1058 HydrophobicContact CD2-CD2 4.04Å; L534-L1058 HydrophobicContact CG-CD2 4.08Å; L1058-T1074 HydrophobicContact CD1-CG2 3.52Å; L1058-T1074 HydrophobicContact CG-CG2 3.68Å; L1058-A1075 CarbonylContact C-O 3.46Å; L1058-A1075 VanDerWaalsContact CA-O 3.3Å; L1058-A1075 WeakPolarHBondContact CA-O 3.34Å; L1058-L1076 HydrophobicContact CD1-CB 4.2Å; L1058-L1076 HydrophobicContact CD1-CD1 4.06Å; L1058-F1109 HydrophobicContact CD1-CZ 4.33Å; L1058-F1109 HydrophobicContact CD2-CE1 4.17Å; L1058-F1109 HydrophobicContact CD2-CZ 3.89Å; L1058-L1149 HydrophobicContact CD1-CD1 4.36Å
1059	R	95.9	Very high	90.3	Very high	11 Å²	11	38.6 Å²	38.6	4%	0.042	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	136.4	-169.6	62.5	176.1	-70.6	-172.3	-10.5	112.9	D265 E269 E529 R560 I1061 T1074 A1075 L1077	D265-R1059 IonicContact OD1-CZ 3.91Å; D265-R1059 IonicContact OD1-NH1 2.87Å; D265-R1059 PolarHBondContact OD1-NH1 2.92Å; D265-R1059 IonicContact OD2-NH1 3.29Å; E269-R1059 IonicContact OE2-NH2 3.59Å; E529-R1059 HydrophobicContact CB-CB 4.15Å; E529-R1059 HydrophobicContact CG-CB 4.05Å; E529-R1059 WeakPolarHBondContact OE2-CA 3.14Å; E529-R1059 WeakPolarHBondContact OE2-CB 3.25Å; R560-R1059 VanDerWaalsContact CD-NH2 3.32Å; R560-R1059 VanDerWaalsContact CZ-NH2 3.26Å; R560-R1059 VanDerWaalsContact NH1-NH2 3.18Å; R1059-I1061 PolarHBondContact O-N 2.74Å; R1059-T1074 CarbonylContact O-C 3.51Å; R1059-T1074 WeakPolarHBondContact O-CA 3.47Å; R1059-T1074 VanDerWaalsContact O-CG2 3.31Å; R1059-T1074 WeakPolarHBondContact O-CG2 3.47Å; R1059-A1075 HydrophobicContact CG-CB 3.94Å; R1059-A1075 PolarHBondContact N-O 2.71Å; R1059-A1075 PolarHBondContact O-N 2.98Å; R1059-L1077 HydrophobicContact CG-CD1 4.31Å
1060	S	94.8	Very high	90.3	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.007	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	134.2	176.4	-70.6	0	0	0	0	110.3	E529 S533 R560	E529-S1060 PolarHBondContact OE2-N 3.06Å; S533-S1060 PolarHBondContact OG-N 3.34Å; S533-S1060 PolarHBondContact OG-OG 3.47Å; R560-S1060 PolarHBondContact NH2-O 3.37Å
1061	I	93.2	Very high	90.2	Very high	18 Å²	18	39.6 Å²	39.6	9%	0.092	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	136.9	179.3	-58.2	176.2	0	0	0	108.4	R1059 S1071 Y1073 A1075 L1124 K1148	R1059-I1061 PolarHBondContact O-N 2.74Å; I1061-S1071 WeakPolarHBondContact O-CA 3.43Å; I1061-S1071 WeakPolarHBondContact O-CB 3.41Å; I1061-S1071 PolarHBondContact O-N 3.04Å; I1061-S1071 PolarHBondContact O-OG 2.85Å; I1061-Y1073 PolarHBondContact N-O 3.28Å; I1061-A1075 HydrophobicContact CD1-CB 4.16Å; I1061-A1075 HydrophobicContact CG1-CB 4.06Å; I1061-L1124 HydrophobicContact CD1-CD1 4.17Å; I1061-L1124 HydrophobicContact CG1-CD1 4.28Å; I1061-K1148 HydrophobicContact CD1-CD 4.4Å; I1061-K1148 HydrophobicContact CD1-CG 3.98Å
1062	Q	88.7	Confident	90.2	Very high	27 Å²	27	41.3 Å²	41.3	13%	0.126	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	147.3	179.9	-162.1	171.6	39.9	0	0	112.1	Y553 P1067	Y553-Q1062 HydrophobicContact CE1-CB 4.39Å; Y553-Q1062 HydrophobicContact CE1-CG 4.05Å; Y553-Q1062 WeakPolarHBondContact OH-CA 3.38Å; Y553-Q1062 VanDerWaalsContact OH-CB 3.25Å; Y553-Q1062 WeakPolarHBondContact OH-CB 3.35Å; Y553-Q1062 PolarHBondContact OH-N 3.4Å; Q1062-P1067 PolarHBondContact NE2-O 3.1Å
1063	T	86.3	Confident	90.3	Very high	37 Å²	37	44.6 Å²	44.6	23%	0.227	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-79	153.9	171.2	-172.5	0	0	0	0	111.6	K1065 D1066 S1069	T1063-K1065 VanDerWaalsContact C-N 3.29Å; T1063-K1065 PolarHBondContact O-N 3.22Å; T1063-D1066 HydrophobicContact CG2-CB 4.12Å; T1063-D1066 WeakPolarHBondContact CG2-O 3.25Å; T1063-S1069 WeakPolarHBondContact CG2-O 3.33Å; T1063-S1069 PolarHBondContact N-O 3.06Å; T1063-S1069 VanDerWaalsContact N-O 3.14Å
1064	Q	79.1	Confident	90.3	Very high	174 Å²	174	44.7 Å²	44.7	81%	0.813	23%	0.225	S	C	*	.	S	Bend	trans	-73.6	-20.4	177	-71.7	-176.2	-13.3	0	0	113.2
1065	K	78.7	Confident	90.4	Very high	200 Å²	200	43.9 Å²	43.9	87%	0.87	22%	0.221	S	C	*	.	S	Bend	trans	-87	-34.6	-173.1	-65.6	-174.4	179	-177.1	0	114.3	T1063	T1063-K1065 VanDerWaalsContact C-N 3.29Å; T1063-K1065 PolarHBondContact O-N 3.22Å
1066	D	81.1	Confident	90.4	Very high	61 Å²	61	43.8 Å²	43.8	33%	0.326	22%	0.221	S	C	.	.			trans	-141.6	118.4	-172.9	173.2	15.5	0	0	0	109.1	T1063 E1068 S1069	T1063-D1066 HydrophobicContact CG2-CB 4.12Å; T1063-D1066 WeakPolarHBondContact CG2-O 3.25Å; D1066-E1068 PolarHBondContact O-N 3.41Å; D1066-E1068 PolarHBondContact OD1-N 3.42Å; D1066-S1069 PolarHBondContact O-N 3.15Å; D1066-S1069 WeakPolarHBondContact OD2-CB 3.49Å; D1066-S1069 PolarHBondContact OD2-OG 3.48Å
1067	P	76.1	Confident	90.5	Very high	63 Å²	63	43.7 Å²	43.7	41%	0.409	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-21.9	178.8	26.9	-35.3	0	0	0	113.6	Q1062	Q1062-P1067 PolarHBondContact NE2-O 3.1Å
1068	E	82.3	Confident	90.5	Very high	125 Å²	125	43.6 Å²	43.6	58%	0.584	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96	6	-176.4	-65.7	-173.6	-178.5	0	0	113.5	Y553 A554 D1066	Y553-E1068 WeakPolarHBondContact CD1-O 3.47Å; A554-E1068 HydrophobicContact CB-CB 4.23Å; A554-E1068 HydrophobicContact CB-CG 4.23Å; D1066-E1068 PolarHBondContact O-N 3.41Å; D1066-E1068 PolarHBondContact OD1-N 3.42Å
1069	S	88.1	Confident	90.5	Very high	37 Å²	37	43.7 Å²	43.7	26%	0.259	22%	0.22	S	C	.	.	S	Bend	trans	-117.8	143.7	-178.1	-72.8	0	0	0	0	113.4	T1063 D1066	T1063-S1069 WeakPolarHBondContact CG2-O 3.33Å; T1063-S1069 PolarHBondContact N-O 3.06Å; T1063-S1069 VanDerWaalsContact N-O 3.14Å; D1066-S1069 PolarHBondContact O-N 3.15Å; D1066-S1069 WeakPolarHBondContact OD2-CB 3.49Å; D1066-S1069 PolarHBondContact OD2-OG 3.48Å
1070	P	92.4	Very high	90.6	Very high	18 Å²	18	43.5 Å²	43.5	12%	0.117	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	148.8	171.4	33.9	-36.3	0	0	0	111	Y532 Y553	Y532-P1070 HydrophobicContact CE1-CB 4.47Å; Y532-P1070 WeakPolarHBondContact OH-CG 3.37Å; Y553-P1070 HydrophobicContact CD2-CB 3.76Å; Y553-P1070 HydrophobicContact CD2-CG 4.4Å; Y553-P1070 HydrophobicContact CE2-CB 4.04Å; Y553-P1070 HydrophobicContact CG-CB 4.16Å; Y553-P1070 HydrophobicContact CG-CG 4.43Å
1071	S	91.9	Very high	90.6	Very high	9 Å²	9	44.7 Å²	44.7	6%	0.063	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	174.9	166.1	82.5	0	0	0	0	110.8	R540 I1061 Y1073	R540-S1071 PolarHBondContact NH2-O 3.06Å; R540-S1071 VanDerWaalsContact NH2-O 3.12Å; I1061-S1071 WeakPolarHBondContact O-CA 3.43Å; I1061-S1071 WeakPolarHBondContact O-CB 3.41Å; I1061-S1071 PolarHBondContact O-N 3.04Å; I1061-S1071 PolarHBondContact O-OG 2.85Å; S1071-Y1073 PolarHBondContact O-N 2.98Å; S1071-Y1073 PolarHBondContact OG-N 2.79Å; S1071-Y1073 PolarHBondContact OG-O 3.17Å
1072	P	91.1	Very high	90.6	Very high	54 Å²	54	44 Å²	44	35%	0.351	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	-0.5	170.2	31.1	-35.5	0	0	0	113.5
1073	Y	95.3	Very high	90.6	Very high	72 Å²	72	43.1 Å²	43.1	28%	0.282	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	149.3	-175.4	-53.4	-74.4	0	0	0	112.4	I1061 S1071 L1116 K1148 L1149 K1150	I1061-Y1073 PolarHBondContact N-O 3.28Å; S1071-Y1073 PolarHBondContact O-N 2.98Å; S1071-Y1073 PolarHBondContact OG-N 2.79Å; S1071-Y1073 PolarHBondContact OG-O 3.17Å; Y1073-L1116 HydrophobicContact CD1-CD2 4.18Å; Y1073-L1116 HydrophobicContact CE1-CD2 3.8Å; Y1073-K1148 HydrophobicContact CD1-CD 4.47Å; Y1073-K1148 HydrophobicContact CD1-CG 4.24Å; Y1073-K1148 HydrophobicContact CG-CD 4.46Å; Y1073-K1148 HydrophobicContact CG-CG 4.35Å; Y1073-L1149 CarbonylContact C-O 3.59Å; Y1073-L1149 WeakPolarHBondContact CA-O 3.3Å; Y1073-K1150 HydrophobicContact CD1-CB 3.92Å; Y1073-K1150 HydrophobicContact CD1-CG 4.34Å; Y1073-K1150 HydrophobicContact CE1-CB 4.05Å; Y1073-K1150 HydrophobicContact CE1-CD 4.11Å; Y1073-K1150 HydrophobicContact CE1-CG 4.28Å
1074	T	96.2	Very high	90.8	Very high	4 Å²	4	42.4 Å²	42.4	3%	0.025	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	138.6	178.2	-53.2	0	0	0	0	108.7	L1058 R1059 L1149	L1058-T1074 HydrophobicContact CD1-CG2 3.52Å; L1058-T1074 HydrophobicContact CG-CG2 3.68Å; R1059-T1074 CarbonylContact O-C 3.51Å; R1059-T1074 WeakPolarHBondContact O-CA 3.47Å; R1059-T1074 VanDerWaalsContact O-CG2 3.31Å; R1059-T1074 WeakPolarHBondContact O-CG2 3.47Å; T1074-L1149 PolarHBondContact N-O 3.06Å; T1074-L1149 PolarHBondContact O-N 2.96Å
1075	A	97.7	Very high	91.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	125.1	173	0	0	0	0	0	109.8	L1058 R1059 I1061 L1077 L1124 F1147	L1058-A1075 CarbonylContact C-O 3.46Å; L1058-A1075 VanDerWaalsContact CA-O 3.3Å; L1058-A1075 WeakPolarHBondContact CA-O 3.34Å; R1059-A1075 HydrophobicContact CG-CB 3.94Å; R1059-A1075 PolarHBondContact N-O 2.71Å; R1059-A1075 PolarHBondContact O-N 2.98Å; I1061-A1075 HydrophobicContact CD1-CB 4.16Å; I1061-A1075 HydrophobicContact CG1-CB 4.06Å; A1075-L1077 HydrophobicContact CB-CD1 4.07Å; A1075-L1124 HydrophobicContact CB-CD1 3.49Å; A1075-L1124 VanDerWaalsContact CB-CD1 3.49Å; A1075-L1124 HydrophobicContact CB-CD2 3.99Å; A1075-L1124 HydrophobicContact CB-CG 4.36Å; A1075-F1147 CarbonylContact C-O 3.5Å; A1075-F1147 WeakPolarHBondContact CA-O 3.49Å
1076	L	97.8	Very high	91.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	116.5	170.7	173.4	69.4	0	0	0	108.2	L1055 L1058 L1078 V1105 A1146 F1147 L1149	L1055-L1076 HydrophobicContact CD1-CD1 3.33Å; L1058-L1076 HydrophobicContact CD1-CB 4.2Å; L1058-L1076 HydrophobicContact CD1-CD1 4.06Å; L1076-L1078 HydrophobicContact CD1-CD2 3.97Å; L1076-L1078 HydrophobicContact CD1-CG 4.31Å; L1076-L1078 HydrophobicContact CD2-CD1 4.13Å; L1076-L1078 HydrophobicContact CD2-CG 4.35Å; L1076-L1078 HydrophobicContact CG-CD1 4.39Å; L1076-L1078 HydrophobicContact CG-CD2 4.29Å; L1076-L1078 HydrophobicContact CG-CG 4.08Å; L1076-V1105 HydrophobicContact CD2-CG1 4.17Å; L1076-V1105 HydrophobicContact CD2-CG2 4.33Å; L1076-A1146 CarbonylContact O-C 3.51Å; L1076-A1146 WeakPolarHBondContact O-CA 3.3Å; L1076-F1147 HydrophobicContact CB-CB 4.33Å; L1076-F1147 HydrophobicContact CD2-CD2 4.44Å; L1076-F1147 PolarHBondContact N-O 2.92Å; L1076-F1147 PolarHBondContact O-N 2.99Å; L1076-L1149 HydrophobicContact CB-CD1 3.72Å; L1076-L1149 HydrophobicContact CB-CG 3.98Å; L1076-L1149 HydrophobicContact CD2-CD1 4.04Å; L1076-L1149 HydrophobicContact CG-CD1 4.41Å
1077	L	98.4	Very high	91.8	Very high	3 Å²	3	25.2 Å²	25.2	2%	0.016	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	125.1	175.6	-64.6	99.8	0	0	0	109.5	I264 I268 L1056 N1057 R1059 A1075 L1122 S1145 A1146	I264-L1077 HydrophobicContact CG2-CD2 4.01Å; I268-L1077 HydrophobicContact CD1-CD2 3.97Å; L1056-L1077 HydrophobicContact CB-CB 3.87Å; L1056-L1077 HydrophobicContact CD1-CB 4.38Å; L1056-L1077 PolarHBondContact N-O 3.41Å; N1057-L1077 HydrophobicContact CB-CD1 3.93Å; N1057-L1077 PolarHBondContact N-O 3.36Å; N1057-L1077 PolarHBondContact O-N 3.31Å; R1059-L1077 HydrophobicContact CG-CD1 4.31Å; A1075-L1077 HydrophobicContact CB-CD1 4.07Å; L1077-L1122 HydrophobicContact CD2-CD1 4.16Å; L1077-S1145 WeakPolarHBondContact CA-O 3.14Å; L1077-A1146 HydrophobicContact CD2-CB 4.44Å; L1077-A1146 HydrophobicContact CG-CB 4.35Å
1078	L	98.1	Very high	92	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	136.5	-178.5	-61.5	176	0	0	0	109.7	V1053 H1054 L1055 L1076 L1103 I1137 L1139 I1144 S1145 F1147	V1053-L1078 HydrophobicContact CG1-CB 4.4Å; V1053-L1078 HydrophobicContact CG1-CD2 4.14Å; H1054-L1078 WeakPolarHBondContact O-CA 3.44Å; L1055-L1078 HydrophobicContact CD1-CD2 3.85Å; L1076-L1078 HydrophobicContact CD1-CD2 3.97Å; L1076-L1078 HydrophobicContact CD1-CG 4.31Å; L1076-L1078 HydrophobicContact CD2-CD1 4.13Å; L1076-L1078 HydrophobicContact CD2-CG 4.35Å; L1076-L1078 HydrophobicContact CG-CD1 4.39Å; L1076-L1078 HydrophobicContact CG-CD2 4.29Å; L1076-L1078 HydrophobicContact CG-CG 4.08Å; L1078-L1103 HydrophobicContact CD1-CD2 3.8Å; L1078-I1137 HydrophobicContact CD1-CD1 3.5Å; L1078-I1137 VanDerWaalsContact CD1-CD1 3.5Å; L1078-L1139 HydrophobicContact CB-CD1 3.92Å; L1078-L1139 HydrophobicContact CD1-CD1 4.08Å; L1078-I1144 CarbonylContact O-C 3.44Å; L1078-I1144 VanDerWaalsContact O-CA 3.29Å; L1078-I1144 WeakPolarHBondContact O-CA 3.2Å; L1078-S1145 PolarHBondContact N-O 2.9Å; L1078-S1145 PolarHBondContact O-N 3.27Å; L1078-F1147 HydrophobicContact CD1-CE2 4.27Å
1079	H	98.1	Very high	91.2	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.009	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	124.7	169.9	174.7	-161.9	0	0	0	108.4	Y260 Y906 H1054 L1056 E1143 I1144	Y260-H1079 AromaticContact CE2-ND1 3.81Å; Y260-H1079 AromaticContact CZ-ND1 3.83Å; Y260-H1079 PolarHBondContact OH-ND1 3.23Å; Y906-H1079 AromaticContact CD2-CE1 3.75Å; Y906-H1079 AromaticContact CE2-CE1 3.87Å; Y906-H1079 AromaticContact CE2-NE2 3.65Å; H1054-H1079 HydrophobicContact CB-CB 4.42Å; H1054-H1079 PolarHBondContact N-O 2.95Å; H1054-H1079 PolarHBondContact O-N 2.57Å; L1056-H1079 HydrophobicContact CD1-CB 3.81Å; L1056-H1079 HydrophobicContact CD2-CB 4.12Å; L1056-H1079 HydrophobicContact CG-CB 3.8Å; H1079-E1143 WeakPolarHBondContact CA-O 3.48Å; H1079-I1144 HydrophobicContact CB-CG1 4.1Å
1080	R	96.9	Very high	90	Very high	8 Å²	8	26.5 Å²	26.5	3%	0.03	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	115.6	169.4	-173.9	176.6	-176.4	-154.1	-9.2	110	D116 D1052 Q1100 G1101 L1139 E1140 M1142 E1143	D116-R1080 IonicContact OD1-CZ 3.15Å; D116-R1080 IonicContact OD1-NH2 3.07Å; D116-R1080 PolarHBondContact OD1-NH2 3.38Å; D116-R1080 IonicContact OD2-NH2 3.19Å; D1052-R1080 CarbonylContact O-C 3.51Å; D1052-R1080 VanDerWaalsContact O-CA 3.3Å; D1052-R1080 WeakPolarHBondContact O-CA 3.5Å; D1052-R1080 IonicContact OD2-CZ 3.68Å; D1052-R1080 IonicContact OD2-NE 2.76Å; D1052-R1080 PolarHBondContact OD2-NE 3.14Å; D1052-R1080 IonicContact OD2-NH2 3.42Å; D1052-R1080 PolarHBondContact OD2-NH2 3.48Å; D1052-R1080 VanDerWaalsContact OD2-NH2 3.11Å; R1080-Q1100 VanDerWaalsContact CZ-C 3.42Å; R1080-Q1100 PolarHBondContact NH1-O 3.39Å; R1080-G1101 VanDerWaalsContact CZ-CA 3.47Å; R1080-L1139 HydrophobicContact CB-CB 3.82Å; R1080-L1139 HydrophobicContact CB-CD1 4.46Å; R1080-L1139 WeakPolarHBondContact CD-O 3.41Å; R1080-L1139 HydrophobicContact CG-CB 4.44Å; R1080-L1139 PolarHBondContact NH1-O 3.47Å; R1080-E1140 WeakPolarHBondContact CB-O 3.27Å; R1080-M1142 VanDerWaalsContact O-CA 3.24Å; R1080-M1142 WeakPolarHBondContact O-CA 3.45Å; R1080-M1142 PolarHBondContact O-N 2.93Å; R1080-E1143 PolarHBondContact N-O 3.17Å
1081	L	95.1	Very high	88.8	Confident	25 Å²	25	32.4 Å²	32.4	13%	0.131	17%	0.174	C	C	.	.			trans	-73.2	136.4	-179.9	-55.1	174.4	0	0	0	110.2	H1014 D1052 H1054	H1014-L1081 HydrophobicContact CB-CD1 3.96Å; D1052-L1081 PolarHBondContact O-N 3.26Å; H1054-L1081 HydrophobicContact CB-CD1 4.33Å; H1054-L1081 HydrophobicContact CB-CD2 4.35Å; H1054-L1081 HydrophobicContact CB-CG 4.3Å
1082	A	92.4	Very high	88.1	Confident	3 Å²	3	32.6 Å²	32.6	3%	0.025	17%	0.174	C	C	.	.			trans	-85.8	142.8	164.1	0	0	0	0	0	110.6	F119 F1008 H1014 P1141 M1142	F119-A1082 HydrophobicContact CD1-CB 3.6Å; F119-A1082 HydrophobicContact CE1-CB 3.57Å; F1008-A1082 HydrophobicContact CD1-CB 3.39Å; F1008-A1082 HydrophobicContact CE1-CB 3.65Å; F1008-A1082 HydrophobicContact CG-CB 4.08Å; H1014-A1082 PolarHBondContact NE2-O 3.41Å; A1082-P1141 HydrophobicContact CB-CB 4.12Å; A1082-M1142 HydrophobicContact CB-CG 3.72Å; A1082-M1142 HydrophobicContact CB-SD 3.44Å; A1082-M1142 WeakPolarHBondContact CB-SD 3.43Å
1083	T	90.1	Very high	87.4	Confident	10 Å²	10	30.8 Å²	30.8	6%	0.061	17%	0.166	C	C	.	.			trans	-130.9	131.5	-170.1	-63.8	0	0	0	0	111.3	A120 P1009 M1011	A120-T1083 VanDerWaalsContact CB-O 3.25Å; A120-T1083 WeakPolarHBondContact CB-O 3.25Å; P1009-T1083 WeakPolarHBondContact O-CA 3.34Å; M1011-T1083 HydrophobicContact CB-CG2 4.42Å; M1011-T1083 HydrophobicContact CG-CG2 3.61Å; M1011-T1083 HydrophobicContact SD-CG2 3.47Å; M1011-T1083 WeakPolarHBondContact SD-CG2 3.37Å; M1011-T1083 PolarHBondContact SD-OG1 3.39Å
1084	D	89.6	Confident	86.7	Confident	21 Å²	21	29.3 Å²	29.3	11%	0.112	16%	0.161	C	C	.	.			trans	-80.9	113.9	166.6	-173.2	-8.6	0	0	0	109.6	R938 F1008 P1009 G1086 F1087	R938-D1084 IonicContact CZ-OD2 3.43Å; R938-D1084 IonicContact NH1-OD2 2.74Å; R938-D1084 IonicContact NH2-OD2 3.98Å; R938-D1084 PolarHBondContact NH2-OD2 3.19Å; R938-D1084 VanDerWaalsContact NH2-OD2 3.07Å; F1008-D1084 HydrophobicContact CB-CB 4.21Å; F1008-D1084 VanDerWaalsContact O-CB 3.3Å; F1008-D1084 WeakPolarHBondContact O-CB 3.39Å; P1009-D1084 PolarHBondContact O-N 3.23Å; D1084-G1086 VanDerWaalsContact C-N 3.32Å; D1084-G1086 PolarHBondContact OD1-N 3.23Å; D1084-F1087 HydrophobicContact CB-CD2 4.37Å; D1084-F1087 HydrophobicContact CB-CE2 3.95Å; D1084-F1087 WeakPolarHBondContact OD2-CE2 3.33Å
1085	C	86.6	Confident	86.1	Confident	45 Å²	45	32.7 Å²	32.7	30%	0.304	18%	0.178	S	C	.	.			trans	-89.5	6.9	178.4	-59.8	0	0	0	0	113.3	C117 F1087	C117-C1085 WeakPolarHBondContact CA-SG 3.33Å; C117-C1085 HydrophobicContact CB-CB 3.55Å; C117-C1085 WeakPolarHBondContact CB-SG 3.19Å; C117-C1085 WeakPolarHBondContact SG-CB 3.18Å; C117-C1085 CovalentContact SG-SG 2.03Å; C117-C1085 PolarHBondContact SG-SG 3.22Å; C1085-F1087 PolarHBondContact O-N 3.13Å
1086	G	86.8	Confident	85.5	Confident	2 Å²	2	32.8 Å²	32.8	2%	0.021	18%	0.179	C	C	.	.			trans	-72.5	15.9	179.2	0	0	0	0	0	115.7	R994 S995 N998 D1084	R994-G1086 CarbonylContact C-O 3.56Å; R994-G1086 WeakPolarHBondContact CA-O 3.38Å; S995-G1086 PolarHBondContact N-O 3.11Å; N998-G1086 WeakPolarHBondContact ND2-CA 3.22Å; D1084-G1086 VanDerWaalsContact C-N 3.32Å; D1084-G1086 PolarHBondContact OD1-N 3.23Å
1087	F	87.3	Confident	85	Confident	27 Å²	27	35 Å²	35	12%	0.118	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-114.9	143.4	-174.5	-66	-80.9	0	0	0	111.9	R938 E992 R993 R994 D1084 C1085 G1089	R938-F1087 HydrophobicContact CB-CE1 3.79Å; R938-F1087 HydrophobicContact CB-CZ 4.15Å; E992-F1087 HydrophobicContact CB-CD1 3.46Å; E992-F1087 VanDerWaalsContact CB-CD1 3.46Å; E992-F1087 HydrophobicContact CB-CE1 3.78Å; E992-F1087 HydrophobicContact CB-CG 4.39Å; E992-F1087 HydrophobicContact CG-CD1 4.46Å; R993-F1087 WeakPolarHBondContact O-CA 3.34Å; R994-F1087 HydrophobicContact CG-CD1 4.1Å; R994-F1087 HydrophobicContact CG-CE1 3.55Å; R994-F1087 HydrophobicContact CG-CZ 4.14Å; D1084-F1087 HydrophobicContact CB-CD2 4.37Å; D1084-F1087 HydrophobicContact CB-CE2 3.95Å; D1084-F1087 WeakPolarHBondContact OD2-CE2 3.33Å; C1085-F1087 PolarHBondContact O-N 3.13Å; F1087-G1089 PolarHBondContact O-N 3.24Å
1088	E	79.1	Confident	84.7	Confident	66 Å²	66	35 Å²	35	31%	0.308	20%	0.195	S	C	.	.			trans	-70.3	122.8	176.4	-66.9	-177.7	178	0	0	110.7	R993	R993-E1088 VanDerWaalsContact CD-OE2 3.27Å; R993-E1088 WeakPolarHBondContact CD-OE2 3.49Å; R993-E1088 IonicContact CZ-OE1 3.88Å; R993-E1088 VanDerWaalsContact CZ-OE1 3.25Å; R993-E1088 IonicContact CZ-OE2 3.68Å; R993-E1088 IonicContact NE-OE1 3.64Å; R993-E1088 PolarHBondContact NE-OE1 2.78Å; R993-E1088 IonicContact NE-OE2 2.78Å; R993-E1088 IonicContact NH1-OE1 3.15Å; R993-E1088 PolarHBondContact NH1-OE1 2.95Å; R993-E1088 IonicContact NH1-OE2 2.71Å; R993-E1088 PolarHBondContact NH1-OE2 3.38Å; R993-E1088 IonicContact NH2-OE1 3.74Å; R993-E1088 PolarHBondContact O-N 2.97Å
1089	G	65.4	Low	84.4	Confident	29 Å²	29	37.4 Å²	37.4	30%	0.299	21%	0.209	S	C	.	.			trans	-122.1	38.8	-171.4	0	0	0	0	0	115.1	F1087	F1087-G1089 PolarHBondContact O-N 3.24Å
1090	Q	64.2	Low	84.1	Confident	157 Å²	157	40.7 Å²	40.7	73%	0.734	23%	0.225	S	C	*	.	S	Bend	trans	-86.8	141.6	177.4	-63.6	-176.5	7	0	0	111.2	L1092	Q1090-L1092 VanDerWaalsContact C-N 3.33Å; Q1090-L1092 PolarHBondContact O-N 3.05Å
1091	N	67.4	Low	83.8	Confident	143 Å²	143	40.3 Å²	40.3	77%	0.765	22%	0.224	S	C	*	.	S	Bend	trans	54.1	40.1	173.4	-59	-38.5	0	0	0	115.3	G1093	N1091-G1093 PolarHBondContact O-N 2.88Å; N1091-G1093 VanDerWaalsContact O-N 3.16Å
1092	L	77.5	Confident	83.7	Confident	13 Å²	13	46 Å²	46	7%	0.068	24%	0.243	C	C	.	.			trans	-67.6	-14	-176.3	-64.6	177.2	0	0	0	114.4	L110 G863 L867 V1012 Q1090 F1094	L110-L1092 HydrophobicContact CB-CD1 4.2Å; L110-L1092 HydrophobicContact CD2-CD1 3.67Å; L110-L1092 HydrophobicContact CG-CD1 4.37Å; G863-L1092 WeakPolarHBondContact CA-O 3.34Å; G863-L1092 PolarHBondContact N-O 3.05Å; L867-L1092 HydrophobicContact CD1-CB 4.27Å; L867-L1092 HydrophobicContact CD1-CD2 3.81Å; L867-L1092 WeakPolarHBondContact CD1-O 3.49Å; V1012-L1092 HydrophobicContact CG2-CD1 3.94Å; V1012-L1092 HydrophobicContact CG2-CD2 3.87Å; Q1090-L1092 VanDerWaalsContact C-N 3.33Å; Q1090-L1092 PolarHBondContact O-N 3.05Å; L1092-F1094 HydrophobicContact CB-CD1 3.96Å; L1092-F1094 HydrophobicContact CB-CE1 3.69Å; L1092-F1094 HydrophobicContact CB-CZ 4.27Å; L1092-F1094 HydrophobicContact CD1-CE1 4.22Å; L1092-F1094 HydrophobicContact CD1-CZ 4.04Å; L1092-F1094 HydrophobicContact CG-CE1 4.46Å; L1092-F1094 WeakPolarHBondContact O-CD1 3.31Å; L1092-F1094 PolarHBondContact O-N 2.82Å
1093	G	76	Confident	83.8	Confident	16 Å²	16	46.1 Å²	46.1	17%	0.165	24%	0.244	C	C	.	.	S	Bend	trans	72.7	12.3	176	0	0	0	0	0	115	N1091	N1091-G1093 PolarHBondContact O-N 2.88Å; N1091-G1093 VanDerWaalsContact O-N 3.16Å
1094	F	80.3	Confident	83.8	Confident	41 Å²	41	47.2 Å²	47.2	18%	0.18	25%	0.251	C	S	.	.	S	Bend	trans	-138.3	159.4	168.9	65.1	-91	0	0	0	110.9	V864 L867 V1012 L1092 C1096	V864-F1094 HydrophobicContact CG2-CD1 3.95Å; V864-F1094 HydrophobicContact CG2-CE1 3.9Å; L867-F1094 HydrophobicContact CD1-CE1 4.36Å; V1012-F1094 HydrophobicContact CG2-CE1 4.27Å; V1012-F1094 HydrophobicContact CG2-CZ 4.1Å; L1092-F1094 HydrophobicContact CB-CD1 3.96Å; L1092-F1094 HydrophobicContact CB-CE1 3.69Å; L1092-F1094 HydrophobicContact CB-CZ 4.27Å; L1092-F1094 HydrophobicContact CD1-CE1 4.22Å; L1092-F1094 HydrophobicContact CD1-CZ 4.04Å; L1092-F1094 HydrophobicContact CG-CE1 4.46Å; L1092-F1094 WeakPolarHBondContact O-CD1 3.31Å; L1092-F1094 PolarHBondContact O-N 2.82Å; F1094-C1096 HydrophobicContact CD2-CB 3.94Å; F1094-C1096 HydrophobicContact CE2-CB 3.68Å
1095	N	83.6	Confident	83.8	Confident	74 Å²	74	46.3 Å²	46.3	40%	0.396	25%	0.247	S	C	.	.			trans	-95	127.2	176.8	-71.9	-22.7	0	0	0	110.1	P107 S108 F109	P107-N1095 PolarHBondContact O-OD1 2.96Å; S108-N1095 VanDerWaalsContact CA-OD1 3.22Å; S108-N1095 WeakPolarHBondContact CA-OD1 3.2Å; F109-N1095 VanDerWaalsContact CD1-OD1 3.3Å; F109-N1095 WeakPolarHBondContact CD1-OD1 3.31Å; F109-N1095 HydrophobicContact CE1-CB 4.21Å; F109-N1095 HydrophobicContact CZ-CB 4.37Å; F109-N1095 PolarHBondContact N-OD1 3.4Å; F109-N1095 WeakPolarHBondContact O-CA 2.96Å
1096	C	83.9	Confident	83.8	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.014	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	124.3	176.1	162.3	0	0	0	0	109.3	F109 L110 A111 C1051 F1094	F109-C1096 PolarHBondContact O-N 2.61Å; L110-C1096 WeakPolarHBondContact CA-O 3.23Å; L110-C1096 HydrophobicContact CD1-CB 3.71Å; L110-C1096 WeakPolarHBondContact CD1-SG 3.1Å; A111-C1096 PolarHBondContact N-O 2.77Å; C1051-C1096 HydrophobicContact CB-CB 3.71Å; C1051-C1096 WeakPolarHBondContact CB-SG 3.17Å; C1051-C1096 VanDerWaalsContact SG-C 3.53Å; C1051-C1096 VanDerWaalsContact SG-CA 3.51Å; C1051-C1096 WeakPolarHBondContact SG-CB 3.39Å; C1051-C1096 CovalentContact SG-SG 2.03Å; C1051-C1096 PolarHBondContact SG-SG 2.8Å; F1094-C1096 HydrophobicContact CD2-CB 3.94Å; F1094-C1096 HydrophobicContact CE2-CB 3.68Å
1097	S	88.9	Confident	83.6	Confident	46 Å²	46	49.1 Å²	49.1	32%	0.322	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	133.2	173.4	59.2	0	0	0	0	110	A111 C1051	A111-S1097 WeakPolarHBondContact O-CA 3.13Å; C1051-S1097 PolarHBondContact N-O 2.84Å; C1051-S1097 PolarHBondContact SG-N 3Å
1098	T	91.7	Very high	83.7	Confident	5 Å²	5	47.9 Å²	47.9	3%	0.031	26%	0.255	C	S	.	.			trans	-95.6	154.1	171.6	70.8	0	0	0	0	110.7	A111 V112 K113 D116 D1052	A111-T1098 PolarHBondContact O-N 3.44Å; A111-T1098 VanDerWaalsContact O-N 3.1Å; V112-T1098 HydrophobicContact CB-CG2 4.42Å; V112-T1098 HydrophobicContact CG1-CG2 4.02Å; V112-T1098 HydrophobicContact CG2-CG2 4.28Å; K113-T1098 PolarHBondContact N-OG1 2.82Å; D116-T1098 WeakPolarHBondContact OD2-CB 3.38Å; D116-T1098 PolarHBondContact OD2-OG1 3.43Å; D1052-T1098 HydrophobicContact CB-CG2 4.03Å
1099	T	92.1	Very high	84.4	Confident	50 Å²	50	45.4 Å²	45.4	31%	0.307	24%	0.244	S	C	.	.			trans	-125.2	22.3	-176.3	60.5	0	0	0	0	112.9	P1050 G1101 R1102	P1050-T1099 HydrophobicContact CB-CG2 4.25Å; P1050-T1099 HydrophobicContact CG-CG2 3.76Å; P1050-T1099 WeakPolarHBondContact CG-OG1 3.29Å; T1099-G1101 PolarHBondContact O-N 2.97Å; T1099-R1102 WeakPolarHBondContact CB-O 3.49Å; T1099-R1102 WeakPolarHBondContact O-CB 3.37Å; T1099-R1102 WeakPolarHBondContact O-CG 2.97Å; T1099-R1102 PolarHBondContact O-N 3.31Å; T1099-R1102 PolarHBondContact OG1-N 3.45Å; T1099-R1102 PolarHBondContact OG1-O 3.33Å
1100	Q	91.1	Very high	85.6	Confident	72 Å²	72	49.1 Å²	49.1	34%	0.336	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	56	37.8	-170.5	-59.4	170	-11.9	0	0	112.4	K113 Q115 D116 R1080 R1102	K113-Q1100 HydrophobicContact CB-CG 4.08Å; K113-Q1100 HydrophobicContact CG-CG 4.21Å; Q115-Q1100 HydrophobicContact CB-CG 4.48Å; D116-Q1100 VanDerWaalsContact OD1-CA 3.26Å; D116-Q1100 WeakPolarHBondContact OD1-CA 3.49Å; D116-Q1100 PolarHBondContact OD2-N 3.04Å; R1080-Q1100 VanDerWaalsContact CZ-C 3.42Å; R1080-Q1100 PolarHBondContact NH1-O 3.39Å; Q1100-R1102 PolarHBondContact O-N 2.79Å
1101	G	90.8	Very high	86.7	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	71	11.5	-179.9	0	0	0	0	0	114.8	R1080 T1099 S1138 L1139	R1080-G1101 VanDerWaalsContact CZ-CA 3.47Å; T1099-G1101 PolarHBondContact O-N 2.97Å; G1101-S1138 WeakPolarHBondContact O-CA 3.5Å; G1101-L1139 PolarHBondContact O-N 3.03Å
1102	R	93.5	Very high	87.7	Confident	143 Å²	143	40.4 Å²	40.4	54%	0.54	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	124.2	-179.7	-59.4	-177.2	84.9	-178.7	6.6	111.3	T1099 Q1100 I1136 I1137	T1099-R1102 WeakPolarHBondContact CB-O 3.49Å; T1099-R1102 WeakPolarHBondContact O-CB 3.37Å; T1099-R1102 WeakPolarHBondContact O-CG 2.97Å; T1099-R1102 PolarHBondContact O-N 3.31Å; T1099-R1102 PolarHBondContact OG1-N 3.45Å; T1099-R1102 PolarHBondContact OG1-O 3.33Å; Q1100-R1102 PolarHBondContact O-N 2.79Å; R1102-I1136 HydrophobicContact CB-CG2 3.81Å; R1102-I1136 HydrophobicContact CG-CG2 4.46Å; R1102-I1137 CarbonylContact C-O 3.57Å; R1102-I1137 VanDerWaalsContact CA-O 3.3Å; R1102-I1137 WeakPolarHBondContact CA-O 3.48Å
1103	L	93.1	Very high	88.3	Confident	7 Å²	7	44.7 Å²	44.7	4%	0.037	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	134.1	179.6	-178.7	66.8	0	0	0	110.7	L1078 L1108 I1136 I1137	L1078-L1103 HydrophobicContact CD1-CD2 3.8Å; L1103-L1108 HydrophobicContact CD1-CD1 4.47Å; L1103-I1136 WeakPolarHBondContact O-CA 3.31Å; L1103-I1137 HydrophobicContact CB-CD1 4.28Å; L1103-I1137 HydrophobicContact CB-CG1 3.88Å; L1103-I1137 HydrophobicContact CD2-CD1 4.3Å; L1103-I1137 PolarHBondContact N-O 3.44Å; L1103-I1137 VanDerWaalsContact O-CG1 3.28Å; L1103-I1137 WeakPolarHBondContact O-CG1 3.28Å; L1103-I1137 PolarHBondContact O-N 3.42Å
1104	S	91.9	Very high	89.1	Confident	32 Å²	32	45 Å²	45	22%	0.224	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	110.8	172.9	177.5	0	0	0	0	109.6	S1106	S1104-S1106 PolarHBondContact OG-OG 3.24Å
1105	V	89.7	Confident	89.7	Confident	3 Å²	3	46.4 Å²	46.4	2%	0.018	24%	0.238	C	C	.	.	S	Bend	trans	-78	-33.2	-177.3	-176.2	0	0	0	0	111.9	L1076 N1107 L1108 L1114 L1117 I1137 L1149	L1076-V1105 HydrophobicContact CD2-CG1 4.17Å; L1076-V1105 HydrophobicContact CD2-CG2 4.33Å; V1105-N1107 PolarHBondContact O-N 2.96Å; V1105-L1108 VanDerWaalsContact O-CB 3.31Å; V1105-L1108 WeakPolarHBondContact O-CB 3.12Å; V1105-L1108 PolarHBondContact O-N 3.16Å; V1105-L1108 VanDerWaalsContact O-N 3.14Å; V1105-L1114 HydrophobicContact CB-CD2 4.36Å; V1105-L1114 HydrophobicContact CG1-CD2 4.1Å; V1105-L1117 HydrophobicContact CB-CD1 4.36Å; V1105-L1117 HydrophobicContact CB-CD2 4.18Å; V1105-L1117 HydrophobicContact CG1-CD1 4.21Å; V1105-L1117 HydrophobicContact CG2-CD1 4.36Å; V1105-L1117 HydrophobicContact CG2-CD2 4.39Å; V1105-I1137 HydrophobicContact CG2-CD1 3.83Å; V1105-I1137 HydrophobicContact CG2-CG1 4.09Å; V1105-I1137 HydrophobicContact CG2-CG2 4.28Å; V1105-L1149 HydrophobicContact CG1-CD1 4.33Å; V1105-L1149 HydrophobicContact CG1-CD2 4.19Å
1106	S	85	Confident	90.3	Very high	31 Å²	31	44.6 Å²	44.6	22%	0.217	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-32.5	177.5	23	0	0	0	0	114.2	S1104 N1133 D1134	S1104-S1106 PolarHBondContact OG-OG 3.24Å; S1106-N1133 WeakPolarHBondContact CB-O 3.18Å; S1106-N1133 PolarHBondContact OG-O 2.74Å; S1106-D1134 WeakPolarHBondContact OG-CA 3.41Å
1107	N	82.2	Confident	90.8	Very high	74 Å²	74	44.5 Å²	44.5	40%	0.396	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	10.2	-178.8	-75.7	-57.2	0	0	0	112.9	K1046 S1047 V1105	K1046-N1107 WeakPolarHBondContact CB-O 3.27Å; K1046-N1107 PolarHBondContact NZ-OD1 2.92Å; S1047-N1107 PolarHBondContact OG-O 2.03Å; V1105-N1107 PolarHBondContact O-N 2.96Å
1108	L	90.7	Very high	91.2	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-48.2	-173.9	-177	57.4	0	0	0	112	L1045 K1046 I1049 L1103 V1105	L1045-L1108 CarbonylContact C-O 3.57Å; L1045-L1108 WeakPolarHBondContact CA-O 3.13Å; L1045-L1108 HydrophobicContact CD2-CD1 4.02Å; L1045-L1108 HydrophobicContact CD2-CG 4.14Å; K1046-L1108 PolarHBondContact N-O 2.96Å; I1049-L1108 HydrophobicContact CD1-CD1 3.98Å; I1049-L1108 HydrophobicContact CD1-CD2 4.47Å; I1049-L1108 HydrophobicContact CG1-CD1 3.6Å; L1103-L1108 HydrophobicContact CD1-CD1 4.47Å; V1105-L1108 VanDerWaalsContact O-CB 3.31Å; V1105-L1108 WeakPolarHBondContact O-CB 3.12Å; V1105-L1108 PolarHBondContact O-N 3.16Å; V1105-L1108 VanDerWaalsContact O-N 3.14Å
1109	F	92.8	Very high	91.5	Very high	14 Å²	14	44.7 Å²	44.7	6%	0.061	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-97.1	144.8	-175.5	-57.9	-68.6	0	0	0	112.2	L534 P1044 L1045 L1058 L1149 L1151	L534-F1109 HydrophobicContact CD2-CD1 3.72Å; L534-F1109 HydrophobicContact CD2-CE1 3.8Å; P1044-F1109 CarbonylContact O-C 3.35Å; P1044-F1109 WeakPolarHBondContact O-CA 3.45Å; L1045-F1109 HydrophobicContact CD2-CD1 3.92Å; L1045-F1109 HydrophobicContact CD2-CE1 3.94Å; L1058-F1109 HydrophobicContact CD1-CZ 4.33Å; L1058-F1109 HydrophobicContact CD2-CE1 4.17Å; L1058-F1109 HydrophobicContact CD2-CZ 3.89Å; F1109-L1149 HydrophobicContact CE2-CD1 4.44Å; F1109-L1151 HydrophobicContact CD2-CD1 4.38Å; F1109-L1151 HydrophobicContact CD2-CD2 4.28Å; F1109-L1151 HydrophobicContact CE2-CD1 4.35Å
1110	K	91.3	Very high	91.7	Very high	106 Å²	106	43.6 Å²	43.6	46%	0.461	22%	0.217	S	C	.	.	S	Bend	trans	-93	142.5	175.6	-169.5	179.5	178.7	-179.3	0	109.7	P1044 K1046 V1112	P1044-K1110 WeakPolarHBondContact O-CB 3.48Å; P1044-K1110 PolarHBondContact O-N 2.93Å; K1046-K1110 HydrophobicContact CB-CB 4.25Å; K1110-V1112 PolarHBondContact O-N 3.22Å
1111	N	86.8	Confident	92	Very high	104 Å²	104	41.1 Å²	41.1	56%	0.556	21%	0.208	S	C	*	.	S	Bend	trans	59	26.6	175.5	-53.6	-25.5	0	0	0	115	H541	H541-N1111 PolarHBondContact CD2-O 3.49Å
1112	V	89.7	Confident	92.4	Very high	13 Å²	13	41.3 Å²	41.3	8%	0.079	21%	0.209	C	C	.	.			trans	-146.8	136.3	176	-174.9	0	0	0	0	107.8	A537 K1110 L1151	A537-V1112 HydrophobicContact CB-CG1 3.93Å; A537-V1112 HydrophobicContact CB-CG2 4.28Å; K1110-V1112 PolarHBondContact O-N 3.22Å; V1112-L1151 HydrophobicContact CG1-CB 3.7Å; V1112-L1151 HydrophobicContact CG1-CD2 4.44Å; V1112-L1151 HydrophobicContact CG1-CG 4.5Å
1113	D	89.3	Confident	92.6	Very high	103 Å²	103	34.5 Å²	34.5	55%	0.551	18%	0.183	S	C	*	.			trans	-97.2	135.3	-179	-64.8	-45.5	0	0	0	111.6	H541 L1151 R1152	H541-D1113 IonicContact CE1-OD2 2.86Å; D1113-L1151 WeakPolarHBondContact O-CA 3.47Å; D1113-R1152 PolarHBondContact N-O 3.23Å; D1113-R1152 PolarHBondContact O-N 3.03Å
1114	L	92.7	Very high	92.7	Very high	22 Å²	22	34.7 Å²	34.7	12%	0.115	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	116.3	173.1	-177.2	65.7	0	0	0	110.2	V1105 L1116 L1117 N1133 L1149 L1151	V1105-L1114 HydrophobicContact CB-CD2 4.36Å; V1105-L1114 HydrophobicContact CG1-CD2 4.1Å; L1114-L1116 VanDerWaalsContact CD1-O 3.25Å; L1114-L1116 WeakPolarHBondContact CD1-O 3.42Å; L1114-L1117 HydrophobicContact CD2-CB 4.18Å; L1114-N1133 HydrophobicContact CD2-CB 4.45Å; L1114-N1133 PolarHBondContact O-ND2 2.77Å; L1114-L1149 HydrophobicContact CD1-CB 4.39Å; L1114-L1149 HydrophobicContact CD1-CD2 4.17Å; L1114-L1151 HydrophobicContact CD1-CD2 3.87Å
1115	Q	93.8	Very high	92.9	Very high	71 Å²	71	33.9 Å²	33.9	33%	0.332	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	-29.2	178.7	-58	-158.3	-29.6	0	0	113.8	N1133 K1150 R1152	Q1115-N1133 PolarHBondContact O-ND2 3.36Å; Q1115-K1150 HydrophobicContact CB-CB 4.14Å; Q1115-K1150 HydrophobicContact CB-CD 4.1Å; Q1115-K1150 HydrophobicContact CB-CG 4.18Å; Q1115-K1150 PolarHBondContact N-O 2.99Å; Q1115-R1152 HydrophobicContact CG-CB 3.98Å
1116	L	95.3	Very high	93.1	Very high	36 Å²	36	36.6 Å²	36.6	19%	0.188	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	132.8	-179.1	178	69.4	0	0	0	109	Y1073 L1114 Q1118 P1130 L1149 K1150	Y1073-L1116 HydrophobicContact CD1-CD2 4.18Å; Y1073-L1116 HydrophobicContact CE1-CD2 3.8Å; L1114-L1116 VanDerWaalsContact CD1-O 3.25Å; L1114-L1116 WeakPolarHBondContact CD1-O 3.42Å; L1116-Q1118 HydrophobicContact CD1-CB 4.39Å; L1116-Q1118 HydrophobicContact CG-CB 4.32Å; L1116-P1130 HydrophobicContact CD1-CB 3.88Å; L1116-P1130 HydrophobicContact CD1-CG 4.11Å; L1116-L1149 VanDerWaalsContact O-CA 3.29Å; L1116-L1149 WeakPolarHBondContact O-CA 3.36Å; L1116-K1150 HydrophobicContact CB-CB 3.68Å; L1116-K1150 PolarHBondContact O-N 3.44Å; L1116-K1150 VanDerWaalsContact O-N 3.09Å
1117	L	95.8	Very high	93.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	110.4	166	175.6	61.1	0	0	0	108.5	V1105 L1114 L1131 I1137 F1147 L1149	V1105-L1117 HydrophobicContact CB-CD1 4.36Å; V1105-L1117 HydrophobicContact CB-CD2 4.18Å; V1105-L1117 HydrophobicContact CG1-CD1 4.21Å; V1105-L1117 HydrophobicContact CG2-CD1 4.36Å; V1105-L1117 HydrophobicContact CG2-CD2 4.39Å; L1114-L1117 HydrophobicContact CD2-CB 4.18Å; L1117-L1131 HydrophobicContact CD2-CB 4.14Å; L1117-L1131 HydrophobicContact CD2-CD1 4.11Å; L1117-L1131 HydrophobicContact CG-CB 4.22Å; L1117-L1131 HydrophobicContact CG-CD1 4.3Å; L1117-L1131 PolarHBondContact O-N 3.15Å; L1117-I1137 HydrophobicContact CD2-CG2 4.24Å; L1117-F1147 HydrophobicContact CD1-CB 4.02Å; L1117-F1147 HydrophobicContact CD1-CD1 3.89Å; L1117-F1147 HydrophobicContact CD1-CG 4.15Å; L1117-L1149 HydrophobicContact CD1-CD2 3.37Å
1118	Q	96.8	Very high	94.2	Very high	29 Å²	29	38.6 Å²	38.6	14%	0.136	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	119.7	-177.6	-172.5	173.9	21.8	0	0	110.7	L1116 M1120 S1127 S1128 P1130 F1147 K1148	L1116-Q1118 HydrophobicContact CD1-CB 4.39Å; L1116-Q1118 HydrophobicContact CG-CB 4.32Å; Q1118-M1120 HydrophobicContact CG-SD 4.06Å; Q1118-S1127 VanDerWaalsContact NE2-CB 3.33Å; Q1118-S1127 PolarHBondContact NE2-OG 2.99Å; Q1118-S1128 WeakPolarHBondContact CG-O 3.17Å; Q1118-S1128 PolarHBondContact NE2-O 3.07Å; Q1118-P1130 HydrophobicContact CG-CG 4.29Å; Q1118-F1147 CarbonylContact O-C 3.48Å; Q1118-F1147 VanDerWaalsContact O-CA 3.28Å; Q1118-F1147 WeakPolarHBondContact O-CA 3.12Å; Q1118-K1148 HydrophobicContact CB-CB 4.34Å; Q1118-K1148 PolarHBondContact N-O 3.12Å; Q1118-K1148 PolarHBondContact O-N 3.01Å
1119	P	97.1	Very high	94.3	Very high	26 Å²	26	46.1 Å²	46.1	17%	0.169	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	140.4	173.3	-17.4	30.7	0	0	0	111	S1128 M1129 L1131 F1147	P1119-S1128 PolarHBondContact O-N 3.42Å; P1119-M1129 WeakPolarHBondContact CD-O 3.21Å; P1119-L1131 HydrophobicContact CG-CD1 3.84Å; P1119-L1131 HydrophobicContact CG-CD2 4.35Å; P1119-L1131 HydrophobicContact CG-CG 3.85Å; P1119-F1147 HydrophobicContact CB-CD1 4.19Å; P1119-F1147 HydrophobicContact CB-CE1 4.19Å; P1119-F1147 HydrophobicContact CG-CD1 4.25Å; P1119-F1147 HydrophobicContact CG-CE1 4.2Å
1120	M	97.5	Very high	94.4	Very high	28 Å²	28	48.8 Å²	48.8	14%	0.138	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	159.3	-177.2	-54.3	-64.1	-64.4	0	0	110.6	Q1118 L1124 H1126 S1127 A1146 K1148	Q1118-M1120 HydrophobicContact CG-SD 4.06Å; M1120-L1124 HydrophobicContact CB-CD2 3.89Å; M1120-L1124 HydrophobicContact CE-CB 4.45Å; M1120-L1124 WeakPolarHBondContact CE-O 2.98Å; M1120-L1124 HydrophobicContact CG-CD2 4.11Å; M1120-H1126 CarbonylContact C-O 3.43Å; M1120-H1126 VanDerWaalsContact CA-O 3.25Å; M1120-H1126 WeakPolarHBondContact CA-O 3.05Å; M1120-S1127 WeakPolarHBondContact SD-CB 2.96Å; M1120-A1146 HydrophobicContact CB-CB 4.41Å; M1120-A1146 PolarHBondContact N-O 2.78Å; M1120-K1148 HydrophobicContact CG-CB 3.69Å; M1120-K1148 HydrophobicContact SD-CB 3.85Å; M1120-K1148 HydrophobicContact SD-CD 4.39Å
1121	S	97.3	Very high	94.6	Very high	19 Å²	19	46.7 Å²	46.7	13%	0.133	26%	0.258	C	S	.	.			trans	-61.4	161.4	160.4	64.7	0	0	0	0	110.6	T1123 L1124 M1125 H1126 A1146	S1121-T1123 PolarHBondContact O-N 3.36Å; S1121-L1124 PolarHBondContact O-N 2.04Å; S1121-M1125 PolarHBondContact OG-N 3.06Å; S1121-H1126 PolarHBondContact N-O 2.75Å; S1121-H1126 PolarHBondContact OG-N 2.83Å; S1121-H1126 VanDerWaalsContact OG-N 3.1Å; S1121-A1146 WeakPolarHBondContact O-CB 3.37Å
1122	L	97.9	Very high	94.7	Very high	5 Å²	5	44.5 Å²	44.5	3%	0.026	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-36.7	-175.2	-178.6	61.2	0	0	0	113.4	I264 L300 R303 L1077 I1144	I264-L1122 HydrophobicContact CD1-CD1 4.28Å; I264-L1122 HydrophobicContact CG1-CD1 4.45Å; I264-L1122 HydrophobicContact CG1-CD2 4.24Å; I264-L1122 HydrophobicContact CG2-CD1 4.12Å; I264-L1122 HydrophobicContact CG2-CG 4.35Å; L300-L1122 HydrophobicContact CB-CD2 4.12Å; L300-L1122 HydrophobicContact CD2-CD2 3.84Å; R303-L1122 HydrophobicContact CB-CB 3.98Å; R303-L1122 HydrophobicContact CB-CD2 4.05Å; R303-L1122 WeakPolarHBondContact O-CB 3.31Å; R303-L1122 PolarHBondContact O-N 3.16Å; L1077-L1122 HydrophobicContact CD2-CD1 4.16Å; L1122-I1144 HydrophobicContact CD1-CB 4.46Å; L1122-I1144 HydrophobicContact CD1-CG2 3.6Å
1123	T	97.4	Very high	94.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	10.4	-178.2	53	0	0	0	0	114.2	L267 I268 H271 Q272 A304 S1121 M1125	L267-T1123 HydrophobicContact CB-CG2 4.2Å; L267-T1123 HydrophobicContact CD2-CG2 3.58Å; L267-T1123 HydrophobicContact CG-CG2 3.6Å; I268-T1123 HydrophobicContact CG1-CG2 4.39Å; H271-T1123 HydrophobicContact CB-CG2 4.48Å; H271-T1123 WeakPolarHBondContact ND1-CB 3.34Å; H271-T1123 PolarHBondContact ND1-OG1 3.19Å; Q272-T1123 PolarHBondContact NE2-O 3.27Å; A304-T1123 HydrophobicContact CB-CG2 3.7Å; S1121-T1123 PolarHBondContact O-N 3.36Å; T1123-M1125 PolarHBondContact O-N 3.5Å
1124	L	96.5	Very high	94.2	Very high	10 Å²	10	47.8 Å²	47.8	5%	0.052	27%	0.272	C	S	.	.	S	Bend	trans	65.4	12.1	176.5	-46.1	172.3	0	0	0	115.6	I268 I1061 A1075 M1120 S1121 A1146	I268-L1124 HydrophobicContact CG2-CD1 4.5Å; I1061-L1124 HydrophobicContact CD1-CD1 4.17Å; I1061-L1124 HydrophobicContact CG1-CD1 4.28Å; A1075-L1124 HydrophobicContact CB-CD1 3.49Å; A1075-L1124 VanDerWaalsContact CB-CD1 3.49Å; A1075-L1124 HydrophobicContact CB-CD2 3.99Å; A1075-L1124 HydrophobicContact CB-CG 4.36Å; M1120-L1124 HydrophobicContact CB-CD2 3.89Å; M1120-L1124 HydrophobicContact CE-CB 4.45Å; M1120-L1124 WeakPolarHBondContact CE-O 2.98Å; M1120-L1124 HydrophobicContact CG-CD2 4.11Å; S1121-L1124 PolarHBondContact O-N 2.04Å; L1124-A1146 HydrophobicContact CD2-CB 3.99Å
1125	M	94.7	Very high	94	Very high	15 Å²	15	48.2 Å²	48.2	7%	0.074	28%	0.276	C	S	.	.			trans	-81.9	-28.2	-178.7	-58.2	-165.6	90.6	0	0	114	H271 E275 I280 T281 S1121 T1123	H271-M1125 HydrophobicContact CB-CE 4.31Å; H271-M1125 HydrophobicContact CB-CG 3.89Å; H271-M1125 HydrophobicContact CB-SD 3.6Å; H271-M1125 VanDerWaalsContact CB-SD 3.6Å; H271-M1125 VanDerWaalsContact CG-SD 3.59Å; H271-M1125 PolarHBondContact ND1-SD 3.47Å; H271-M1125 WeakPolarHBondContact O-CE 3.42Å; E275-M1125 HydrophobicContact CB-CE 3.83Å; I280-M1125 WeakPolarHBondContact O-CE 3.39Å; T281-M1125 HydrophobicContact CG2-CB 4.18Å; T281-M1125 HydrophobicContact CG2-CE 3.45Å; T281-M1125 VanDerWaalsContact CG2-CE 3.45Å; T281-M1125 HydrophobicContact CG2-SD 3.83Å; S1121-M1125 PolarHBondContact OG-N 3.06Å; T1123-M1125 PolarHBondContact O-N 3.5Å
1126	H	95.4	Very high	93.9	Very high	61 Å²	61	49.2 Å²	49.2	28%	0.282	28%	0.283	S	S	.	.	S	Bend	trans	-118.4	127.5	-177.6	-57.1	-73.3	0	0	0	109.6	N305 M1120 S1121	N305-H1126 VanDerWaalsContact CB-CD2 3.49Å; N305-H1126 WeakPolarHBondContact CB-CD2 3.44Å; N305-H1126 PolarHBondContact ND2-NE2 2.81Å; M1120-H1126 CarbonylContact C-O 3.43Å; M1120-H1126 VanDerWaalsContact CA-O 3.25Å; M1120-H1126 WeakPolarHBondContact CA-O 3.05Å; S1121-H1126 PolarHBondContact N-O 2.75Å; S1121-H1126 PolarHBondContact OG-N 2.83Å; S1121-H1126 VanDerWaalsContact OG-N 3.1Å
1127	S	94.6	Very high	93.8	Very high	75 Å²	75	47.9 Å²	47.9	52%	0.524	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-108.5	139.8	-178.5	70.9	0	0	0	0	111.8	Q1118 M1120	Q1118-S1127 VanDerWaalsContact NE2-CB 3.33Å; Q1118-S1127 PolarHBondContact NE2-OG 2.99Å; M1120-S1127 WeakPolarHBondContact SD-CB 2.96Å
1128	S	94.3	Very high	93.7	Very high	72 Å²	72	51.5 Å²	51.5	50%	0.503	30%	0.301	S	S	.	.			trans	-90.9	175.6	165.6	-62	0	0	0	0	111.2	Q1118 P1119	Q1118-S1128 WeakPolarHBondContact CG-O 3.17Å; Q1118-S1128 PolarHBondContact NE2-O 3.07Å; P1119-S1128 PolarHBondContact O-N 3.42Å
1129	M	94.5	Very high	93.6	Very high	160 Å²	160	50.2 Å²	50.2	79%	0.788	30%	0.295	S	S	*	.	P	Polyproline II helix	trans	-56.6	135	172.7	-72.5	-66.8	-75.9	0	0	110.6	P1119 L1131	P1119-M1129 WeakPolarHBondContact CD-O 3.21Å; M1129-L1131 PolarHBondContact O-N 3.29Å
1130	P	94.8	Very high	93.5	Very high	69 Å²	69	54.7 Å²	54.7	45%	0.448	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-55.7	139.1	173.3	-25.9	34.9	0	0	0	111.9	L1116 Q1118	L1116-P1130 HydrophobicContact CD1-CB 3.88Å; L1116-P1130 HydrophobicContact CD1-CG 4.11Å; Q1118-P1130 HydrophobicContact CG-CG 4.29Å
1131	L	93.8	Very high	93.3	Very high	63 Å²	63	53.9 Å²	53.9	33%	0.33	31%	0.311	S	S	.	.	B	Isolated β-bridge	trans	-83.1	154.1	173	-60.4	178.5	0	0	0	109.7	L1117 P1119 M1129 I1137	L1117-L1131 HydrophobicContact CD2-CB 4.14Å; L1117-L1131 HydrophobicContact CD2-CD1 4.11Å; L1117-L1131 HydrophobicContact CG-CB 4.22Å; L1117-L1131 HydrophobicContact CG-CD1 4.3Å; L1117-L1131 PolarHBondContact O-N 3.15Å; P1119-L1131 HydrophobicContact CG-CD1 3.84Å; P1119-L1131 HydrophobicContact CG-CD2 4.35Å; P1119-L1131 HydrophobicContact CG-CG 3.85Å; M1129-L1131 PolarHBondContact O-N 3.29Å; L1131-I1137 HydrophobicContact CD1-CG2 4.1Å
1132	A	90.1	Very high	93.2	Very high	58 Å²	58	53.3 Å²	53.3	48%	0.479	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-60.6	142.2	167.9	0	0	0	0	0	109.3	D1134 S1135	A1132-D1134 VanDerWaalsContact CB-OD1 3.29Å; A1132-D1134 WeakPolarHBondContact CB-OD1 3.47Å; A1132-D1134 PolarHBondContact O-N 2.86Å; A1132-D1134 VanDerWaalsContact O-N 3.16Å; A1132-S1135 PolarHBondContact N-OG 2.86Å; A1132-S1135 WeakPolarHBondContact O-CB 3.43Å; A1132-S1135 PolarHBondContact O-N 3.39Å; A1132-S1135 PolarHBondContact O-OG 3Å
1133	N	83.3	Confident	93.2	Very high	61 Å²	61	54.3 Å²	54.3	33%	0.326	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-31.7	-172.2	-68.4	-15.4	0	0	0	112.3	S1106 L1114 Q1115 S1135	S1106-N1133 WeakPolarHBondContact CB-O 3.18Å; S1106-N1133 PolarHBondContact OG-O 2.74Å; L1114-N1133 HydrophobicContact CD2-CB 4.45Å; L1114-N1133 PolarHBondContact O-ND2 2.77Å; Q1115-N1133 PolarHBondContact O-ND2 3.36Å; N1133-S1135 VanDerWaalsContact C-N 3.26Å; N1133-S1135 PolarHBondContact O-N 3.13Å
1134	D	85.8	Confident	93.2	Very high	124 Å²	124	54.6 Å²	54.6	66%	0.663	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	2	176.2	63.6	-26.3	0	0	0	114.6	S1106 A1132	S1106-D1134 WeakPolarHBondContact OG-CA 3.41Å; A1132-D1134 VanDerWaalsContact CB-OD1 3.29Å; A1132-D1134 WeakPolarHBondContact CB-OD1 3.47Å; A1132-D1134 PolarHBondContact O-N 2.86Å; A1132-D1134 VanDerWaalsContact O-N 3.16Å
1135	S	87.6	Confident	93.3	Very high	30 Å²	30	55.9 Å²	55.9	21%	0.21	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-62.4	143.6	179.8	-58.3	0	0	0	0	112.5	A1132 N1133	A1132-S1135 PolarHBondContact N-OG 2.86Å; A1132-S1135 WeakPolarHBondContact O-CB 3.43Å; A1132-S1135 PolarHBondContact O-N 3.39Å; A1132-S1135 PolarHBondContact O-OG 3Å; N1133-S1135 VanDerWaalsContact C-N 3.26Å; N1133-S1135 PolarHBondContact O-N 3.13Å
1136	I	91.6	Very high	93.4	Very high	93 Å²	93	55.3 Å²	55.3	48%	0.477	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	120	168.8	-61.8	172.5	0	0	0	107.4	R1102 L1103	R1102-I1136 HydrophobicContact CB-CG2 3.81Å; R1102-I1136 HydrophobicContact CG-CG2 4.46Å; L1103-I1136 WeakPolarHBondContact O-CA 3.31Å
1137	I	93.9	Very high	93.5	Very high	7 Å²	7	53 Å²	53	4%	0.036	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	147.8	172.8	63.3	167.6	0	0	0	109.7	L1078 R1102 L1103 V1105 L1117 L1131 F1147	L1078-I1137 HydrophobicContact CD1-CD1 3.5Å; L1078-I1137 VanDerWaalsContact CD1-CD1 3.5Å; R1102-I1137 CarbonylContact C-O 3.57Å; R1102-I1137 VanDerWaalsContact CA-O 3.3Å; R1102-I1137 WeakPolarHBondContact CA-O 3.48Å; L1103-I1137 HydrophobicContact CB-CD1 4.28Å; L1103-I1137 HydrophobicContact CB-CG1 3.88Å; L1103-I1137 HydrophobicContact CD2-CD1 4.3Å; L1103-I1137 PolarHBondContact N-O 3.44Å; L1103-I1137 VanDerWaalsContact O-CG1 3.28Å; L1103-I1137 WeakPolarHBondContact O-CG1 3.28Å; L1103-I1137 PolarHBondContact O-N 3.42Å; V1105-I1137 HydrophobicContact CG2-CD1 3.83Å; V1105-I1137 HydrophobicContact CG2-CG1 4.09Å; V1105-I1137 HydrophobicContact CG2-CG2 4.28Å; L1117-I1137 HydrophobicContact CD2-CG2 4.24Å; L1131-I1137 HydrophobicContact CD1-CG2 4.1Å; I1137-F1147 HydrophobicContact CB-CZ 4.17Å; I1137-F1147 HydrophobicContact CD1-CE2 3.74Å; I1137-F1147 HydrophobicContact CD1-CZ 3.75Å; I1137-F1147 HydrophobicContact CG2-CE1 3.83Å; I1137-F1147 HydrophobicContact CG2-CZ 3.96Å
1138	S	93.8	Very high	93.7	Very high	76 Å²	76	51.9 Å²	51.9	53%	0.531	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	132.3	175.5	-162.1	0	0	0	0	108.8	G1101	G1101-S1138 WeakPolarHBondContact O-CA 3.5Å
1139	L	94.6	Very high	93.8	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	27%	0.27	C	S	.	.			trans	-119.7	134.6	178.8	-60.7	167.4	0	0	0	108.5	V1053 L1078 R1080 G1101 S1145	V1053-L1139 HydrophobicContact CG1-CD1 4.13Å; V1053-L1139 HydrophobicContact CG2-CD1 4.32Å; L1078-L1139 HydrophobicContact CB-CD1 3.92Å; L1078-L1139 HydrophobicContact CD1-CD1 4.08Å; R1080-L1139 HydrophobicContact CB-CB 3.82Å; R1080-L1139 HydrophobicContact CB-CD1 4.46Å; R1080-L1139 WeakPolarHBondContact CD-O 3.41Å; R1080-L1139 HydrophobicContact CG-CB 4.44Å; R1080-L1139 PolarHBondContact NH1-O 3.47Å; G1101-L1139 PolarHBondContact O-N 3.03Å; L1139-S1145 VanDerWaalsContact CD2-CB 3.41Å; L1139-S1145 WeakPolarHBondContact CD2-OG 3.42Å
1140	E	94	Very high	93.8	Very high	121 Å²	121	44 Å²	44	57%	0.565	25%	0.247	S	C	*	.			trans	-84.2	152	171.6	-65.4	-56	140.9	0	0	110.7	R1080 E1143	R1080-E1140 WeakPolarHBondContact CB-O 3.27Å; E1140-E1143 HydrophobicContact CB-CB 4.49Å; E1140-E1143 HydrophobicContact CB-CG 3.85Å; E1140-E1143 VanDerWaalsContact O-CB 3.32Å; E1140-E1143 WeakPolarHBondContact O-CB 3.16Å; E1140-E1143 PolarHBondContact O-N 2.76Å
1141	P	94.1	Very high	93.6	Very high	11 Å²	11	41.1 Å²	41.1	7%	0.071	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	143.1	177.7	-23.6	35.3	0	0	0	111.8	F119 A1082 E1143	F119-P1141 HydrophobicContact CB-CB 4.16Å; F119-P1141 HydrophobicContact CB-CG 3.92Å; F119-P1141 HydrophobicContact CD1-CB 3.71Å; F119-P1141 HydrophobicContact CD1-CG 4.4Å; F119-P1141 HydrophobicContact CD2-CB 3.87Å; F119-P1141 HydrophobicContact CD2-CG 3.98Å; F119-P1141 HydrophobicContact CE1-CB 3.99Å; F119-P1141 HydrophobicContact CE2-CB 4.15Å; F119-P1141 HydrophobicContact CG-CB 3.63Å; F119-P1141 HydrophobicContact CG-CG 3.84Å; F119-P1141 HydrophobicContact CZ-CB 4.2Å; A1082-P1141 HydrophobicContact CB-CB 4.12Å; P1141-E1143 PolarHBondContact O-N 3Å
1142	M	95.6	Very high	93	Very high	7 Å²	7	45.4 Å²	45.4	3%	0.034	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	-7.5	-169.7	-56.8	-59.5	-61.1	0	0	115.7	F119 W336 Y906 Q907 F1008 R1080 A1082	F119-M1142 HydrophobicContact CE1-CG 3.79Å; F119-M1142 HydrophobicContact CZ-CG 3.94Å; W336-M1142 HydrophobicContact CD2-CB 3.69Å; W336-M1142 HydrophobicContact CD2-CG 3.76Å; W336-M1142 HydrophobicContact CE3-CB 3.84Å; W336-M1142 HydrophobicContact CE3-CG 4.16Å; W336-M1142 HydrophobicContact CG-CB 4.4Å; W336-M1142 HydrophobicContact CG-CG 3.96Å; W336-M1142 HydrophobicContact CH2-CB 3.76Å; W336-M1142 HydrophobicContact CZ2-CB 3.62Å; W336-M1142 HydrophobicContact CZ2-CG 4.5Å; W336-M1142 HydrophobicContact CZ3-CB 3.88Å; Y906-M1142 HydrophobicContact CE1-CE 4.49Å; Y906-M1142 HydrophobicContact CE2-CE 4.13Å; Y906-M1142 WeakPolarHBondContact O-CE 3.41Å; Y906-M1142 PolarHBondContact OH-O 2.89Å; Q907-M1142 HydrophobicContact CB-CE 3.86Å; F1008-M1142 HydrophobicContact CD1-SD 4.18Å; F1008-M1142 HydrophobicContact CE1-CG 4.15Å; F1008-M1142 HydrophobicContact CE1-SD 3.96Å; R1080-M1142 VanDerWaalsContact O-CA 3.24Å; R1080-M1142 WeakPolarHBondContact O-CA 3.45Å; R1080-M1142 PolarHBondContact O-N 2.93Å; A1082-M1142 HydrophobicContact CB-CG 3.72Å; A1082-M1142 HydrophobicContact CB-SD 3.44Å; A1082-M1142 WeakPolarHBondContact CB-SD 3.43Å
1143	E	96.9	Very high	93.1	Very high	26 Å²	26	44.8 Å²	44.8	12%	0.121	23%	0.227	C	C	.	.			trans	-80.5	140.5	-177.5	-68.3	-62.7	166	0	0	113.8	Y299 R303 H1079 R1080 E1140 P1141	Y299-E1143 WeakPolarHBondContact OH-CA 3.33Å; Y299-E1143 PolarHBondContact OH-OE2 3.16Å; R303-E1143 IonicContact CZ-OE1 2.93Å; R303-E1143 IonicContact CZ-OE2 3.02Å; R303-E1143 IonicContact NE-OE1 3.84Å; R303-E1143 IonicContact NE-OE2 3.29Å; R303-E1143 PolarHBondContact NE-OE2 2.98Å; R303-E1143 VanDerWaalsContact NH2-CD 3.27Å; R303-E1143 IonicContact NH2-OE1 2.95Å; R303-E1143 PolarHBondContact NH2-OE1 3.47Å; R303-E1143 IonicContact NH2-OE2 3.03Å; R303-E1143 PolarHBondContact NH2-OE2 2.94Å; R303-E1143 VanDerWaalsContact NH2-OE2 3.12Å; H1079-E1143 WeakPolarHBondContact CA-O 3.48Å; R1080-E1143 PolarHBondContact N-O 3.17Å; E1140-E1143 HydrophobicContact CB-CB 4.49Å; E1140-E1143 HydrophobicContact CB-CG 3.85Å; E1140-E1143 VanDerWaalsContact O-CB 3.32Å; E1140-E1143 WeakPolarHBondContact O-CB 3.16Å; E1140-E1143 PolarHBondContact O-N 2.76Å; P1141-E1143 PolarHBondContact O-N 3Å
1144	I	98.2	Very high	93.7	Very high	6 Å²	6	43.9 Å²	43.9	3%	0.031	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	124.9	169.8	-54.4	-178.4	0	0	0	108.8	Y260 I264 Y299 L300 Y906 L1056 L1078 H1079 L1122	Y260-I1144 HydrophobicContact CD2-CD1 4.03Å; Y260-I1144 HydrophobicContact CE2-CD1 4.15Å; I264-I1144 HydrophobicContact CD1-CD1 3.88Å; Y299-I1144 HydrophobicContact CE1-CB 4.29Å; Y299-I1144 HydrophobicContact CE1-CD1 3.93Å; Y299-I1144 HydrophobicContact CE1-CG1 3.99Å; Y299-I1144 PolarHBondContact OH-N 3.47Å; L300-I1144 HydrophobicContact CD2-CD1 4.37Å; Y906-I1144 HydrophobicContact CD2-CD1 4.28Å; Y906-I1144 HydrophobicContact CE2-CD1 3.97Å; Y906-I1144 HydrophobicContact CE2-CG1 4.21Å; L1056-I1144 HydrophobicContact CD1-CD1 4.14Å; L1056-I1144 HydrophobicContact CD1-CG1 4.3Å; L1056-I1144 HydrophobicContact CD1-CG2 3.5Å; L1056-I1144 VanDerWaalsContact CD1-CG2 3.5Å; L1078-I1144 CarbonylContact O-C 3.44Å; L1078-I1144 VanDerWaalsContact O-CA 3.29Å; L1078-I1144 WeakPolarHBondContact O-CA 3.2Å; H1079-I1144 HydrophobicContact CB-CG1 4.1Å; L1122-I1144 HydrophobicContact CD1-CB 4.46Å; L1122-I1144 HydrophobicContact CD1-CG2 3.6Å
1145	S	97.4	Very high	94.1	Very high	36 Å²	36	39.4 Å²	39.4	25%	0.252	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	141.9	177.4	-66.5	0	0	0	0	111.5	L1077 L1078 L1139	L1077-S1145 WeakPolarHBondContact CA-O 3.14Å; L1078-S1145 PolarHBondContact N-O 2.9Å; L1078-S1145 PolarHBondContact O-N 3.27Å; L1139-S1145 VanDerWaalsContact CD2-CB 3.41Å; L1139-S1145 WeakPolarHBondContact CD2-OG 3.42Å
1146	A	98.1	Very high	94.5	Very high	3 Å²	3	40 Å²	40	3%	0.025	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	138.7	177.8	0	0	0	0	0	110.8	L1076 L1077 M1120 S1121 L1124	L1076-A1146 CarbonylContact O-C 3.51Å; L1076-A1146 WeakPolarHBondContact O-CA 3.3Å; L1077-A1146 HydrophobicContact CD2-CB 4.44Å; L1077-A1146 HydrophobicContact CG-CB 4.35Å; M1120-A1146 HydrophobicContact CB-CB 4.41Å; M1120-A1146 PolarHBondContact N-O 2.78Å; S1121-A1146 WeakPolarHBondContact O-CB 3.37Å; L1124-A1146 HydrophobicContact CD2-CB 3.99Å
1147	F	97.6	Very high	94.7	Very high	13 Å²	13	36.7 Å²	36.7	6%	0.057	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	138.9	178.4	-55.7	-92	0	0	0	110.3	A1075 L1076 L1078 L1117 Q1118 P1119 I1137 L1149	A1075-F1147 CarbonylContact C-O 3.5Å; A1075-F1147 WeakPolarHBondContact CA-O 3.49Å; L1076-F1147 HydrophobicContact CB-CB 4.33Å; L1076-F1147 HydrophobicContact CD2-CD2 4.44Å; L1076-F1147 PolarHBondContact N-O 2.92Å; L1076-F1147 PolarHBondContact O-N 2.99Å; L1078-F1147 HydrophobicContact CD1-CE2 4.27Å; L1117-F1147 HydrophobicContact CD1-CB 4.02Å; L1117-F1147 HydrophobicContact CD1-CD1 3.89Å; L1117-F1147 HydrophobicContact CD1-CG 4.15Å; Q1118-F1147 CarbonylContact O-C 3.48Å; Q1118-F1147 VanDerWaalsContact O-CA 3.28Å; Q1118-F1147 WeakPolarHBondContact O-CA 3.12Å; P1119-F1147 HydrophobicContact CB-CD1 4.19Å; P1119-F1147 HydrophobicContact CB-CE1 4.19Å; P1119-F1147 HydrophobicContact CG-CD1 4.25Å; P1119-F1147 HydrophobicContact CG-CE1 4.2Å; I1137-F1147 HydrophobicContact CB-CZ 4.17Å; I1137-F1147 HydrophobicContact CD1-CE2 3.74Å; I1137-F1147 HydrophobicContact CD1-CZ 3.75Å; I1137-F1147 HydrophobicContact CG2-CE1 3.83Å; I1137-F1147 HydrophobicContact CG2-CZ 3.96Å; F1147-L1149 HydrophobicContact CB-CD2 4.15Å
1148	K	97.1	Very high	94.7	Very high	51 Å²	51	38.7 Å²	38.7	22%	0.222	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	120.3	167.7	-179.7	176.7	-175.6	174.7	0	108.9	I1061 Y1073 Q1118 M1120	I1061-K1148 HydrophobicContact CD1-CD 4.4Å; I1061-K1148 HydrophobicContact CD1-CG 3.98Å; Y1073-K1148 HydrophobicContact CD1-CD 4.47Å; Y1073-K1148 HydrophobicContact CD1-CG 4.24Å; Y1073-K1148 HydrophobicContact CG-CD 4.46Å; Y1073-K1148 HydrophobicContact CG-CG 4.35Å; Q1118-K1148 HydrophobicContact CB-CB 4.34Å; Q1118-K1148 PolarHBondContact N-O 3.12Å; Q1118-K1148 PolarHBondContact O-N 3.01Å; M1120-K1148 HydrophobicContact CG-CB 3.69Å; M1120-K1148 HydrophobicContact SD-CB 3.85Å; M1120-K1148 HydrophobicContact SD-CD 4.39Å
1149	L	96.3	Very high	94.8	Very high	0 Å²	0	36 Å²	36	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	149.8	179.6	-52.3	-172.5	0	0	0	110.9	L1058 Y1073 T1074 L1076 V1105 F1109 L1114 L1116 L1117 F1147 L1151	L1058-L1149 HydrophobicContact CD1-CD1 4.36Å; Y1073-L1149 CarbonylContact C-O 3.59Å; Y1073-L1149 WeakPolarHBondContact CA-O 3.3Å; T1074-L1149 PolarHBondContact N-O 3.06Å; T1074-L1149 PolarHBondContact O-N 2.96Å; L1076-L1149 HydrophobicContact CB-CD1 3.72Å; L1076-L1149 HydrophobicContact CB-CG 3.98Å; L1076-L1149 HydrophobicContact CD2-CD1 4.04Å; L1076-L1149 HydrophobicContact CG-CD1 4.41Å; V1105-L1149 HydrophobicContact CG1-CD1 4.33Å; V1105-L1149 HydrophobicContact CG1-CD2 4.19Å; F1109-L1149 HydrophobicContact CE2-CD1 4.44Å; L1114-L1149 HydrophobicContact CD1-CB 4.39Å; L1114-L1149 HydrophobicContact CD1-CD2 4.17Å; L1116-L1149 VanDerWaalsContact O-CA 3.29Å; L1116-L1149 WeakPolarHBondContact O-CA 3.36Å; L1117-L1149 HydrophobicContact CD1-CD2 3.37Å; F1147-L1149 HydrophobicContact CB-CD2 4.15Å; L1149-L1151 HydrophobicContact CB-CD2 4.48Å; L1149-L1151 HydrophobicContact CB-CG 4.32Å; L1149-L1151 HydrophobicContact CD1-CD2 4.46Å
1150	K	95	Very high	94.8	Very high	68 Å²	68	38.6 Å²	38.6	30%	0.296	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	114.1	160.1	-171.8	-177.2	-179.7	-161.9	0	108.4	Y1073 Q1115 L1116	Y1073-K1150 HydrophobicContact CD1-CB 3.92Å; Y1073-K1150 HydrophobicContact CD1-CG 4.34Å; Y1073-K1150 HydrophobicContact CE1-CB 4.05Å; Y1073-K1150 HydrophobicContact CE1-CD 4.11Å; Y1073-K1150 HydrophobicContact CE1-CG 4.28Å; Q1115-K1150 HydrophobicContact CB-CB 4.14Å; Q1115-K1150 HydrophobicContact CB-CD 4.1Å; Q1115-K1150 HydrophobicContact CB-CG 4.18Å; Q1115-K1150 PolarHBondContact N-O 2.99Å; L1116-K1150 HydrophobicContact CB-CB 3.68Å; L1116-K1150 PolarHBondContact O-N 3.44Å; L1116-K1150 VanDerWaalsContact O-N 3.09Å
1151	L	90.8	Very high	94.9	Very high	7 Å²	7	31.8 Å²	31.8	4%	0.037	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	131.3	-176.9	-63.4	-179.5	0	0	0	109.1	A537 F1109 V1112 D1113 L1114 L1149	A537-L1151 HydrophobicContact CB-CB 3.97Å; A537-L1151 HydrophobicContact CB-CD1 4.43Å; F1109-L1151 HydrophobicContact CD2-CD1 4.38Å; F1109-L1151 HydrophobicContact CD2-CD2 4.28Å; F1109-L1151 HydrophobicContact CE2-CD1 4.35Å; V1112-L1151 HydrophobicContact CG1-CB 3.7Å; V1112-L1151 HydrophobicContact CG1-CD2 4.44Å; V1112-L1151 HydrophobicContact CG1-CG 4.5Å; D1113-L1151 WeakPolarHBondContact O-CA 3.47Å; L1114-L1151 HydrophobicContact CD1-CD2 3.87Å; L1149-L1151 HydrophobicContact CB-CD2 4.48Å; L1149-L1151 HydrophobicContact CB-CG 4.32Å; L1149-L1151 HydrophobicContact CD1-CD2 4.46Å
1152	R	81.4	Confident	94.9	Very high	153 Å²	153	33.6 Å²	33.6	58%	0.577	15%	0.15	S	C	*	.			trans	-129.7	0	-179.6	-172.3	174.1	-177.4	-179.6	-0.9	114.3	H541 D1113 Q1115	H541-R1152 WeakPolarHBondContact CA-OXT 3.43Å; H541-R1152 WeakPolarHBondContact CB-OXT 3.5Å; H541-R1152 PolarHBondContact N-OXT 3.15Å; H541-R1152 PolarHBondContact ND1-O 2.81Å; H541-R1152 PolarHBondContact ND1-OXT 3.14Å; D1113-R1152 PolarHBondContact N-O 3.23Å; D1113-R1152 PolarHBondContact O-N 3.03Å; Q1115-R1152 HydrophobicContact CG-CB 3.98Å

Retrieved 1,152 of 1,152 residues in 374.1 ms (Link to these results)

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