A0A087XAN8_POEFO Loading...

Transforming growth factor-beta-induced protein ig-h3

Plays a role in cell adhesion. May play a role in cell-collagen interactions.

AlphaFold DB , UniProt , Accession A0A087XAN8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 671 aa.

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(Predicted Aligned Error values between residue pairs)

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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	44.3	Very low	36.5	Very low	240 Å²	240	144.5 Å²	144.5	100%	1.182	77%	0.768	S	S	*	*				0	56.4	0	-66.8	163.6	75.7	0	0	111.9
2	K	38.7	Very low	36.1	Very low	204 Å²	204	145.9 Å²	145.9	89%	0.887	77%	0.771	S	S	*	*			trans	-145.7	20.6	179.7	-93.7	-174.2	178.7	179.6	0	113.9
3	S	37.5	Very low	35.9	Very low	105 Å²	105	144 Å²	144	73%	0.734	77%	0.768	S	S	*	*	S	Bend	trans	-125.4	17	-179.9	-150.8	0	0	0	0	113.8
4	W	35.1	Very low	35.8	Very low	241 Å²	241	145 Å²	145	91%	0.913	77%	0.772	S	S	*	*	S	Bend	trans	-126.6	23.4	-176.6	-121.1	56.5	0	0	0	113
5	L	38.5	Very low	35.9	Very low	144 Å²	144	140.2 Å²	140.2	75%	0.754	76%	0.761	S	S	*	*	S	Bend	trans	-125.8	-7.8	178.2	-91.1	153.4	0	0	0	113.5
6	L	36.7	Very low	35.9	Very low	145 Å²	145	143.2 Å²	143.2	76%	0.759	77%	0.771	S	S	*	*	S	Bend	trans	-99.9	-13.9	-179	-89.7	147.7	0	0	0	114.2
7	V	36.1	Very low	35.9	Very low	112 Å²	112	142.2 Å²	142.2	68%	0.679	78%	0.776	S	S	*	*	H	α-helix	trans	-87.6	-23.3	179.3	-177.7	0	0	0	0	112.3
8	S	37.2	Very low	36.3	Very low	92 Å²	92	137.5 Å²	137.5	64%	0.643	77%	0.766	S	S	*	*	H	α-helix	trans	-85.7	-14.9	178.7	-61.5	0	0	0	0	114.7
9	V	34.4	Very low	37.3	Very low	101 Å²	101	136.7 Å²	136.7	61%	0.612	77%	0.771	S	S	*	*	H	α-helix	trans	-90	-28.8	178.4	-178.3	0	0	0	0	111.7
10	L	32.1	Very low	39	Very low	135 Å²	135	137.1 Å²	137.1	71%	0.707	76%	0.759	S	S	*	*	H	α-helix	trans	-81.7	-23.1	178.3	-145.2	76.6	0	0	0	113.3	M12	L10-M12 VanDerWaalsContact C-N 3.31Å
11	A	31.2	Very low	41	Very low	70 Å²	70	131.5 Å²	131.5	58%	0.579	73%	0.73	S	S	*	*	S	Bend	trans	-78.4	-13.8	172.5	0	0	0	0	0	113.4
12	M	32	Very low	43	Very low	162 Å²	162	122.3 Å²	122.3	80%	0.798	69%	0.688	S	S	*	*	S	Bend	trans	-94.2	-7.6	-179.9	-142.9	172.7	-169.1	0	0	113.7	L10	L10-M12 VanDerWaalsContact C-N 3.31Å
13	V	32.4	Very low	45.2	Very low	121 Å²	121	113 Å²	113	73%	0.733	65%	0.647	S	S	*	*	S	Bend	trans	-97.8	-11.1	176.3	179.9	0	0	0	0	112.7
14	L	35.2	Very low	47.5	Very low	158 Å²	158	110.2 Å²	110.2	83%	0.827	62%	0.623	S	S	*	*	S	Bend	trans	-101.8	10.4	177.7	-86.9	157.9	0	0	0	114.4
15	A	37.8	Very low	50	Low	73 Å²	73	102.2 Å²	102.2	60%	0.603	60%	0.601	S	S	*	*	S	Bend	trans	-121.6	48.4	-179.5	0	0	0	0	0	112.8
16	M	34.9	Very low	52.3	Low	188 Å²	188	95.6 Å²	95.6	93%	0.926	57%	0.566	S	S	*	*			trans	-146.6	49.8	158.7	-76.1	-142.5	156.5	0	0	111.8	G18	M16-G18 PolarHBondContact O-N 3.19Å
17	C	35.7	Very low	54.8	Low	126 Å²	126	89.4 Å²	89.4	85%	0.851	53%	0.534	S	S	*	.			trans	-86.3	75.4	152.1	-126.2	0	0	0	0	106.5	S19	C17-S19 PolarHBondContact O-N 3.11Å
18	G	43.2	Very low	57.3	Low	58 Å²	58	87.8 Å²	87.8	60%	0.598	52%	0.519	S	S	*	.			trans	-53.2	132.2	166.8	0	0	0	0	0	108.1	M16 R20	M16-G18 PolarHBondContact O-N 3.19Å; G18-R20 PolarHBondContact O-N 3.38Å
19	S	55.2	Low	59.8	Low	123 Å²	123	84.4 Å²	84.4	86%	0.86	49%	0.493	S	S	*	.			trans	-53.4	112	174.1	55.1	0	0	0	0	108.3	C17 S21	C17-S19 PolarHBondContact O-N 3.11Å; S19-S21 PolarHBondContact O-N 3.36Å
20	R	71.6	Confident	62.5	Low	144 Å²	144	79.7 Å²	79.7	54%	0.543	46%	0.464	S	S	.	.			trans	-59.4	137.6	179.3	-72.5	-177.2	177.1	166.4	2.8	109.5	G18 Q24 Q28	G18-R20 PolarHBondContact O-N 3.38Å; R20-Q24 VanDerWaalsContact CA-OE1 3.24Å; R20-Q24 HydrophobicContact CB-CB 4.26Å; R20-Q28 VanDerWaalsContact NH1-NE2 3.14Å
21	S	82.4	Confident	65.3	Low	19 Å²	19	78.6 Å²	78.6	13%	0.133	45%	0.451	C	S	.	.			trans	-64.1	154.9	176.5	80.6	0	0	0	0	110.4	S19 Y23 Q24 T25	S19-S21 PolarHBondContact O-N 3.36Å; S21-Y23 PolarHBondContact O-N 3.03Å; S21-Q24 PolarHBondContact O-N 3.17Å; S21-Q24 VanDerWaalsContact O-N 3.12Å; S21-Q24 WeakPolarHBondContact OG-CG 3.47Å; S21-Q24 PolarHBondContact OG-N 3.17Å; S21-T25 PolarHBondContact O-N 2.98Å; S21-T25 PolarHBondContact O-OG1 2.93Å; S21-T25 VanDerWaalsContact O-OG1 3.05Å
22	P	84.3	Confident	68.2	Low	48 Å²	48	80.4 Å²	80.4	31%	0.312	45%	0.449	S	S	.	.	H	α-helix	trans	-52.5	-44.3	175.1	-26.1	31.5	0	0	0	112	Q24 T25 V26 H196 Y197	P22-Q24 PolarHBondContact O-N 3.18Å; P22-T25 WeakPolarHBondContact O-CB 3.3Å; P22-T25 PolarHBondContact O-N 2.97Å; P22-V26 WeakPolarHBondContact O-CG2 3.26Å; P22-V26 PolarHBondContact O-N 2.9Å; P22-H196 WeakPolarHBondContact CB-NE2 3.37Å; P22-H196 VanDerWaalsContact CD-CE1 3.5Å; P22-H196 WeakPolarHBondContact CD-CE1 3.44Å; P22-Y197 WeakPolarHBondContact CB-O 3.1Å
23	Y	85.9	Confident	71.1	Confident	8 Å²	8	76.4 Å²	76.4	3%	0.031	43%	0.426	C	S	.	.	H	α-helix	trans	-55.8	-50.8	173.7	173.5	-104.7	0	0	0	112.8	S21 T25 V26 L27 F55 S174 H196 V202 P212	S21-Y23 PolarHBondContact O-N 3.03Å; Y23-T25 PolarHBondContact O-N 2.9Å; Y23-V26 PolarHBondContact O-N 3.29Å; Y23-V26 VanDerWaalsContact O-N 3.11Å; Y23-L27 HydrophobicContact CE1-CB 4.42Å; Y23-L27 HydrophobicContact CE1-CD2 4.05Å; Y23-L27 WeakPolarHBondContact O-CB 3.19Å; Y23-L27 PolarHBondContact O-N 2.91Å; Y23-F55 HydrophobicContact CE2-CD2 4.04Å; Y23-F55 HydrophobicContact CE2-CE2 4.34Å; Y23-S174 WeakPolarHBondContact CD1-OG 3.48Å; Y23-H196 WeakPolarHBondContact CB-NE2 3.09Å; Y23-H196 PolarHBondContact N-CE1 2.97Å; Y23-H196 PolarHBondContact N-NE2 3.47Å; Y23-V202 HydrophobicContact CG-CG2 4.49Å; Y23-P212 HydrophobicContact CE1-CB 4.23Å; Y23-P212 HydrophobicContact CE1-CG 3.87Å; Y23-P212 HydrophobicContact CE2-CG 3.69Å; Y23-P212 WeakPolarHBondContact OH-CG 3.39Å
24	Q	85.3	Confident	73.9	Confident	47 Å²	47	70.7 Å²	70.7	22%	0.22	39%	0.391	C	S	.	.	H	α-helix	trans	-59.5	-38.1	178.4	-76.5	179.8	-36.5	0	0	112.3	R20 S21 P22 V26 L27 Q28 E175	R20-Q24 VanDerWaalsContact CA-OE1 3.24Å; R20-Q24 HydrophobicContact CB-CB 4.26Å; S21-Q24 PolarHBondContact O-N 3.17Å; S21-Q24 VanDerWaalsContact O-N 3.12Å; S21-Q24 WeakPolarHBondContact OG-CG 3.47Å; S21-Q24 PolarHBondContact OG-N 3.17Å; P22-Q24 PolarHBondContact O-N 3.18Å; Q24-V26 VanDerWaalsContact C-N 3.32Å; Q24-L27 PolarHBondContact O-N 3.06Å; Q24-Q28 VanDerWaalsContact O-CB 3.3Å; Q24-Q28 WeakPolarHBondContact O-CB 3.45Å; Q24-Q28 PolarHBondContact O-N 2.7Å; Q24-E175 HydrophobicContact CG-CG 4.41Å; Q24-E175 VanDerWaalsContact NE2-CG 3.34Å; Q24-E175 PolarHBondContact NE2-OE1 3.27Å
25	T	87.2	Confident	76.6	Confident	72 Å²	72	73.1 Å²	73.1	44%	0.442	39%	0.389	S	S	.	.	H	α-helix	trans	-62.6	-43.7	177.9	-57.5	0	0	0	0	110.5	S21 P22 Y23 H29	S21-T25 PolarHBondContact O-N 2.98Å; S21-T25 PolarHBondContact O-OG1 2.93Å; S21-T25 VanDerWaalsContact O-OG1 3.05Å; P22-T25 WeakPolarHBondContact O-CB 3.3Å; P22-T25 PolarHBondContact O-N 2.97Å; Y23-T25 PolarHBondContact O-N 2.9Å; T25-H29 PolarHBondContact O-N 3.13Å
26	V	87.8	Confident	79.2	Confident	6 Å²	6	77.3 Å²	77.3	4%	0.036	40%	0.396	C	S	.	.	H	α-helix	trans	-71.6	-39.3	178.2	-175.8	0	0	0	0	111.8	P22 Y23 Q24 H29 S30 F55 T56 N57	P22-V26 WeakPolarHBondContact O-CG2 3.26Å; P22-V26 PolarHBondContact O-N 2.9Å; Y23-V26 PolarHBondContact O-N 3.29Å; Y23-V26 VanDerWaalsContact O-N 3.11Å; Q24-V26 VanDerWaalsContact C-N 3.32Å; V26-H29 WeakPolarHBondContact O-CB 3.3Å; V26-H29 PolarHBondContact O-N 3.15Å; V26-S30 WeakPolarHBondContact O-CB 3.31Å; V26-S30 PolarHBondContact O-N 2.96Å; V26-F55 HydrophobicContact CG1-CB 3.59Å; V26-F55 WeakPolarHBondContact CG1-O 3.4Å; V26-T56 VanDerWaalsContact CG1-C 3.42Å; V26-N57 HydrophobicContact CG2-CB 4.11Å
27	L	88.3	Confident	82	Confident	15 Å²	15	72.3 Å²	72.3	8%	0.079	37%	0.37	C	S	.	.	H	α-helix	trans	-62.7	-42.9	174.7	-179.3	64.6	0	0	0	111.5	Y23 Q24 H29 S30 R31 F55 P79	Y23-L27 HydrophobicContact CE1-CB 4.42Å; Y23-L27 HydrophobicContact CE1-CD2 4.05Å; Y23-L27 WeakPolarHBondContact O-CB 3.19Å; Y23-L27 PolarHBondContact O-N 2.91Å; Q24-L27 PolarHBondContact O-N 3.06Å; L27-H29 VanDerWaalsContact C-N 3.35Å; L27-S30 WeakPolarHBondContact O-CB 3.43Å; L27-S30 PolarHBondContact O-N 3.2Å; L27-R31 WeakPolarHBondContact O-CG 3.17Å; L27-R31 PolarHBondContact O-N 3.05Å; L27-F55 HydrophobicContact CD1-CD1 4.47Å; L27-F55 HydrophobicContact CD1-CE1 4.05Å; L27-F55 HydrophobicContact CD1-CZ 4.22Å; L27-P79 HydrophobicContact CD1-CG 4.48Å
28	Q	89.4	Confident	84.7	Confident	78 Å²	78	66.8 Å²	66.8	36%	0.364	34%	0.335	S	S	.	.	H	α-helix	trans	-62	-44.5	174.9	-175.1	-167.1	-2.5	0	0	111	R20 Q24 S30 R31 I32	R20-Q28 VanDerWaalsContact NH1-NE2 3.14Å; Q24-Q28 VanDerWaalsContact O-CB 3.3Å; Q24-Q28 WeakPolarHBondContact O-CB 3.45Å; Q24-Q28 PolarHBondContact O-N 2.7Å; Q28-S30 VanDerWaalsContact C-N 3.3Å; Q28-S30 PolarHBondContact O-N 3.14Å; Q28-R31 PolarHBondContact O-N 3.36Å; Q28-I32 HydrophobicContact CG-CD1 4.17Å; Q28-I32 WeakPolarHBondContact O-CG1 3.44Å; Q28-I32 PolarHBondContact O-N 3.45Å
29	H	90.3	Very high	87	Confident	20 Å²	20	67.3 Å²	67.3	9%	0.093	33%	0.328	C	S	.	.	H	α-helix	trans	-57.1	-46.4	174.1	176.7	-108.8	0	0	0	110.9	T25 V26 L27 R31 I32 R33 T56 C58 W61	T25-H29 PolarHBondContact O-N 3.13Å; V26-H29 WeakPolarHBondContact O-CB 3.3Å; V26-H29 PolarHBondContact O-N 3.15Å; L27-H29 VanDerWaalsContact C-N 3.35Å; H29-R31 PolarHBondContact O-N 3.26Å; H29-I32 PolarHBondContact O-N 2.97Å; H29-R33 PolarHBondContact NE2-NE 3.19Å; H29-R33 PolarHBondContact NE2-NH2 3.45Å; H29-R33 WeakPolarHBondContact O-CG 3.49Å; H29-R33 PolarHBondContact O-N 3.48Å; H29-R33 VanDerWaalsContact O-N 3.08Å; H29-T56 PolarHBondContact ND1-O 3.07Å; H29-C58 PolarHBondContact CD2-SG 3.21Å; H29-C58 PolarHBondContact NE2-SG 2.88Å; H29-C58 VanDerWaalsContact NE2-SG 3.42Å; H29-W61 AromaticContact CE1-CG 3.91Å
30	S	90.4	Very high	88.8	Confident	2 Å²	2	64 Å²	64	1%	0.014	30%	0.301	C	S	.	.	H	α-helix	trans	-57.7	-45.1	176.2	177.4	0	0	0	0	113	V26 L27 Q28 I32 R33 G34 C42 A43	V26-S30 WeakPolarHBondContact O-CB 3.31Å; V26-S30 PolarHBondContact O-N 2.96Å; L27-S30 WeakPolarHBondContact O-CB 3.43Å; L27-S30 PolarHBondContact O-N 3.2Å; Q28-S30 VanDerWaalsContact C-N 3.3Å; Q28-S30 PolarHBondContact O-N 3.14Å; S30-I32 PolarHBondContact O-N 3.5Å; S30-R33 PolarHBondContact O-N 3.02Å; S30-G34 PolarHBondContact O-N 3.41Å; S30-C42 WeakPolarHBondContact OG-CB 3.41Å; S30-A43 WeakPolarHBondContact CB-O 3.3Å; S30-A43 PolarHBondContact O-N 3.47Å; S30-A43 PolarHBondContact OG-N 2.81Å; S30-A43 PolarHBondContact OG-O 3.45Å
31	R	91.9	Very high	89.8	Confident	113 Å²	113	57.6 Å²	57.6	43%	0.426	28%	0.278	S	S	.	.	H	α-helix	trans	-59.7	-44.6	175.3	-75.8	174.6	178	172.8	0.2	112.3	L27 Q28 H29 R33 G34 R35 C78	L27-R31 WeakPolarHBondContact O-CG 3.17Å; L27-R31 PolarHBondContact O-N 3.05Å; Q28-R31 PolarHBondContact O-N 3.36Å; H29-R31 PolarHBondContact O-N 3.26Å; R31-R33 VanDerWaalsContact C-N 3.29Å; R31-R33 PolarHBondContact O-N 2.79Å; R31-G34 PolarHBondContact O-N 3.04Å; R31-R35 PolarHBondContact O-N 3.1Å; R31-C78 VanDerWaalsContact CG-SG 3.53Å
32	I	91.8	Very high	90.3	Very high	107 Å²	107	56.8 Å²	56.8	55%	0.549	27%	0.272	S	S	.	.	H	α-helix	trans	-60.8	-41.6	178.2	-68.7	165.8	0	0	0	110.5	Q28 H29 S30	Q28-I32 HydrophobicContact CG-CD1 4.17Å; Q28-I32 WeakPolarHBondContact O-CG1 3.44Å; Q28-I32 PolarHBondContact O-N 3.45Å; H29-I32 PolarHBondContact O-N 2.97Å; S30-I32 PolarHBondContact O-N 3.5Å
33	R	92.2	Very high	90.7	Very high	79 Å²	79	54.5 Å²	54.5	30%	0.298	26%	0.257	S	S	.	.	H	α-helix	trans	-71.7	-30.1	177.8	-62	-56.2	-179.2	171.6	4.8	113.4	H29 S30 R31 A43 W61 Y62	H29-R33 PolarHBondContact NE2-NE 3.19Å; H29-R33 PolarHBondContact NE2-NH2 3.45Å; H29-R33 WeakPolarHBondContact O-CG 3.49Å; H29-R33 PolarHBondContact O-N 3.48Å; H29-R33 VanDerWaalsContact O-N 3.08Å; S30-R33 PolarHBondContact O-N 3.02Å; R31-R33 VanDerWaalsContact C-N 3.29Å; R31-R33 PolarHBondContact O-N 2.79Å; R33-A43 HydrophobicContact CB-CB 3.72Å; R33-W61 HydrophobicContact CB-CH2 4.11Å; R33-W61 HydrophobicContact CB-CZ2 4Å; R33-W61 HydrophobicContact CG-CH2 4.37Å; R33-W61 HydrophobicContact CG-CZ2 3.99Å; R33-Y62 PolarHBondContact NH2-OH 2.99Å
34	G	91.5	Very high	90.9	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-81.2	-16.8	178.7	0	0	0	0	0	114.7	S30 R31 Q36 Q37 V41	S30-G34 PolarHBondContact O-N 3.41Å; R31-G34 PolarHBondContact O-N 3.04Å; G34-Q36 PolarHBondContact O-N 3.24Å; G34-Q37 WeakPolarHBondContact O-CB 3.41Å; G34-Q37 PolarHBondContact O-N 2.85Å; G34-V41 WeakPolarHBondContact CA-O 3.47Å
35	R	92.2	Very high	91.2	Very high	210 Å²	210	52.4 Å²	52.4	79%	0.792	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-51.4	-32.6	-171.6	-170.3	177.2	-179.6	-177.4	0.7	115.3	R31 Q37 G38	R31-R35 PolarHBondContact O-N 3.1Å; R35-Q37 VanDerWaalsContact C-N 3.27Å; R35-Q37 PolarHBondContact O-N 2.95Å; R35-G38 PolarHBondContact O-N 3.14Å
36	Q	91.8	Very high	91.4	Very high	161 Å²	161	50.7 Å²	50.7	75%	0.752	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-69.8	-24.3	179.3	-66.7	-178.3	-11.4	0	0	113.4	G34 G38 K88	G34-Q36 PolarHBondContact O-N 3.24Å; Q36-G38 VanDerWaalsContact C-N 3.33Å; Q36-K88 WeakPolarHBondContact O-CE 3.36Å; Q36-K88 PolarHBondContact O-NZ 3.37Å
37	Q	93.1	Very high	91.6	Very high	82 Å²	82	50.8 Å²	50.8	38%	0.383	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-81.9	-13.2	179.9	-59.4	-59.4	-23.4	0	0	113	G34 R35 V41 Y75 K88	G34-Q37 WeakPolarHBondContact O-CB 3.41Å; G34-Q37 PolarHBondContact O-N 2.85Å; R35-Q37 VanDerWaalsContact C-N 3.27Å; R35-Q37 PolarHBondContact O-N 2.95Å; Q37-V41 HydrophobicContact CB-CB 4.16Å; Q37-V41 HydrophobicContact CB-CG1 3.8Å; Q37-V41 HydrophobicContact CB-CG2 4.22Å; Q37-V41 HydrophobicContact CG-CG1 4.5Å; Q37-Y75 HydrophobicContact CB-CD1 4.38Å; Q37-Y75 HydrophobicContact CB-CG 4.49Å; Q37-Y75 HydrophobicContact CG-CD1 3.51Å; Q37-Y75 HydrophobicContact CG-CD2 3.9Å; Q37-Y75 HydrophobicContact CG-CE1 3.67Å; Q37-Y75 HydrophobicContact CG-CE2 4.06Å; Q37-Y75 HydrophobicContact CG-CG 3.62Å; Q37-K88 VanDerWaalsContact C-CE 3.48Å; Q37-K88 WeakPolarHBondContact O-CE 3.48Å; Q37-K88 VanDerWaalsContact O-CG 3.26Å; Q37-K88 WeakPolarHBondContact O-CG 3.31Å
38	G	92.3	Very high	91.8	Very high	11 Å²	11	56 Å²	56	11%	0.113	26%	0.257	C	S	.	.			trans	136.4	178.5	176	0	0	0	0	0	112.8	R35 Q36	R35-G38 PolarHBondContact O-N 3.14Å; Q36-G38 VanDerWaalsContact C-N 3.33Å
39	P	93.1	Very high	91.7	Very high	68 Å²	68	56.5 Å²	56.5	44%	0.442	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	143.5	174.9	27	-35.9	0	0	0	111.3	V41 K88 C90 P91	P39-V41 PolarHBondContact O-N 2.85Å; P39-K88 WeakPolarHBondContact CD-O 3.24Å; P39-C90 PolarHBondContact O-N 2.99Å; P39-P91 HydrophobicContact CG-CB 4.24Å
40	N	91.8	Very high	91.6	Very high	55 Å²	55	57.8 Å²	57.8	29%	0.294	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	30.1	176.4	-42.3	-53.7	0	0	0	115.6	C78 Y81 C90	N40-C78 WeakPolarHBondContact O-CB 3.15Å; N40-C78 PolarHBondContact O-N 3.42Å; N40-C78 PolarHBondContact O-SG 3Å; N40-C78 VanDerWaalsContact O-SG 3.35Å; N40-Y81 HydrophobicContact CB-CD1 3.68Å; N40-Y81 HydrophobicContact CB-CD2 3.72Å; N40-Y81 HydrophobicContact CB-CE1 4.08Å; N40-Y81 HydrophobicContact CB-CE2 4.11Å; N40-Y81 HydrophobicContact CB-CG 3.48Å; N40-Y81 VanDerWaalsContact CB-CG 3.48Å; N40-Y81 VanDerWaalsContact CG-CD1 3.44Å; N40-Y81 WeakPolarHBondContact ND2-CD1 3.28Å; N40-Y81 WeakPolarHBondContact ND2-CE1 3.28Å; N40-C90 HydrophobicContact CB-CB 4.28Å; N40-C90 WeakPolarHBondContact CB-O 3.2Å; N40-C90 PolarHBondContact ND2-O 3.49Å
41	V	93.4	Very high	91.4	Very high	9 Å²	9	63.9 Å²	63.9	6%	0.055	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	133	171	-177.3	0	0	0	0	109.9	G34 Q37 P39 Y75 E76 G89	G34-V41 WeakPolarHBondContact CA-O 3.47Å; Q37-V41 HydrophobicContact CB-CB 4.16Å; Q37-V41 HydrophobicContact CB-CG1 3.8Å; Q37-V41 HydrophobicContact CB-CG2 4.22Å; Q37-V41 HydrophobicContact CG-CG1 4.5Å; P39-V41 PolarHBondContact O-N 2.85Å; V41-Y75 HydrophobicContact CG1-CD1 4.14Å; V41-Y75 HydrophobicContact CG1-CG 4.42Å; V41-E76 WeakPolarHBondContact CA-O 3.1Å; V41-G89 VanDerWaalsContact CG2-CA 3.49Å
42	C	92	Very high	91.1	Very high	1 Å²	1	61 Å²	61	1%	0.007	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	133.8	176.4	-85	0	0	0	0	109.6	S30 F55 Y75 E76 C78	S30-C42 WeakPolarHBondContact OG-CB 3.41Å; C42-F55 HydrophobicContact CB-CE1 4.06Å; C42-Y75 WeakPolarHBondContact O-CA 3.47Å; C42-E76 PolarHBondContact N-O 3.49Å; C42-E76 PolarHBondContact O-N 3.33Å; C42-C78 VanDerWaalsContact CA-SG 3.54Å; C42-C78 HydrophobicContact CB-CB 4.1Å; C42-C78 WeakPolarHBondContact CB-SG 3.34Å; C42-C78 PolarHBondContact N-SG 3.49Å; C42-C78 WeakPolarHBondContact SG-CA 3.35Å; C42-C78 WeakPolarHBondContact SG-CB 3.45Å; C42-C78 CovalentContact SG-SG 2.04Å; C42-C78 PolarHBondContact SG-SG 3.18Å
43	A	92.6	Very high	91	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.008	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	130.8	175	0	0	0	0	0	110.8	S30 R33 W61 I73 T74 Y75	S30-A43 WeakPolarHBondContact CB-O 3.3Å; S30-A43 PolarHBondContact O-N 3.47Å; S30-A43 PolarHBondContact OG-N 2.81Å; S30-A43 PolarHBondContact OG-O 3.45Å; R33-A43 HydrophobicContact CB-CB 3.72Å; A43-W61 HydrophobicContact CB-CH2 3.57Å; A43-W61 HydrophobicContact CB-CZ3 4.06Å; A43-I73 HydrophobicContact CB-CG2 4.31Å; A43-T74 WeakPolarHBondContact CA-O 3.5Å; A43-Y75 HydrophobicContact CB-CD1 3.74Å; A43-Y75 HydrophobicContact CB-CE1 3.55Å
44	M	90.5	Very high	90.8	Very high	11 Å²	11	55.6 Å²	55.6	5%	0.054	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	153.3	-177.7	-58.3	179.5	82.3	0	0	109.9	K53 Y54 F55 I73 T74	M44-K53 HydrophobicContact CB-CB 4.49Å; M44-K53 HydrophobicContact CE-CB 3.76Å; M44-K53 HydrophobicContact SD-CB 4.37Å; M44-Y54 WeakPolarHBondContact CA-O 3.44Å; M44-F55 HydrophobicContact CE-CD1 4.23Å; M44-F55 HydrophobicContact CE-CD2 4.17Å; M44-F55 HydrophobicContact CE-CE1 3.93Å; M44-F55 HydrophobicContact CE-CE2 3.86Å; M44-F55 HydrophobicContact CE-CG 4.34Å; M44-F55 HydrophobicContact CE-CZ 3.74Å; M44-F55 HydrophobicContact CG-CD1 3.97Å; M44-F55 HydrophobicContact CG-CE1 3.77Å; M44-F55 HydrophobicContact CG-CZ 4.46Å; M44-F55 HydrophobicContact SD-CE1 4.02Å; M44-F55 HydrophobicContact SD-CZ 4.13Å; M44-I73 WeakPolarHBondContact O-CA 3.48Å; M44-T74 PolarHBondContact N-O 3.47Å; M44-T74 PolarHBondContact O-N 3.34Å
45	Q	91.3	Very high	90.5	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	123.8	167.6	-70.8	-161.1	-8.2	0	0	109.7	K53 Y54 T56 Q60 W61 I66 T71 V72	Q45-K53 CarbonylContact O-C 3.57Å; Q45-K53 WeakPolarHBondContact O-CA 3.46Å; Q45-Y54 PolarHBondContact N-O 3.29Å; Q45-Y54 PolarHBondContact O-N 2.88Å; Q45-T56 HydrophobicContact CB-CG2 4.01Å; Q45-T56 HydrophobicContact CG-CG2 4.03Å; Q45-Q60 PolarHBondContact NE2-O 2.97Å; Q45-W61 HydrophobicContact CG-CE3 4.06Å; Q45-W61 HydrophobicContact CG-CZ3 4.18Å; Q45-W61 VanDerWaalsContact NE2-CA 3.33Å; Q45-W61 PolarHBondContact NE2-O 3.37Å; Q45-W61 VanDerWaalsContact NE2-O 3.08Å; Q45-I66 HydrophobicContact CB-CD1 4.08Å; Q45-T71 HydrophobicContact CB-CG2 4.29Å; Q45-T71 PolarHBondContact OE1-OG1 2.85Å; Q45-T71 VanDerWaalsContact OE1-OG1 3.05Å; Q45-V72 WeakPolarHBondContact CA-O 3.44Å
46	Q	92.3	Very high	90	Very high	35 Å²	35	47.3 Å²	47.3	16%	0.164	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	132.4	171.5	-175.1	175.6	-11.8	0	0	109.3	K48 T50 K52 K53 T71 V72 T74	Q46-K48 PolarHBondContact O-N 2.89Å; Q46-T50 WeakPolarHBondContact CG-O 3.3Å; Q46-T50 PolarHBondContact NE2-O 3.36Å; Q46-K52 WeakPolarHBondContact CA-O 3.47Å; Q46-K53 HydrophobicContact CB-CG 3.96Å; Q46-K53 HydrophobicContact CG-CG 4Å; Q46-T71 CarbonylContact O-C 3.58Å; Q46-T71 WeakPolarHBondContact O-CA 3.4Å; Q46-T71 WeakPolarHBondContact O-CB 3.29Å; Q46-V72 HydrophobicContact CB-CG2 4.03Å; Q46-V72 PolarHBondContact N-O 2.9Å; Q46-V72 PolarHBondContact O-N 3.49Å; Q46-T74 HydrophobicContact CB-CG2 3.95Å
47	I	92.3	Very high	89.6	Confident	9 Å²	9	41.6 Å²	41.6	5%	0.046	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	129.3	172.7	-60.2	174.4	0	0	0	108.5	G49 T50 K52 Y54 I66 K69 T71	I47-G49 PolarHBondContact O-N 3.41Å; I47-T50 WeakPolarHBondContact CB-OG1 3.42Å; I47-T50 HydrophobicContact CG2-CG2 4.15Å; I47-T50 PolarHBondContact O-N 3.26Å; I47-T50 VanDerWaalsContact O-N 3.14Å; I47-T50 VanDerWaalsContact O-O 3.12Å; I47-K52 HydrophobicContact CD1-CB 4.3Å; I47-K52 PolarHBondContact N-O 3.48Å; I47-K52 VanDerWaalsContact N-O 3.13Å; I47-Y54 HydrophobicContact CD1-CE2 3.84Å; I47-Y54 HydrophobicContact CG1-CE2 4.24Å; I47-I66 HydrophobicContact CD1-CB 4.19Å; I47-I66 HydrophobicContact CD1-CG2 3.83Å; I47-I66 HydrophobicContact CG1-CB 4.07Å; I47-I66 HydrophobicContact CG1-CG2 4.23Å; I47-K69 HydrophobicContact CG2-CB 3.7Å; I47-K69 HydrophobicContact CG2-CG 4.33Å; I47-T71 HydrophobicContact CG1-CG2 4.32Å
48	K	91.4	Very high	89	Confident	125 Å²	125	40.8 Å²	40.8	54%	0.543	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	129.8	179.5	-76.5	-172.7	-178.4	-178.3	0	110.4	Q46 T50 P70 V72	Q46-K48 PolarHBondContact O-N 2.89Å; K48-T50 VanDerWaalsContact C-N 3.32Å; K48-P70 HydrophobicContact CB-CG 4.38Å; K48-P70 WeakPolarHBondContact CB-O 3.27Å; K48-P70 HydrophobicContact CD-CB 4.09Å; K48-P70 HydrophobicContact CD-CG 3.96Å; K48-P70 HydrophobicContact CG-CG 4.47Å; K48-P70 WeakPolarHBondContact CG-O 3.2Å; K48-P70 PolarHBondContact N-O 2.94Å; K48-V72 HydrophobicContact CD-CG1 4.15Å; K48-V72 HydrophobicContact CG-CG1 3.73Å
49	G	87.1	Confident	88.3	Confident	88 Å²	88	47.7 Å²	47.7	91%	0.907	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.9	-0.7	179.3	0	0	0	0	0	114.9	I47	I47-G49 PolarHBondContact O-N 3.41Å
50	T	88.4	Confident	87.6	Confident	46 Å²	46	45.7 Å²	45.7	28%	0.282	25%	0.249	S	C	.	.	S	Bend	trans	-128.5	165.3	174.3	85.4	0	0	0	0	110.9	Q46 I47 K48 K52	Q46-T50 WeakPolarHBondContact CG-O 3.3Å; Q46-T50 PolarHBondContact NE2-O 3.36Å; I47-T50 WeakPolarHBondContact CB-OG1 3.42Å; I47-T50 HydrophobicContact CG2-CG2 4.15Å; I47-T50 PolarHBondContact O-N 3.26Å; I47-T50 VanDerWaalsContact O-N 3.14Å; I47-T50 VanDerWaalsContact O-O 3.12Å; K48-T50 VanDerWaalsContact C-N 3.32Å; T50-K52 VanDerWaalsContact C-N 3.32Å; T50-K52 PolarHBondContact OG1-N 3.17Å
51	N	85.6	Confident	87.1	Confident	130 Å²	130	43.8 Å²	43.8	70%	0.695	24%	0.237	S	C	*	.			trans	-89.6	4.3	173.7	-69.6	-25.5	0	0	0	113.1	K53	N51-K53 PolarHBondContact O-N 2.79Å
52	K	87.5	Confident	86.6	Confident	54 Å²	54	50.7 Å²	50.7	24%	0.235	26%	0.263	C	S	.	.			trans	-72.5	120.5	-179	-67.1	-169.3	172.9	-173.3	0	110.4	Q46 I47 T50 Y54 E311 D334	Q46-K52 WeakPolarHBondContact CA-O 3.47Å; I47-K52 HydrophobicContact CD1-CB 4.3Å; I47-K52 PolarHBondContact N-O 3.48Å; I47-K52 VanDerWaalsContact N-O 3.13Å; T50-K52 VanDerWaalsContact C-N 3.32Å; T50-K52 PolarHBondContact OG1-N 3.17Å; K52-Y54 HydrophobicContact CB-CE2 3.85Å; K52-E311 IonicContact NZ-OE1 3.61Å; K52-E311 PolarHBondContact NZ-OE1 3.09Å; K52-E311 VanDerWaalsContact NZ-OE1 3.07Å; K52-D334 WeakPolarHBondContact CE-OD1 3.37Å; K52-D334 IonicContact NZ-OD1 3.18Å; K52-D334 PolarHBondContact NZ-OD1 2.8Å
53	K	88.8	Confident	86.1	Confident	54 Å²	54	56.6 Å²	56.6	24%	0.235	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	141.2	-177.5	-65.8	168.4	-170.6	165.7	0	110.5	M44 Q45 Q46 N51 E76	M44-K53 HydrophobicContact CB-CB 4.49Å; M44-K53 HydrophobicContact CE-CB 3.76Å; M44-K53 HydrophobicContact SD-CB 4.37Å; Q45-K53 CarbonylContact O-C 3.57Å; Q45-K53 WeakPolarHBondContact O-CA 3.46Å; Q46-K53 HydrophobicContact CB-CG 3.96Å; Q46-K53 HydrophobicContact CG-CG 4Å; N51-K53 PolarHBondContact O-N 2.79Å; K53-E76 WeakPolarHBondContact CD-OE1 3.4Å; K53-E76 WeakPolarHBondContact CE-OE1 3.29Å; K53-E76 IonicContact NZ-OE1 2.77Å; K53-E76 PolarHBondContact NZ-OE1 2.98Å
54	Y	88.6	Confident	85.7	Confident	17 Å²	17	61.6 Å²	61.6	7%	0.067	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	135.8	-176.9	-61.6	-94.4	0	0	0	110.7	M44 Q45 I47 K52 I66 I201 E311 V314	M44-Y54 WeakPolarHBondContact CA-O 3.44Å; Q45-Y54 PolarHBondContact N-O 3.29Å; Q45-Y54 PolarHBondContact O-N 2.88Å; I47-Y54 HydrophobicContact CD1-CE2 3.84Å; I47-Y54 HydrophobicContact CG1-CE2 4.24Å; K52-Y54 HydrophobicContact CB-CE2 3.85Å; Y54-I66 HydrophobicContact CD2-CD1 3.47Å; Y54-I66 VanDerWaalsContact CD2-CD1 3.47Å; Y54-I66 HydrophobicContact CD2-CG2 4.49Å; Y54-I66 HydrophobicContact CE2-CD1 4.22Å; Y54-I66 HydrophobicContact CE2-CG2 4.24Å; Y54-I66 HydrophobicContact CG-CD1 3.81Å; Y54-I201 HydrophobicContact CD1-CD1 4.41Å; Y54-E311 PolarHBondContact OH-OE2 3Å; Y54-V314 HydrophobicContact CD1-CG1 4.36Å; Y54-V314 HydrophobicContact CE1-CG1 4.25Å
55	F	85.4	Confident	85.7	Confident	33 Å²	33	67.1 Å²	67.1	15%	0.145	33%	0.333	C	S	.	.			trans	-73.4	123.2	155	-60	-69.3	0	0	0	107.1	Y23 V26 L27 C42 M44	Y23-F55 HydrophobicContact CE2-CD2 4.04Å; Y23-F55 HydrophobicContact CE2-CE2 4.34Å; V26-F55 HydrophobicContact CG1-CB 3.59Å; V26-F55 WeakPolarHBondContact CG1-O 3.4Å; L27-F55 HydrophobicContact CD1-CD1 4.47Å; L27-F55 HydrophobicContact CD1-CE1 4.05Å; L27-F55 HydrophobicContact CD1-CZ 4.22Å; C42-F55 HydrophobicContact CB-CE1 4.06Å; M44-F55 HydrophobicContact CE-CD1 4.23Å; M44-F55 HydrophobicContact CE-CD2 4.17Å; M44-F55 HydrophobicContact CE-CE1 3.93Å; M44-F55 HydrophobicContact CE-CE2 3.86Å; M44-F55 HydrophobicContact CE-CG 4.34Å; M44-F55 HydrophobicContact CE-CZ 3.74Å; M44-F55 HydrophobicContact CG-CD1 3.97Å; M44-F55 HydrophobicContact CG-CE1 3.77Å; M44-F55 HydrophobicContact CG-CZ 4.46Å; M44-F55 HydrophobicContact SD-CE1 4.02Å; M44-F55 HydrophobicContact SD-CZ 4.13Å
56	T	81.3	Confident	85.7	Confident	3 Å²	3	67.2 Å²	67.2	2%	0.018	33%	0.333	C	S	.	.			trans	-120.1	143.3	-175.8	59.4	0	0	0	0	111.8	V26 H29 Q45 Q60 I66	V26-T56 VanDerWaalsContact CG1-C 3.42Å; H29-T56 PolarHBondContact ND1-O 3.07Å; Q45-T56 HydrophobicContact CB-CG2 4.01Å; Q45-T56 HydrophobicContact CG-CG2 4.03Å; T56-Q60 HydrophobicContact CG2-CB 4.25Å; T56-I66 HydrophobicContact CG2-CD1 4.13Å
57	N	82.7	Confident	85.7	Confident	42 Å²	42	65.9 Å²	65.9	23%	0.225	33%	0.328	C	S	.	.			trans	-70.2	174.6	174.4	67.9	29.2	0	0	0	112	V26 K59 Q60 W61	V26-N57 HydrophobicContact CG2-CB 4.11Å; N57-K59 VanDerWaalsContact C-N 3.31Å; N57-K59 PolarHBondContact O-N 3.07Å; N57-K59 PolarHBondContact OD1-N 2.92Å; N57-K59 VanDerWaalsContact OD1-N 3.14Å; N57-Q60 PolarHBondContact O-N 3.41Å; N57-Q60 WeakPolarHBondContact OD1-CG 3.45Å; N57-Q60 PolarHBondContact OD1-N 3.42Å; N57-W61 VanDerWaalsContact O-CB 3.27Å; N57-W61 WeakPolarHBondContact O-CB 3.22Å; N57-W61 PolarHBondContact O-N 2.85Å
58	C	79.9	Confident	85.6	Confident	65 Å²	65	67.8 Å²	67.8	44%	0.439	35%	0.35	S	S	.	.	H	α-helix	trans	-55.8	-42.5	-179.7	-70.5	0	0	0	0	113.2	H29 W61 Y62	H29-C58 PolarHBondContact CD2-SG 3.21Å; H29-C58 PolarHBondContact NE2-SG 2.88Å; H29-C58 VanDerWaalsContact NE2-SG 3.42Å; C58-W61 PolarHBondContact O-N 3.17Å; C58-Y62 WeakPolarHBondContact O-CD2 3.41Å; C58-Y62 PolarHBondContact O-N 3.25Å
59	K	77.9	Confident	85.7	Confident	156 Å²	156	65.6 Å²	65.6	68%	0.678	34%	0.34	S	S	*	.	H	α-helix	trans	-61.7	-53.7	-177.8	-173.8	-179.8	179	-175.4	0	110.3	N57 W61 Y62 H63	N57-K59 VanDerWaalsContact C-N 3.31Å; N57-K59 PolarHBondContact O-N 3.07Å; N57-K59 PolarHBondContact OD1-N 2.92Å; N57-K59 VanDerWaalsContact OD1-N 3.14Å; K59-W61 VanDerWaalsContact C-N 3.32Å; K59-W61 PolarHBondContact O-N 3.36Å; K59-Y62 PolarHBondContact O-N 3.22Å; K59-H63 PolarHBondContact O-CD2 3.35Å
60	Q	79.5	Confident	86	Confident	26 Å²	26	64.5 Å²	64.5	12%	0.121	32%	0.317	C	S	.	.	H	α-helix	trans	-64.5	-35.4	179.1	-71.3	161.6	-9.5	0	0	112.6	Q45 T56 N57 Y62 H63 R64	Q45-Q60 PolarHBondContact NE2-O 2.97Å; T56-Q60 HydrophobicContact CG2-CB 4.25Å; N57-Q60 PolarHBondContact O-N 3.41Å; N57-Q60 WeakPolarHBondContact OD1-CG 3.45Å; N57-Q60 PolarHBondContact OD1-N 3.42Å; Q60-Y62 VanDerWaalsContact C-N 3.27Å; Q60-Y62 PolarHBondContact O-N 3.36Å; Q60-H63 PolarHBondContact O-N 3.18Å; Q60-R64 PolarHBondContact O-N 3.45Å
61	W	81.7	Confident	86.2	Confident	15 Å²	15	62.7 Å²	62.7	6%	0.057	31%	0.306	C	S	.	.	H	α-helix	trans	-56.5	-40.8	-179.9	-177.2	-94.7	0	0	0	113	H29 R33 A43 Q45 N57 C58 K59 R64 I73	H29-W61 AromaticContact CE1-CG 3.91Å; R33-W61 HydrophobicContact CB-CH2 4.11Å; R33-W61 HydrophobicContact CB-CZ2 4Å; R33-W61 HydrophobicContact CG-CH2 4.37Å; R33-W61 HydrophobicContact CG-CZ2 3.99Å; A43-W61 HydrophobicContact CB-CH2 3.57Å; A43-W61 HydrophobicContact CB-CZ3 4.06Å; Q45-W61 HydrophobicContact CG-CE3 4.06Å; Q45-W61 HydrophobicContact CG-CZ3 4.18Å; Q45-W61 VanDerWaalsContact NE2-CA 3.33Å; Q45-W61 PolarHBondContact NE2-O 3.37Å; Q45-W61 VanDerWaalsContact NE2-O 3.08Å; N57-W61 VanDerWaalsContact O-CB 3.27Å; N57-W61 WeakPolarHBondContact O-CB 3.22Å; N57-W61 PolarHBondContact O-N 2.85Å; C58-W61 PolarHBondContact O-N 3.17Å; K59-W61 VanDerWaalsContact C-N 3.32Å; K59-W61 PolarHBondContact O-N 3.36Å; W61-R64 WeakPolarHBondContact O-CD 3.41Å; W61-R64 PolarHBondContact O-NE 2.98Å; W61-I73 HydrophobicContact CH2-CB 4.33Å; W61-I73 HydrophobicContact CH2-CD1 3.44Å; W61-I73 VanDerWaalsContact CH2-CD1 3.44Å; W61-I73 HydrophobicContact CH2-CG1 3.53Å; W61-I73 HydrophobicContact CH2-CG2 3.78Å; W61-I73 HydrophobicContact CZ2-CD1 3.21Å; W61-I73 HydrophobicContact CZ2-CG1 3.86Å; W61-I73 HydrophobicContact CZ3-CD1 4.36Å; W61-I73 HydrophobicContact CZ3-CG1 4.09Å
62	Y	82	Confident	86.6	Confident	154 Å²	154	59.2 Å²	59.2	60%	0.604	29%	0.289	S	S	*	.	H	α-helix	trans	-80.2	-28.8	-179.1	-67.8	-64.5	0	0	0	113.6	R33 C58 K59 Q60 R64	R33-Y62 PolarHBondContact NH2-OH 2.99Å; C58-Y62 WeakPolarHBondContact O-CD2 3.41Å; C58-Y62 PolarHBondContact O-N 3.25Å; K59-Y62 PolarHBondContact O-N 3.22Å; Q60-Y62 VanDerWaalsContact C-N 3.27Å; Q60-Y62 PolarHBondContact O-N 3.36Å; Y62-R64 PolarHBondContact O-N 3.22Å
63	H	80.3	Confident	86.9	Confident	124 Å²	124	58.5 Å²	58.5	57%	0.574	29%	0.288	S	S	*	.	H	α-helix	trans	-69	-21.4	179.3	-73.5	-61.9	0	0	0	113.7	K59 Q60 K65	K59-H63 PolarHBondContact O-CD2 3.35Å; Q60-H63 PolarHBondContact O-N 3.18Å; H63-K65 PolarHBondContact O-N 2.86Å
64	R	85.8	Confident	87	Confident	106 Å²	106	57.1 Å²	57.1	40%	0.4	28%	0.284	S	S	.	.			trans	51.4	29.1	178.4	-61.8	-61.6	-171.9	124.9	6.4	114.1	Q60 W61 Y62 P70 T71	Q60-R64 PolarHBondContact O-N 3.45Å; W61-R64 WeakPolarHBondContact O-CD 3.41Å; W61-R64 PolarHBondContact O-NE 2.98Å; Y62-R64 PolarHBondContact O-N 3.22Å; R64-P70 WeakPolarHBondContact O-CA 3.43Å; R64-T71 VanDerWaalsContact C-OG1 3.25Å; R64-T71 WeakPolarHBondContact CA-OG1 3.49Å; R64-T71 PolarHBondContact O-N 3.35Å; R64-T71 PolarHBondContact O-OG1 3.14Å
65	K	90.3	Very high	87.2	Confident	127 Å²	127	60.2 Å²	60.2	55%	0.552	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141	140.6	178	-67.5	-176.8	-179.3	-174.8	0	109.8	H63 K69	H63-K65 PolarHBondContact O-N 2.86Å; K65-K69 CarbonylContact C-O 3.52Å; K65-K69 WeakPolarHBondContact CA-O 3.44Å
66	I	91.3	Very high	87.5	Confident	2 Å²	2	61.6 Å²	61.6	1%	0.01	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	126.4	169.1	-67.5	173.6	0	0	0	105.9	Q45 I47 Y54 T56 G68 K69 T71 V314	Q45-I66 HydrophobicContact CB-CD1 4.08Å; I47-I66 HydrophobicContact CD1-CB 4.19Å; I47-I66 HydrophobicContact CD1-CG2 3.83Å; I47-I66 HydrophobicContact CG1-CB 4.07Å; I47-I66 HydrophobicContact CG1-CG2 4.23Å; Y54-I66 HydrophobicContact CD2-CD1 3.47Å; Y54-I66 VanDerWaalsContact CD2-CD1 3.47Å; Y54-I66 HydrophobicContact CD2-CG2 4.49Å; Y54-I66 HydrophobicContact CE2-CD1 4.22Å; Y54-I66 HydrophobicContact CE2-CG2 4.24Å; Y54-I66 HydrophobicContact CG-CD1 3.81Å; T56-I66 HydrophobicContact CG2-CD1 4.13Å; I66-G68 VanDerWaalsContact C-N 3.28Å; I66-G68 PolarHBondContact O-N 2.78Å; I66-K69 PolarHBondContact N-O 3.33Å; I66-K69 PolarHBondContact O-N 2.95Å; I66-T71 HydrophobicContact CB-CG2 4.02Å; I66-T71 HydrophobicContact CD1-CG2 3.87Å; I66-T71 HydrophobicContact CG1-CG2 3.77Å; I66-V314 HydrophobicContact CG2-CB 4.03Å; I66-V314 HydrophobicContact CG2-CG1 4.13Å
67	C	91.6	Very high	87.9	Confident	8 Å²	8	63.1 Å²	63.1	5%	0.054	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	48.1	-175	-59.9	0	0	0	0	112.9	K69 V314 C331 D332 G333	C67-K69 PolarHBondContact O-N 3.42Å; C67-V314 PolarHBondContact N-O 3.44Å; C67-C331 CarbonylContact C-O 3.49Å; C67-C331 VanDerWaalsContact CA-O 3.27Å; C67-C331 WeakPolarHBondContact CA-O 3.36Å; C67-C331 WeakPolarHBondContact CA-SG 3.36Å; C67-C331 HydrophobicContact CB-CB 3.62Å; C67-C331 WeakPolarHBondContact CB-SG 3.29Å; C67-C331 WeakPolarHBondContact SG-CB 3.28Å; C67-C331 CovalentContact SG-SG 2.03Å; C67-C331 PolarHBondContact SG-SG 2.86Å; C67-D332 CarbonylContact O-C 3.5Å; C67-D332 WeakPolarHBondContact O-CA 3.49Å; C67-G333 VanDerWaalsContact CB-O 3.25Å; C67-G333 WeakPolarHBondContact CB-O 3.47Å; C67-G333 PolarHBondContact O-N 3.05Å
68	G	90.6	Very high	88.2	Confident	49 Å²	49	61.1 Å²	61.1	51%	0.505	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	71	-17.3	-177.9	0	0	0	0	0	115.7	I66	I66-G68 VanDerWaalsContact C-N 3.28Å; I66-G68 PolarHBondContact O-N 2.78Å
69	K	93	Very high	88.3	Confident	79 Å²	79	59.1 Å²	59.1	34%	0.343	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	138.3	-177.6	-55	-51.6	-176.8	-153.7	0	111.5	I47 K65 I66 C67 D332	I47-K69 HydrophobicContact CG2-CB 3.7Å; I47-K69 HydrophobicContact CG2-CG 4.33Å; K65-K69 CarbonylContact C-O 3.52Å; K65-K69 WeakPolarHBondContact CA-O 3.44Å; I66-K69 PolarHBondContact N-O 3.33Å; I66-K69 PolarHBondContact O-N 2.95Å; C67-K69 PolarHBondContact O-N 3.42Å; K69-D332 VanDerWaalsContact CE-OD1 3.31Å; K69-D332 WeakPolarHBondContact CE-OD1 3.4Å; K69-D332 IonicContact NZ-OD1 3.22Å; K69-D332 PolarHBondContact NZ-OD1 2.81Å; K69-D332 IonicContact NZ-OD2 3.78Å
70	P	93.8	Very high	88.6	Confident	64 Å²	64	52.7 Å²	52.7	42%	0.416	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	143.6	178	27.1	-34.2	0	0	0	111.7	K48 R64	K48-P70 HydrophobicContact CB-CG 4.38Å; K48-P70 WeakPolarHBondContact CB-O 3.27Å; K48-P70 HydrophobicContact CD-CB 4.09Å; K48-P70 HydrophobicContact CD-CG 3.96Å; K48-P70 HydrophobicContact CG-CG 4.47Å; K48-P70 WeakPolarHBondContact CG-O 3.2Å; K48-P70 PolarHBondContact N-O 2.94Å; R64-P70 WeakPolarHBondContact O-CA 3.43Å
71	T	93.8	Very high	88.9	Confident	9 Å²	9	55.2 Å²	55.2	6%	0.055	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	153.4	177.8	61.5	0	0	0	0	112.7	Q45 Q46 I47 R64 I66	Q45-T71 HydrophobicContact CB-CG2 4.29Å; Q45-T71 PolarHBondContact OE1-OG1 2.85Å; Q45-T71 VanDerWaalsContact OE1-OG1 3.05Å; Q46-T71 CarbonylContact O-C 3.58Å; Q46-T71 WeakPolarHBondContact O-CA 3.4Å; Q46-T71 WeakPolarHBondContact O-CB 3.29Å; I47-T71 HydrophobicContact CG1-CG2 4.32Å; R64-T71 VanDerWaalsContact C-OG1 3.25Å; R64-T71 WeakPolarHBondContact CA-OG1 3.49Å; R64-T71 PolarHBondContact O-N 3.35Å; R64-T71 PolarHBondContact O-OG1 3.14Å; I66-T71 HydrophobicContact CB-CG2 4.02Å; I66-T71 HydrophobicContact CD1-CG2 3.87Å; I66-T71 HydrophobicContact CG1-CG2 3.77Å
72	V	93.8	Very high	89.2	Confident	57 Å²	57	58 Å²	58	35%	0.345	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	150.7	165.6	-67.9	0	0	0	0	109.3	Q45 Q46 K48	Q45-V72 WeakPolarHBondContact CA-O 3.44Å; Q46-V72 HydrophobicContact CB-CG2 4.03Å; Q46-V72 PolarHBondContact N-O 2.9Å; Q46-V72 PolarHBondContact O-N 3.49Å; K48-V72 HydrophobicContact CD-CG1 4.15Å; K48-V72 HydrophobicContact CG-CG1 3.73Å
73	I	92.1	Very high	89.6	Confident	39 Å²	39	57.3 Å²	57.3	20%	0.2	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	129.3	171.9	-68.4	164.3	0	0	0	108.3	A43 M44 W61 Y75	A43-I73 HydrophobicContact CB-CG2 4.31Å; M44-I73 WeakPolarHBondContact O-CA 3.48Å; W61-I73 HydrophobicContact CH2-CB 4.33Å; W61-I73 HydrophobicContact CH2-CD1 3.44Å; W61-I73 VanDerWaalsContact CH2-CD1 3.44Å; W61-I73 HydrophobicContact CH2-CG1 3.53Å; W61-I73 HydrophobicContact CH2-CG2 3.78Å; W61-I73 HydrophobicContact CZ2-CD1 3.21Å; W61-I73 HydrophobicContact CZ2-CG1 3.86Å; W61-I73 HydrophobicContact CZ3-CD1 4.36Å; W61-I73 HydrophobicContact CZ3-CG1 4.09Å; I73-Y75 HydrophobicContact CG2-CD1 4.47Å; I73-Y75 HydrophobicContact CG2-CD2 4.2Å; I73-Y75 HydrophobicContact CG2-CE1 4Å; I73-Y75 HydrophobicContact CG2-CE2 3.68Å
74	T	92.8	Very high	90.1	Very high	25 Å²	25	54.5 Å²	54.5	15%	0.153	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	158.8	165.7	58.4	0	0	0	0	110.6	A43 M44 Q46	A43-T74 WeakPolarHBondContact CA-O 3.5Å; M44-T74 PolarHBondContact N-O 3.47Å; M44-T74 PolarHBondContact O-N 3.34Å; Q46-T74 HydrophobicContact CB-CG2 3.95Å
75	Y	92.1	Very high	90.3	Very high	82 Å²	82	55.7 Å²	55.7	32%	0.322	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	122	-179.7	-64.7	-79.7	0	0	0	109.3	Q37 V41 C42 A43 I73	Q37-Y75 HydrophobicContact CB-CD1 4.38Å; Q37-Y75 HydrophobicContact CB-CG 4.49Å; Q37-Y75 HydrophobicContact CG-CD1 3.51Å; Q37-Y75 HydrophobicContact CG-CD2 3.9Å; Q37-Y75 HydrophobicContact CG-CE1 3.67Å; Q37-Y75 HydrophobicContact CG-CE2 4.06Å; Q37-Y75 HydrophobicContact CG-CG 3.62Å; V41-Y75 HydrophobicContact CG1-CD1 4.14Å; V41-Y75 HydrophobicContact CG1-CG 4.42Å; C42-Y75 WeakPolarHBondContact O-CA 3.47Å; A43-Y75 HydrophobicContact CB-CD1 3.74Å; A43-Y75 HydrophobicContact CB-CE1 3.55Å; I73-Y75 HydrophobicContact CG2-CD1 4.47Å; I73-Y75 HydrophobicContact CG2-CD2 4.2Å; I73-Y75 HydrophobicContact CG2-CE1 4Å; I73-Y75 HydrophobicContact CG2-CE2 3.68Å
76	E	90.6	Very high	90.3	Very high	61 Å²	61	54 Å²	54	29%	0.285	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	165.1	-177.3	-61.8	-169.6	174.1	0	0	110.1	V41 C42 K53 C78	V41-E76 WeakPolarHBondContact CA-O 3.1Å; C42-E76 PolarHBondContact N-O 3.49Å; C42-E76 PolarHBondContact O-N 3.33Å; K53-E76 WeakPolarHBondContact CD-OE1 3.4Å; K53-E76 WeakPolarHBondContact CE-OE1 3.29Å; K53-E76 IonicContact NZ-OE1 2.77Å; K53-E76 PolarHBondContact NZ-OE1 2.98Å; E76-C78 PolarHBondContact O-N 3.09Å
77	C	90.2	Very high	90.4	Very high	35 Å²	35	59.4 Å²	59.4	24%	0.236	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	135.2	171.5	-59	0	0	0	0	109.7	Y81 K83 C90	C77-Y81 WeakPolarHBondContact CB-O 3.33Å; C77-K83 VanDerWaalsContact SG-CG 3.51Å; C77-C90 WeakPolarHBondContact CA-SG 3.37Å; C77-C90 HydrophobicContact CB-CB 3.62Å; C77-C90 WeakPolarHBondContact CB-SG 3.36Å; C77-C90 WeakPolarHBondContact SG-CB 3.22Å; C77-C90 CovalentContact SG-SG 2.03Å; C77-C90 PolarHBondContact SG-SG 2.97Å
78	C	88.4	Confident	90.4	Very high	1 Å²	1	65.7 Å²	65.7	1%	0.007	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-60.4	155.5	170.2	-66.2	0	0	0	0	110.1	R31 N40 C42 E76 G80 Y81	R31-C78 VanDerWaalsContact CG-SG 3.53Å; N40-C78 WeakPolarHBondContact O-CB 3.15Å; N40-C78 PolarHBondContact O-N 3.42Å; N40-C78 PolarHBondContact O-SG 3Å; N40-C78 VanDerWaalsContact O-SG 3.35Å; C42-C78 VanDerWaalsContact CA-SG 3.54Å; C42-C78 HydrophobicContact CB-CB 4.1Å; C42-C78 WeakPolarHBondContact CB-SG 3.34Å; C42-C78 PolarHBondContact N-SG 3.49Å; C42-C78 WeakPolarHBondContact SG-CA 3.35Å; C42-C78 WeakPolarHBondContact SG-CB 3.45Å; C42-C78 CovalentContact SG-SG 2.04Å; C42-C78 PolarHBondContact SG-SG 3.18Å; E76-C78 PolarHBondContact O-N 3.09Å; C78-G80 PolarHBondContact O-N 3.35Å; C78-Y81 HydrophobicContact CB-CD2 4.29Å; C78-Y81 PolarHBondContact O-N 3.42Å; C78-Y81 VanDerWaalsContact O-N 3.13Å
79	P	83.6	Confident	90.5	Very high	23 Å²	23	63.9 Å²	63.9	15%	0.149	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.2	128.7	174.4	-31.4	37.3	0	0	0	112.6	L27 Y81	L27-P79 HydrophobicContact CD1-CG 4.48Å; P79-Y81 WeakPolarHBondContact O-CD2 3.37Å
80	G	82.9	Confident	90.5	Very high	21 Å²	21	60.1 Å²	60.1	22%	0.216	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.4	2.9	-179.8	0	0	0	0	0	116.5	C78 A93 L94	C78-G80 PolarHBondContact O-N 3.35Å; G80-A93 WeakPolarHBondContact O-CA 3.43Å; G80-L94 PolarHBondContact O-N 3.36Å
81	Y	87.3	Confident	90.4	Very high	78 Å²	78	59 Å²	59	31%	0.306	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	155.9	-178.4	-61.6	-89.7	0	0	0	112.6	N40 C77 C78 P79 A92 A93	N40-Y81 HydrophobicContact CB-CD1 3.68Å; N40-Y81 HydrophobicContact CB-CD2 3.72Å; N40-Y81 HydrophobicContact CB-CE1 4.08Å; N40-Y81 HydrophobicContact CB-CE2 4.11Å; N40-Y81 HydrophobicContact CB-CG 3.48Å; N40-Y81 VanDerWaalsContact CB-CG 3.48Å; N40-Y81 VanDerWaalsContact CG-CD1 3.44Å; N40-Y81 WeakPolarHBondContact ND2-CD1 3.28Å; N40-Y81 WeakPolarHBondContact ND2-CE1 3.28Å; C77-Y81 WeakPolarHBondContact CB-O 3.33Å; C78-Y81 HydrophobicContact CB-CD2 4.29Å; C78-Y81 PolarHBondContact O-N 3.42Å; C78-Y81 VanDerWaalsContact O-N 3.13Å; P79-Y81 WeakPolarHBondContact O-CD2 3.37Å; Y81-A92 CarbonylContact C-O 3.53Å; Y81-A92 VanDerWaalsContact CA-O 3.25Å; Y81-A92 WeakPolarHBondContact CA-O 3.3Å; Y81-A92 WeakPolarHBondContact CB-O 3.46Å; Y81-A92 WeakPolarHBondContact CD1-O 3.49Å; Y81-A93 HydrophobicContact CD1-CB 4.37Å; Y81-A93 HydrophobicContact CE1-CB 4.34Å
82	E	87.1	Confident	90.2	Very high	75 Å²	75	59.4 Å²	59.4	35%	0.35	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	165.5	177.8	69.5	-179.6	158.6	0	0	112.7	C90 A92 L94	E82-C90 CarbonylContact O-C 3.41Å; E82-C90 WeakPolarHBondContact O-CA 3.46Å; E82-C90 WeakPolarHBondContact O-CB 3.46Å; E82-A92 HydrophobicContact CG-CB 3.74Å; E82-A92 PolarHBondContact N-O 3.1Å; E82-L94 HydrophobicContact CB-CD2 3.86Å; E82-L94 HydrophobicContact CB-CG 4.19Å; E82-L94 HydrophobicContact CG-CD2 4.11Å; E82-L94 HydrophobicContact CG-CG 4.5Å
83	K	90.4	Very high	89.7	Confident	139 Å²	139	59.9 Å²	59.9	60%	0.604	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-84.4	139.8	177.1	-60.9	-171.4	178.7	175.3	0	109.9	C77	C77-K83 VanDerWaalsContact SG-CG 3.51Å
84	L	90.3	Very high	89.1	Confident	65 Å²	65	60.4 Å²	60.4	34%	0.34	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-101.1	134.1	166.2	-68.4	-179.5	0	0	0	110	G86 E87 P91 A92	L84-G86 PolarHBondContact O-N 3.38Å; L84-E87 HydrophobicContact CB-CB 4.21Å; L84-E87 HydrophobicContact CB-CG 4.29Å; L84-E87 PolarHBondContact O-N 3.12Å; L84-E87 VanDerWaalsContact O-N 3.12Å; L84-P91 HydrophobicContact CB-CG 4.16Å; L84-P91 HydrophobicContact CD1-CG 4Å; L84-P91 HydrophobicContact CG-CG 4.1Å; L84-A92 HydrophobicContact CD1-CB 3.96Å; L84-A92 HydrophobicContact CD2-CB 3.81Å; L84-A92 HydrophobicContact CG-CB 3.69Å
85	P	90.6	Very high	88.4	Confident	131 Å²	131	63.2 Å²	63.2	85%	0.851	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	127.8	175.5	-25.1	34.2	0	0	0	111.7	E87	P85-E87 VanDerWaalsContact C-N 3.31Å; P85-E87 PolarHBondContact O-N 3.44Å
86	G	89.8	Confident	88.1	Confident	90 Å²	90	64.4 Å²	64.4	93%	0.928	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.9	-10.4	179.8	0	0	0	0	0	115.4	L84	L84-G86 PolarHBondContact O-N 3.38Å
87	E	93.4	Very high	88.3	Confident	116 Å²	116	64 Å²	64	54%	0.542	38%	0.376	S	S	.	.	S	Bend	trans	-101.2	151.6	176.2	-64.6	-165.6	-156.1	0	0	112.7	L84 P85 P91	L84-E87 HydrophobicContact CB-CB 4.21Å; L84-E87 HydrophobicContact CB-CG 4.29Å; L84-E87 PolarHBondContact O-N 3.12Å; L84-E87 VanDerWaalsContact O-N 3.12Å; P85-E87 VanDerWaalsContact C-N 3.31Å; P85-E87 PolarHBondContact O-N 3.44Å; E87-P91 HydrophobicContact CB-CG 3.91Å; E87-P91 WeakPolarHBondContact OE2-CB 3.31Å; E87-P91 WeakPolarHBondContact OE2-CG 3.3Å
88	K	92.4	Very high	88.6	Confident	140 Å²	140	63.9 Å²	63.9	61%	0.609	37%	0.373	S	S	*	.	S	Bend	trans	-83.5	135	177.5	-174.8	174.7	176.9	-174.9	0	110.4	Q36 Q37 P39	Q36-K88 WeakPolarHBondContact O-CE 3.36Å; Q36-K88 PolarHBondContact O-NZ 3.37Å; Q37-K88 VanDerWaalsContact C-CE 3.48Å; Q37-K88 WeakPolarHBondContact O-CE 3.48Å; Q37-K88 VanDerWaalsContact O-CG 3.26Å; Q37-K88 WeakPolarHBondContact O-CG 3.31Å; P39-K88 WeakPolarHBondContact CD-O 3.24Å
89	G	92.4	Very high	89	Confident	11 Å²	11	63.8 Å²	63.8	11%	0.113	37%	0.373	C	S	.	.	S	Bend	trans	79	-143.5	176.5	0	0	0	0	0	113.4	V41	V41-G89 VanDerWaalsContact CG2-CA 3.49Å
90	C	93.6	Very high	89.6	Confident	0 Å²	0	64 Å²	64	0%	0	37%	0.371	C	S	.	.			trans	-128.5	71.7	-177.8	-54	0	0	0	0	110.5	P39 N40 C77 E82	P39-C90 PolarHBondContact O-N 2.99Å; N40-C90 HydrophobicContact CB-CB 4.28Å; N40-C90 WeakPolarHBondContact CB-O 3.2Å; N40-C90 PolarHBondContact ND2-O 3.49Å; C77-C90 WeakPolarHBondContact CA-SG 3.37Å; C77-C90 HydrophobicContact CB-CB 3.62Å; C77-C90 WeakPolarHBondContact CB-SG 3.36Å; C77-C90 WeakPolarHBondContact SG-CB 3.22Å; C77-C90 CovalentContact SG-SG 2.03Å; C77-C90 PolarHBondContact SG-SG 2.97Å; E82-C90 CarbonylContact O-C 3.41Å; E82-C90 WeakPolarHBondContact O-CA 3.46Å; E82-C90 WeakPolarHBondContact O-CB 3.46Å
91	P	91.8	Very high	90.2	Very high	41 Å²	41	65.1 Å²	65.1	27%	0.266	38%	0.375	S	S	.	.			trans	-74.3	-27.7	-172.3	29.7	-34.6	0	0	0	112.9	P39 L84 E87	P39-P91 HydrophobicContact CG-CB 4.24Å; L84-P91 HydrophobicContact CB-CG 4.16Å; L84-P91 HydrophobicContact CD1-CG 4Å; L84-P91 HydrophobicContact CG-CG 4.1Å; E87-P91 HydrophobicContact CB-CG 3.91Å; E87-P91 WeakPolarHBondContact OE2-CB 3.31Å; E87-P91 WeakPolarHBondContact OE2-CG 3.3Å
92	A	88.1	Confident	90.6	Very high	17 Å²	17	61.8 Å²	61.8	14%	0.14	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	134.2	-179.5	0	0	0	0	0	111.4	Y81 E82 L84	Y81-A92 CarbonylContact C-O 3.53Å; Y81-A92 VanDerWaalsContact CA-O 3.25Å; Y81-A92 WeakPolarHBondContact CA-O 3.3Å; Y81-A92 WeakPolarHBondContact CB-O 3.46Å; Y81-A92 WeakPolarHBondContact CD1-O 3.49Å; E82-A92 HydrophobicContact CG-CB 3.74Å; E82-A92 PolarHBondContact N-O 3.1Å; L84-A92 HydrophobicContact CD1-CB 3.96Å; L84-A92 HydrophobicContact CD2-CB 3.81Å; L84-A92 HydrophobicContact CG-CB 3.69Å
93	A	84.8	Confident	91	Very high	67 Å²	67	58.2 Å²	58.2	55%	0.554	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	138.4	162.1	0	0	0	0	0	108.5	G80 Y81	G80-A93 WeakPolarHBondContact O-CA 3.43Å; Y81-A93 HydrophobicContact CD1-CB 4.37Å; Y81-A93 HydrophobicContact CE1-CB 4.34Å
94	L	78.6	Confident	91.1	Very high	51 Å²	51	53 Å²	53	27%	0.267	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-60	131.5	175	-78.9	164.2	0	0	0	109.3	G80 E82 L96	G80-L94 PolarHBondContact O-N 3.36Å; E82-L94 HydrophobicContact CB-CD2 3.86Å; E82-L94 HydrophobicContact CB-CG 4.19Å; E82-L94 HydrophobicContact CG-CD2 4.11Å; E82-L94 HydrophobicContact CG-CG 4.5Å; L94-L96 PolarHBondContact O-N 3.19Å
95	P	78.9	Confident	91	Very high	84 Å²	84	53 Å²	53	55%	0.545	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-61.7	134.6	175.3	25.9	-32.5	0	0	0	109.2	V97	P95-V97 PolarHBondContact O-N 3.45Å; P95-V97 VanDerWaalsContact O-N 3.08Å
96	L	85.9	Confident	90.9	Very high	107 Å²	107	47 Å²	47	56%	0.56	30%	0.303	S	S	*	.			trans	-67.5	112.9	173	-64.9	176.2	0	0	0	108	L94 H215 T217	L94-L96 PolarHBondContact O-N 3.19Å; L96-H215 HydrophobicContact CD2-CB 3.42Å; L96-H215 VanDerWaalsContact CD2-CB 3.42Å; L96-H215 WeakPolarHBondContact CD2-O 3.43Å; L96-T217 HydrophobicContact CB-CG2 3.93Å; L96-T217 WeakPolarHBondContact O-CG2 3.29Å
97	V	93.6	Very high	91	Very high	51 Å²	51	44.7 Å²	44.7	31%	0.309	28%	0.278	S	S	.	.			trans	-117.1	169.6	171.3	-65.9	0	0	0	0	109	P95 S101 T102 A216 T217	P95-V97 PolarHBondContact O-N 3.45Å; P95-V97 VanDerWaalsContact O-N 3.08Å; V97-S101 VanDerWaalsContact CG2-CB 3.48Å; V97-T102 WeakPolarHBondContact CG2-OG1 3.26Å; V97-T102 PolarHBondContact O-OG1 3.35Å; V97-A216 CarbonylContact O-C 3.47Å; V97-A216 WeakPolarHBondContact O-CA 3.36Å; V97-A216 WeakPolarHBondContact O-CB 3.35Å; V97-T217 PolarHBondContact O-N 3.34Å
98	N	96.1	Very high	91.1	Very high	33 Å²	33	39.1 Å²	39.1	18%	0.176	25%	0.252	C	S	.	.			trans	-62.6	163.7	177.1	60.7	41.3	0	0	0	111.9	Y100 S101 T102 T217 N218	N98-Y100 VanDerWaalsContact C-N 3.28Å; N98-Y100 PolarHBondContact O-N 3.21Å; N98-Y100 PolarHBondContact OD1-N 3.37Å; N98-S101 PolarHBondContact O-N 3.43Å; N98-S101 VanDerWaalsContact O-N 3.12Å; N98-S101 WeakPolarHBondContact OD1-CB 3.46Å; N98-S101 PolarHBondContact OD1-N 3.25Å; N98-S101 PolarHBondContact OD1-OG 3.43Å; N98-T102 PolarHBondContact O-N 3.04Å; N98-T102 PolarHBondContact O-OG1 3.12Å; N98-T102 VanDerWaalsContact O-OG1 3.1Å; N98-T217 VanDerWaalsContact CA-OG1 3.31Å; N98-T217 WeakPolarHBondContact CA-OG1 3.26Å; N98-T217 PolarHBondContact N-OG1 3.45Å; N98-N218 WeakPolarHBondContact CA-OD1 3.42Å
99	I	96.5	Very high	91.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-53.9	-44.1	-177.8	-77.7	177.1	0	0	0	112	S101 T102 L103 V124 F130 F132 A216 N218 V221	I99-S101 VanDerWaalsContact C-N 3.31Å; I99-S101 PolarHBondContact O-N 2.96Å; I99-T102 PolarHBondContact O-N 3.17Å; I99-T102 VanDerWaalsContact O-N 3.15Å; I99-L103 WeakPolarHBondContact O-CG 3.42Å; I99-L103 PolarHBondContact O-N 3.43Å; I99-V124 HydrophobicContact CB-CB 4.14Å; I99-V124 HydrophobicContact CG2-CB 3.93Å; I99-V124 HydrophobicContact CG2-CG1 4.16Å; I99-V124 PolarHBondContact N-O 3.19Å; I99-F130 HydrophobicContact CD1-CB 3.56Å; I99-F130 HydrophobicContact CD1-CD2 4Å; I99-F130 HydrophobicContact CD1-CG 4.25Å; I99-F132 HydrophobicContact CG2-CB 4.17Å; I99-F132 HydrophobicContact CG2-CD1 3.74Å; I99-F132 HydrophobicContact CG2-CG 4.43Å; I99-A216 HydrophobicContact CG1-CB 3.69Å; I99-N218 PolarHBondContact N-OD1 2.92Å; I99-V221 HydrophobicContact CG1-CG2 4.32Å; I99-V221 HydrophobicContact CG2-CG2 4.05Å
100	Y	97.2	Very high	91.5	Very high	26 Å²	26	36 Å²	36	10%	0.102	25%	0.245	C	C	.	.	H	α-helix	trans	-55.5	-46.5	179.4	-179.2	-97.9	0	0	0	112.3	N98 L103 Q112 D116 R121 V124 E125	N98-Y100 VanDerWaalsContact C-N 3.28Å; N98-Y100 PolarHBondContact O-N 3.21Å; N98-Y100 PolarHBondContact OD1-N 3.37Å; Y100-L103 WeakPolarHBondContact O-CB 3.27Å; Y100-L103 PolarHBondContact O-N 2.83Å; Y100-Q112 HydrophobicContact CD1-CG 4.48Å; Y100-Q112 HydrophobicContact CD2-CG 4.03Å; Y100-Q112 HydrophobicContact CE1-CG 4.09Å; Y100-Q112 HydrophobicContact CE2-CG 3.62Å; Y100-Q112 WeakPolarHBondContact CE2-O 3.44Å; Y100-Q112 HydrophobicContact CG-CG 4.45Å; Y100-Q112 PolarHBondContact O-NE2 3.24Å; Y100-D116 HydrophobicContact CE2-CB 4.08Å; Y100-R121 HydrophobicContact CD1-CG 4.44Å; Y100-R121 HydrophobicContact CD2-CB 4.16Å; Y100-R121 HydrophobicContact CD2-CG 3.8Å; Y100-R121 HydrophobicContact CE2-CB 4.22Å; Y100-R121 HydrophobicContact CE2-CG 3.94Å; Y100-R121 HydrophobicContact CG-CG 4.06Å; Y100-V124 HydrophobicContact CD2-CG2 4.42Å; Y100-E125 WeakPolarHBondContact CD1-OE1 3.49Å; Y100-E125 HydrophobicContact CG-CG 4.28Å
101	S	95.4	Very high	91.7	Very high	45 Å²	45	36 Å²	36	32%	0.315	25%	0.245	S	C	.	.	H	α-helix	trans	-71	-36.4	178.9	-57.6	0	0	0	0	111.7	V97 N98 I99 L103 G104 A105	V97-S101 VanDerWaalsContact CG2-CB 3.48Å; N98-S101 PolarHBondContact O-N 3.43Å; N98-S101 VanDerWaalsContact O-N 3.12Å; N98-S101 WeakPolarHBondContact OD1-CB 3.46Å; N98-S101 PolarHBondContact OD1-N 3.25Å; N98-S101 PolarHBondContact OD1-OG 3.43Å; I99-S101 VanDerWaalsContact C-N 3.31Å; I99-S101 PolarHBondContact O-N 2.96Å; S101-L103 VanDerWaalsContact C-N 3.3Å; S101-L103 PolarHBondContact O-N 3.21Å; S101-G104 PolarHBondContact O-N 2.97Å; S101-A105 PolarHBondContact O-N 2.62Å; S101-A105 VanDerWaalsContact O-N 3.13Å
102	T	94.8	Very high	92	Very high	8 Å²	8	35.9 Å²	35.9	5%	0.049	24%	0.241	C	C	.	.	H	α-helix	trans	-61.7	-37	175.8	-60.2	0	0	0	0	111.7	V97 N98 I99 G104 A105 V106 Q214 V221	V97-T102 WeakPolarHBondContact CG2-OG1 3.26Å; V97-T102 PolarHBondContact O-OG1 3.35Å; N98-T102 PolarHBondContact O-N 3.04Å; N98-T102 PolarHBondContact O-OG1 3.12Å; N98-T102 VanDerWaalsContact O-OG1 3.1Å; I99-T102 PolarHBondContact O-N 3.17Å; I99-T102 VanDerWaalsContact O-N 3.15Å; T102-G104 VanDerWaalsContact C-N 3.27Å; T102-G104 PolarHBondContact O-N 3.38Å; T102-A105 PolarHBondContact O-N 2.81Å; T102-A105 VanDerWaalsContact O-N 3.15Å; T102-V106 HydrophobicContact CG2-CG1 4Å; T102-V106 WeakPolarHBondContact O-CG1 3.36Å; T102-V106 WeakPolarHBondContact O-CG2 3.49Å; T102-V106 PolarHBondContact O-N 3.23Å; T102-Q214 HydrophobicContact CG2-CB 4.01Å; T102-V221 HydrophobicContact CG2-CB 4.01Å; T102-V221 HydrophobicContact CG2-CG2 3.79Å
103	L	95.4	Very high	92.5	Very high	0 Å²	0	39 Å²	39	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-54.6	-43.8	174.5	-67	170.8	0	0	0	111.8	I99 Y100 S101 V106 G107 A108 T111 Q112 F132 A134 V221	I99-L103 WeakPolarHBondContact O-CG 3.42Å; I99-L103 PolarHBondContact O-N 3.43Å; Y100-L103 WeakPolarHBondContact O-CB 3.27Å; Y100-L103 PolarHBondContact O-N 2.83Å; S101-L103 VanDerWaalsContact C-N 3.3Å; S101-L103 PolarHBondContact O-N 3.21Å; L103-V106 WeakPolarHBondContact O-CG2 3.27Å; L103-G107 PolarHBondContact O-N 3.01Å; L103-A108 HydrophobicContact CD2-CB 4.42Å; L103-A108 CarbonylContact O-C 3.42Å; L103-A108 WeakPolarHBondContact O-CA 3.12Å; L103-A108 PolarHBondContact O-N 3.27Å; L103-T111 HydrophobicContact CD1-CG2 4.27Å; L103-T111 HydrophobicContact CD2-CG2 4.05Å; L103-Q112 HydrophobicContact CB-CB 3.82Å; L103-Q112 HydrophobicContact CB-CG 4.23Å; L103-Q112 HydrophobicContact CD1-CB 4.34Å; L103-F132 HydrophobicContact CD1-CD1 4.42Å; L103-F132 HydrophobicContact CD1-CE1 4.2Å; L103-A134 HydrophobicContact CD2-CB 3.36Å; L103-V221 HydrophobicContact CD2-CG1 3.94Å; L103-V221 HydrophobicContact CD2-CG2 4.33Å
104	G	92.5	Very high	93.1	Very high	30 Å²	30	37 Å²	37	31%	0.309	23%	0.232	S	C	.	.	H	α-helix	trans	-65.1	-47.1	175.2	0	0	0	0	0	112.4	S101 T102 V106 G107 Q112	S101-G104 PolarHBondContact O-N 2.97Å; T102-G104 VanDerWaalsContact C-N 3.27Å; T102-G104 PolarHBondContact O-N 3.38Å; G104-V106 VanDerWaalsContact C-N 3.27Å; G104-V106 PolarHBondContact O-N 2.76Å; G104-G107 PolarHBondContact O-N 3.14Å; G104-Q112 VanDerWaalsContact CA-OE1 3.27Å
105	A	89.4	Confident	94	Very high	65 Å²	65	34.5 Å²	34.5	54%	0.537	22%	0.219	S	C	.	.	H	α-helix	trans	-60.6	-34	-179.4	0	0	0	0	0	113.2	S101 T102 G107	S101-A105 PolarHBondContact O-N 2.62Å; S101-A105 VanDerWaalsContact O-N 3.13Å; T102-A105 PolarHBondContact O-N 2.81Å; T102-A105 VanDerWaalsContact O-N 3.15Å; A105-G107 VanDerWaalsContact C-N 3.3Å
106	V	89	Confident	94.8	Very high	6 Å²	6	34.1 Å²	34.1	4%	0.036	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-3.4	-179.9	-54.5	0	0	0	0	113.1	T102 L103 G104 A108 K211 Q214 V221 V223	T102-V106 HydrophobicContact CG2-CG1 4Å; T102-V106 WeakPolarHBondContact O-CG1 3.36Å; T102-V106 WeakPolarHBondContact O-CG2 3.49Å; T102-V106 PolarHBondContact O-N 3.23Å; L103-V106 WeakPolarHBondContact O-CG2 3.27Å; G104-V106 VanDerWaalsContact C-N 3.27Å; G104-V106 PolarHBondContact O-N 2.76Å; V106-A108 HydrophobicContact CG2-CB 4.04Å; V106-K211 PolarHBondContact O-NZ 3.36Å; V106-Q214 HydrophobicContact CB-CG 4.39Å; V106-Q214 HydrophobicContact CG1-CB 3.62Å; V106-Q214 HydrophobicContact CG1-CG 3.45Å; V106-Q214 VanDerWaalsContact CG1-CG 3.45Å; V106-V221 HydrophobicContact CG2-CG1 4.18Å; V106-V223 HydrophobicContact CB-CG2 3.95Å; V106-V223 HydrophobicContact CG2-CG2 3.5Å; V106-V223 VanDerWaalsContact CG2-CG2 3.5Å
107	G	90.6	Very high	95.3	Very high	40 Å²	40	35.5 Å²	35.5	41%	0.412	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	15.9	179.5	0	0	0	0	0	114.7	L103 G104 A105 S109 N137	L103-G107 PolarHBondContact O-N 3.01Å; G104-G107 PolarHBondContact O-N 3.14Å; A105-G107 VanDerWaalsContact C-N 3.3Å; G107-S109 PolarHBondContact O-N 3.39Å; G107-N137 PolarHBondContact O-ND2 3.42Å; G107-N137 PolarHBondContact O-OD1 3.02Å
108	A	95.4	Very high	95.4	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.195	C	C	.	.			trans	-89.9	51.7	173.9	0	0	0	0	0	110.7	L103 V106 T110 T111 Q112 A134	L103-A108 HydrophobicContact CD2-CB 4.42Å; L103-A108 CarbonylContact O-C 3.42Å; L103-A108 WeakPolarHBondContact O-CA 3.12Å; L103-A108 PolarHBondContact O-N 3.27Å; V106-A108 HydrophobicContact CG2-CB 4.04Å; A108-T110 VanDerWaalsContact C-N 3.32Å; A108-T110 PolarHBondContact O-N 3.02Å; A108-T111 PolarHBondContact O-N 3.17Å; A108-Q112 PolarHBondContact O-N 3.19Å; A108-A134 HydrophobicContact CB-CB 4.16Å
109	S	97.1	Very high	95.3	Very high	56 Å²	56	40.6 Å²	40.6	39%	0.392	22%	0.221	S	C	.	.	H	α-helix	trans	-64.3	-32.8	-173	54.6	0	0	0	0	113.3	G107 Q112 M113 N137	G107-S109 PolarHBondContact O-N 3.39Å; S109-Q112 WeakPolarHBondContact O-CB 3.4Å; S109-Q112 PolarHBondContact O-N 3.33Å; S109-M113 WeakPolarHBondContact O-CB 3.36Å; S109-M113 PolarHBondContact O-N 3.08Å; S109-N137 PolarHBondContact N-OD1 3.46Å; S109-N137 VanDerWaalsContact N-OD1 3.11Å; S109-N137 PolarHBondContact OG-ND2 2.64Å; S109-N137 PolarHBondContact OG-OD1 3.18Å
110	T	97.6	Very high	95.3	Very high	28 Å²	28	40.6 Å²	40.6	17%	0.172	22%	0.221	C	C	.	.	H	α-helix	trans	-66.6	-43.3	175.5	-56.7	0	0	0	0	110.9	A108 Q112 M113 Y114 N137 W140	A108-T110 VanDerWaalsContact C-N 3.32Å; A108-T110 PolarHBondContact O-N 3.02Å; T110-Q112 VanDerWaalsContact C-N 3.34Å; T110-Q112 PolarHBondContact O-N 3.28Å; T110-M113 PolarHBondContact O-N 3.03Å; T110-Y114 HydrophobicContact CG2-CD2 3.78Å; T110-Y114 HydrophobicContact CG2-CE2 3.35Å; T110-Y114 WeakPolarHBondContact O-CD2 3.42Å; T110-Y114 PolarHBondContact O-N 2.81Å; T110-N137 PolarHBondContact N-OD1 2.96Å; T110-N137 PolarHBondContact OG1-OD1 3.17Å; T110-W140 HydrophobicContact CG2-CB 3.68Å; T110-W140 HydrophobicContact CG2-CD2 4.31Å; T110-W140 HydrophobicContact CG2-CG 3.57Å
111	T	98.1	Very high	95.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.4	-42.4	173.7	-59.1	0	0	0	0	111.2	L103 A108 M113 Y114 S115 F132 A134 P135 W140 L163	L103-T111 HydrophobicContact CD1-CG2 4.27Å; L103-T111 HydrophobicContact CD2-CG2 4.05Å; A108-T111 PolarHBondContact O-N 3.17Å; T111-M113 PolarHBondContact O-N 2.96Å; T111-Y114 PolarHBondContact O-N 3.48Å; T111-S115 PolarHBondContact O-N 3.44Å; T111-S115 PolarHBondContact O-OG 3.42Å; T111-F132 HydrophobicContact CG2-CE2 3.85Å; T111-F132 HydrophobicContact CG2-CZ 3.81Å; T111-A134 HydrophobicContact CG2-CB 4.03Å; T111-P135 PolarHBondContact OG1-O 2.82Å; T111-W140 PolarHBondContact OG1-NE1 3.18Å; T111-L163 HydrophobicContact CG2-CD2 4.35Å
112	Q	97.9	Very high	95.2	Very high	40 Å²	40	49.4 Å²	49.4	19%	0.187	26%	0.255	C	S	.	.	H	α-helix	trans	-58.6	-47	174.7	-170.8	-178.6	27.4	0	0	112.2	Y100 L103 G104 A108 S109 T110 S115 D116	Y100-Q112 HydrophobicContact CD1-CG 4.48Å; Y100-Q112 HydrophobicContact CD2-CG 4.03Å; Y100-Q112 HydrophobicContact CE1-CG 4.09Å; Y100-Q112 HydrophobicContact CE2-CG 3.62Å; Y100-Q112 WeakPolarHBondContact CE2-O 3.44Å; Y100-Q112 HydrophobicContact CG-CG 4.45Å; Y100-Q112 PolarHBondContact O-NE2 3.24Å; L103-Q112 HydrophobicContact CB-CB 3.82Å; L103-Q112 HydrophobicContact CB-CG 4.23Å; L103-Q112 HydrophobicContact CD1-CB 4.34Å; G104-Q112 VanDerWaalsContact CA-OE1 3.27Å; A108-Q112 PolarHBondContact O-N 3.19Å; S109-Q112 WeakPolarHBondContact O-CB 3.4Å; S109-Q112 PolarHBondContact O-N 3.33Å; T110-Q112 VanDerWaalsContact C-N 3.34Å; T110-Q112 PolarHBondContact O-N 3.28Å; Q112-S115 PolarHBondContact O-N 3.01Å; Q112-D116 PolarHBondContact O-N 3.18Å
113	M	97.6	Very high	95.3	Very high	82 Å²	82	52.5 Å²	52.5	40%	0.404	27%	0.268	S	S	.	.	H	α-helix	trans	-61	-44.1	177.1	-174.7	-146.9	-55.4	0	0	111.6	S109 T110 T111 D116 R117	S109-M113 WeakPolarHBondContact O-CB 3.36Å; S109-M113 PolarHBondContact O-N 3.08Å; T110-M113 PolarHBondContact O-N 3.03Å; T111-M113 PolarHBondContact O-N 2.96Å; M113-D116 WeakPolarHBondContact O-CB 3.27Å; M113-D116 PolarHBondContact O-N 3.49Å; M113-R117 WeakPolarHBondContact O-CG 3.49Å; M113-R117 PolarHBondContact O-N 3.25Å
114	Y	97.7	Very high	95.3	Very high	24 Å²	24	52.5 Å²	52.5	9%	0.094	27%	0.268	C	S	.	.	H	α-helix	trans	-68.2	-35.5	178.9	-72.2	-32	0	0	0	112.9	T110 T111 D116 R117 A118 W140 V152 L159	T110-Y114 HydrophobicContact CG2-CD2 3.78Å; T110-Y114 HydrophobicContact CG2-CE2 3.35Å; T110-Y114 WeakPolarHBondContact O-CD2 3.42Å; T110-Y114 PolarHBondContact O-N 2.81Å; T111-Y114 PolarHBondContact O-N 3.48Å; Y114-D116 VanDerWaalsContact C-N 3.27Å; Y114-D116 PolarHBondContact O-N 2.91Å; Y114-R117 PolarHBondContact O-N 3.21Å; Y114-A118 VanDerWaalsContact O-CB 3.23Å; Y114-A118 WeakPolarHBondContact O-CB 3.45Å; Y114-A118 PolarHBondContact O-N 2.75Å; Y114-W140 AromaticContact CD2-CD2 3.8Å; Y114-W140 HydrophobicContact CD2-CD2 3.8Å; Y114-W140 AromaticContact CD2-CE2 3.71Å; Y114-W140 AromaticContact CD2-CE3 3.95Å; Y114-W140 HydrophobicContact CD2-CE3 3.95Å; Y114-W140 HydrophobicContact CD2-CG 4.42Å; Y114-W140 HydrophobicContact CD2-CH2 4.03Å; Y114-W140 AromaticContact CD2-CZ2 3.85Å; Y114-W140 HydrophobicContact CD2-CZ2 3.85Å; Y114-W140 HydrophobicContact CD2-CZ3 4.07Å; Y114-W140 AromaticContact CE2-CD2 3.61Å; Y114-W140 HydrophobicContact CE2-CD2 3.61Å; Y114-W140 AromaticContact CE2-CE3 3.56Å; Y114-W140 HydrophobicContact CE2-CE3 3.56Å; Y114-W140 HydrophobicContact CE2-CG 4.07Å; Y114-W140 HydrophobicContact CE2-CH2 4.41Å; Y114-W140 HydrophobicContact CE2-CZ2 4.44Å; Y114-W140 AromaticContact CE2-CZ3 3.98Å; Y114-W140 HydrophobicContact CE2-CZ3 3.98Å; Y114-V152 HydrophobicContact CE1-CG1 3.77Å; Y114-L159 HydrophobicContact CD1-CD2 3.86Å; Y114-L159 HydrophobicContact CD2-CD1 4.37Å; Y114-L159 HydrophobicContact CG-CD1 4.09Å; Y114-L159 HydrophobicContact CG-CD2 4.06Å
115	S	97.1	Very high	95.5	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60.4	-36.6	171.1	-61.5	0	0	0	0	112.5	T111 Q112 L120 R121	T111-S115 PolarHBondContact O-N 3.44Å; T111-S115 PolarHBondContact O-OG 3.42Å; Q112-S115 PolarHBondContact O-N 3.01Å; S115-L120 WeakPolarHBondContact O-CA 3.43Å; S115-L120 WeakPolarHBondContact O-CB 3.43Å; S115-L120 PolarHBondContact O-N 2.92Å; S115-R121 PolarHBondContact O-N 2.8Å; S115-R121 VanDerWaalsContact O-N 3.12Å
116	D	95.8	Very high	95.7	Very high	75 Å²	75	52.4 Å²	52.4	40%	0.401	26%	0.255	S	S	.	.	H	α-helix	trans	-67.9	-49	174.7	-166.2	60.7	0	0	0	111.2	Y100 Q112 M113 Y114 A118 R119 R121	Y100-D116 HydrophobicContact CE2-CB 4.08Å; Q112-D116 PolarHBondContact O-N 3.18Å; M113-D116 WeakPolarHBondContact O-CB 3.27Å; M113-D116 PolarHBondContact O-N 3.49Å; Y114-D116 VanDerWaalsContact C-N 3.27Å; Y114-D116 PolarHBondContact O-N 2.91Å; D116-A118 VanDerWaalsContact C-N 3.32Å; D116-A118 PolarHBondContact O-N 2.81Å; D116-R119 PolarHBondContact O-N 3.31Å; D116-R119 VanDerWaalsContact O-N 3.17Å; D116-R121 WeakPolarHBondContact OD1-CD 3.48Å; D116-R121 IonicContact OD1-NE 3.54Å; D116-R121 IonicContact OD1-NH1 2.7Å; D116-R121 PolarHBondContact OD1-NH1 3.4Å
117	R	95.9	Very high	95.9	Very high	136 Å²	136	58.4 Å²	58.4	51%	0.513	29%	0.294	S	S	.	.	H	α-helix	trans	-63.6	-34.5	179.9	-70.8	-174.7	179.9	-169.9	2.1	113.8	M113 Y114 R119 V155	M113-R117 WeakPolarHBondContact O-CG 3.49Å; M113-R117 PolarHBondContact O-N 3.25Å; Y114-R117 PolarHBondContact O-N 3.21Å; R117-R119 PolarHBondContact O-N 3.02Å; R117-V155 HydrophobicContact CB-CG1 4.5Å
118	A	95.8	Very high	96.1	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	4.3	179.6	0	0	0	0	0	113.7	Y114 D116 L120 V155 L159 L160 L163	Y114-A118 VanDerWaalsContact O-CB 3.23Å; Y114-A118 WeakPolarHBondContact O-CB 3.45Å; Y114-A118 PolarHBondContact O-N 2.75Å; D116-A118 VanDerWaalsContact C-N 3.32Å; D116-A118 PolarHBondContact O-N 2.81Å; A118-L120 PolarHBondContact O-N 3.14Å; A118-V155 WeakPolarHBondContact CA-O 3.31Å; A118-V155 WeakPolarHBondContact CB-O 3.48Å; A118-L159 HydrophobicContact CB-CB 4.35Å; A118-L159 HydrophobicContact CB-CD2 4.14Å; A118-L159 HydrophobicContact CB-CG 4.07Å; A118-L160 HydrophobicContact CB-CB 4.14Å; A118-L160 HydrophobicContact CB-CD1 4.38Å; A118-L163 HydrophobicContact CB-CD1 3.93Å
119	R	94.9	Very high	96.1	Very high	191 Å²	191	61.2 Å²	61.2	72%	0.721	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	20.2	-173.6	-52.9	-177.9	177.2	-166.7	-2.1	114.4	D116 R117 R121	D116-R119 PolarHBondContact O-N 3.31Å; D116-R119 VanDerWaalsContact O-N 3.17Å; R117-R119 PolarHBondContact O-N 3.02Å; R119-R121 VanDerWaalsContact C-N 3.31Å
120	L	96.4	Very high	96.2	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.005	30%	0.3	C	S	.	.			trans	-77.1	-20.9	175.3	-179.7	62	0	0	0	112.1	S115 A118 E122 E123 V124 F132 L160 L163 H164 M167	S115-L120 WeakPolarHBondContact O-CA 3.43Å; S115-L120 WeakPolarHBondContact O-CB 3.43Å; S115-L120 PolarHBondContact O-N 2.92Å; A118-L120 PolarHBondContact O-N 3.14Å; L120-E122 VanDerWaalsContact C-N 3.33Å; L120-E122 PolarHBondContact O-N 3.26Å; L120-E123 HydrophobicContact CD1-CB 4.26Å; L120-E123 WeakPolarHBondContact CD1-OE2 3.5Å; L120-E123 WeakPolarHBondContact O-CB 3.46Å; L120-E123 PolarHBondContact O-N 3.21Å; L120-E123 VanDerWaalsContact O-N 3.1Å; L120-V124 HydrophobicContact CD1-CG1 4.22Å; L120-V124 HydrophobicContact CD2-CG1 4.47Å; L120-V124 HydrophobicContact CG-CG1 4.01Å; L120-V124 WeakPolarHBondContact O-CG2 3.29Å; L120-V124 PolarHBondContact O-N 2.94Å; L120-V124 VanDerWaalsContact O-N 3.1Å; L120-F132 HydrophobicContact CD2-CE1 3.97Å; L120-F132 HydrophobicContact CD2-CZ 4.22Å; L120-L160 HydrophobicContact CB-CD1 3.94Å; L120-L160 HydrophobicContact CD1-CD1 4.12Å; L120-L163 HydrophobicContact CD2-CB 3.66Å; L120-L163 HydrophobicContact CD2-CD1 3.96Å; L120-L163 HydrophobicContact CD2-CG 4.42Å; L120-H164 WeakPolarHBondContact CD1-NE2 3.39Å; L120-M167 HydrophobicContact CD1-CE 4.42Å; L120-M167 HydrophobicContact CD1-SD 3.94Å; L120-M167 HydrophobicContact CD2-SD 3.7Å; L120-M167 HydrophobicContact CG-SD 4.28Å
121	R	96.1	Very high	96.2	Very high	87 Å²	87	58.1 Å²	58.1	33%	0.328	29%	0.292	S	S	.	.	H	α-helix	trans	-51.6	-47.2	-176.4	178.1	172.8	-178.2	175.6	1.2	113.7	Y100 S115 D116 R119 E123 V124 E125	Y100-R121 HydrophobicContact CD1-CG 4.44Å; Y100-R121 HydrophobicContact CD2-CB 4.16Å; Y100-R121 HydrophobicContact CD2-CG 3.8Å; Y100-R121 HydrophobicContact CE2-CB 4.22Å; Y100-R121 HydrophobicContact CE2-CG 3.94Å; Y100-R121 HydrophobicContact CG-CG 4.06Å; S115-R121 PolarHBondContact O-N 2.8Å; S115-R121 VanDerWaalsContact O-N 3.12Å; D116-R121 WeakPolarHBondContact OD1-CD 3.48Å; D116-R121 IonicContact OD1-NE 3.54Å; D116-R121 IonicContact OD1-NH1 2.7Å; D116-R121 PolarHBondContact OD1-NH1 3.4Å; R119-R121 VanDerWaalsContact C-N 3.31Å; R121-E123 PolarHBondContact O-N 3.23Å; R121-V124 WeakPolarHBondContact O-CG2 3.41Å; R121-V124 PolarHBondContact O-N 3.42Å; R121-E125 HydrophobicContact CG-CG 4.04Å; R121-E125 IonicContact CZ-OE1 3.93Å; R121-E125 IonicContact NE-OE1 3.9Å; R121-E125 PolarHBondContact NE-OE1 3.43Å; R121-E125 IonicContact NE-OE2 3.22Å; R121-E125 IonicContact NH2-OE1 3.41Å; R121-E125 PolarHBondContact NH2-OE1 2.95Å; R121-E125 WeakPolarHBondContact O-CB 3.38Å; R121-E125 WeakPolarHBondContact O-CG 3.45Å; R121-E125 PolarHBondContact O-N 2.85Å
122	E	94.8	Very high	96.2	Very high	168 Å²	168	58.1 Å²	58.1	79%	0.785	29%	0.292	S	S	*	.	H	α-helix	trans	-60.4	-36.7	-177.7	-64.3	-178.8	-177.1	0	0	111.7	L120 G126	L120-E122 VanDerWaalsContact C-N 3.33Å; L120-E122 PolarHBondContact O-N 3.26Å; E122-G126 PolarHBondContact O-N 3.48Å
123	E	96.2	Very high	96.2	Very high	73 Å²	73	56.2 Å²	56.2	34%	0.341	28%	0.283	S	S	.	.	H	α-helix	trans	-69.9	-47.4	176.7	-177	175	-159.6	0	0	111.8	L120 R121 E125 G126 F130 H164 M186	L120-E123 HydrophobicContact CD1-CB 4.26Å; L120-E123 WeakPolarHBondContact CD1-OE2 3.5Å; L120-E123 WeakPolarHBondContact O-CB 3.46Å; L120-E123 PolarHBondContact O-N 3.21Å; L120-E123 VanDerWaalsContact O-N 3.1Å; R121-E123 PolarHBondContact O-N 3.23Å; E123-E125 VanDerWaalsContact C-N 3.32Å; E123-E125 PolarHBondContact O-N 3.19Å; E123-G126 PolarHBondContact O-N 2.69Å; E123-F130 HydrophobicContact CG-CZ 4.23Å; E123-H164 IonicContact OE2-CD2 2.85Å; E123-H164 IonicContact OE2-CE1 3.71Å; E123-H164 IonicContact OE2-NE2 3.29Å; E123-H164 PolarHBondContact OE2-NE2 2.9Å; E123-M186 WeakPolarHBondContact OE1-CE 3.39Å
124	V	95.9	Very high	96.3	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-79.4	-9.3	-178.1	-64.8	0	0	0	0	114.4	I99 Y100 L120 R121 F132 M167 N218	I99-V124 HydrophobicContact CB-CB 4.14Å; I99-V124 HydrophobicContact CG2-CB 3.93Å; I99-V124 HydrophobicContact CG2-CG1 4.16Å; I99-V124 PolarHBondContact N-O 3.19Å; Y100-V124 HydrophobicContact CD2-CG2 4.42Å; L120-V124 HydrophobicContact CD1-CG1 4.22Å; L120-V124 HydrophobicContact CD2-CG1 4.47Å; L120-V124 HydrophobicContact CG-CG1 4.01Å; L120-V124 WeakPolarHBondContact O-CG2 3.29Å; L120-V124 PolarHBondContact O-N 2.94Å; L120-V124 VanDerWaalsContact O-N 3.1Å; R121-V124 WeakPolarHBondContact O-CG2 3.41Å; R121-V124 PolarHBondContact O-N 3.42Å; V124-F132 HydrophobicContact CG1-CD1 4.38Å; V124-F132 HydrophobicContact CG1-CE1 4.44Å; V124-M167 HydrophobicContact CG1-CE 3.41Å; V124-M167 VanDerWaalsContact CG1-CE 3.41Å; V124-M167 HydrophobicContact CG1-SD 4.05Å; V124-N218 PolarHBondContact O-ND2 3.34Å
125	E	96.5	Very high	96.3	Very high	70 Å²	70	51.1 Å²	51.1	33%	0.327	26%	0.259	S	S	.	.	H	α-helix	trans	-91.8	-26	165.3	-68.8	-172.9	162.2	0	0	112.3	Y100 R121 E123	Y100-E125 WeakPolarHBondContact CD1-OE1 3.49Å; Y100-E125 HydrophobicContact CG-CG 4.28Å; R121-E125 HydrophobicContact CG-CG 4.04Å; R121-E125 IonicContact CZ-OE1 3.93Å; R121-E125 IonicContact NE-OE1 3.9Å; R121-E125 PolarHBondContact NE-OE1 3.43Å; R121-E125 IonicContact NE-OE2 3.22Å; R121-E125 IonicContact NH2-OE1 3.41Å; R121-E125 PolarHBondContact NH2-OE1 2.95Å; R121-E125 WeakPolarHBondContact O-CB 3.38Å; R121-E125 WeakPolarHBondContact O-CG 3.45Å; R121-E125 PolarHBondContact O-N 2.85Å; E123-E125 VanDerWaalsContact C-N 3.32Å; E123-E125 PolarHBondContact O-N 3.19Å
126	G	93.4	Very high	96.3	Very high	23 Å²	23	51.5 Å²	51.5	24%	0.237	26%	0.262	C	S	.	.	S	Bend	trans	-74	-178.4	-176.1	0	0	0	0	0	115.5	E122 E123 N218	E122-G126 PolarHBondContact O-N 3.48Å; E123-G126 PolarHBondContact O-N 2.69Å; G126-N218 PolarHBondContact O-ND2 2.77Å
127	P	94.1	Very high	96.3	Very high	132 Å²	132	50.1 Å²	50.1	86%	0.857	25%	0.254	S	S	*	.	S	Bend	trans	-68.4	139	179.1	30	-34.5	0	0	0	111
128	G	94	Very high	96.2	Very high	43 Å²	43	49.4 Å²	49.4	44%	0.443	26%	0.256	S	S	.	.	S	Bend	trans	159.2	-177.5	179	0	0	0	0	0	112	N218	G128-N218 WeakPolarHBondContact O-CA 3.24Å; G128-N218 WeakPolarHBondContact O-CB 3.48Å
129	S	96.3	Very high	96.2	Very high	57 Å²	57	49.6 Å²	49.6	40%	0.399	26%	0.258	S	S	.	.			trans	-136.6	104.7	173.6	-177.4	0	0	0	0	107.1	N169 R170 R171 N218	S129-N169 CarbonylContact O-C 3.49Å; S129-R170 CarbonylContact O-C 3.55Å; S129-R170 WeakPolarHBondContact O-CA 3.24Å; S129-R170 PolarHBondContact O-N 2.94Å; S129-R171 WeakPolarHBondContact OG-CB 3.45Å; S129-R171 PolarHBondContact OG-N 3.09Å; S129-N218 VanDerWaalsContact CA-O 3.3Å; S129-N218 WeakPolarHBondContact CA-O 3.18Å
130	F	97.5	Very high	96.3	Very high	18 Å²	18	40.7 Å²	40.7	8%	0.079	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	158.6	-174.8	-42.9	-85.3	0	0	0	112.2	I99 E123 M167 V168 R170 M186 N218 G219 I220	I99-F130 HydrophobicContact CD1-CB 3.56Å; I99-F130 HydrophobicContact CD1-CD2 4Å; I99-F130 HydrophobicContact CD1-CG 4.25Å; E123-F130 HydrophobicContact CG-CZ 4.23Å; F130-M167 HydrophobicContact CB-CE 4.31Å; F130-M167 HydrophobicContact CD1-CE 4.22Å; F130-M167 HydrophobicContact CG-CE 4.28Å; F130-V168 CarbonylContact C-O 3.34Å; F130-V168 VanDerWaalsContact CA-O 3.32Å; F130-V168 WeakPolarHBondContact CA-O 3.41Å; F130-R170 CarbonylContact C-O 3.39Å; F130-M186 HydrophobicContact CD1-CE 4.01Å; F130-M186 HydrophobicContact CD1-SD 3.73Å; F130-M186 HydrophobicContact CE1-CE 3.86Å; F130-M186 HydrophobicContact CE1-SD 4.21Å; F130-N218 WeakPolarHBondContact CD2-O 3.47Å; F130-N218 PolarHBondContact N-O 2.82Å; F130-G219 CarbonylContact O-C 3.06Å; F130-G219 WeakPolarHBondContact O-CA 3.28Å; F130-I220 PolarHBondContact O-N 2.97Å
131	T	98.3	Very high	96.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	127.3	161	-62.2	0	0	0	0	108	F133 M167 V168 R170 L172 I220	T131-F133 HydrophobicContact CG2-CD1 4.48Å; T131-F133 HydrophobicContact CG2-CD2 4.39Å; T131-F133 HydrophobicContact CG2-CE1 4.04Å; T131-F133 HydrophobicContact CG2-CE2 3.93Å; T131-F133 HydrophobicContact CG2-CZ 3.75Å; T131-M167 CarbonylContact O-C 3.47Å; T131-M167 VanDerWaalsContact O-CA 3.23Å; T131-M167 WeakPolarHBondContact O-CA 3.31Å; T131-V168 PolarHBondContact N-O 3.17Å; T131-V168 PolarHBondContact O-N 3.43Å; T131-R170 WeakPolarHBondContact CB-O 3.22Å; T131-R170 PolarHBondContact N-O 2.94Å; T131-R170 PolarHBondContact OG1-O 2.95Å; T131-L172 HydrophobicContact CG2-CB 4.15Å; T131-L172 WeakPolarHBondContact OG1-CB 3.32Å; T131-L172 PolarHBondContact OG1-N 2.79Å; T131-I220 CarbonylContact C-O 3.48Å; T131-I220 WeakPolarHBondContact CA-O 3.11Å; T131-I220 HydrophobicContact CG2-CG2 3.92Å; T131-I220 WeakPolarHBondContact OG1-CG2 3.14Å
132	F	98.4	Very high	96.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	111.7	174.4	-155	142.3	0	0	0	109.3	I99 L103 T111 L120 V124 A134 L163 H166 M167 I220 V221 H222	I99-F132 HydrophobicContact CG2-CB 4.17Å; I99-F132 HydrophobicContact CG2-CD1 3.74Å; I99-F132 HydrophobicContact CG2-CG 4.43Å; L103-F132 HydrophobicContact CD1-CD1 4.42Å; L103-F132 HydrophobicContact CD1-CE1 4.2Å; T111-F132 HydrophobicContact CG2-CE2 3.85Å; T111-F132 HydrophobicContact CG2-CZ 3.81Å; L120-F132 HydrophobicContact CD2-CE1 3.97Å; L120-F132 HydrophobicContact CD2-CZ 4.22Å; V124-F132 HydrophobicContact CG1-CD1 4.38Å; V124-F132 HydrophobicContact CG1-CE1 4.44Å; F132-A134 VanDerWaalsContact C-N 3.29Å; F132-A134 HydrophobicContact CD2-CB 4.14Å; F132-A134 PolarHBondContact O-N 3.25Å; F132-A134 VanDerWaalsContact O-N 3.09Å; F132-L163 HydrophobicContact CZ-CB 4.38Å; F132-L163 HydrophobicContact CZ-CD2 4.1Å; F132-H166 HydrophobicContact CD2-CB 4.26Å; F132-H166 HydrophobicContact CE2-CB 3.92Å; F132-M167 HydrophobicContact CB-CG 4.38Å; F132-M167 HydrophobicContact CD1-CE 4.44Å; F132-M167 HydrophobicContact CD1-CG 3.81Å; F132-M167 HydrophobicContact CD1-SD 3.87Å; F132-M167 HydrophobicContact CD2-CG 4.02Å; F132-M167 HydrophobicContact CE1-CG 4.01Å; F132-M167 HydrophobicContact CE1-SD 3.74Å; F132-M167 HydrophobicContact CE2-CG 4.2Å; F132-M167 HydrophobicContact CG-CG 3.82Å; F132-M167 HydrophobicContact CG-SD 4.49Å; F132-M167 HydrophobicContact CZ-CG 4.19Å; F132-M167 HydrophobicContact CZ-SD 4.24Å; F132-I220 PolarHBondContact N-O 3.13Å; F132-V221 HydrophobicContact CB-CG2 4.34Å; F132-V221 WeakPolarHBondContact O-CA 3.2Å; F132-H222 PolarHBondContact O-N 3.42Å
133	F	98.4	Very high	96.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	77.4	168	-59.9	-70.7	0	0	0	109.6	T131 P135 H166 V168 L177 V192 I194 V204 L209 H222 I224	T131-F133 HydrophobicContact CG2-CD1 4.48Å; T131-F133 HydrophobicContact CG2-CD2 4.39Å; T131-F133 HydrophobicContact CG2-CE1 4.04Å; T131-F133 HydrophobicContact CG2-CE2 3.93Å; T131-F133 HydrophobicContact CG2-CZ 3.75Å; F133-P135 VanDerWaalsContact O-CD 3.3Å; F133-P135 WeakPolarHBondContact O-CD 3.48Å; F133-H166 WeakPolarHBondContact CD2-O 3.17Å; F133-H166 PolarHBondContact N-O 3Å; F133-H166 PolarHBondContact O-CD2 2.96Å; F133-H166 VanDerWaalsContact O-CD2 3.23Å; F133-V168 HydrophobicContact CE2-CG2 3.97Å; F133-L177 HydrophobicContact CE1-CD1 4.16Å; F133-L177 HydrophobicContact CE1-CD2 4.37Å; F133-L177 HydrophobicContact CZ-CD2 4.15Å; F133-V192 HydrophobicContact CE2-CG2 4Å; F133-I194 HydrophobicContact CZ-CD1 4.27Å; F133-V204 HydrophobicContact CD1-CB 4.47Å; F133-V204 HydrophobicContact CD1-CG1 4.32Å; F133-V204 HydrophobicContact CD1-CG2 3.67Å; F133-V204 HydrophobicContact CD2-CG1 4.23Å; F133-V204 HydrophobicContact CE1-CG1 4.5Å; F133-V204 HydrophobicContact CE1-CG2 3.69Å; F133-V204 HydrophobicContact CE2-CG1 4.42Å; F133-V204 HydrophobicContact CG-CG1 4.17Å; F133-V204 HydrophobicContact CG-CG2 4.34Å; F133-V204 HydrophobicContact CZ-CG2 4.36Å; F133-L209 HydrophobicContact CD1-CD1 4.4Å; F133-H222 CarbonylContact C-O 3.56Å; F133-H222 WeakPolarHBondContact CA-O 3.16Å; F133-H222 HydrophobicContact CD1-CB 3.95Å; F133-H222 AromaticContact CD1-CD2 3.93Å; F133-H222 HydrophobicContact CE1-CB 4.4Å; F133-H222 AromaticContact CE1-CD2 3.64Å; F133-I224 HydrophobicContact CB-CD1 4.11Å; F133-I224 HydrophobicContact CB-CG2 4.3Å
134	A	98.3	Very high	96.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	119	-171.7	0	0	0	0	0	112	L103 A108 T111 F132 V221 H222 V223 I224	L103-A134 HydrophobicContact CD2-CB 3.36Å; A108-A134 HydrophobicContact CB-CB 4.16Å; T111-A134 HydrophobicContact CG2-CB 4.03Å; F132-A134 VanDerWaalsContact C-N 3.29Å; F132-A134 HydrophobicContact CD2-CB 4.14Å; F132-A134 PolarHBondContact O-N 3.25Å; F132-A134 VanDerWaalsContact O-N 3.09Å; A134-V221 HydrophobicContact CB-CG1 3.85Å; A134-H222 PolarHBondContact N-O 2.63Å; A134-V223 CarbonylContact O-C 3.54Å; A134-V223 VanDerWaalsContact O-CA 3.24Å; A134-V223 WeakPolarHBondContact O-CA 3.21Å; A134-I224 PolarHBondContact O-N 3.22Å
135	P	98.4	Very high	96	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	144	171.7	-20.6	33.3	0	0	0	111.1	T111 F133 A139 W140 H166 I224 V227	T111-P135 PolarHBondContact OG1-O 2.82Å; F133-P135 VanDerWaalsContact O-CD 3.3Å; F133-P135 WeakPolarHBondContact O-CD 3.48Å; P135-A139 HydrophobicContact CB-CB 3.83Å; P135-W140 HydrophobicContact CG-CZ2 4.2Å; P135-H166 VanDerWaalsContact CG-CD2 3.42Å; P135-H166 WeakPolarHBondContact CG-CD2 3.48Å; P135-H166 WeakPolarHBondContact CG-NE2 3.09Å; P135-I224 HydrophobicContact CB-CG1 4.49Å; P135-I224 HydrophobicContact CG-CD1 4.47Å; P135-I224 HydrophobicContact CG-CG1 4.43Å; P135-V227 HydrophobicContact CB-CG2 3.81Å; P135-V227 HydrophobicContact CG-CB 4.4Å; P135-V227 HydrophobicContact CG-CG2 4Å
136	S	96.6	Very high	95.9	Very high	8 Å²	8	44.4 Å²	44.4	6%	0.056	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-70.1	168.7	173.9	87.2	0	0	0	0	111.6	E138 A139 W140 I224	S136-E138 VanDerWaalsContact C-N 3.26Å; S136-E138 WeakPolarHBondContact CB-OE2 3.34Å; S136-E138 PolarHBondContact O-N 3.49Å; S136-E138 PolarHBondContact OG-N 3.46Å; S136-E138 PolarHBondContact OG-OE2 3.2Å; S136-A139 WeakPolarHBondContact O-CB 3.19Å; S136-A139 PolarHBondContact O-N 3.03Å; S136-A139 PolarHBondContact OG-N 2.86Å; S136-W140 PolarHBondContact O-N 3.29Å; S136-I224 PolarHBondContact N-O 3.07Å
137	N	96.4	Very high	95.9	Very high	46 Å²	46	47.4 Å²	47.4	25%	0.246	30%	0.302	C	S	.	.	H	α-helix	trans	-61.8	-38.5	175.6	-66.4	-12.1	0	0	0	111.5	G107 S109 T110 A139 W140 A141	G107-N137 PolarHBondContact O-ND2 3.42Å; G107-N137 PolarHBondContact O-OD1 3.02Å; S109-N137 PolarHBondContact N-OD1 3.46Å; S109-N137 VanDerWaalsContact N-OD1 3.11Å; S109-N137 PolarHBondContact OG-ND2 2.64Å; S109-N137 PolarHBondContact OG-OD1 3.18Å; T110-N137 PolarHBondContact N-OD1 2.96Å; T110-N137 PolarHBondContact OG1-OD1 3.17Å; N137-A139 VanDerWaalsContact C-N 3.32Å; N137-W140 PolarHBondContact O-N 3.38Å; N137-A141 WeakPolarHBondContact O-CB 3.41Å; N137-A141 PolarHBondContact O-N 2.95Å
138	E	94.4	Very high	95.9	Very high	120 Å²	120	43.3 Å²	43.3	56%	0.561	27%	0.272	S	S	*	.	H	α-helix	trans	-66.2	-35.4	175.9	-56.9	74.1	-161.7	0	0	111.7	S136 A141 A142	S136-E138 VanDerWaalsContact C-N 3.26Å; S136-E138 WeakPolarHBondContact CB-OE2 3.34Å; S136-E138 PolarHBondContact O-N 3.49Å; S136-E138 PolarHBondContact OG-N 3.46Å; S136-E138 PolarHBondContact OG-OE2 3.2Å; E138-A141 PolarHBondContact O-N 3.04Å; E138-A142 VanDerWaalsContact O-CB 3.3Å; E138-A142 WeakPolarHBondContact O-CB 3.38Å; E138-A142 PolarHBondContact O-N 3.11Å
139	A	95.7	Very high	95.9	Very high	4 Å²	4	46.2 Å²	46.2	3%	0.033	28%	0.278	C	S	.	.	H	α-helix	trans	-61.3	-45	176.4	0	0	0	0	0	111.9	P135 S136 N137 A142 D225 V227	P135-A139 HydrophobicContact CB-CB 3.83Å; S136-A139 WeakPolarHBondContact O-CB 3.19Å; S136-A139 PolarHBondContact O-N 3.03Å; S136-A139 PolarHBondContact OG-N 2.86Å; N137-A139 VanDerWaalsContact C-N 3.32Å; A139-A142 PolarHBondContact O-N 3.49Å; A139-D225 WeakPolarHBondContact CB-O 3.42Å; A139-V227 HydrophobicContact CB-CG2 4.45Å
140	W	97.1	Very high	95.8	Very high	5 Å²	5	46 Å²	46	2%	0.019	28%	0.28	C	S	.	.	H	α-helix	trans	-66.8	-39.8	174.8	-75.4	108.2	0	0	0	112.5	T110 T111 Y114 P135 S136 N137 A142 L143 L148 L151 L159 L163 V227	T110-W140 HydrophobicContact CG2-CB 3.68Å; T110-W140 HydrophobicContact CG2-CD2 4.31Å; T110-W140 HydrophobicContact CG2-CG 3.57Å; T111-W140 PolarHBondContact OG1-NE1 3.18Å; Y114-W140 AromaticContact CD2-CD2 3.8Å; Y114-W140 HydrophobicContact CD2-CD2 3.8Å; Y114-W140 AromaticContact CD2-CE2 3.71Å; Y114-W140 AromaticContact CD2-CE3 3.95Å; Y114-W140 HydrophobicContact CD2-CE3 3.95Å; Y114-W140 HydrophobicContact CD2-CG 4.42Å; Y114-W140 HydrophobicContact CD2-CH2 4.03Å; Y114-W140 AromaticContact CD2-CZ2 3.85Å; Y114-W140 HydrophobicContact CD2-CZ2 3.85Å; Y114-W140 HydrophobicContact CD2-CZ3 4.07Å; Y114-W140 AromaticContact CE2-CD2 3.61Å; Y114-W140 HydrophobicContact CE2-CD2 3.61Å; Y114-W140 AromaticContact CE2-CE3 3.56Å; Y114-W140 HydrophobicContact CE2-CE3 3.56Å; Y114-W140 HydrophobicContact CE2-CG 4.07Å; Y114-W140 HydrophobicContact CE2-CH2 4.41Å; Y114-W140 HydrophobicContact CE2-CZ2 4.44Å; Y114-W140 AromaticContact CE2-CZ3 3.98Å; Y114-W140 HydrophobicContact CE2-CZ3 3.98Å; P135-W140 HydrophobicContact CG-CZ2 4.2Å; S136-W140 PolarHBondContact O-N 3.29Å; N137-W140 PolarHBondContact O-N 3.38Å; W140-A142 PolarHBondContact O-N 2.96Å; W140-L143 HydrophobicContact CE3-CD1 3.67Å; W140-L143 HydrophobicContact CZ3-CD1 3.83Å; W140-L143 PolarHBondContact O-N 3.13Å; W140-L148 HydrophobicContact CE3-CD1 4.19Å; W140-L151 HydrophobicContact CZ3-CD1 3.97Å; W140-L159 HydrophobicContact CH2-CD1 4.15Å; W140-L163 HydrophobicContact CH2-CD2 4.49Å; W140-L163 HydrophobicContact CZ2-CD2 4.01Å; W140-V227 HydrophobicContact CD2-CG2 3.68Å; W140-V227 HydrophobicContact CE3-CG2 3.72Å; W140-V227 HydrophobicContact CG-CG2 4.18Å; W140-V227 HydrophobicContact CH2-CG1 4.03Å; W140-V227 HydrophobicContact CH2-CG2 4.26Å; W140-V227 HydrophobicContact CZ2-CG1 4.47Å; W140-V227 HydrophobicContact CZ2-CG2 4.24Å; W140-V227 HydrophobicContact CZ3-CG1 4.15Å; W140-V227 HydrophobicContact CZ3-CG2 4.02Å
141	A	95.6	Very high	95.6	Very high	84 Å²	84	46.2 Å²	46.2	69%	0.694	28%	0.281	S	S	*	.	H	α-helix	trans	-68.4	-21.8	178.2	0	0	0	0	0	113.3	N137 E138	N137-A141 WeakPolarHBondContact O-CB 3.41Å; N137-A141 PolarHBondContact O-N 2.95Å; E138-A141 PolarHBondContact O-N 3.04Å
142	A	93.9	Very high	95.3	Very high	83 Å²	83	48.2 Å²	48.2	69%	0.686	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-5.5	178.4	0	0	0	0	0	113.8	E138 A139 W140	E138-A142 VanDerWaalsContact O-CB 3.3Å; E138-A142 WeakPolarHBondContact O-CB 3.38Å; E138-A142 PolarHBondContact O-N 3.11Å; A139-A142 PolarHBondContact O-N 3.49Å; W140-A142 PolarHBondContact O-N 2.96Å
143	L	94.6	Very high	95	Very high	34 Å²	34	52.4 Å²	52.4	18%	0.178	32%	0.323	C	S	.	.	S	Bend	trans	-67.4	143.5	174.5	-77.7	-179.3	0	0	0	111.2	W140 I147 L148 L151 V227	W140-L143 HydrophobicContact CE3-CD1 3.67Å; W140-L143 HydrophobicContact CZ3-CD1 3.83Å; W140-L143 PolarHBondContact O-N 3.13Å; L143-I147 HydrophobicContact CD2-CG2 4.45Å; L143-L148 HydrophobicContact CB-CB 4.46Å; L143-L148 HydrophobicContact CD1-CD1 4.38Å; L143-L151 HydrophobicContact CD1-CD1 4.18Å; L143-V227 HydrophobicContact CD1-CB 4.15Å; L143-V227 HydrophobicContact CD1-CG1 4.3Å; L143-V227 HydrophobicContact CD1-CG2 3.85Å; L143-V227 HydrophobicContact CD2-CB 4.11Å; L143-V227 HydrophobicContact CD2-CG2 4.41Å; L143-V227 HydrophobicContact CG-CB 4.3Å; L143-V227 HydrophobicContact CG-CG2 4.05Å
144	P	95.1	Very high	94.7	Very high	62 Å²	62	55 Å²	55	40%	0.403	34%	0.337	S	S	.	.			trans	-54	142.6	166.9	-24.1	34.3	0	0	0	111.2	E146 I147 L148	P144-E146 PolarHBondContact O-N 2.81Å; P144-I147 HydrophobicContact CB-CB 4.49Å; P144-I147 HydrophobicContact CB-CD1 4.31Å; P144-I147 HydrophobicContact CB-CG1 4.21Å; P144-I147 HydrophobicContact CG-CD1 3.9Å; P144-I147 HydrophobicContact CG-CG1 4.35Å; P144-I147 PolarHBondContact O-N 2.97Å; P144-I147 VanDerWaalsContact O-N 3.16Å; P144-L148 PolarHBondContact O-N 2.75Å
145	A	93.6	Very high	94.4	Very high	69 Å²	69	56.8 Å²	56.8	57%	0.57	35%	0.347	S	S	*	.	H	α-helix	trans	-59.9	-35.6	-175.3	0	0	0	0	0	111.8	L148 D149	A145-L148 PolarHBondContact O-N 3.01Å; A145-D149 VanDerWaalsContact O-CB 3.31Å; A145-D149 WeakPolarHBondContact O-CB 3.29Å; A145-D149 PolarHBondContact O-N 2.87Å
146	E	94.3	Very high	94.1	Very high	144 Å²	144	60.7 Å²	60.7	67%	0.673	37%	0.368	S	S	*	.	H	α-helix	trans	-66	-43.4	179.7	-56.5	73.8	-160.2	0	0	111.4	P144 A150	P144-E146 PolarHBondContact O-N 2.81Å; E146-A150 WeakPolarHBondContact O-CB 3.46Å; E146-A150 PolarHBondContact O-N 3.44Å
147	I	93.6	Very high	93.9	Very high	87 Å²	87	64.4 Å²	64.4	45%	0.446	39%	0.387	S	S	.	.	H	α-helix	trans	-68.5	-43.2	177.6	-61.8	-177.3	0	0	0	109.8	L143 P144 A150 L151	L143-I147 HydrophobicContact CD2-CG2 4.45Å; P144-I147 HydrophobicContact CB-CB 4.49Å; P144-I147 HydrophobicContact CB-CD1 4.31Å; P144-I147 HydrophobicContact CB-CG1 4.21Å; P144-I147 HydrophobicContact CG-CD1 3.9Å; P144-I147 HydrophobicContact CG-CG1 4.35Å; P144-I147 PolarHBondContact O-N 2.97Å; P144-I147 VanDerWaalsContact O-N 3.16Å; I147-A150 PolarHBondContact O-N 2.73Å; I147-L151 HydrophobicContact CG2-CD1 4.26Å; I147-L151 WeakPolarHBondContact O-CG 3.25Å; I147-L151 PolarHBondContact O-N 3.23Å; I147-L151 VanDerWaalsContact O-N 3.1Å
148	L	94.3	Very high	93.7	Very high	45 Å²	45	66.6 Å²	66.6	24%	0.236	40%	0.395	C	S	.	.	H	α-helix	trans	-62.2	-45	178.7	-175.2	62.5	0	0	0	111.2	W140 L143 P144 A145 L151 V152	W140-L148 HydrophobicContact CE3-CD1 4.19Å; L143-L148 HydrophobicContact CB-CB 4.46Å; L143-L148 HydrophobicContact CD1-CD1 4.38Å; P144-L148 PolarHBondContact O-N 2.75Å; A145-L148 PolarHBondContact O-N 3.01Å; L148-L151 PolarHBondContact O-N 3.36Å; L148-V152 HydrophobicContact CD1-CG1 4.17Å; L148-V152 WeakPolarHBondContact O-CG1 3.49Å; L148-V152 WeakPolarHBondContact O-CG2 3.39Å; L148-V152 PolarHBondContact O-N 3.25Å
149	D	93.6	Very high	93.8	Very high	105 Å²	105	60.9 Å²	60.9	56%	0.561	37%	0.369	S	S	*	.	H	α-helix	trans	-61.7	-43.5	177.6	-171.3	63.3	0	0	0	112.1	A145 L151 V152 S153	A145-D149 VanDerWaalsContact O-CB 3.31Å; A145-D149 WeakPolarHBondContact O-CB 3.29Å; A145-D149 PolarHBondContact O-N 2.87Å; D149-L151 VanDerWaalsContact C-N 3.3Å; D149-L151 PolarHBondContact O-N 3.26Å; D149-V152 PolarHBondContact O-N 3.04Å; D149-S153 WeakPolarHBondContact O-CB 3.25Å; D149-S153 PolarHBondContact O-N 3.25Å; D149-S153 PolarHBondContact O-OG 2.96Å
150	A	93	Very high	93.9	Very high	52 Å²	52	62.5 Å²	62.5	43%	0.43	38%	0.377	S	S	.	.	H	α-helix	trans	-58.9	-40	175.5	0	0	0	0	0	112.4	E146 I147 S153	E146-A150 WeakPolarHBondContact O-CB 3.46Å; E146-A150 PolarHBondContact O-N 3.44Å; I147-A150 PolarHBondContact O-N 2.73Å; A150-S153 PolarHBondContact O-OG 2.85Å
151	L	93.2	Very high	93.8	Very high	22 Å²	22	64.3 Å²	64.3	12%	0.115	39%	0.387	C	S	.	.	H	α-helix	trans	-69.7	-48.1	177	-68.6	171.3	0	0	0	111.9	W140 L143 I147 L148 D149 N154 E158 L159 A162	W140-L151 HydrophobicContact CZ3-CD1 3.97Å; L143-L151 HydrophobicContact CD1-CD1 4.18Å; I147-L151 HydrophobicContact CG2-CD1 4.26Å; I147-L151 WeakPolarHBondContact O-CG 3.25Å; I147-L151 PolarHBondContact O-N 3.23Å; I147-L151 VanDerWaalsContact O-N 3.1Å; L148-L151 PolarHBondContact O-N 3.36Å; D149-L151 VanDerWaalsContact C-N 3.3Å; D149-L151 PolarHBondContact O-N 3.26Å; L151-N154 CarbonylContact O-C 3.59Å; L151-E158 HydrophobicContact CD2-CB 4.26Å; L151-L159 HydrophobicContact CB-CD1 4.39Å; L151-A162 HydrophobicContact CD2-CB 3.85Å
152	V	92.9	Very high	93.9	Very high	43 Å²	43	61.2 Å²	61.2	26%	0.261	36%	0.361	S	S	.	.	H	α-helix	trans	-79.7	-19.7	-173	-57.4	0	0	0	0	113.8	Y114 L148 D149 N154 V155	Y114-V152 HydrophobicContact CE1-CG1 3.77Å; L148-V152 HydrophobicContact CD1-CG1 4.17Å; L148-V152 WeakPolarHBondContact O-CG1 3.49Å; L148-V152 WeakPolarHBondContact O-CG2 3.39Å; L148-V152 PolarHBondContact O-N 3.25Å; D149-V152 PolarHBondContact O-N 3.04Å; V152-N154 VanDerWaalsContact C-N 3.35Å; V152-V155 WeakPolarHBondContact O-CG1 3.46Å
153	S	92.4	Very high	94.1	Very high	87 Å²	87	57.3 Å²	57.3	61%	0.608	33%	0.329	S	S	*	.	H	α-helix	trans	-73.7	-27.1	174.4	57.9	0	0	0	0	112.5	D149 A150	D149-S153 WeakPolarHBondContact O-CB 3.25Å; D149-S153 PolarHBondContact O-N 3.25Å; D149-S153 PolarHBondContact O-OG 2.96Å; A150-S153 PolarHBondContact O-OG 2.85Å
154	N	92.1	Very high	94.2	Very high	56 Å²	56	57 Å²	57	30%	0.299	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.6	67.4	178.3	-168.8	-1.7	0	0	0	112.1	L151 V152 N156 I157 E158 L159	L151-N154 CarbonylContact O-C 3.59Å; V152-N154 VanDerWaalsContact C-N 3.35Å; N154-N156 VanDerWaalsContact C-N 3.29Å; N154-N156 PolarHBondContact O-N 3.29Å; N154-I157 PolarHBondContact O-N 3.27Å; N154-E158 HydrophobicContact CB-CB 4.21Å; N154-E158 HydrophobicContact CB-CG 3.88Å; N154-E158 PolarHBondContact O-N 2.83Å; N154-L159 PolarHBondContact O-N 2.81Å
155	V	92.5	Very high	94.3	Very high	36 Å²	36	54.3 Å²	54.3	22%	0.218	31%	0.308	C	S	.	.	I	π-helix	trans	-63.6	-29.3	-172.6	-59.8	0	0	0	0	114.7	R117 A118 V152 I157 L159 L160	R117-V155 HydrophobicContact CB-CG1 4.5Å; A118-V155 WeakPolarHBondContact CA-O 3.31Å; A118-V155 WeakPolarHBondContact CB-O 3.48Å; V152-V155 WeakPolarHBondContact O-CG1 3.46Å; V155-I157 VanDerWaalsContact C-N 3.35Å; V155-L159 HydrophobicContact CB-CB 4.45Å; V155-L159 HydrophobicContact CB-CD2 4.18Å; V155-L159 HydrophobicContact CG1-CD2 3.99Å; V155-L160 PolarHBondContact O-N 3.02Å
156	N	90.6	Very high	94.6	Very high	82 Å²	82	51 Å²	51	44%	0.439	28%	0.281	S	S	.	.	I	π-helix	trans	-81.3	-16.4	-175.5	-63.9	-41.8	0	0	0	113	N154	N154-N156 VanDerWaalsContact C-N 3.29Å; N154-N156 PolarHBondContact O-N 3.29Å
157	I	92	Very high	94.8	Very high	87 Å²	87	44.2 Å²	44.2	45%	0.446	25%	0.249	S	C	.	.	I	π-helix	trans	-122.3	-68.7	-176.9	-57.6	174	0	0	0	109.1	N154 V155 L160 N161	N154-I157 PolarHBondContact O-N 3.27Å; V155-I157 VanDerWaalsContact C-N 3.35Å; I157-L160 PolarHBondContact O-N 2.92Å; I157-N161 WeakPolarHBondContact O-CB 3.3Å; I157-N161 PolarHBondContact O-N 3.04Å; I157-N161 PolarHBondContact O-ND2 3.37Å; I157-N161 VanDerWaalsContact O-ND2 3.11Å
158	E	94.2	Very high	95	Very high	91 Å²	91	40.1 Å²	40.1	43%	0.425	23%	0.228	S	C	.	.	I	π-helix	trans	-66.7	-49.9	-172	-62.7	-55.7	146.8	0	0	112.2	L151 N154 N161 A162	L151-E158 HydrophobicContact CD2-CB 4.26Å; N154-E158 HydrophobicContact CB-CB 4.21Å; N154-E158 HydrophobicContact CB-CG 3.88Å; N154-E158 PolarHBondContact O-N 2.83Å; E158-N161 PolarHBondContact O-N 3.4Å; E158-A162 VanDerWaalsContact O-CB 3.28Å; E158-A162 WeakPolarHBondContact O-CB 3.43Å; E158-A162 PolarHBondContact O-N 2.99Å
159	L	96.1	Very high	95	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	25%	0.246	C	C	.	.	I	π-helix	trans	-65.7	-42.2	178.5	-172	60	0	0	0	111.8	Y114 A118 W140 L151 N154 V155 A162 L163	Y114-L159 HydrophobicContact CD1-CD2 3.86Å; Y114-L159 HydrophobicContact CD2-CD1 4.37Å; Y114-L159 HydrophobicContact CG-CD1 4.09Å; Y114-L159 HydrophobicContact CG-CD2 4.06Å; A118-L159 HydrophobicContact CB-CB 4.35Å; A118-L159 HydrophobicContact CB-CD2 4.14Å; A118-L159 HydrophobicContact CB-CG 4.07Å; W140-L159 HydrophobicContact CH2-CD1 4.15Å; L151-L159 HydrophobicContact CB-CD1 4.39Å; N154-L159 PolarHBondContact O-N 2.81Å; V155-L159 HydrophobicContact CB-CB 4.45Å; V155-L159 HydrophobicContact CB-CD2 4.18Å; V155-L159 HydrophobicContact CG1-CD2 3.99Å; L159-A162 PolarHBondContact O-N 2.8Å; L159-L163 HydrophobicContact CD1-CG 4.47Å; L159-L163 HydrophobicContact CG-CD1 4.19Å; L159-L163 VanDerWaalsContact O-CG 3.25Å; L159-L163 WeakPolarHBondContact O-CG 3.31Å; L159-L163 PolarHBondContact O-N 3.48Å
160	L	96.8	Very high	95.2	Very high	38 Å²	38	44.1 Å²	44.1	20%	0.199	24%	0.241	C	C	.	.	H	α-helix	trans	-61.2	-49.2	177.6	-179.4	59.4	0	0	0	111.1	A118 L120 V155 I157 A162 L163 H164	A118-L160 HydrophobicContact CB-CB 4.14Å; A118-L160 HydrophobicContact CB-CD1 4.38Å; L120-L160 HydrophobicContact CB-CD1 3.94Å; L120-L160 HydrophobicContact CD1-CD1 4.12Å; V155-L160 PolarHBondContact O-N 3.02Å; I157-L160 PolarHBondContact O-N 2.92Å; L160-A162 VanDerWaalsContact C-N 3.34Å; L160-A162 PolarHBondContact O-N 2.83Å; L160-L163 PolarHBondContact O-N 2.94Å; L160-H164 WeakPolarHBondContact O-CB 3.3Å; L160-H164 PolarHBondContact O-N 3.07Å
161	N	96.1	Very high	95.3	Very high	42 Å²	42	46.8 Å²	46.8	23%	0.225	24%	0.24	C	C	.	.	H	α-helix	trans	-59.2	-44.5	176.9	-72.4	-18.5	0	0	0	111.7	I157 E158 L163 H164 Y165 Y187	I157-N161 WeakPolarHBondContact O-CB 3.3Å; I157-N161 PolarHBondContact O-N 3.04Å; I157-N161 PolarHBondContact O-ND2 3.37Å; I157-N161 VanDerWaalsContact O-ND2 3.11Å; E158-N161 PolarHBondContact O-N 3.4Å; N161-L163 PolarHBondContact O-N 3.06Å; N161-H164 PolarHBondContact O-N 3.12Å; N161-Y165 PolarHBondContact O-N 3.06Å; N161-Y187 HydrophobicContact CB-CD2 3.62Å; N161-Y187 HydrophobicContact CB-CE2 3.47Å; N161-Y187 VanDerWaalsContact CB-CE2 3.47Å; N161-Y187 VanDerWaalsContact CG-CE2 3.4Å
162	A	96.3	Very high	95.4	Very high	20 Å²	20	45.9 Å²	45.9	17%	0.165	24%	0.235	C	C	.	.	H	α-helix	trans	-60	-45.9	176.1	0	0	0	0	0	111.1	L151 E158 L159 L160 Y165 H166	L151-A162 HydrophobicContact CD2-CB 3.85Å; E158-A162 VanDerWaalsContact O-CB 3.28Å; E158-A162 WeakPolarHBondContact O-CB 3.43Å; E158-A162 PolarHBondContact O-N 2.99Å; L159-A162 PolarHBondContact O-N 2.8Å; L160-A162 VanDerWaalsContact C-N 3.34Å; L160-A162 PolarHBondContact O-N 2.83Å; A162-Y165 WeakPolarHBondContact O-CB 3.43Å; A162-Y165 PolarHBondContact O-N 3.31Å; A162-H166 PolarHBondContact O-N 2.88Å; A162-H166 PolarHBondContact O-ND1 2.93Å
163	L	97.9	Very high	95.4	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-67.5	-39.7	178.1	-65.4	172.3	0	0	0	112.3	T111 A118 L120 F132 W140 L159 L160 N161 Y165 H166 M167	T111-L163 HydrophobicContact CG2-CD2 4.35Å; A118-L163 HydrophobicContact CB-CD1 3.93Å; L120-L163 HydrophobicContact CD2-CB 3.66Å; L120-L163 HydrophobicContact CD2-CD1 3.96Å; L120-L163 HydrophobicContact CD2-CG 4.42Å; F132-L163 HydrophobicContact CZ-CB 4.38Å; F132-L163 HydrophobicContact CZ-CD2 4.1Å; W140-L163 HydrophobicContact CH2-CD2 4.49Å; W140-L163 HydrophobicContact CZ2-CD2 4.01Å; L159-L163 HydrophobicContact CD1-CG 4.47Å; L159-L163 HydrophobicContact CG-CD1 4.19Å; L159-L163 VanDerWaalsContact O-CG 3.25Å; L159-L163 WeakPolarHBondContact O-CG 3.31Å; L159-L163 PolarHBondContact O-N 3.48Å; L160-L163 PolarHBondContact O-N 2.94Å; N161-L163 PolarHBondContact O-N 3.06Å; L163-Y165 VanDerWaalsContact C-N 3.26Å; L163-Y165 PolarHBondContact O-N 3.05Å; L163-H166 WeakPolarHBondContact O-CA 3.43Å; L163-H166 WeakPolarHBondContact O-CB 3.45Å; L163-H166 PolarHBondContact O-N 3.23Å; L163-M167 WeakPolarHBondContact O-CG 3.42Å; L163-M167 PolarHBondContact O-N 3.15Å
164	H	97.8	Very high	95.2	Very high	29 Å²	29	41.1 Å²	41.1	13%	0.134	20%	0.203	C	C	.	.	H	α-helix	trans	-62.2	-32.4	173.5	-81.9	156.7	0	0	0	112.6	L120 E123 L160 N161 H166 M167 M186	L120-H164 WeakPolarHBondContact CD1-NE2 3.39Å; E123-H164 IonicContact OE2-CD2 2.85Å; E123-H164 IonicContact OE2-CE1 3.71Å; E123-H164 IonicContact OE2-NE2 3.29Å; E123-H164 PolarHBondContact OE2-NE2 2.9Å; L160-H164 WeakPolarHBondContact O-CB 3.3Å; L160-H164 PolarHBondContact O-N 3.07Å; N161-H164 PolarHBondContact O-N 3.12Å; H164-H166 PolarHBondContact O-N 3.44Å; H164-M167 PolarHBondContact O-N 2.8Å; H164-M167 VanDerWaalsContact O-O 3.13Å; H164-M186 HydrophobicContact CB-CB 4.12Å; H164-M186 PolarHBondContact O-N 3.4Å
165	Y	97.9	Very high	94.9	Very high	5 Å²	5	44.1 Å²	44.1	2%	0.02	22%	0.215	C	C	.	.	H	α-helix	trans	-64.8	-29	172.4	-174.4	-110.2	0	0	0	112.7	N161 A162 L163 M167 S185 Y187 H191 V192 N205 I228 T229 A230	N161-Y165 PolarHBondContact O-N 3.06Å; A162-Y165 WeakPolarHBondContact O-CB 3.43Å; A162-Y165 PolarHBondContact O-N 3.31Å; L163-Y165 VanDerWaalsContact C-N 3.26Å; L163-Y165 PolarHBondContact O-N 3.05Å; Y165-M167 PolarHBondContact O-N 2.89Å; Y165-S185 WeakPolarHBondContact CD2-OG 3.33Å; Y165-S185 WeakPolarHBondContact O-CB 3.5Å; Y165-Y187 HydrophobicContact CD2-CD1 4.22Å; Y165-H191 PolarHBondContact OH-O 3.45Å; Y165-V192 HydrophobicContact CE1-CG1 4.28Å; Y165-V192 HydrophobicContact CE2-CG1 4.16Å; Y165-V192 WeakPolarHBondContact O-CG1 3.43Å; Y165-N205 PolarHBondContact OH-ND2 3.4Å; Y165-I228 HydrophobicContact CD1-CD1 4.02Å; Y165-I228 HydrophobicContact CD1-CG1 4.01Å; Y165-I228 HydrophobicContact CE1-CB 4.31Å; Y165-I228 HydrophobicContact CE1-CD1 3.78Å; Y165-I228 HydrophobicContact CE1-CG1 3.98Å; Y165-T229 WeakPolarHBondContact CE1-O 3.44Å; Y165-T229 PolarHBondContact OH-O 3.3Å; Y165-A230 HydrophobicContact CD2-CB 4.17Å; Y165-A230 HydrophobicContact CE1-CB 4.46Å; Y165-A230 HydrophobicContact CE2-CB 3.98Å; Y165-A230 VanDerWaalsContact CZ-CA 3.42Å
166	H	98.4	Very high	94.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-0.4	173.4	-65.9	67.6	0	0	0	113	F132 F133 P135 A162 L163 H164 I228	F132-H166 HydrophobicContact CD2-CB 4.26Å; F132-H166 HydrophobicContact CE2-CB 3.92Å; F133-H166 WeakPolarHBondContact CD2-O 3.17Å; F133-H166 PolarHBondContact N-O 3Å; F133-H166 PolarHBondContact O-CD2 2.96Å; F133-H166 VanDerWaalsContact O-CD2 3.23Å; P135-H166 VanDerWaalsContact CG-CD2 3.42Å; P135-H166 WeakPolarHBondContact CG-CD2 3.48Å; P135-H166 WeakPolarHBondContact CG-NE2 3.09Å; A162-H166 PolarHBondContact O-N 2.88Å; A162-H166 PolarHBondContact O-ND1 2.93Å; L163-H166 WeakPolarHBondContact O-CA 3.43Å; L163-H166 WeakPolarHBondContact O-CB 3.45Å; L163-H166 PolarHBondContact O-N 3.23Å; H164-H166 PolarHBondContact O-N 3.44Å; H166-I228 WeakPolarHBondContact CD2-CG1 3.24Å; H166-I228 PolarHBondContact CE1-N 2.82Å; H166-I228 PolarHBondContact CE1-O 3.1Å; H166-I228 VanDerWaalsContact NE2-CG1 3.26Å; H166-I228 WeakPolarHBondContact NE2-CG1 3.38Å; H166-I228 PolarHBondContact NE2-N 3.37Å
167	M	98.2	Very high	95	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	147.2	-176.3	-68	176	65.7	0	0	112.6	L120 V124 F130 T131 F132 L163 H164 Y165 S185 M186	L120-M167 HydrophobicContact CD1-CE 4.42Å; L120-M167 HydrophobicContact CD1-SD 3.94Å; L120-M167 HydrophobicContact CD2-SD 3.7Å; L120-M167 HydrophobicContact CG-SD 4.28Å; V124-M167 HydrophobicContact CG1-CE 3.41Å; V124-M167 VanDerWaalsContact CG1-CE 3.41Å; V124-M167 HydrophobicContact CG1-SD 4.05Å; F130-M167 HydrophobicContact CB-CE 4.31Å; F130-M167 HydrophobicContact CD1-CE 4.22Å; F130-M167 HydrophobicContact CG-CE 4.28Å; T131-M167 CarbonylContact O-C 3.47Å; T131-M167 VanDerWaalsContact O-CA 3.23Å; T131-M167 WeakPolarHBondContact O-CA 3.31Å; F132-M167 HydrophobicContact CB-CG 4.38Å; F132-M167 HydrophobicContact CD1-CE 4.44Å; F132-M167 HydrophobicContact CD1-CG 3.81Å; F132-M167 HydrophobicContact CD1-SD 3.87Å; F132-M167 HydrophobicContact CD2-CG 4.02Å; F132-M167 HydrophobicContact CE1-CG 4.01Å; F132-M167 HydrophobicContact CE1-SD 3.74Å; F132-M167 HydrophobicContact CE2-CG 4.2Å; F132-M167 HydrophobicContact CG-CG 3.82Å; F132-M167 HydrophobicContact CG-SD 4.49Å; F132-M167 HydrophobicContact CZ-CG 4.19Å; F132-M167 HydrophobicContact CZ-SD 4.24Å; L163-M167 WeakPolarHBondContact O-CG 3.42Å; L163-M167 PolarHBondContact O-N 3.15Å; H164-M167 PolarHBondContact O-N 2.8Å; H164-M167 VanDerWaalsContact O-O 3.13Å; Y165-M167 PolarHBondContact O-N 2.89Å; M167-S185 CarbonylContact O-C 3.59Å; M167-S185 WeakPolarHBondContact O-CA 3.43Å; M167-S185 WeakPolarHBondContact O-CB 2.98Å; M167-M186 HydrophobicContact CB-CB 4.29Å; M167-M186 HydrophobicContact CB-CG 4.14Å; M167-M186 HydrophobicContact CB-SD 3.65Å; M167-M186 HydrophobicContact CE-CE 4.2Å; M167-M186 HydrophobicContact CE-SD 3.8Å; M167-M186 PolarHBondContact O-N 2.81Å
168	V	98	Very high	94.9	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	137.4	171.2	179.2	0	0	0	0	108.3	F130 T131 F133 R170 L172 F183 V192	F130-V168 CarbonylContact C-O 3.34Å; F130-V168 VanDerWaalsContact CA-O 3.32Å; F130-V168 WeakPolarHBondContact CA-O 3.41Å; T131-V168 PolarHBondContact N-O 3.17Å; T131-V168 PolarHBondContact O-N 3.43Å; F133-V168 HydrophobicContact CE2-CG2 3.97Å; V168-R170 HydrophobicContact CG1-CG 3.93Å; V168-R170 PolarHBondContact O-N 2.85Å; V168-L172 HydrophobicContact CB-CD1 4.21Å; V168-L172 HydrophobicContact CG1-CD1 3.96Å; V168-L172 HydrophobicContact CG2-CD1 4.26Å; V168-F183 HydrophobicContact CG1-CB 4.3Å; V168-F183 HydrophobicContact CG2-CB 4.12Å; V168-V192 HydrophobicContact CG2-CG2 3.99Å
169	N	96.1	Very high	94.8	Very high	114 Å²	114	45.8 Å²	45.8	61%	0.61	21%	0.213	S	C	*	.	S	Bend	trans	-77.2	32.5	-177.5	70.5	-9.7	0	0	0	114.7	S129 M186	S129-N169 CarbonylContact O-C 3.49Å; N169-M186 HydrophobicContact CB-CG 4.1Å; N169-M186 HydrophobicContact CB-SD 4.22Å
170	R	96.1	Very high	94.4	Very high	120 Å²	120	47.3 Å²	47.3	45%	0.453	23%	0.23	S	C	.	.	S	Bend	trans	-153.6	156.6	169.3	68.9	-172.6	-177.9	165.4	5.7	109.9	S129 F130 T131 V168 L172	S129-R170 CarbonylContact O-C 3.55Å; S129-R170 WeakPolarHBondContact O-CA 3.24Å; S129-R170 PolarHBondContact O-N 2.94Å; F130-R170 CarbonylContact C-O 3.39Å; T131-R170 WeakPolarHBondContact CB-O 3.22Å; T131-R170 PolarHBondContact N-O 2.94Å; T131-R170 PolarHBondContact OG1-O 2.95Å; V168-R170 HydrophobicContact CG1-CG 3.93Å; V168-R170 PolarHBondContact O-N 2.85Å; R170-L172 HydrophobicContact CG-CD2 4.13Å; R170-L172 HydrophobicContact CG-CG 4.07Å; R170-L172 PolarHBondContact O-N 3.06Å
171	R	96.1	Very high	94.2	Very high	109 Å²	109	46.7 Å²	46.7	41%	0.411	23%	0.228	S	C	.	.			trans	-70.4	125	170.6	-179.3	169.8	170.9	174.6	-6	110.8	S129 H215 I220	S129-R171 WeakPolarHBondContact OG-CB 3.45Å; S129-R171 PolarHBondContact OG-N 3.09Å; R171-H215 PolarHBondContact NH2-CE1 3.03Å; R171-H215 PolarHBondContact NH2-ND1 2.95Å; R171-I220 HydrophobicContact CG-CB 4.18Å; R171-I220 HydrophobicContact CG-CG2 4.01Å
172	L	95.9	Very high	94.1	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.01	24%	0.236	C	C	.	.			trans	-125.9	113.2	177.5	-67	173.8	0	0	0	109.3	T131 V168 R170 E176 L177 F183 I220 H222	T131-L172 HydrophobicContact CG2-CB 4.15Å; T131-L172 WeakPolarHBondContact OG1-CB 3.32Å; T131-L172 PolarHBondContact OG1-N 2.79Å; V168-L172 HydrophobicContact CB-CD1 4.21Å; V168-L172 HydrophobicContact CG1-CD1 3.96Å; V168-L172 HydrophobicContact CG2-CD1 4.26Å; R170-L172 HydrophobicContact CG-CD2 4.13Å; R170-L172 HydrophobicContact CG-CG 4.07Å; R170-L172 PolarHBondContact O-N 3.06Å; L172-E176 VanDerWaalsContact CA-OE2 3.29Å; L172-E176 WeakPolarHBondContact CA-OE2 3.24Å; L172-E176 HydrophobicContact CD2-CB 4.24Å; L172-L177 HydrophobicContact CB-CD2 4.19Å; L172-L177 HydrophobicContact CD1-CD2 4.47Å; L172-F183 HydrophobicContact CD1-CB 4.24Å; L172-F183 HydrophobicContact CD1-CD1 4.24Å; L172-F183 HydrophobicContact CD1-CD2 3.47Å; L172-F183 VanDerWaalsContact CD1-CD2 3.47Å; L172-F183 HydrophobicContact CD1-CE2 3.75Å; L172-F183 HydrophobicContact CD1-CG 3.7Å; L172-F183 HydrophobicContact CD1-CZ 4.26Å; L172-F183 HydrophobicContact CD2-CE1 4.22Å; L172-F183 HydrophobicContact CD2-CE2 4.36Å; L172-F183 HydrophobicContact CD2-CZ 4.1Å; L172-I220 WeakPolarHBondContact O-CG2 3.5Å; L172-H222 PolarHBondContact O-CE1 3.32Å; L172-H222 PolarHBondContact O-NE2 3.17Å
173	T	92.2	Very high	94.1	Very high	29 Å²	29	47.3 Å²	47.3	18%	0.178	23%	0.232	C	C	.	.			trans	-83.6	162.1	172.7	60.1	0	0	0	0	111.1	E175 E176 L177 D213 I220	T173-E175 PolarHBondContact O-N 3.14Å; T173-E176 PolarHBondContact N-OE2 3.4Å; T173-E176 WeakPolarHBondContact O-CB 3.45Å; T173-E176 PolarHBondContact O-N 3.47Å; T173-E176 PolarHBondContact OG1-OE2 3.41Å; T173-E176 VanDerWaalsContact OG1-OE2 3.06Å; T173-L177 WeakPolarHBondContact O-CG 3.46Å; T173-L177 PolarHBondContact O-N 3.18Å; T173-L177 VanDerWaalsContact O-N 3.17Å; T173-D213 WeakPolarHBondContact CA-OD1 3.34Å; T173-I220 HydrophobicContact CG2-CD1 4.07Å
174	S	88.1	Confident	94	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.014	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-19.2	174.6	67.4	0	0	0	0	113.9	Y23 D213	Y23-S174 WeakPolarHBondContact CD1-OG 3.48Å; S174-D213 WeakPolarHBondContact CB-OD2 3.31Å; S174-D213 PolarHBondContact N-OD1 2.84Å; S174-D213 PolarHBondContact OG-OD2 2.78Å
175	E	86.7	Confident	94	Very high	118 Å²	118	47.8 Å²	47.8	55%	0.551	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-32.1	173.7	-59.9	-177.1	-163	0	0	112.8	Q24 T173	Q24-E175 HydrophobicContact CG-CG 4.41Å; Q24-E175 VanDerWaalsContact NE2-CG 3.34Å; Q24-E175 PolarHBondContact NE2-OE1 3.27Å; T173-E175 PolarHBondContact O-N 3.14Å
176	E	90.8	Very high	93.9	Very high	89 Å²	89	49.7 Å²	49.7	42%	0.416	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-20.7	177.5	-66.5	165	133.2	0	0	111.8	L172 T173 K178	L172-E176 VanDerWaalsContact CA-OE2 3.29Å; L172-E176 WeakPolarHBondContact CA-OE2 3.24Å; L172-E176 HydrophobicContact CD2-CB 4.24Å; T173-E176 PolarHBondContact N-OE2 3.4Å; T173-E176 WeakPolarHBondContact O-CB 3.45Å; T173-E176 PolarHBondContact O-N 3.47Å; T173-E176 PolarHBondContact OG1-OE2 3.41Å; T173-E176 VanDerWaalsContact OG1-OE2 3.06Å; E176-K178 PolarHBondContact O-N 3.35Å
177	L	92.6	Very high	93.7	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.258	C	S	.	.			trans	-71.8	66.4	171.8	-59.6	-169.9	0	0	0	111.3	F133 L172 T173 F183 I194 V202 L209	F133-L177 HydrophobicContact CE1-CD1 4.16Å; F133-L177 HydrophobicContact CE1-CD2 4.37Å; F133-L177 HydrophobicContact CZ-CD2 4.15Å; L172-L177 HydrophobicContact CB-CD2 4.19Å; L172-L177 HydrophobicContact CD1-CD2 4.47Å; T173-L177 WeakPolarHBondContact O-CG 3.46Å; T173-L177 PolarHBondContact O-N 3.18Å; T173-L177 VanDerWaalsContact O-N 3.17Å; L177-F183 HydrophobicContact CD2-CD2 4.43Å; L177-F183 HydrophobicContact CD2-CE2 3.7Å; L177-I194 HydrophobicContact CB-CG2 3.75Å; L177-I194 HydrophobicContact CD2-CD1 4.08Å; L177-I194 HydrophobicContact CD2-CG1 4.21Å; L177-I194 HydrophobicContact CD2-CG2 4.45Å; L177-V202 HydrophobicContact CB-CG1 4.31Å; L177-V202 HydrophobicContact CD1-CG1 4.21Å; L177-L209 HydrophobicContact CD1-CD1 4.25Å
178	K	91.1	Very high	93.3	Very high	146 Å²	146	59.3 Å²	59.3	64%	0.635	29%	0.292	S	S	*	.			trans	-74.1	153.6	179.4	-65.5	-178.6	-178.8	177.1	0	111.2	E176 G180 S181	E176-K178 PolarHBondContact O-N 3.35Å; K178-G180 PolarHBondContact O-N 3.47Å; K178-S181 PolarHBondContact O-N 2.91Å; K178-S181 PolarHBondContact O-OG 3.47Å; K178-S181 VanDerWaalsContact O-OG 3.06Å
179	H	90.9	Very high	92.7	Very high	96 Å²	96	65.1 Å²	65.1	44%	0.444	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	126.7	175.1	-177.1	85.5	0	0	0	110.7	S181 H196 Q266	H179-S181 VanDerWaalsContact C-N 3.3Å; H179-S181 PolarHBondContact O-N 3.39Å; H179-H196 HydrophobicContact CB-CB 3.98Å; H179-H196 PolarHBondContact ND1-N 3.33Å; H179-H196 PolarHBondContact ND1-O 3.47Å; H179-Q266 PolarHBondContact NE2-OE1 3.45Å
180	G	89.1	Confident	92.5	Very high	34 Å²	34	61.2 Å²	61.2	35%	0.351	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.4	8.6	177.6	0	0	0	0	0	115.3	K178 I194	K178-G180 PolarHBondContact O-N 3.47Å; G180-I194 WeakPolarHBondContact CA-O 3.31Å; G180-I194 PolarHBondContact N-O 3.12Å
181	S	92.6	Very high	92.4	Very high	25 Å²	25	59.6 Å²	59.6	18%	0.175	30%	0.302	C	S	.	.			trans	-73.6	150.7	170.9	66.6	0	0	0	0	111	K178 H179 F183 I194	K178-S181 PolarHBondContact O-N 2.91Å; K178-S181 PolarHBondContact O-OG 3.47Å; K178-S181 VanDerWaalsContact O-OG 3.06Å; H179-S181 VanDerWaalsContact C-N 3.3Å; H179-S181 PolarHBondContact O-N 3.39Å; S181-F183 WeakPolarHBondContact OG-CE2 3.34Å; S181-F183 VanDerWaalsContact OG-CZ 3.31Å; S181-F183 WeakPolarHBondContact OG-CZ 3.33Å; S181-I194 WeakPolarHBondContact O-CB 3.33Å; S181-I194 PolarHBondContact O-N 2.9Å
182	S	93.5	Very high	92.4	Very high	55 Å²	55	54.4 Å²	54.4	39%	0.385	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	151	168.7	65.2	0	0	0	0	110	V192	S182-V192 CarbonylContact C-O 3.37Å; S182-V192 WeakPolarHBondContact CA-O 3.33Å
183	F	95.2	Very high	92.3	Very high	19 Å²	19	56.5 Å²	56.5	8%	0.083	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	136.8	-177.7	-56.4	-58	0	0	0	109.9	V168 L172 L177 S181 S185 H191 V192 I194	V168-F183 HydrophobicContact CG1-CB 4.3Å; V168-F183 HydrophobicContact CG2-CB 4.12Å; L172-F183 HydrophobicContact CD1-CB 4.24Å; L172-F183 HydrophobicContact CD1-CD1 4.24Å; L172-F183 HydrophobicContact CD1-CD2 3.47Å; L172-F183 VanDerWaalsContact CD1-CD2 3.47Å; L172-F183 HydrophobicContact CD1-CE2 3.75Å; L172-F183 HydrophobicContact CD1-CG 3.7Å; L172-F183 HydrophobicContact CD1-CZ 4.26Å; L172-F183 HydrophobicContact CD2-CE1 4.22Å; L172-F183 HydrophobicContact CD2-CE2 4.36Å; L172-F183 HydrophobicContact CD2-CZ 4.1Å; L177-F183 HydrophobicContact CD2-CD2 4.43Å; L177-F183 HydrophobicContact CD2-CE2 3.7Å; S181-F183 WeakPolarHBondContact OG-CE2 3.34Å; S181-F183 VanDerWaalsContact OG-CZ 3.31Å; S181-F183 WeakPolarHBondContact OG-CZ 3.33Å; F183-S185 PolarHBondContact O-N 3.35Å; F183-H191 CarbonylContact O-C 3.53Å; F183-H191 VanDerWaalsContact O-CA 3.27Å; F183-H191 WeakPolarHBondContact O-CA 3.46Å; F183-V192 HydrophobicContact CB-CG2 3.97Å; F183-V192 PolarHBondContact N-O 3.32Å; F183-V192 WeakPolarHBondContact O-CG2 3.45Å; F183-V192 PolarHBondContact O-N 2.76Å; F183-I194 HydrophobicContact CD2-CD1 4.32Å; F183-I194 HydrophobicContact CD2-CG1 3.8Å; F183-I194 HydrophobicContact CE2-CD1 4.41Å; F183-I194 HydrophobicContact CE2-CG1 3.64Å
184	S	96.5	Very high	92.4	Very high	34 Å²	34	55.1 Å²	55.1	24%	0.238	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	123.3	174.3	-172.6	0	0	0	0	108.7	D189	S184-D189 VanDerWaalsContact OG-CA 3.23Å; S184-D189 WeakPolarHBondContact OG-CA 3.35Å; S184-D189 PolarHBondContact OG-OD1 3.1Å
185	S	97	Very high	92.7	Very high	5 Å²	5	55.3 Å²	55.3	4%	0.035	28%	0.284	C	S	.	.			trans	-76.7	171.9	172.7	74	0	0	0	0	110.6	Y165 M167 F183 Y187 S190	Y165-S185 WeakPolarHBondContact CD2-OG 3.33Å; Y165-S185 WeakPolarHBondContact O-CB 3.5Å; M167-S185 CarbonylContact O-C 3.59Å; M167-S185 WeakPolarHBondContact O-CA 3.43Å; M167-S185 WeakPolarHBondContact O-CB 2.98Å; F183-S185 PolarHBondContact O-N 3.35Å; S185-Y187 PolarHBondContact O-N 2.53Å; S185-Y187 PolarHBondContact OG-N 2.73Å; S185-Y187 PolarHBondContact OG-O 2.92Å; S185-S190 WeakPolarHBondContact CB-O 3.21Å; S185-S190 PolarHBondContact N-O 2.7Å; S185-S190 PolarHBondContact OG-O 2.79Å
186	M	96.1	Very high	92.9	Very high	45 Å²	45	50.6 Å²	50.6	22%	0.222	26%	0.262	C	S	.	.	S	Bend	trans	-78.9	1.9	174.4	-65.5	176.3	60.3	0	0	112.9	E123 F130 H164 M167 N169	E123-M186 WeakPolarHBondContact OE1-CE 3.39Å; F130-M186 HydrophobicContact CD1-CE 4.01Å; F130-M186 HydrophobicContact CD1-SD 3.73Å; F130-M186 HydrophobicContact CE1-CE 3.86Å; F130-M186 HydrophobicContact CE1-SD 4.21Å; H164-M186 HydrophobicContact CB-CB 4.12Å; H164-M186 PolarHBondContact O-N 3.4Å; M167-M186 HydrophobicContact CB-CB 4.29Å; M167-M186 HydrophobicContact CB-CG 4.14Å; M167-M186 HydrophobicContact CB-SD 3.65Å; M167-M186 HydrophobicContact CE-CE 4.2Å; M167-M186 HydrophobicContact CE-SD 3.8Å; M167-M186 PolarHBondContact O-N 2.81Å; N169-M186 HydrophobicContact CB-CG 4.1Å; N169-M186 HydrophobicContact CB-SD 4.22Å
187	Y	94.9	Very high	92.9	Very high	52 Å²	52	47.2 Å²	47.2	20%	0.204	25%	0.245	C	C	.	.	S	Bend	trans	-107.1	109.2	175.9	174.5	-110.4	0	0	0	111.4	N161 Y165 S185 D189 S190	N161-Y187 HydrophobicContact CB-CD2 3.62Å; N161-Y187 HydrophobicContact CB-CE2 3.47Å; N161-Y187 VanDerWaalsContact CB-CE2 3.47Å; N161-Y187 VanDerWaalsContact CG-CE2 3.4Å; Y165-Y187 HydrophobicContact CD2-CD1 4.22Å; S185-Y187 PolarHBondContact O-N 2.53Å; S185-Y187 PolarHBondContact OG-N 2.73Å; S185-Y187 PolarHBondContact OG-O 2.92Å; Y187-D189 PolarHBondContact O-N 2.77Å; Y187-S190 WeakPolarHBondContact O-CB 3.46Å; Y187-S190 PolarHBondContact O-N 3.43Å; Y187-S190 PolarHBondContact O-OG 2.81Å
188	Q	90.4	Very high	92.7	Very high	151 Å²	151	52.8 Å²	52.8	71%	0.706	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.3	33.5	172.6	-62.3	-173.1	-10.2	0	0	115.1	S190	Q188-S190 PolarHBondContact O-N 3.32Å
189	D	84.1	Confident	92.5	Very high	123 Å²	123	46.7 Å²	46.7	66%	0.658	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	20	-173.1	-67.2	-57	0	0	0	115.3	S184 Y187 H191	S184-D189 VanDerWaalsContact OG-CA 3.23Å; S184-D189 WeakPolarHBondContact OG-CA 3.35Å; S184-D189 PolarHBondContact OG-OD1 3.1Å; Y187-D189 PolarHBondContact O-N 2.77Å; D189-H191 PolarHBondContact O-N 2.92Å
190	S	93.1	Very high	92.4	Very high	32 Å²	32	42.4 Å²	42.4	22%	0.224	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-66.1	135.6	175.8	-68.2	0	0	0	0	109.4	S185 Y187 Q188	S185-S190 WeakPolarHBondContact CB-O 3.21Å; S185-S190 PolarHBondContact N-O 2.7Å; S185-S190 PolarHBondContact OG-O 2.79Å; Y187-S190 WeakPolarHBondContact O-CB 3.46Å; Y187-S190 PolarHBondContact O-N 3.43Å; Y187-S190 PolarHBondContact O-OG 2.81Å; Q188-S190 PolarHBondContact O-N 3.32Å
191	H	93.9	Very high	92.5	Very high	86 Å²	86	41.5 Å²	41.5	40%	0.398	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	141.2	-175	-76.6	-91.5	0	0	0	112.6	Y165 F183 D189	Y165-H191 PolarHBondContact OH-O 3.45Å; F183-H191 CarbonylContact O-C 3.53Å; F183-H191 VanDerWaalsContact O-CA 3.27Å; F183-H191 WeakPolarHBondContact O-CA 3.46Å; D189-H191 PolarHBondContact O-N 2.92Å
192	V	95.1	Very high	92.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	135.8	160.5	-65.2	0	0	0	0	109.4	F133 Y165 V168 S182 F183 V204 I228	F133-V192 HydrophobicContact CE2-CG2 4Å; Y165-V192 HydrophobicContact CE1-CG1 4.28Å; Y165-V192 HydrophobicContact CE2-CG1 4.16Å; Y165-V192 WeakPolarHBondContact O-CG1 3.43Å; V168-V192 HydrophobicContact CG2-CG2 3.99Å; S182-V192 CarbonylContact C-O 3.37Å; S182-V192 WeakPolarHBondContact CA-O 3.33Å; F183-V192 HydrophobicContact CB-CG2 3.97Å; F183-V192 PolarHBondContact N-O 3.32Å; F183-V192 WeakPolarHBondContact O-CG2 3.45Å; F183-V192 PolarHBondContact O-N 2.76Å; V192-V204 HydrophobicContact CB-CG1 4.11Å; V192-I228 HydrophobicContact CG1-CD1 3.84Å
193	H	93.8	Very high	92.7	Very high	46 Å²	46	37.8 Å²	37.8	21%	0.213	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	129.9	-173	-64.1	-94.1	0	0	0	111.2	V204 N205	H193-V204 CarbonylContact O-C 3.57Å; H193-V204 WeakPolarHBondContact O-CA 3.29Å; H193-N205 PolarHBondContact N-OD1 3.45Å; H193-N205 PolarHBondContact O-N 3.31Å
194	I	95.1	Very high	92.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	130.3	-172.6	-51.5	-59.4	0	0	0	110.5	F133 L177 G180 S181 F183 V202 T203 V204	F133-I194 HydrophobicContact CZ-CD1 4.27Å; L177-I194 HydrophobicContact CB-CG2 3.75Å; L177-I194 HydrophobicContact CD2-CD1 4.08Å; L177-I194 HydrophobicContact CD2-CG1 4.21Å; L177-I194 HydrophobicContact CD2-CG2 4.45Å; G180-I194 WeakPolarHBondContact CA-O 3.31Å; G180-I194 PolarHBondContact N-O 3.12Å; S181-I194 WeakPolarHBondContact O-CB 3.33Å; S181-I194 PolarHBondContact O-N 2.9Å; F183-I194 HydrophobicContact CD2-CD1 4.32Å; F183-I194 HydrophobicContact CD2-CG1 3.8Å; F183-I194 HydrophobicContact CE2-CD1 4.41Å; F183-I194 HydrophobicContact CE2-CG1 3.64Å; I194-V202 HydrophobicContact CG2-CG1 4.37Å; I194-T203 WeakPolarHBondContact CA-O 3.34Å; I194-V204 HydrophobicContact CD1-CB 4.2Å; I194-V204 HydrophobicContact CD1-CG1 3.92Å; I194-V204 HydrophobicContact CD1-CG2 3.75Å
195	H	93.3	Very high	92.7	Very high	6 Å²	6	35.7 Å²	35.7	3%	0.028	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	129.4	173.1	-55.2	89	0	0	0	110.6	Y197 V202 T203 L307	H195-Y197 HydrophobicContact CB-CE2 3.89Å; H195-V202 CarbonylContact O-C 3.6Å; H195-V202 WeakPolarHBondContact O-CA 3.5Å; H195-T203 PolarHBondContact N-O 2.92Å; H195-T203 PolarHBondContact O-N 3.29Å; H195-T203 PolarHBondContact O-OG1 3.27Å; H195-L307 WeakPolarHBondContact NE2-CD1 3.37Å
196	H	91.8	Very high	92.7	Very high	18 Å²	18	35.4 Å²	35.4	8%	0.083	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	127.6	177.7	-163.6	161.5	0	0	0	109.1	P22 Y23 H179	P22-H196 WeakPolarHBondContact CB-NE2 3.37Å; P22-H196 VanDerWaalsContact CD-CE1 3.5Å; P22-H196 WeakPolarHBondContact CD-CE1 3.44Å; Y23-H196 WeakPolarHBondContact CB-NE2 3.09Å; Y23-H196 PolarHBondContact N-CE1 2.97Å; Y23-H196 PolarHBondContact N-NE2 3.47Å; H179-H196 HydrophobicContact CB-CB 3.98Å; H179-H196 PolarHBondContact ND1-N 3.33Å; H179-H196 PolarHBondContact ND1-O 3.47Å
197	Y	90.9	Very high	92.7	Very high	18 Å²	18	33.3 Å²	33.3	7%	0.071	18%	0.176	C	C	.	.			trans	-104.7	155	-176.3	-61.2	-81.6	0	0	0	111.6	P22 H195 N199 G200 I201 T203 L307 C309 S312	P22-Y197 WeakPolarHBondContact CB-O 3.1Å; H195-Y197 HydrophobicContact CB-CE2 3.89Å; Y197-N199 VanDerWaalsContact CB-OD1 3.23Å; Y197-N199 WeakPolarHBondContact CB-OD1 3.4Å; Y197-N199 PolarHBondContact O-N 2.83Å; Y197-N199 VanDerWaalsContact O-N 3.12Å; Y197-G200 PolarHBondContact O-N 2.93Å; Y197-I201 HydrophobicContact CD2-CB 4.35Å; Y197-I201 HydrophobicContact CD2-CG2 4.3Å; Y197-I201 WeakPolarHBondContact CD2-O 3.19Å; Y197-I201 PolarHBondContact N-O 3.16Å; Y197-T203 HydrophobicContact CE2-CG2 3.89Å; Y197-L307 WeakPolarHBondContact CE1-O 3.42Å; Y197-L307 PolarHBondContact OH-O 2.86Å; Y197-L307 VanDerWaalsContact OH-O 3.09Å; Y197-C309 PolarHBondContact OH-N 3.16Å; Y197-C309 VanDerWaalsContact OH-N 3.11Å; Y197-C309 PolarHBondContact OH-SG 2.87Å; Y197-S312 VanDerWaalsContact CZ-CB 3.44Å
198	S	88.5	Confident	92.7	Very high	118 Å²	118	31.5 Å²	31.5	83%	0.825	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-20.2	-178.1	59.3	0	0	0	0	113.8	G200	S198-G200 VanDerWaalsContact C-N 3.26Å; S198-G200 PolarHBondContact O-N 2.77Å
199	N	87.3	Confident	92.9	Very high	17 Å²	17	25.1 Å²	25.1	9%	0.091	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	1.3	173.9	62.1	9.1	0	0	0	114	Y197 I201 S312	Y197-N199 VanDerWaalsContact CB-OD1 3.23Å; Y197-N199 WeakPolarHBondContact CB-OD1 3.4Å; Y197-N199 PolarHBondContact O-N 2.83Å; Y197-N199 VanDerWaalsContact O-N 3.12Å; N199-I201 WeakPolarHBondContact OD1-CB 3.34Å; N199-I201 WeakPolarHBondContact OD1-CG1 3.33Å; N199-I201 PolarHBondContact OD1-N 2.75Å; N199-I201 VanDerWaalsContact OD1-N 3.1Å; N199-S312 PolarHBondContact ND2-O 3.07Å
200	G	87.6	Confident	93.2	Very high	7 Å²	7	21.3 Å²	21.3	7%	0.072	12%	0.119	C	C	.	.	S	Bend	trans	86.6	2.2	179.6	0	0	0	0	0	114.6	Y197 S198	Y197-G200 PolarHBondContact O-N 2.93Å; S198-G200 VanDerWaalsContact C-N 3.26Å; S198-G200 PolarHBondContact O-N 2.77Å
201	I	91.6	Very high	93	Very high	14 Å²	14	23.7 Å²	23.7	7%	0.072	13%	0.126	C	C	.	.			trans	-74	134.3	173.2	-63.2	178.7	0	0	0	108.9	Y54 Y197 N199 T203 R208 E311 V314	Y54-I201 HydrophobicContact CD1-CD1 4.41Å; Y197-I201 HydrophobicContact CD2-CB 4.35Å; Y197-I201 HydrophobicContact CD2-CG2 4.3Å; Y197-I201 WeakPolarHBondContact CD2-O 3.19Å; Y197-I201 PolarHBondContact N-O 3.16Å; N199-I201 WeakPolarHBondContact OD1-CB 3.34Å; N199-I201 WeakPolarHBondContact OD1-CG1 3.33Å; N199-I201 PolarHBondContact OD1-N 2.75Å; N199-I201 VanDerWaalsContact OD1-N 3.1Å; I201-T203 HydrophobicContact CG2-CG2 4.13Å; I201-R208 HydrophobicContact CG2-CG 3.96Å; I201-E311 WeakPolarHBondContact CD1-O 3.27Å; I201-V314 HydrophobicContact CD1-CG1 3.66Å
202	V	93.8	Very high	92.8	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.018	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	138	172.8	-177.2	0	0	0	0	107.7	Y23 L177 I194 H195 L209	Y23-V202 HydrophobicContact CG-CG2 4.49Å; L177-V202 HydrophobicContact CB-CG1 4.31Å; L177-V202 HydrophobicContact CD1-CG1 4.21Å; I194-V202 HydrophobicContact CG2-CG1 4.37Å; H195-V202 CarbonylContact O-C 3.6Å; H195-V202 WeakPolarHBondContact O-CA 3.5Å; V202-L209 HydrophobicContact CB-CB 4.17Å; V202-L209 WeakPolarHBondContact O-CB 3.38Å; V202-L209 PolarHBondContact O-N 3.31Å
203	T	95.9	Very high	92.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	148.7	176.6	64.1	0	0	0	0	111.3	I194 H195 Y197 I201 A207 R208 C309	I194-T203 WeakPolarHBondContact CA-O 3.34Å; H195-T203 PolarHBondContact N-O 2.92Å; H195-T203 PolarHBondContact O-N 3.29Å; H195-T203 PolarHBondContact O-OG1 3.27Å; Y197-T203 HydrophobicContact CE2-CG2 3.89Å; I201-T203 HydrophobicContact CG2-CG2 4.13Å; T203-A207 CarbonylContact C-O 3.42Å; T203-A207 WeakPolarHBondContact CA-O 3.23Å; T203-A207 WeakPolarHBondContact CB-O 3.36Å; T203-R208 HydrophobicContact CG2-CB 4.47Å; T203-C309 HydrophobicContact CG2-CB 4.39Å
204	V	96.8	Very high	92.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	113.1	173.4	-173.9	0	0	0	0	106.2	F133 V192 H193 I194 C206 A207 L209 I224 I228	F133-V204 HydrophobicContact CD1-CB 4.47Å; F133-V204 HydrophobicContact CD1-CG1 4.32Å; F133-V204 HydrophobicContact CD1-CG2 3.67Å; F133-V204 HydrophobicContact CD2-CG1 4.23Å; F133-V204 HydrophobicContact CE1-CG1 4.5Å; F133-V204 HydrophobicContact CE1-CG2 3.69Å; F133-V204 HydrophobicContact CE2-CG1 4.42Å; F133-V204 HydrophobicContact CG-CG1 4.17Å; F133-V204 HydrophobicContact CG-CG2 4.34Å; F133-V204 HydrophobicContact CZ-CG2 4.36Å; V192-V204 HydrophobicContact CB-CG1 4.11Å; H193-V204 CarbonylContact O-C 3.57Å; H193-V204 WeakPolarHBondContact O-CA 3.29Å; I194-V204 HydrophobicContact CD1-CB 4.2Å; I194-V204 HydrophobicContact CD1-CG1 3.92Å; I194-V204 HydrophobicContact CD1-CG2 3.75Å; V204-C206 PolarHBondContact O-N 2.96Å; V204-A207 PolarHBondContact N-O 2.91Å; V204-A207 WeakPolarHBondContact O-CA 3.3Å; V204-A207 VanDerWaalsContact O-CB 3.23Å; V204-A207 WeakPolarHBondContact O-CB 3.49Å; V204-A207 PolarHBondContact O-N 2.71Å; V204-L209 HydrophobicContact CG2-CD1 3.88Å; V204-I224 HydrophobicContact CG2-CG2 4.4Å; V204-I228 HydrophobicContact CG1-CD1 4.09Å; V204-I228 WeakPolarHBondContact O-CG2 3.4Å
205	N	96.1	Very high	92.3	Very high	8 Å²	8	22.8 Å²	22.8	4%	0.043	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.4	49.7	-170	-67.5	21.9	0	0	0	111.8	Y165 H193 A207 I228 T229 L350	Y165-N205 PolarHBondContact OH-ND2 3.4Å; H193-N205 PolarHBondContact N-OD1 3.45Å; H193-N205 PolarHBondContact O-N 3.31Å; N205-A207 PolarHBondContact O-N 2.82Å; N205-I228 HydrophobicContact CB-CB 4.12Å; N205-I228 HydrophobicContact CB-CG2 3.86Å; N205-T229 PolarHBondContact ND2-O 3.11Å; N205-T229 VanDerWaalsContact ND2-O 3.17Å; N205-L350 HydrophobicContact CB-CD1 3.67Å; N205-L350 WeakPolarHBondContact O-CD1 3.38Å
206	C	96.3	Very high	92.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	2.6	-175.1	-67.2	0	0	0	0	117.2	V204 R226 C309 D348 L350	V204-C206 PolarHBondContact O-N 2.96Å; C206-R226 PolarHBondContact O-NH2 3.25Å; C206-C309 WeakPolarHBondContact CA-SG 3.2Å; C206-C309 HydrophobicContact CB-CB 3.58Å; C206-C309 WeakPolarHBondContact CB-SG 3.36Å; C206-C309 WeakPolarHBondContact SG-CB 3.22Å; C206-C309 CovalentContact SG-SG 2.04Å; C206-C309 PolarHBondContact SG-SG 3.44Å; C206-D348 HydrophobicContact CB-CB 3.98Å; C206-L350 HydrophobicContact CB-CD1 4.18Å
207	A	96.9	Very high	92.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	122.4	164.6	0	0	0	0	0	109.2	T203 V204 N205 I224 D225 R226 I228	T203-A207 CarbonylContact C-O 3.42Å; T203-A207 WeakPolarHBondContact CA-O 3.23Å; T203-A207 WeakPolarHBondContact CB-O 3.36Å; V204-A207 PolarHBondContact N-O 2.91Å; V204-A207 WeakPolarHBondContact O-CA 3.3Å; V204-A207 VanDerWaalsContact O-CB 3.23Å; V204-A207 WeakPolarHBondContact O-CB 3.49Å; V204-A207 PolarHBondContact O-N 2.71Å; N205-A207 PolarHBondContact O-N 2.82Å; A207-I224 HydrophobicContact CB-CB 4.12Å; A207-I224 HydrophobicContact CB-CD1 4.05Å; A207-D225 WeakPolarHBondContact CA-OD1 3.19Å; A207-R226 HydrophobicContact CB-CB 3.68Å; A207-I228 HydrophobicContact CB-CG2 3.61Å
208	R	95.2	Very high	92.7	Very high	14 Å²	14	25.8 Å²	25.8	5%	0.053	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	138	-178.8	178.1	174.2	55.3	66	22.6	110.6	I201 T203 I210 I224 D225 E311	I201-R208 HydrophobicContact CG2-CG 3.96Å; T203-R208 HydrophobicContact CG2-CB 4.47Å; R208-I210 PolarHBondContact O-N 2.76Å; R208-I224 CarbonylContact O-C 3.53Å; R208-I224 WeakPolarHBondContact O-CA 3.24Å; R208-D225 WeakPolarHBondContact CB-OD2 3.32Å; R208-D225 IonicContact CZ-OD2 2.92Å; R208-D225 PolarHBondContact N-OD1 2.9Å; R208-D225 IonicContact NE-OD2 3.31Å; R208-D225 IonicContact NH2-OD2 3.57Å; R208-D225 PolarHBondContact NH2-OD2 2.9Å; R208-D225 PolarHBondContact O-N 3.31Å; R208-E311 HydrophobicContact CB-CB 3.95Å; R208-E311 HydrophobicContact CB-CG 4.35Å; R208-E311 IonicContact CZ-OE2 3.3Å; R208-E311 IonicContact NE-OE2 3.83Å; R208-E311 PolarHBondContact NE-OE2 2.92Å; R208-E311 IonicContact NH2-OE2 3.51Å
209	L	94.1	Very high	93.1	Very high	17 Å²	17	20.3 Å²	20.3	9%	0.089	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	113.2	171.9	-138.3	95.7	0	0	0	109.7	F133 L177 V202 V204 P212 H222 I224	F133-L209 HydrophobicContact CD1-CD1 4.4Å; L177-L209 HydrophobicContact CD1-CD1 4.25Å; V202-L209 HydrophobicContact CB-CB 4.17Å; V202-L209 WeakPolarHBondContact O-CB 3.38Å; V202-L209 PolarHBondContact O-N 3.31Å; V204-L209 HydrophobicContact CG2-CD1 3.88Å; L209-P212 HydrophobicContact CD2-CB 3.35Å; L209-P212 HydrophobicContact CD2-CG 3.94Å; L209-H222 HydrophobicContact CD1-CB 3.78Å; L209-H222 HydrophobicContact CD2-CB 4.38Å; L209-H222 HydrophobicContact CG-CB 4.13Å; L209-I224 HydrophobicContact CD1-CG2 4.01Å
210	I	90.6	Very high	93.5	Very high	44 Å²	44	19.5 Å²	19.5	23%	0.226	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-53.2	178.3	-53.2	174.1	0	0	0	110.2	R208 V223 D225	R208-I210 PolarHBondContact O-N 2.76Å; I210-V223 HydrophobicContact CB-CG1 4.5Å; I210-V223 HydrophobicContact CD1-CG1 4.4Å; I210-V223 PolarHBondContact N-O 3.03Å; I210-D225 HydrophobicContact CD1-CB 3.62Å; I210-D225 HydrophobicContact CG1-CB 3.81Å
211	K	88.5	Confident	94	Very high	82 Å²	82	19.2 Å²	19.2	36%	0.357	10%	0.099	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	89.7	-178.6	-59.2	-176.4	-176.3	175.3	0	109.9	V106 H222 V223	V106-K211 PolarHBondContact O-NZ 3.36Å; K211-H222 WeakPolarHBondContact O-CA 3.42Å; K211-V223 HydrophobicContact CB-CB 3.89Å; K211-V223 HydrophobicContact CB-CG2 3.91Å; K211-V223 HydrophobicContact CD-CG2 4.31Å; K211-V223 HydrophobicContact CG-CB 4.38Å; K211-V223 HydrophobicContact CG-CG2 4.45Å; K211-V223 PolarHBondContact N-O 2.96Å; K211-V223 PolarHBondContact O-N 3.43Å
212	P	90.3	Very high	94.2	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.013	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	162.7	171.6	14.8	-24.3	0	0	0	113.5	Y23 L209 Q214 H222	Y23-P212 HydrophobicContact CE1-CB 4.23Å; Y23-P212 HydrophobicContact CE1-CG 3.87Å; Y23-P212 HydrophobicContact CE2-CG 3.69Å; Y23-P212 WeakPolarHBondContact OH-CG 3.39Å; L209-P212 HydrophobicContact CD2-CB 3.35Å; L209-P212 HydrophobicContact CD2-CG 3.94Å; P212-Q214 PolarHBondContact O-N 2.82Å; P212-Q214 PolarHBondContact O-NE2 2.81Å; P212-H222 WeakPolarHBondContact CA-ND1 3.44Å
213	D	90.7	Very high	94.3	Very high	25 Å²	25	18.6 Å²	18.6	13%	0.134	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	58.5	40.7	157.4	-59.1	-41.1	0	0	0	115.3	T173 S174 H215 I220 H222	T173-D213 WeakPolarHBondContact CA-OD1 3.34Å; S174-D213 WeakPolarHBondContact CB-OD2 3.31Å; S174-D213 PolarHBondContact N-OD1 2.84Å; S174-D213 PolarHBondContact OG-OD2 2.78Å; D213-H215 PolarHBondContact O-N 3.46Å; D213-I220 HydrophobicContact CB-CD1 4.34Å; D213-H222 PolarHBondContact N-CE1 3.42Å; D213-H222 PolarHBondContact N-ND1 3.02Å; D213-H222 IonicContact OD1-CE1 2.99Å; D213-H222 PolarHBondContact OD1-CE1 2.9Å
214	Q	90.9	Very high	94.4	Very high	14 Å²	14	18.6 Å²	18.6	7%	0.065	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	95.2	176.1	-52.5	-62.2	-43.6	0	0	108.9	T102 V106 P212 I220 V221	T102-Q214 HydrophobicContact CG2-CB 4.01Å; V106-Q214 HydrophobicContact CB-CG 4.39Å; V106-Q214 HydrophobicContact CG1-CB 3.62Å; V106-Q214 HydrophobicContact CG1-CG 3.45Å; V106-Q214 VanDerWaalsContact CG1-CG 3.45Å; P212-Q214 PolarHBondContact O-N 2.82Å; P212-Q214 PolarHBondContact O-NE2 2.81Å; Q214-I220 CarbonylContact O-C 3.48Å; Q214-I220 WeakPolarHBondContact O-CA 3.39Å; Q214-V221 HydrophobicContact CB-CB 4.14Å; Q214-V221 VanDerWaalsContact CB-O 3.25Å; Q214-V221 WeakPolarHBondContact CB-O 3.47Å; Q214-V221 PolarHBondContact N-O 3.19Å; Q214-V221 PolarHBondContact O-N 2.95Å
215	H	91.7	Very high	94.3	Very high	71 Å²	71	20 Å²	20	33%	0.329	10%	0.103	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	139.2	-175.4	-67	-56.9	0	0	0	112.6	L96 R171 D213	L96-H215 HydrophobicContact CD2-CB 3.42Å; L96-H215 VanDerWaalsContact CD2-CB 3.42Å; L96-H215 WeakPolarHBondContact CD2-O 3.43Å; R171-H215 PolarHBondContact NH2-CE1 3.03Å; R171-H215 PolarHBondContact NH2-ND1 2.95Å; D213-H215 PolarHBondContact O-N 3.46Å
216	A	93.3	Very high	94.3	Very high	2 Å²	2	23.6 Å²	23.6	2%	0.017	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	164.2	174	0	0	0	0	0	110.1	V97 I99 N218 G219	V97-A216 CarbonylContact O-C 3.47Å; V97-A216 WeakPolarHBondContact O-CA 3.36Å; V97-A216 WeakPolarHBondContact O-CB 3.35Å; I99-A216 HydrophobicContact CG1-CB 3.69Å; A216-N218 VanDerWaalsContact C-N 3.27Å; A216-N218 PolarHBondContact O-N 2.72Å; A216-G219 PolarHBondContact N-O 2.88Å; A216-G219 PolarHBondContact O-N 3.08Å; A216-G219 VanDerWaalsContact O-O 3.09Å
217	T	95.6	Very high	94.3	Very high	94 Å²	94	24.2 Å²	24.2	58%	0.577	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-35.4	177.7	51	0	0	0	0	112.6	L96 V97 N98	L96-T217 HydrophobicContact CB-CG2 3.93Å; L96-T217 WeakPolarHBondContact O-CG2 3.29Å; V97-T217 PolarHBondContact O-N 3.34Å; N98-T217 VanDerWaalsContact CA-OG1 3.31Å; N98-T217 WeakPolarHBondContact CA-OG1 3.26Å; N98-T217 PolarHBondContact N-OG1 3.45Å
218	N	96	Very high	94.3	Very high	10 Å²	10	24.6 Å²	24.6	5%	0.053	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.6	22.4	-178.7	63.5	-19.8	0	0	0	112.8	N98 I99 V124 G126 G128 S129 F130 A216	N98-N218 WeakPolarHBondContact CA-OD1 3.42Å; I99-N218 PolarHBondContact N-OD1 2.92Å; V124-N218 PolarHBondContact O-ND2 3.34Å; G126-N218 PolarHBondContact O-ND2 2.77Å; G128-N218 WeakPolarHBondContact O-CA 3.24Å; G128-N218 WeakPolarHBondContact O-CB 3.48Å; S129-N218 VanDerWaalsContact CA-O 3.3Å; S129-N218 WeakPolarHBondContact CA-O 3.18Å; F130-N218 WeakPolarHBondContact CD2-O 3.47Å; F130-N218 PolarHBondContact N-O 2.82Å; A216-N218 VanDerWaalsContact C-N 3.27Å; A216-N218 PolarHBondContact O-N 2.72Å
219	G	96	Very high	94.2	Very high	3 Å²	3	29 Å²	29	3%	0.031	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.4	-142.7	175.1	0	0	0	0	0	116.2	F130 A216	F130-G219 CarbonylContact O-C 3.06Å; F130-G219 WeakPolarHBondContact O-CA 3.28Å; A216-G219 PolarHBondContact N-O 2.88Å; A216-G219 PolarHBondContact O-N 3.08Å; A216-G219 VanDerWaalsContact O-O 3.09Å
220	I	96	Very high	94.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	143.3	-178.3	-162.2	169.2	0	0	0	111.1	F130 T131 F132 R171 L172 T173 D213 Q214	F130-I220 PolarHBondContact O-N 2.97Å; T131-I220 CarbonylContact C-O 3.48Å; T131-I220 WeakPolarHBondContact CA-O 3.11Å; T131-I220 HydrophobicContact CG2-CG2 3.92Å; T131-I220 WeakPolarHBondContact OG1-CG2 3.14Å; F132-I220 PolarHBondContact N-O 3.13Å; R171-I220 HydrophobicContact CG-CB 4.18Å; R171-I220 HydrophobicContact CG-CG2 4.01Å; L172-I220 WeakPolarHBondContact O-CG2 3.5Å; T173-I220 HydrophobicContact CG2-CD1 4.07Å; D213-I220 HydrophobicContact CB-CD1 4.34Å; Q214-I220 CarbonylContact O-C 3.48Å; Q214-I220 WeakPolarHBondContact O-CA 3.39Å
221	V	97.1	Very high	94	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	134.1	175.4	177.3	0	0	0	0	109.1	I99 T102 L103 V106 F132 A134 Q214	I99-V221 HydrophobicContact CG1-CG2 4.32Å; I99-V221 HydrophobicContact CG2-CG2 4.05Å; T102-V221 HydrophobicContact CG2-CB 4.01Å; T102-V221 HydrophobicContact CG2-CG2 3.79Å; L103-V221 HydrophobicContact CD2-CG1 3.94Å; L103-V221 HydrophobicContact CD2-CG2 4.33Å; V106-V221 HydrophobicContact CG2-CG1 4.18Å; F132-V221 HydrophobicContact CB-CG2 4.34Å; F132-V221 WeakPolarHBondContact O-CA 3.2Å; A134-V221 HydrophobicContact CB-CG1 3.85Å; Q214-V221 HydrophobicContact CB-CB 4.14Å; Q214-V221 VanDerWaalsContact CB-O 3.25Å; Q214-V221 WeakPolarHBondContact CB-O 3.47Å; Q214-V221 PolarHBondContact N-O 3.19Å; Q214-V221 PolarHBondContact O-N 2.95Å
222	H	96.3	Very high	94	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	122	167.2	-57.9	-73.3	0	0	0	108.7	F132 F133 A134 L172 L209 K211 P212 D213	F132-H222 PolarHBondContact O-N 3.42Å; F133-H222 CarbonylContact C-O 3.56Å; F133-H222 WeakPolarHBondContact CA-O 3.16Å; F133-H222 HydrophobicContact CD1-CB 3.95Å; F133-H222 AromaticContact CD1-CD2 3.93Å; F133-H222 HydrophobicContact CE1-CB 4.4Å; F133-H222 AromaticContact CE1-CD2 3.64Å; A134-H222 PolarHBondContact N-O 2.63Å; L172-H222 PolarHBondContact O-CE1 3.32Å; L172-H222 PolarHBondContact O-NE2 3.17Å; L209-H222 HydrophobicContact CD1-CB 3.78Å; L209-H222 HydrophobicContact CD2-CB 4.38Å; L209-H222 HydrophobicContact CG-CB 4.13Å; K211-H222 WeakPolarHBondContact O-CA 3.42Å; P212-H222 WeakPolarHBondContact CA-ND1 3.44Å; D213-H222 PolarHBondContact N-CE1 3.42Å; D213-H222 PolarHBondContact N-ND1 3.02Å; D213-H222 IonicContact OD1-CE1 2.99Å; D213-H222 PolarHBondContact OD1-CE1 2.9Å
223	V	96.2	Very high	94	Very high	5 Å²	5	33 Å²	33	3%	0.03	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	127.6	176.9	-175.3	0	0	0	0	109.4	V106 A134 I210 K211	V106-V223 HydrophobicContact CB-CG2 3.95Å; V106-V223 HydrophobicContact CG2-CG2 3.5Å; V106-V223 VanDerWaalsContact CG2-CG2 3.5Å; A134-V223 CarbonylContact O-C 3.54Å; A134-V223 VanDerWaalsContact O-CA 3.24Å; A134-V223 WeakPolarHBondContact O-CA 3.21Å; I210-V223 HydrophobicContact CB-CG1 4.5Å; I210-V223 HydrophobicContact CD1-CG1 4.4Å; I210-V223 PolarHBondContact N-O 3.03Å; K211-V223 HydrophobicContact CB-CB 3.89Å; K211-V223 HydrophobicContact CB-CG2 3.91Å; K211-V223 HydrophobicContact CD-CG2 4.31Å; K211-V223 HydrophobicContact CG-CB 4.38Å; K211-V223 HydrophobicContact CG-CG2 4.45Å; K211-V223 PolarHBondContact N-O 2.96Å; K211-V223 PolarHBondContact O-N 3.43Å
224	I	97.2	Very high	94.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	156.2	178.8	61.1	171.4	0	0	0	111.9	F133 A134 P135 S136 V204 A207 R208 L209 R226 I228	F133-I224 HydrophobicContact CB-CD1 4.11Å; F133-I224 HydrophobicContact CB-CG2 4.3Å; A134-I224 PolarHBondContact O-N 3.22Å; P135-I224 HydrophobicContact CB-CG1 4.49Å; P135-I224 HydrophobicContact CG-CD1 4.47Å; P135-I224 HydrophobicContact CG-CG1 4.43Å; S136-I224 PolarHBondContact N-O 3.07Å; V204-I224 HydrophobicContact CG2-CG2 4.4Å; A207-I224 HydrophobicContact CB-CB 4.12Å; A207-I224 HydrophobicContact CB-CD1 4.05Å; R208-I224 CarbonylContact O-C 3.53Å; R208-I224 WeakPolarHBondContact O-CA 3.24Å; L209-I224 HydrophobicContact CD1-CG2 4.01Å; I224-R226 WeakPolarHBondContact CD1-O 3.49Å; I224-R226 WeakPolarHBondContact CG1-O 3.29Å; I224-I228 HydrophobicContact CD1-CG1 4.32Å; I224-I228 HydrophobicContact CD1-CG2 3.83Å
225	D	95.5	Very high	94.2	Very high	29 Å²	29	33.1 Å²	33.1	16%	0.155	20%	0.197	C	C	.	.	S	Bend	trans	-89.1	4.5	-173.4	76.1	-11.6	0	0	0	115.7	A139 A207 R208 I210	A139-D225 WeakPolarHBondContact CB-O 3.42Å; A207-D225 WeakPolarHBondContact CA-OD1 3.19Å; R208-D225 WeakPolarHBondContact CB-OD2 3.32Å; R208-D225 IonicContact CZ-OD2 2.92Å; R208-D225 PolarHBondContact N-OD1 2.9Å; R208-D225 IonicContact NE-OD2 3.31Å; R208-D225 IonicContact NH2-OD2 3.57Å; R208-D225 PolarHBondContact NH2-OD2 2.9Å; R208-D225 PolarHBondContact O-N 3.31Å; I210-D225 HydrophobicContact CD1-CB 3.62Å; I210-D225 HydrophobicContact CG1-CB 3.81Å
226	R	95.6	Very high	94.3	Very high	83 Å²	83	30.4 Å²	30.4	31%	0.313	18%	0.184	S	C	.	.	S	Bend	trans	-148.4	151.6	179.2	-151.1	-177.6	-47.2	-165.5	5.9	110.6	C206 A207 I224 D348	C206-R226 PolarHBondContact O-NH2 3.25Å; A207-R226 HydrophobicContact CB-CB 3.68Å; I224-R226 WeakPolarHBondContact CD1-O 3.49Å; I224-R226 WeakPolarHBondContact CG1-O 3.29Å; R226-D348 IonicContact CZ-OD2 3.96Å; R226-D348 IonicContact NH1-OD2 2.85Å; R226-D348 PolarHBondContact NH1-OD2 3.26Å; R226-D348 VanDerWaalsContact NH1-OD2 3.12Å; R226-D348 IonicContact NH2-OD2 3.61Å; R226-D348 PolarHBondContact NH2-OD2 3.41Å
227	V	97.3	Very high	94.3	Very high	14 Å²	14	32.4 Å²	32.4	9%	0.085	20%	0.199	C	C	.	.			trans	-75.1	120.7	163.9	-176.3	0	0	0	0	107.3	P135 A139 W140 L143	P135-V227 HydrophobicContact CB-CG2 3.81Å; P135-V227 HydrophobicContact CG-CB 4.4Å; P135-V227 HydrophobicContact CG-CG2 4Å; A139-V227 HydrophobicContact CB-CG2 4.45Å; W140-V227 HydrophobicContact CD2-CG2 3.68Å; W140-V227 HydrophobicContact CE3-CG2 3.72Å; W140-V227 HydrophobicContact CG-CG2 4.18Å; W140-V227 HydrophobicContact CH2-CG1 4.03Å; W140-V227 HydrophobicContact CH2-CG2 4.26Å; W140-V227 HydrophobicContact CZ2-CG1 4.47Å; W140-V227 HydrophobicContact CZ2-CG2 4.24Å; W140-V227 HydrophobicContact CZ3-CG1 4.15Å; W140-V227 HydrophobicContact CZ3-CG2 4.02Å; L143-V227 HydrophobicContact CD1-CB 4.15Å; L143-V227 HydrophobicContact CD1-CG1 4.3Å; L143-V227 HydrophobicContact CD1-CG2 3.85Å; L143-V227 HydrophobicContact CD2-CB 4.11Å; L143-V227 HydrophobicContact CD2-CG2 4.41Å; L143-V227 HydrophobicContact CG-CB 4.3Å; L143-V227 HydrophobicContact CG-CG2 4.05Å
228	I	96.8	Very high	94.2	Very high	8 Å²	8	29.5 Å²	29.5	4%	0.041	18%	0.179	C	C	.	.			trans	-87.6	147.9	-178.9	57.8	164.6	0	0	0	110.9	Y165 H166 V192 V204 N205 A207 I224	Y165-I228 HydrophobicContact CD1-CD1 4.02Å; Y165-I228 HydrophobicContact CD1-CG1 4.01Å; Y165-I228 HydrophobicContact CE1-CB 4.31Å; Y165-I228 HydrophobicContact CE1-CD1 3.78Å; Y165-I228 HydrophobicContact CE1-CG1 3.98Å; H166-I228 WeakPolarHBondContact CD2-CG1 3.24Å; H166-I228 PolarHBondContact CE1-N 2.82Å; H166-I228 PolarHBondContact CE1-O 3.1Å; H166-I228 VanDerWaalsContact NE2-CG1 3.26Å; H166-I228 WeakPolarHBondContact NE2-CG1 3.38Å; H166-I228 PolarHBondContact NE2-N 3.37Å; V192-I228 HydrophobicContact CG1-CD1 3.84Å; V204-I228 HydrophobicContact CG1-CD1 4.09Å; V204-I228 WeakPolarHBondContact O-CG2 3.4Å; N205-I228 HydrophobicContact CB-CB 4.12Å; N205-I228 HydrophobicContact CB-CG2 3.86Å; A207-I228 HydrophobicContact CB-CG2 3.61Å; I224-I228 HydrophobicContact CD1-CG1 4.32Å; I224-I228 HydrophobicContact CD1-CG2 3.83Å
229	T	93.2	Very high	94.1	Very high	106 Å²	106	29.1 Å²	29.1	65%	0.65	18%	0.177	S	C	*	.			trans	-118.1	152.8	177.6	56.2	0	0	0	0	110.4	Y165 N205 V231	Y165-T229 WeakPolarHBondContact CE1-O 3.44Å; Y165-T229 PolarHBondContact OH-O 3.3Å; N205-T229 PolarHBondContact ND2-O 3.11Å; N205-T229 VanDerWaalsContact ND2-O 3.17Å; T229-V231 PolarHBondContact O-N 2.92Å
230	A	91.2	Very high	94	Very high	45 Å²	45	32.1 Å²	32.1	37%	0.372	19%	0.192	S	C	.	.			trans	-60.2	135.3	175.5	0	0	0	0	0	110.8	Y165	Y165-A230 HydrophobicContact CD2-CB 4.17Å; Y165-A230 HydrophobicContact CE1-CB 4.46Å; Y165-A230 HydrophobicContact CE2-CB 3.98Å; Y165-A230 VanDerWaalsContact CZ-CA 3.42Å
231	V	89.7	Confident	94	Very high	25 Å²	25	37.9 Å²	37.9	15%	0.152	23%	0.227	C	C	.	.			trans	-103.2	103	177.4	-177.3	0	0	0	0	107.5	T229 L350 T352	T229-V231 PolarHBondContact O-N 2.92Å; V231-L350 HydrophobicContact CG1-CB 4.42Å; V231-L350 HydrophobicContact CG2-CB 3.85Å; V231-L350 HydrophobicContact CG2-CD1 4.41Å; V231-T352 HydrophobicContact CG1-CG2 4.12Å
232	S	86.8	Confident	93.9	Very high	108 Å²	108	39.6 Å²	39.6	76%	0.755	24%	0.237	S	C	*	.			trans	-105.1	-23.8	-178.2	55.9	0	0	0	0	113.8
233	S	91.3	Very high	93.9	Very high	51 Å²	51	45 Å²	45	36%	0.357	27%	0.265	S	S	.	.	S	Bend	trans	-104.3	144.4	-172.8	-57.8	0	0	0	0	110.9	G351 T352	S233-G351 CarbonylContact O-C 3.55Å; S233-G351 WeakPolarHBondContact O-CA 3.49Å; S233-T352 PolarHBondContact O-N 2.77Å
234	D	92.3	Very high	94	Very high	42 Å²	42	49.3 Å²	49.3	23%	0.225	29%	0.288	C	S	.	.			trans	-76.3	171.8	166.5	55.7	41.4	0	0	0	111.2	Q236 S237 I238 T352	D234-Q236 VanDerWaalsContact C-N 3.3Å; D234-Q236 PolarHBondContact O-N 3.06Å; D234-Q236 PolarHBondContact OD1-N 2.88Å; D234-S237 PolarHBondContact O-N 2.84Å; D234-S237 VanDerWaalsContact OD1-CB 3.24Å; D234-S237 WeakPolarHBondContact OD1-CB 3.31Å; D234-S237 PolarHBondContact OD1-N 2.72Å; D234-S237 PolarHBondContact OD1-OG 3.27Å; D234-I238 WeakPolarHBondContact O-CG1 3.18Å; D234-I238 PolarHBondContact O-N 3.01Å; D234-T352 WeakPolarHBondContact CA-OG1 3.39Å
235	M	93.3	Very high	94	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-61.7	-36.8	179	-70.3	-175.2	-65	0	0	112.9	I238 V239 L261 Y267 V269 N353 I356	M235-I238 PolarHBondContact O-N 3.26Å; M235-V239 WeakPolarHBondContact O-CG2 3.45Å; M235-V239 PolarHBondContact O-N 3.28Å; M235-L261 HydrophobicContact CB-CD2 4.48Å; M235-L261 HydrophobicContact CE-CD2 4.06Å; M235-Y267 HydrophobicContact CE-CD2 3.85Å; M235-Y267 HydrophobicContact CE-CG 4.22Å; M235-V269 HydrophobicContact CE-CG2 4.49Å; M235-V269 HydrophobicContact SD-CG2 3.78Å; M235-N353 WeakPolarHBondContact CG-OD1 2.96Å; M235-N353 PolarHBondContact N-OD1 3.23Å; M235-I356 HydrophobicContact CB-CD1 3.98Å; M235-I356 HydrophobicContact CB-CG1 4.38Å; M235-I356 HydrophobicContact CG-CD1 4.1Å; M235-I356 HydrophobicContact CG-CG1 4.04Å; M235-I356 HydrophobicContact SD-CG1 4.29Å
236	Q	92.9	Very high	94.1	Very high	13 Å²	13	52.3 Å²	52.3	6%	0.061	30%	0.301	C	S	.	.	H	α-helix	trans	-61.5	-47.4	178.9	179.2	59.4	40.6	0	0	110.7	D234 I238 V239 D240 L261 E262	D234-Q236 VanDerWaalsContact C-N 3.3Å; D234-Q236 PolarHBondContact O-N 3.06Å; D234-Q236 PolarHBondContact OD1-N 2.88Å; Q236-I238 VanDerWaalsContact C-N 3.29Å; Q236-I238 PolarHBondContact O-N 2.88Å; Q236-V239 PolarHBondContact O-N 3.32Å; Q236-V239 VanDerWaalsContact O-N 3.12Å; Q236-D240 PolarHBondContact NE2-OD1 3.25Å; Q236-D240 PolarHBondContact NE2-OD2 2.87Å; Q236-D240 WeakPolarHBondContact O-CB 3.49Å; Q236-D240 VanDerWaalsContact O-CG 3.32Å; Q236-D240 PolarHBondContact O-N 3.43Å; Q236-L261 HydrophobicContact CB-CB 3.88Å; Q236-L261 PolarHBondContact N-O 3.48Å; Q236-E262 HydrophobicContact CB-CG 3.9Å; Q236-E262 HydrophobicContact CG-CG 3.93Å
237	S	93.8	Very high	94.1	Very high	45 Å²	45	50.7 Å²	50.7	32%	0.315	30%	0.301	S	S	.	.	H	α-helix	trans	-60.5	-37.3	177.3	-58.6	0	0	0	0	112.4	D234 D240 V241	D234-S237 PolarHBondContact O-N 2.84Å; D234-S237 VanDerWaalsContact OD1-CB 3.24Å; D234-S237 WeakPolarHBondContact OD1-CB 3.31Å; D234-S237 PolarHBondContact OD1-N 2.72Å; D234-S237 PolarHBondContact OD1-OG 3.27Å; S237-D240 PolarHBondContact O-N 2.81Å; S237-V241 WeakPolarHBondContact O-CG2 3.25Å; S237-V241 PolarHBondContact O-N 2.04Å
238	I	93.9	Very high	94.1	Very high	33 Å²	33	50 Å²	50	17%	0.169	30%	0.297	C	S	.	.	H	α-helix	trans	-65.1	-45.4	175.2	-65.9	165.8	0	0	0	110.3	D234 M235 Q236 D240 D242 L350 I356	D234-I238 WeakPolarHBondContact O-CG1 3.18Å; D234-I238 PolarHBondContact O-N 3.01Å; M235-I238 PolarHBondContact O-N 3.26Å; Q236-I238 VanDerWaalsContact C-N 3.29Å; Q236-I238 PolarHBondContact O-N 2.88Å; I238-D240 VanDerWaalsContact C-N 3.28Å; I238-D240 PolarHBondContact O-N 2.75Å; I238-D242 PolarHBondContact O-N 3.16Å; I238-L350 VanDerWaalsContact CD1-O 3.31Å; I238-L350 WeakPolarHBondContact CD1-O 3.18Å; I238-I356 HydrophobicContact CB-CD1 3.97Å; I238-I356 HydrophobicContact CD1-CD1 4.39Å; I238-I356 HydrophobicContact CG2-CD1 3.79Å
239	V	94.9	Very high	94	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.006	31%	0.308	C	S	.	.	H	α-helix	trans	-65.3	-33.1	177.5	173	0	0	0	0	111.6	M235 Q236 L245 R249 I356	M235-V239 WeakPolarHBondContact O-CG2 3.45Å; M235-V239 PolarHBondContact O-N 3.28Å; Q236-V239 PolarHBondContact O-N 3.32Å; Q236-V239 VanDerWaalsContact O-N 3.12Å; V239-L245 HydrophobicContact CG1-CB 4.41Å; V239-L245 HydrophobicContact CG2-CD1 4.11Å; V239-R249 HydrophobicContact CG1-CB 3.96Å; V239-I356 HydrophobicContact CG2-CD1 4.04Å
240	D	93.4	Very high	94.1	Very high	66 Å²	66	51.2 Å²	51.2	35%	0.353	30%	0.302	S	S	.	.	H	α-helix	trans	-73.6	-29.3	-178	-75.1	-24.9	0	0	0	113.9	Q236 S237 I238 R249	Q236-D240 PolarHBondContact NE2-OD1 3.25Å; Q236-D240 PolarHBondContact NE2-OD2 2.87Å; Q236-D240 WeakPolarHBondContact O-CB 3.49Å; Q236-D240 VanDerWaalsContact O-CG 3.32Å; Q236-D240 PolarHBondContact O-N 3.43Å; S237-D240 PolarHBondContact O-N 2.81Å; I238-D240 VanDerWaalsContact C-N 3.28Å; I238-D240 PolarHBondContact O-N 2.75Å; D240-R249 PolarHBondContact O-NH1 3.12Å; D240-R249 WeakPolarHBondContact OD1-CD 3.45Å; D240-R249 WeakPolarHBondContact OD1-CG 3.29Å
241	V	95	Very high	94.3	Very high	121 Å²	121	49.3 Å²	49.3	73%	0.733	29%	0.287	S	S	*	.	H	α-helix	trans	-92.8	-22.8	-176.8	175.5	0	0	0	0	112.9	S237	S237-V241 WeakPolarHBondContact O-CG2 3.25Å; S237-V241 PolarHBondContact O-N 2.04Å
242	D	95.6	Very high	94.6	Very high	37 Å²	37	48.2 Å²	48.2	20%	0.198	28%	0.28	C	S	.	.			trans	-87.9	114.6	-174.7	-159.9	-53.2	0	0	0	112	I238 D244 L245 Y358	I238-D242 PolarHBondContact O-N 3.16Å; D242-D244 PolarHBondContact O-N 2.93Å; D242-D244 WeakPolarHBondContact OD1-CB 3.19Å; D242-D244 PolarHBondContact OD1-N 2.82Å; D242-L245 HydrophobicContact CB-CD1 4.35Å; D242-L245 HydrophobicContact CB-CG 4.35Å; D242-L245 PolarHBondContact O-N 2.79Å; D242-L245 VanDerWaalsContact O-N 3.07Å; D242-Y358 PolarHBondContact OD2-OH 2.98Å
243	D	97	Very high	94.9	Very high	112 Å²	112	46 Å²	46	60%	0.599	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-64	-20.6	-179.3	-64.8	-27.2	0	0	0	112.9	L245 E246 N274	D243-L245 PolarHBondContact O-N 3.31Å; D243-E246 WeakPolarHBondContact O-CG 3.12Å; D243-N274 PolarHBondContact O-ND2 3.29Å
244	D	97	Very high	95.1	Very high	96 Å²	96	47.3 Å²	47.3	51%	0.513	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-74.2	-10.5	175.9	-72.1	-24.9	0	0	0	112.5	D242 T273 N274	D242-D244 PolarHBondContact O-N 2.93Å; D242-D244 WeakPolarHBondContact OD1-CB 3.19Å; D242-D244 PolarHBondContact OD1-N 2.82Å; D244-T273 HydrophobicContact CB-CG2 4.49Å; D244-T273 CarbonylContact O-C 3.48Å; D244-T273 VanDerWaalsContact O-CA 3.31Å; D244-T273 WeakPolarHBondContact O-CA 3.27Å; D244-N274 PolarHBondContact O-N 2.99Å; D244-N274 PolarHBondContact O-ND2 2.69Å
245	L	97.3	Very high	95.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-114	11.3	-173.9	-59.5	-174.3	0	0	0	114.2	V239 D242 D243 T247 L248 R249 A271 Y358	V239-L245 HydrophobicContact CG1-CB 4.41Å; V239-L245 HydrophobicContact CG2-CD1 4.11Å; D242-L245 HydrophobicContact CB-CD1 4.35Å; D242-L245 HydrophobicContact CB-CG 4.35Å; D242-L245 PolarHBondContact O-N 2.79Å; D242-L245 VanDerWaalsContact O-N 3.07Å; D243-L245 PolarHBondContact O-N 3.31Å; L245-T247 VanDerWaalsContact C-N 3.31Å; L245-T247 PolarHBondContact O-N 2.85Å; L245-L248 HydrophobicContact CD2-CD2 4.24Å; L245-L248 WeakPolarHBondContact O-CB 3.35Å; L245-L248 PolarHBondContact O-N 2.85Å; L245-R249 PolarHBondContact O-N 2.89Å; L245-A271 HydrophobicContact CD1-CB 4.14Å; L245-A271 HydrophobicContact CD2-CB 3.91Å; L245-Y358 HydrophobicContact CD1-CE1 3.89Å; L245-Y358 HydrophobicContact CD1-CE2 4.39Å; L245-Y358 WeakPolarHBondContact CD1-OH 3.33Å; L245-Y358 HydrophobicContact CD2-CD1 4.13Å; L245-Y358 HydrophobicContact CD2-CE1 3.95Å; L245-Y358 HydrophobicContact CG-CE1 3.88Å
246	E	97.1	Very high	95.2	Very high	93 Å²	93	49 Å²	49	44%	0.435	31%	0.307	S	S	.	.	H	α-helix	trans	-53.4	-43.8	-177.8	-66.2	-169.7	142.2	0	0	114	D243 L248 R249 A250 N274	D243-E246 WeakPolarHBondContact O-CG 3.12Å; E246-L248 VanDerWaalsContact C-N 3.34Å; E246-R249 WeakPolarHBondContact O-CB 3.27Å; E246-R249 PolarHBondContact O-N 3.25Å; E246-R249 IonicContact OE1-NH2 2.72Å; E246-A250 PolarHBondContact O-N 2.85Å; E246-A250 VanDerWaalsContact O-N 3.08Å; E246-N274 PolarHBondContact N-OD1 2.93Å
247	T	96.6	Very high	95.1	Very high	48 Å²	48	49 Å²	49	29%	0.294	31%	0.308	S	S	.	.	H	α-helix	trans	-66.5	-39	179.7	-51.5	0	0	0	0	111.1	L245 A250 A251 N274 F277	L245-T247 VanDerWaalsContact C-N 3.31Å; L245-T247 PolarHBondContact O-N 2.85Å; T247-A250 PolarHBondContact O-N 2.79Å; T247-A251 WeakPolarHBondContact O-CB 3.4Å; T247-A251 PolarHBondContact O-N 2.89Å; T247-N274 WeakPolarHBondContact CB-OD1 3.07Å; T247-N274 PolarHBondContact N-OD1 2.82Å; T247-N274 PolarHBondContact OG1-OD1 2.88Å; T247-F277 HydrophobicContact CG2-CB 3.93Å; T247-F277 HydrophobicContact CG2-CD1 3.8Å; T247-F277 HydrophobicContact CG2-CD2 3.63Å; T247-F277 HydrophobicContact CG2-CE1 4.16Å; T247-F277 HydrophobicContact CG2-CE2 4Å; T247-F277 HydrophobicContact CG2-CG 3.51Å; T247-F277 HydrophobicContact CG2-CZ 4.25Å
248	L	96.8	Very high	94.7	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-65.8	-43.6	176.7	179.4	61.4	0	0	0	111.3	L245 E246 A250 A251 F252 A271 P272 F277 L299	L245-L248 HydrophobicContact CD2-CD2 4.24Å; L245-L248 WeakPolarHBondContact O-CB 3.35Å; L245-L248 PolarHBondContact O-N 2.85Å; E246-L248 VanDerWaalsContact C-N 3.34Å; L248-A250 PolarHBondContact O-N 2.78Å; L248-A251 WeakPolarHBondContact O-CB 3.38Å; L248-A251 PolarHBondContact O-N 3.24Å; L248-F252 HydrophobicContact CD1-CD2 3.79Å; L248-F252 HydrophobicContact CD1-CE2 3.43Å; L248-F252 VanDerWaalsContact CD1-CE2 3.43Å; L248-F252 HydrophobicContact CD1-CZ 4.05Å; L248-F252 HydrophobicContact CD2-CD2 4.45Å; L248-F252 HydrophobicContact CD2-CE2 3.85Å; L248-F252 HydrophobicContact CG-CD2 3.69Å; L248-F252 HydrophobicContact CG-CE2 3.48Å; L248-F252 VanDerWaalsContact CG-CE2 3.48Å; L248-F252 WeakPolarHBondContact O-CD2 3.45Å; L248-F252 PolarHBondContact O-N 3.43Å; L248-A271 HydrophobicContact CD2-CB 3.55Å; L248-P272 HydrophobicContact CD1-CG 3.94Å; L248-P272 HydrophobicContact CD2-CG 4.5Å; L248-F277 HydrophobicContact CB-CE2 4.05Å; L248-F277 HydrophobicContact CB-CZ 4.47Å; L248-F277 HydrophobicContact CD1-CZ 4.38Å; L248-L299 HydrophobicContact CD1-CD2 3.78Å
249	R	95.4	Very high	94.4	Very high	76 Å²	76	51 Å²	51	29%	0.287	32%	0.32	S	S	.	.	H	α-helix	trans	-56.5	-48.4	175.5	-179.1	177.6	66.2	-154	-5.2	111.3	V239 D240 L245 E246 A251 F252 A253	V239-R249 HydrophobicContact CG1-CB 3.96Å; D240-R249 PolarHBondContact O-NH1 3.12Å; D240-R249 WeakPolarHBondContact OD1-CD 3.45Å; D240-R249 WeakPolarHBondContact OD1-CG 3.29Å; L245-R249 PolarHBondContact O-N 2.89Å; E246-R249 WeakPolarHBondContact O-CB 3.27Å; E246-R249 PolarHBondContact O-N 3.25Å; E246-R249 IonicContact OE1-NH2 2.72Å; R249-A251 VanDerWaalsContact C-N 3.34Å; R249-A251 PolarHBondContact O-N 3.43Å; R249-F252 PolarHBondContact O-N 3.41Å; R249-A253 PolarHBondContact O-N 2.84Å; R249-A253 VanDerWaalsContact O-N 3.07Å
250	A	95.4	Very high	94	Very high	62 Å²	62	52.5 Å²	52.5	51%	0.512	33%	0.328	S	S	.	.	H	α-helix	trans	-61.6	-41.5	176.5	0	0	0	0	0	112.2	E246 T247 L248 A253 A254	E246-A250 PolarHBondContact O-N 2.85Å; E246-A250 VanDerWaalsContact O-N 3.08Å; T247-A250 PolarHBondContact O-N 2.79Å; L248-A250 PolarHBondContact O-N 2.78Å; A250-A253 PolarHBondContact O-N 3.13Å; A250-A254 WeakPolarHBondContact O-CB 3.38Å; A250-A254 PolarHBondContact O-N 3.38Å
251	A	95.8	Very high	93.6	Very high	6 Å²	6	49.5 Å²	49.5	5%	0.05	31%	0.312	C	S	.	.	H	α-helix	trans	-63.6	-43.7	176.9	0	0	0	0	0	112.4	T247 L248 R249 A253 A254 A255 L289 L295 L299	T247-A251 WeakPolarHBondContact O-CB 3.4Å; T247-A251 PolarHBondContact O-N 2.89Å; L248-A251 WeakPolarHBondContact O-CB 3.38Å; L248-A251 PolarHBondContact O-N 3.24Å; R249-A251 VanDerWaalsContact C-N 3.34Å; R249-A251 PolarHBondContact O-N 3.43Å; A251-A253 PolarHBondContact O-N 3.19Å; A251-A254 PolarHBondContact O-N 3.25Å; A251-A255 WeakPolarHBondContact O-CB 3.33Å; A251-A255 PolarHBondContact O-N 3.36Å; A251-L289 HydrophobicContact CB-CD2 4.45Å; A251-L295 HydrophobicContact CB-CD1 4.1Å; A251-L299 HydrophobicContact CB-CD1 4.27Å; A251-L299 HydrophobicContact CB-CD2 4.15Å; A251-L299 WeakPolarHBondContact O-CD1 3.44Å
252	F	95.1	Very high	93.2	Very high	1 Å²	1	48.9 Å²	48.9	0%	0.004	30%	0.301	C	S	.	.	H	α-helix	trans	-62	-41.9	176.1	-84.7	-53.8	0	0	0	112.7	L248 R249 A255 G256 L257 L261 V269 L299 I303	L248-F252 HydrophobicContact CD1-CD2 3.79Å; L248-F252 HydrophobicContact CD1-CE2 3.43Å; L248-F252 VanDerWaalsContact CD1-CE2 3.43Å; L248-F252 HydrophobicContact CD1-CZ 4.05Å; L248-F252 HydrophobicContact CD2-CD2 4.45Å; L248-F252 HydrophobicContact CD2-CE2 3.85Å; L248-F252 HydrophobicContact CG-CD2 3.69Å; L248-F252 HydrophobicContact CG-CE2 3.48Å; L248-F252 VanDerWaalsContact CG-CE2 3.48Å; L248-F252 WeakPolarHBondContact O-CD2 3.45Å; L248-F252 PolarHBondContact O-N 3.43Å; R249-F252 PolarHBondContact O-N 3.41Å; F252-A255 PolarHBondContact O-N 2.84Å; F252-G256 PolarHBondContact O-N 2.87Å; F252-G256 VanDerWaalsContact O-N 3.17Å; F252-L257 HydrophobicContact CD1-CB 3.66Å; F252-L257 HydrophobicContact CD1-CD1 4.15Å; F252-L257 HydrophobicContact CE1-CB 4.3Å; F252-L257 HydrophobicContact CE1-CD1 4.25Å; F252-L257 PolarHBondContact O-N 3.45Å; F252-L261 HydrophobicContact CD1-CD1 4.31Å; F252-L261 HydrophobicContact CD2-CD1 3.73Å; F252-L261 HydrophobicContact CE1-CD1 4.29Å; F252-L261 HydrophobicContact CE2-CD1 3.68Å; F252-L261 HydrophobicContact CG-CD1 4.06Å; F252-L261 HydrophobicContact CZ-CD1 3.98Å; F252-V269 HydrophobicContact CZ-CG1 4.39Å; F252-L299 HydrophobicContact CD1-CB 4.48Å; F252-L299 HydrophobicContact CD1-CD1 3.91Å; F252-L299 HydrophobicContact CD1-CD2 4.33Å; F252-L299 HydrophobicContact CD1-CG 4.48Å; F252-L299 HydrophobicContact CE1-CB 4.09Å; F252-L299 HydrophobicContact CE1-CD1 4.32Å; F252-L299 HydrophobicContact CE1-CD2 4.17Å; F252-L299 HydrophobicContact CE1-CG 4.43Å; F252-L299 HydrophobicContact CZ-CD2 4.41Å; F252-I303 HydrophobicContact CE1-CD1 4.02Å; F252-I303 HydrophobicContact CZ-CD1 4.3Å
253	A	93.7	Very high	92.8	Very high	63 Å²	63	49.4 Å²	49.4	52%	0.521	31%	0.308	S	S	.	.	H	α-helix	trans	-62.3	-47.8	175.4	0	0	0	0	0	111.3	R249 A250 A251 A255 G256	R249-A253 PolarHBondContact O-N 2.84Å; R249-A253 VanDerWaalsContact O-N 3.07Å; A250-A253 PolarHBondContact O-N 3.13Å; A251-A253 PolarHBondContact O-N 3.19Å; A253-A255 VanDerWaalsContact C-N 3.28Å; A253-A255 PolarHBondContact O-N 3.21Å; A253-G256 PolarHBondContact O-N 3.21Å; A253-G256 VanDerWaalsContact O-N 3.11Å
254	A	94.8	Very high	92.3	Very high	78 Å²	78	50 Å²	50	65%	0.645	32%	0.318	S	S	*	.	H	α-helix	trans	-62.6	-33.1	178.5	0	0	0	0	0	113.1	A250 A251 G256 L295	A250-A254 WeakPolarHBondContact O-CB 3.38Å; A250-A254 PolarHBondContact O-N 3.38Å; A251-A254 PolarHBondContact O-N 3.25Å; A254-G256 VanDerWaalsContact C-N 3.33Å; A254-L295 HydrophobicContact CB-CD2 3.9Å
255	A	95.1	Very high	91.8	Very high	21 Å²	21	47 Å²	47	17%	0.174	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-7.3	177.3	0	0	0	0	0	114.4	A251 F252 A253 L257 L295 L299	A251-A255 WeakPolarHBondContact O-CB 3.33Å; A251-A255 PolarHBondContact O-N 3.36Å; F252-A255 PolarHBondContact O-N 2.84Å; A253-A255 VanDerWaalsContact C-N 3.28Å; A253-A255 PolarHBondContact O-N 3.21Å; A255-L257 VanDerWaalsContact C-N 3.31Å; A255-L257 HydrophobicContact CB-CB 4.41Å; A255-L257 HydrophobicContact CB-CD1 4.04Å; A255-L257 HydrophobicContact CB-CG 3.99Å; A255-L257 PolarHBondContact O-N 3.05Å; A255-L295 HydrophobicContact CB-CD2 4.05Å; A255-L295 HydrophobicContact CB-CG 4.03Å; A255-L299 HydrophobicContact CB-CD1 3.46Å; A255-L299 VanDerWaalsContact CB-CD1 3.46Å
256	G	91.9	Very high	91.5	Very high	55 Å²	55	49.9 Å²	49.9	57%	0.567	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	32.8	-174.2	0	0	0	0	0	113.4	F252 A253 A254	F252-G256 PolarHBondContact O-N 2.87Å; F252-G256 VanDerWaalsContact O-N 3.17Å; A253-G256 PolarHBondContact O-N 3.21Å; A253-G256 VanDerWaalsContact O-N 3.11Å; A254-G256 VanDerWaalsContact C-N 3.33Å
257	L	90.8	Very high	91.4	Very high	15 Å²	15	47.1 Å²	47.1	8%	0.079	31%	0.309	C	S	.	.			trans	-104	-1.1	-176.1	-75.8	-178.4	0	0	0	113.8	F252 A255 T259 L260 L299	F252-L257 HydrophobicContact CD1-CB 3.66Å; F252-L257 HydrophobicContact CD1-CD1 4.15Å; F252-L257 HydrophobicContact CE1-CB 4.3Å; F252-L257 HydrophobicContact CE1-CD1 4.25Å; F252-L257 PolarHBondContact O-N 3.45Å; A255-L257 VanDerWaalsContact C-N 3.31Å; A255-L257 HydrophobicContact CB-CB 4.41Å; A255-L257 HydrophobicContact CB-CD1 4.04Å; A255-L257 HydrophobicContact CB-CG 3.99Å; A255-L257 PolarHBondContact O-N 3.05Å; L257-T259 PolarHBondContact O-N 2.77Å; L257-L260 HydrophobicContact CD2-CD2 4.39Å; L257-L260 VanDerWaalsContact O-CB 3.24Å; L257-L260 WeakPolarHBondContact O-CB 3.22Å; L257-L260 PolarHBondContact O-N 3.38Å; L257-L299 HydrophobicContact CD1-CB 3.64Å; L257-L299 HydrophobicContact CD1-CD1 3.94Å; L257-L299 HydrophobicContact CD1-CG 4.48Å
258	S	86.7	Confident	91.4	Very high	29 Å²	29	44.9 Å²	44.9	20%	0.203	30%	0.295	C	S	.	.	H	α-helix	trans	-55.3	-39.9	177.4	-53.1	0	0	0	0	112.7	L260 L261 E262	S258-L260 PolarHBondContact O-N 2.95Å; S258-L261 PolarHBondContact O-N 3.4Å; S258-E262 PolarHBondContact O-N 3.06Å
259	T	86.9	Confident	91.4	Very high	89 Å²	89	44.9 Å²	44.9	55%	0.546	30%	0.295	S	S	.	.	H	α-helix	trans	-63.6	-25.9	178.5	57.3	0	0	0	0	113.3	L257 L261 E262 S263	L257-T259 PolarHBondContact O-N 2.77Å; T259-L261 VanDerWaalsContact C-N 3.34Å; T259-E262 PolarHBondContact O-N 3.43Å; T259-S263 VanDerWaalsContact O-CB 3.3Å; T259-S263 WeakPolarHBondContact O-CB 3.47Å; T259-S263 PolarHBondContact O-N 2.95Å; T259-S263 PolarHBondContact O-OG 3.14Å
260	L	86.8	Confident	91.6	Very high	34 Å²	34	41.3 Å²	41.3	18%	0.178	28%	0.282	C	S	.	.	H	α-helix	trans	-67.1	-38.4	174.3	-179	70.1	0	0	0	110.9	L257 S258 E262 S263 Y267 I303 L322	L257-L260 HydrophobicContact CD2-CD2 4.39Å; L257-L260 VanDerWaalsContact O-CB 3.24Å; L257-L260 WeakPolarHBondContact O-CB 3.22Å; L257-L260 PolarHBondContact O-N 3.38Å; S258-L260 PolarHBondContact O-N 2.95Å; L260-E262 VanDerWaalsContact C-N 3.34Å; L260-S263 PolarHBondContact O-N 2.83Å; L260-Y267 HydrophobicContact CD1-CE1 4.12Å; L260-Y267 HydrophobicContact CD1-CE2 4.5Å; L260-I303 HydrophobicContact CD2-CD1 3.73Å; L260-L322 HydrophobicContact CD2-CD1 3.7Å
261	L	84.3	Confident	91.7	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-79.8	-14.9	-179.8	-61.8	-177.1	0	0	0	113.5	M235 Q236 F252 S258 T259 V269 N353	M235-L261 HydrophobicContact CB-CD2 4.48Å; M235-L261 HydrophobicContact CE-CD2 4.06Å; Q236-L261 HydrophobicContact CB-CB 3.88Å; Q236-L261 PolarHBondContact N-O 3.48Å; F252-L261 HydrophobicContact CD1-CD1 4.31Å; F252-L261 HydrophobicContact CD2-CD1 3.73Å; F252-L261 HydrophobicContact CE1-CD1 4.29Å; F252-L261 HydrophobicContact CE2-CD1 3.68Å; F252-L261 HydrophobicContact CG-CD1 4.06Å; F252-L261 HydrophobicContact CZ-CD1 3.98Å; S258-L261 PolarHBondContact O-N 3.4Å; T259-L261 VanDerWaalsContact C-N 3.34Å; L261-V269 HydrophobicContact CD2-CG2 3.83Å; L261-N353 PolarHBondContact O-ND2 3.49Å
262	E	87.3	Confident	91.8	Very high	109 Å²	109	38.1 Å²	38.1	51%	0.509	26%	0.255	S	S	.	.	H	α-helix	trans	-91.1	-28.3	170.3	-65.3	168.8	-179.6	0	0	112	Q236 S258 T259 L260	Q236-E262 HydrophobicContact CB-CG 3.9Å; Q236-E262 HydrophobicContact CG-CG 3.93Å; S258-E262 PolarHBondContact O-N 3.06Å; T259-E262 PolarHBondContact O-N 3.43Å; L260-E262 VanDerWaalsContact C-N 3.34Å
263	S	87.1	Confident	92	Very high	48 Å²	48	38.8 Å²	38.8	34%	0.336	26%	0.26	S	S	.	.	S	Bend	trans	-63.8	143.5	-173.3	-73.1	0	0	0	0	111.9	T259 L260 G265 N353	T259-S263 VanDerWaalsContact O-CB 3.3Å; T259-S263 WeakPolarHBondContact O-CB 3.47Å; T259-S263 PolarHBondContact O-N 2.95Å; T259-S263 PolarHBondContact O-OG 3.14Å; L260-S263 PolarHBondContact O-N 2.83Å; S263-G265 PolarHBondContact O-N 2.8Å; S263-N353 PolarHBondContact O-ND2 3.11Å
264	P	86.3	Confident	92.2	Very high	124 Å²	124	37.7 Å²	37.7	81%	0.805	25%	0.245	S	C	*	.	S	Bend	trans	-62.3	137.8	172.7	27.4	-33.9	0	0	0	109.8
265	G	86.7	Confident	92.3	Very high	34 Å²	34	39.5 Å²	39.5	35%	0.351	24%	0.244	S	C	.	.	S	Bend	trans	168.6	-172.1	-177.2	0	0	0	0	0	112.5	S263 N353	S263-G265 PolarHBondContact O-N 2.8Å; G265-N353 CarbonylContact C-O 3.58Å; G265-N353 CarbonylContact O-C 3.34Å; G265-N353 WeakPolarHBondContact O-CA 3.25Å
266	Q	90.6	Very high	92.5	Very high	59 Å²	59	38.5 Å²	38.5	28%	0.276	24%	0.236	S	C	.	.			trans	-130.5	98.7	172.6	-72.8	-170.9	-3.3	0	0	108.4	H179 K305 Q306 L307	H179-Q266 PolarHBondContact NE2-OE1 3.45Å; Q266-K305 CarbonylContact O-C 3.56Å; Q266-K305 VanDerWaalsContact O-C 3.27Å; Q266-Q306 CarbonylContact O-C 3.53Å; Q266-Q306 VanDerWaalsContact O-CA 3.27Å; Q266-Q306 WeakPolarHBondContact O-CA 3.49Å; Q266-Q306 PolarHBondContact O-N 3.47Å; Q266-L307 HydrophobicContact CB-CB 4.07Å
267	Y	94.7	Very high	92.8	Very high	36 Å²	36	36 Å²	36	14%	0.141	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	159.4	179.8	-58.3	-79.2	0	0	0	111.4	M235 L260 I303 L304 K305 Q306 N353 G354 V355	M235-Y267 HydrophobicContact CE-CD2 3.85Å; M235-Y267 HydrophobicContact CE-CG 4.22Å; L260-Y267 HydrophobicContact CD1-CE1 4.12Å; L260-Y267 HydrophobicContact CD1-CE2 4.5Å; Y267-I303 HydrophobicContact CD1-CG2 4.14Å; Y267-L304 WeakPolarHBondContact CA-O 3.4Å; Y267-K305 HydrophobicContact CE1-CG 4.41Å; Y267-Q306 CarbonylContact C-O 3.37Å; Y267-N353 PolarHBondContact N-O 2.81Å; Y267-G354 CarbonylContact O-C 3.58Å; Y267-G354 WeakPolarHBondContact O-CA 3.32Å; Y267-V355 PolarHBondContact O-N 3.14Å
268	T	97	Very high	93.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	126	162	-58.5	0	0	0	0	107.9	F270 I303 L304 Q306 Q308 V355 H357	T268-F270 HydrophobicContact CG2-CE1 4.11Å; T268-F270 HydrophobicContact CG2-CE2 4.24Å; T268-F270 HydrophobicContact CG2-CZ 3.88Å; T268-I303 CarbonylContact O-C 3.41Å; T268-I303 WeakPolarHBondContact O-CA 3.38Å; T268-L304 HydrophobicContact CG2-CD1 4.31Å; T268-L304 PolarHBondContact N-O 2.92Å; T268-L304 VanDerWaalsContact N-O 3.08Å; T268-L304 PolarHBondContact O-N 3.41Å; T268-Q306 WeakPolarHBondContact CB-O 3.42Å; T268-Q306 PolarHBondContact N-O 2.85Å; T268-Q306 PolarHBondContact OG1-O 2.7Å; T268-Q308 HydrophobicContact CG2-CB 4.39Å; T268-Q308 WeakPolarHBondContact OG1-CB 3.44Å; T268-Q308 PolarHBondContact OG1-N 3.44Å; T268-V355 CarbonylContact C-O 3.11Å; T268-V355 VanDerWaalsContact CA-O 3.29Å; T268-V355 WeakPolarHBondContact CA-O 3.03Å; T268-V355 HydrophobicContact CG2-CG1 3.93Å; T268-H357 VanDerWaalsContact CG2-CD2 3.5Å; T268-H357 WeakPolarHBondContact CG2-CD2 3.5Å
269	V	97.6	Very high	93.6	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.012	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	122.2	175.6	-178.6	0	0	0	0	108.7	M235 F252 L261 A271 I303 V355 I356 H357	M235-V269 HydrophobicContact CE-CG2 4.49Å; M235-V269 HydrophobicContact SD-CG2 3.78Å; F252-V269 HydrophobicContact CZ-CG1 4.39Å; L261-V269 HydrophobicContact CD2-CG2 3.83Å; V269-A271 HydrophobicContact CG1-CB 4.43Å; V269-A271 PolarHBondContact O-N 3.1Å; V269-I303 HydrophobicContact CG2-CG1 4.31Å; V269-I303 HydrophobicContact CG2-CG2 4.48Å; V269-V355 PolarHBondContact N-O 3.29Å; V269-I356 HydrophobicContact CB-CG1 4.24Å; V269-I356 CarbonylContact O-C 3.32Å; V269-I356 WeakPolarHBondContact O-CA 3.49Å; V269-H357 PolarHBondContact O-N 3.01Å
270	F	98.4	Very high	94	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	94.1	166.8	-61.8	-65.7	0	0	0	108	T268 P272 H302 L304 L327 V329 M336 L338 H357 I359 L363	T268-F270 HydrophobicContact CG2-CE1 4.11Å; T268-F270 HydrophobicContact CG2-CE2 4.24Å; T268-F270 HydrophobicContact CG2-CZ 3.88Å; F270-P272 WeakPolarHBondContact O-CD 3.49Å; F270-H302 HydrophobicContact CB-CB 4.49Å; F270-H302 PolarHBondContact N-O 3.38Å; F270-H302 WeakPolarHBondContact O-CB 3.18Å; F270-H302 PolarHBondContact O-CD2 2.88Å; F270-L304 HydrophobicContact CE2-CD1 3.69Å; F270-L304 HydrophobicContact CE2-CD2 4.26Å; F270-L304 HydrophobicContact CE2-CG 3.81Å; F270-L304 HydrophobicContact CZ-CD1 3.97Å; F270-L327 HydrophobicContact CD2-CD2 3.75Å; F270-L327 HydrophobicContact CE2-CD2 3.51Å; F270-L327 HydrophobicContact CZ-CD2 4.4Å; F270-V329 HydrophobicContact CE2-CG2 4.44Å; F270-V329 HydrophobicContact CZ-CG2 4.18Å; F270-M336 HydrophobicContact CE1-CE 3.43Å; F270-M336 VanDerWaalsContact CE1-CE 3.43Å; F270-M336 HydrophobicContact CZ-CE 3.8Å; F270-L338 HydrophobicContact CB-CD1 4.31Å; F270-L338 HydrophobicContact CD1-CD1 3.66Å; F270-L338 HydrophobicContact CD1-CD2 4.15Å; F270-L338 HydrophobicContact CD2-CD1 4.43Å; F270-L338 HydrophobicContact CE1-CD1 4.1Å; F270-L338 HydrophobicContact CE1-CD2 3.73Å; F270-L338 HydrophobicContact CE2-CD2 4.22Å; F270-L338 HydrophobicContact CG-CD1 3.87Å; F270-L338 HydrophobicContact CZ-CD2 3.74Å; F270-H357 CarbonylContact C-O 3.59Å; F270-H357 VanDerWaalsContact CA-O 3.29Å; F270-H357 WeakPolarHBondContact CA-O 3.26Å; F270-H357 HydrophobicContact CD1-CB 3.92Å; F270-H357 HydrophobicContact CE1-CB 4.18Å; F270-H357 AromaticContact CE1-CD2 3.71Å; F270-I359 HydrophobicContact CB-CD1 4.09Å; F270-I359 HydrophobicContact CB-CG2 4.04Å; F270-I359 HydrophobicContact CD1-CG2 4.35Å; F270-L363 HydrophobicContact CB-CD1 4.37Å
271	A	98.1	Very high	94.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	108.3	-172.2	0	0	0	0	0	111.2	L245 L248 V269 T273 I356 H357 Y358 I359	L245-A271 HydrophobicContact CD1-CB 4.14Å; L245-A271 HydrophobicContact CD2-CB 3.91Å; L248-A271 HydrophobicContact CD2-CB 3.55Å; V269-A271 HydrophobicContact CG1-CB 4.43Å; V269-A271 PolarHBondContact O-N 3.1Å; A271-T273 PolarHBondContact O-N 3.28Å; A271-I356 HydrophobicContact CB-CG2 3.47Å; A271-I356 VanDerWaalsContact CB-CG2 3.47Å; A271-H357 PolarHBondContact N-O 2.89Å; A271-Y358 CarbonylContact O-C 3.55Å; A271-Y358 WeakPolarHBondContact O-CA 3.41Å; A271-I359 PolarHBondContact O-N 3.28Å
272	P	98.4	Very high	95	Very high	1 Å²	1	51 Å²	51	1%	0.006	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	129.9	172.9	27.9	-35.4	0	0	0	110.6	L248 F270 A276 F277 I359 L362	L248-P272 HydrophobicContact CD1-CG 3.94Å; L248-P272 HydrophobicContact CD2-CG 4.5Å; F270-P272 WeakPolarHBondContact O-CD 3.49Å; P272-A276 HydrophobicContact CB-CB 3.84Å; P272-F277 HydrophobicContact CB-CD2 4.31Å; P272-F277 HydrophobicContact CB-CE2 3.87Å; P272-F277 HydrophobicContact CB-CZ 4.39Å; P272-F277 HydrophobicContact CG-CD2 4.44Å; P272-F277 HydrophobicContact CG-CE2 3.54Å; P272-F277 HydrophobicContact CG-CZ 3.74Å; P272-I359 HydrophobicContact CB-CD1 4.31Å; P272-I359 HydrophobicContact CB-CG1 4.03Å; P272-L362 HydrophobicContact CB-CD1 3.79Å; P272-L362 HydrophobicContact CG-CD1 3.7Å
273	T	98.4	Very high	95.3	Very high	16 Å²	16	53 Å²	53	10%	0.098	30%	0.298	C	S	.	.			trans	-72.5	165.5	174.1	63	0	0	0	0	111.6	D244 A271 D275 A276 F277 Y358 I359	D244-T273 HydrophobicContact CB-CG2 4.49Å; D244-T273 CarbonylContact O-C 3.48Å; D244-T273 VanDerWaalsContact O-CA 3.31Å; D244-T273 WeakPolarHBondContact O-CA 3.27Å; A271-T273 PolarHBondContact O-N 3.28Å; T273-D275 PolarHBondContact O-N 3.25Å; T273-A276 WeakPolarHBondContact O-CA 3.35Å; T273-A276 WeakPolarHBondContact O-CB 3.42Å; T273-A276 PolarHBondContact O-N 2.82Å; T273-A276 PolarHBondContact OG1-N 3.39Å; T273-F277 WeakPolarHBondContact O-CD2 3.45Å; T273-F277 PolarHBondContact O-N 2.84Å; T273-Y358 HydrophobicContact CG2-CD1 4.06Å; T273-I359 PolarHBondContact N-O 2.85Å; T273-I359 VanDerWaalsContact N-O 3.14Å
274	N	98.2	Very high	95.7	Very high	40 Å²	40	51.7 Å²	51.7	21%	0.214	29%	0.288	C	S	.	.	H	α-helix	trans	-51.3	-41.2	172.9	-67.3	-30.3	0	0	0	112	D243 D244 E246 T247 A276 F277 A278	D243-N274 PolarHBondContact O-ND2 3.29Å; D244-N274 PolarHBondContact O-N 2.99Å; D244-N274 PolarHBondContact O-ND2 2.69Å; E246-N274 PolarHBondContact N-OD1 2.93Å; T247-N274 WeakPolarHBondContact CB-OD1 3.07Å; T247-N274 PolarHBondContact N-OD1 2.82Å; T247-N274 PolarHBondContact OG1-OD1 2.88Å; N274-A276 VanDerWaalsContact C-N 3.29Å; N274-A276 PolarHBondContact O-N 2.99Å; N274-F277 PolarHBondContact O-N 3.36Å; N274-A278 PolarHBondContact O-N 3.06Å
275	D	97.9	Very high	96.1	Very high	115 Å²	115	47 Å²	47	62%	0.615	26%	0.256	S	S	*	.	H	α-helix	trans	-62.1	-33.1	174.5	-74.2	-11.3	0	0	0	113.3	T273 A278 K279	T273-D275 PolarHBondContact O-N 3.25Å; D275-A278 PolarHBondContact O-N 2.91Å; D275-K279 WeakPolarHBondContact O-CG 3.41Å; D275-K279 PolarHBondContact O-N 3.39Å
276	A	98.1	Very high	96.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-66.7	-38.7	176.3	0	0	0	0	0	111.4	P272 T273 N274	P272-A276 HydrophobicContact CB-CB 3.84Å; T273-A276 WeakPolarHBondContact O-CA 3.35Å; T273-A276 WeakPolarHBondContact O-CB 3.42Å; T273-A276 PolarHBondContact O-N 2.82Å; T273-A276 PolarHBondContact OG1-N 3.39Å; N274-A276 VanDerWaalsContact C-N 3.29Å; N274-A276 PolarHBondContact O-N 2.99Å
277	F	98	Very high	96.8	Very high	4 Å²	4	50.7 Å²	50.7	2%	0.018	26%	0.264	C	S	.	.	H	α-helix	trans	-68.8	-41.8	172.8	-74.3	-83.9	0	0	0	112	T247 L248 P272 T273 N274 K279 I280 L285 L362	T247-F277 HydrophobicContact CG2-CB 3.93Å; T247-F277 HydrophobicContact CG2-CD1 3.8Å; T247-F277 HydrophobicContact CG2-CD2 3.63Å; T247-F277 HydrophobicContact CG2-CE1 4.16Å; T247-F277 HydrophobicContact CG2-CE2 4Å; T247-F277 HydrophobicContact CG2-CG 3.51Å; T247-F277 HydrophobicContact CG2-CZ 4.25Å; L248-F277 HydrophobicContact CB-CE2 4.05Å; L248-F277 HydrophobicContact CB-CZ 4.47Å; L248-F277 HydrophobicContact CD1-CZ 4.38Å; P272-F277 HydrophobicContact CB-CD2 4.31Å; P272-F277 HydrophobicContact CB-CE2 3.87Å; P272-F277 HydrophobicContact CB-CZ 4.39Å; P272-F277 HydrophobicContact CG-CD2 4.44Å; P272-F277 HydrophobicContact CG-CE2 3.54Å; P272-F277 HydrophobicContact CG-CZ 3.74Å; T273-F277 WeakPolarHBondContact O-CD2 3.45Å; T273-F277 PolarHBondContact O-N 2.84Å; N274-F277 PolarHBondContact O-N 3.36Å; F277-K279 PolarHBondContact O-N 2.92Å; F277-I280 WeakPolarHBondContact O-CB 3.12Å; F277-I280 PolarHBondContact O-N 3.02Å; F277-L285 HydrophobicContact CB-CD2 4.45Å; F277-L285 HydrophobicContact CD1-CD1 3.82Å; F277-L285 HydrophobicContact CE1-CD1 4.47Å; F277-L362 HydrophobicContact CD1-CD1 4.29Å; F277-L362 HydrophobicContact CD1-CD2 4.25Å; F277-L362 HydrophobicContact CE1-CD1 3.85Å; F277-L362 HydrophobicContact CE1-CD2 4.28Å; F277-L362 HydrophobicContact CZ-CD1 4.01Å
278	A	97.1	Very high	96.9	Very high	82 Å²	82	49 Å²	49	68%	0.678	26%	0.258	S	S	*	.	H	α-helix	trans	-63	-22.9	-179.3	0	0	0	0	0	113.9	N274 D275 I280	N274-A278 PolarHBondContact O-N 3.06Å; D275-A278 PolarHBondContact O-N 2.91Å; A278-I280 VanDerWaalsContact C-N 3.27Å; A278-I280 PolarHBondContact O-N 2.85Å
279	K	97.4	Very high	96.9	Very high	125 Å²	125	51.9 Å²	51.9	54%	0.543	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-15.8	174.5	-73.9	169	-170	173.5	0	113.8	D275 F277 S360	D275-K279 WeakPolarHBondContact O-CG 3.41Å; D275-K279 PolarHBondContact O-N 3.39Å; F277-K279 PolarHBondContact O-N 2.92Å; K279-S360 PolarHBondContact NZ-O 2.73Å
280	I	96.6	Very high	96.8	Very high	30 Å²	30	54.8 Å²	54.8	15%	0.154	30%	0.304	C	S	.	.	S	Bend	trans	-84.8	134.3	-178.4	-54.3	-53.4	0	0	0	109.4	F277 A278 Q282 T284 L285 L362 I364	F277-I280 WeakPolarHBondContact O-CB 3.12Å; F277-I280 PolarHBondContact O-N 3.02Å; A278-I280 VanDerWaalsContact C-N 3.27Å; A278-I280 PolarHBondContact O-N 2.85Å; I280-Q282 PolarHBondContact O-N 2.85Å; I280-T284 HydrophobicContact CG2-CG2 3.85Å; I280-L285 HydrophobicContact CB-CB 4.33Å; I280-L285 HydrophobicContact CG2-CB 3.98Å; I280-L362 HydrophobicContact CD1-CB 4.06Å; I280-L362 HydrophobicContact CD1-CD2 4.49Å; I280-L362 HydrophobicContact CG1-CB 4.08Å; I280-L362 HydrophobicContact CG1-CD2 3.9Å; I280-I364 HydrophobicContact CD1-CD1 4.03Å; I280-I364 HydrophobicContact CG2-CD1 4.35Å
281	P	95.9	Very high	96.7	Very high	86 Å²	86	56 Å²	56	56%	0.558	31%	0.31	S	S	*	.			trans	-51.1	132.5	172.8	-27	35	0	0	0	111.2	E283 T284 L285	P281-E283 PolarHBondContact O-N 2.94Å; P281-E283 VanDerWaalsContact O-N 3.15Å; P281-T284 PolarHBondContact O-N 3.31Å; P281-L285 PolarHBondContact O-N 3.22Å
282	Q	94.8	Very high	96.6	Very high	160 Å²	160	60.6 Å²	60.6	75%	0.748	34%	0.34	S	S	*	.	H	α-helix	trans	-56.9	-35.7	-173.5	-73.1	-171	-14.9	0	0	112.9	I280 L285 N286	I280-Q282 PolarHBondContact O-N 2.85Å; Q282-L285 PolarHBondContact O-N 2.93Å; Q282-N286 VanDerWaalsContact O-CB 3.25Å; Q282-N286 WeakPolarHBondContact O-CB 3.44Å; Q282-N286 PolarHBondContact O-N 3.48Å; Q282-N286 PolarHBondContact O-ND2 2.84Å
283	E	94.1	Very high	96.5	Very high	152 Å²	152	64.1 Å²	64.1	71%	0.71	36%	0.361	S	S	*	.	H	α-helix	trans	-60.9	-50.4	176.1	-173.4	-178.9	170.6	0	0	111.8	P281 R287	P281-E283 PolarHBondContact O-N 2.94Å; P281-E283 VanDerWaalsContact O-N 3.15Å; E283-R287 VanDerWaalsContact O-CB 3.29Å; E283-R287 WeakPolarHBondContact O-CB 3.21Å; E283-R287 PolarHBondContact O-N 3.48Å
284	T	95	Very high	96.5	Very high	20 Å²	20	63.4 Å²	63.4	12%	0.123	36%	0.357	C	S	.	.	H	α-helix	trans	-61.2	-45.7	176.4	-62.9	0	0	0	0	111.2	I280 P281 R287 I288 E373	I280-T284 HydrophobicContact CG2-CG2 3.85Å; P281-T284 PolarHBondContact O-N 3.31Å; T284-R287 PolarHBondContact O-N 3.39Å; T284-I288 HydrophobicContact CG2-CD1 3.83Å; T284-I288 WeakPolarHBondContact O-CG1 3.31Å; T284-I288 PolarHBondContact O-N 3.34Å; T284-E373 WeakPolarHBondContact CG2-OE1 3.34Å; T284-E373 PolarHBondContact OG1-OE1 3.41Å
285	L	96	Very high	96.5	Very high	24 Å²	24	61.7 Å²	61.7	13%	0.126	35%	0.348	C	S	.	.	H	α-helix	trans	-63.9	-50.8	-178.6	-177.5	60	0	0	0	111.6	F277 I280 P281 Q282 R287 I288 L289	F277-L285 HydrophobicContact CB-CD2 4.45Å; F277-L285 HydrophobicContact CD1-CD1 3.82Å; F277-L285 HydrophobicContact CE1-CD1 4.47Å; I280-L285 HydrophobicContact CB-CB 4.33Å; I280-L285 HydrophobicContact CG2-CB 3.98Å; P281-L285 PolarHBondContact O-N 3.22Å; Q282-L285 PolarHBondContact O-N 2.93Å; L285-R287 VanDerWaalsContact C-N 3.27Å; L285-R287 PolarHBondContact O-N 2.99Å; L285-I288 PolarHBondContact O-N 3.33Å; L285-L289 HydrophobicContact CD1-CD1 3.89Å; L285-L289 HydrophobicContact CD1-CD2 4.29Å; L285-L289 HydrophobicContact CD1-CG 3.87Å; L285-L289 HydrophobicContact CG-CD1 3.9Å; L285-L289 HydrophobicContact CG-CG 4.22Å; L285-L289 WeakPolarHBondContact O-CB 3.09Å; L285-L289 WeakPolarHBondContact O-CG 3.4Å; L285-L289 PolarHBondContact O-N 3.14Å
286	N	95.7	Very high	96.5	Very high	104 Å²	104	61.1 Å²	61.1	56%	0.556	34%	0.34	S	S	*	.	H	α-helix	trans	-59.9	-38.8	179.2	-70.6	-20	0	0	0	111.8	Q282 G290	Q282-N286 VanDerWaalsContact O-CB 3.25Å; Q282-N286 WeakPolarHBondContact O-CB 3.44Å; Q282-N286 PolarHBondContact O-N 3.48Å; Q282-N286 PolarHBondContact O-ND2 2.84Å; N286-G290 PolarHBondContact O-N 2.88Å
287	R	96.1	Very high	96.5	Very high	67 Å²	67	62.8 Å²	62.8	25%	0.253	35%	0.349	S	S	.	.	H	α-helix	trans	-63	-45.6	176.2	-173.9	-170	69.2	-134.6	-3.9	111.9	E283 T284 L285 D291 T370 E373	E283-R287 VanDerWaalsContact O-CB 3.29Å; E283-R287 WeakPolarHBondContact O-CB 3.21Å; E283-R287 PolarHBondContact O-N 3.48Å; T284-R287 PolarHBondContact O-N 3.39Å; L285-R287 VanDerWaalsContact C-N 3.27Å; L285-R287 PolarHBondContact O-N 2.99Å; R287-D291 PolarHBondContact O-N 3.09Å; R287-T370 VanDerWaalsContact CZ-CG2 3.44Å; R287-E373 IonicContact CZ-OE1 3.51Å; R287-E373 VanDerWaalsContact CZ-OE1 3.3Å; R287-E373 IonicContact CZ-OE2 2.93Å; R287-E373 IonicContact NH1-OE1 2.9Å; R287-E373 PolarHBondContact NH1-OE1 2.87Å; R287-E373 IonicContact NH1-OE2 3.74Å; R287-E373 IonicContact NH2-OE1 3.72Å; R287-E373 PolarHBondContact NH2-OE1 2.79Å; R287-E373 IonicContact NH2-OE2 3.55Å; R287-E373 PolarHBondContact NH2-OE2 2.88Å
288	I	96.9	Very high	96.5	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.005	35%	0.348	C	S	.	.	H	α-helix	trans	-68.4	-46.9	180	-66	167.1	0	0	0	110.6	T284 L285 G290 D291 A294 L295 L298 I364	T284-I288 HydrophobicContact CG2-CD1 3.83Å; T284-I288 WeakPolarHBondContact O-CG1 3.31Å; T284-I288 PolarHBondContact O-N 3.34Å; L285-I288 PolarHBondContact O-N 3.33Å; I288-G290 VanDerWaalsContact C-N 3.27Å; I288-G290 PolarHBondContact O-N 3Å; I288-D291 PolarHBondContact O-N 2.79Å; I288-A294 HydrophobicContact CG2-CB 4.2Å; I288-L295 PolarHBondContact O-N 3.24Å; I288-L298 HydrophobicContact CG2-CB 4.18Å; I288-L298 HydrophobicContact CG2-CD2 3.78Å; I288-L298 HydrophobicContact CG2-CG 4.49Å; I288-I364 HydrophobicContact CD1-CD1 4.15Å; I288-I364 HydrophobicContact CD1-CG2 4.01Å
289	L	95.3	Very high	96.5	Very high	61 Å²	61	58.8 Å²	58.8	32%	0.319	32%	0.316	S	S	.	.	H	α-helix	trans	-65.2	-31.4	179.6	-63.8	-176	0	0	0	112.4	A251 L285 L295	A251-L289 HydrophobicContact CB-CD2 4.45Å; L285-L289 HydrophobicContact CD1-CD1 3.89Å; L285-L289 HydrophobicContact CD1-CD2 4.29Å; L285-L289 HydrophobicContact CD1-CG 3.87Å; L285-L289 HydrophobicContact CG-CD1 3.9Å; L285-L289 HydrophobicContact CG-CG 4.22Å; L285-L289 WeakPolarHBondContact O-CB 3.09Å; L285-L289 WeakPolarHBondContact O-CG 3.4Å; L285-L289 PolarHBondContact O-N 3.14Å; L289-L295 HydrophobicContact CD2-CD1 3.66Å
290	G	95.7	Very high	96.5	Very high	63 Å²	63	53.9 Å²	53.9	65%	0.649	30%	0.296	S	S	*	.	H	α-helix	trans	-79.8	-13.8	178	0	0	0	0	0	115.1	N286 I288	N286-G290 PolarHBondContact O-N 2.88Å; I288-G290 VanDerWaalsContact C-N 3.27Å; I288-G290 PolarHBondContact O-N 3Å
291	D	96.9	Very high	96.6	Very high	24 Å²	24	53.4 Å²	53.4	13%	0.128	29%	0.292	C	S	.	.			trans	-104.7	109.6	176.9	-177.8	-23.1	0	0	0	110.2	R287 I288 V293 A294 L295 R478	R287-D291 PolarHBondContact O-N 3.09Å; I288-D291 PolarHBondContact O-N 2.79Å; D291-V293 PolarHBondContact O-N 2.58Å; D291-V293 VanDerWaalsContact O-N 3.1Å; D291-V293 WeakPolarHBondContact OD1-CB 3.46Å; D291-V293 PolarHBondContact OD1-N 3.46Å; D291-A294 HydrophobicContact CB-CB 3.89Å; D291-A294 PolarHBondContact O-N 3.25Å; D291-A294 VanDerWaalsContact O-N 3.12Å; D291-A294 PolarHBondContact OD1-N 3.03Å; D291-L295 WeakPolarHBondContact O-CB 3.31Å; D291-L295 PolarHBondContact O-N 3.13Å; D291-R478 IonicContact OD1-CZ 3.32Å; D291-R478 IonicContact OD1-NE 3.67Å; D291-R478 IonicContact OD1-NH2 2.92Å; D291-R478 PolarHBondContact OD1-NH2 3.31Å; D291-R478 IonicContact OD2-CZ 2.73Å; D291-R478 IonicContact OD2-NE 2.73Å; D291-R478 PolarHBondContact OD2-NE 3.06Å; D291-R478 IonicContact OD2-NH2 3.73Å; D291-R478 PolarHBondContact OD2-NH2 2.94Å
292	P	96.6	Very high	96.7	Very high	98 Å²	98	49.4 Å²	49.4	64%	0.636	27%	0.266	S	S	*	.	H	α-helix	trans	-57.7	-29.7	-176.8	-26.1	34.6	0	0	0	114.5	K296	P292-K296 VanDerWaalsContact O-CB 3.22Å; P292-K296 WeakPolarHBondContact O-CB 3.42Å; P292-K296 PolarHBondContact O-N 3.46Å; P292-K296 VanDerWaalsContact O-N 3.16Å
293	V	96.8	Very high	96.9	Very high	74 Å²	74	41.8 Å²	41.8	45%	0.448	23%	0.231	S	C	.	.	H	α-helix	trans	-74.9	-48	178.4	-178.9	0	0	0	0	109.7	D291 K296 D297	D291-V293 PolarHBondContact O-N 2.58Å; D291-V293 VanDerWaalsContact O-N 3.1Å; D291-V293 WeakPolarHBondContact OD1-CB 3.46Å; D291-V293 PolarHBondContact OD1-N 3.46Å; V293-K296 PolarHBondContact O-N 3.13Å; V293-D297 WeakPolarHBondContact O-CB 3.43Å; V293-D297 PolarHBondContact O-N 3.11Å
294	A	97.8	Very high	97	Very high	2 Å²	2	34.6 Å²	34.6	2%	0.017	20%	0.197	C	C	.	.	H	α-helix	trans	-65.1	-41.4	179.4	0	0	0	0	0	111.8	I288 D291 D297 L298 A368 R478	I288-A294 HydrophobicContact CG2-CB 4.2Å; D291-A294 HydrophobicContact CB-CB 3.89Å; D291-A294 PolarHBondContact O-N 3.25Å; D291-A294 VanDerWaalsContact O-N 3.12Å; D291-A294 PolarHBondContact OD1-N 3.03Å; A294-D297 PolarHBondContact O-N 2.78Å; A294-L298 VanDerWaalsContact O-CB 3.25Å; A294-L298 WeakPolarHBondContact O-CB 3.39Å; A294-L298 PolarHBondContact O-N 3.48Å; A294-A368 HydrophobicContact CB-CB 4.18Å; A294-R478 HydrophobicContact CB-CG 4.47Å
295	L	98	Very high	96.9	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.021	23%	0.225	C	C	.	.	H	α-helix	trans	-60.7	-46.5	175.3	176.5	59.2	0	0	0	111.7	A251 A254 A255 I288 L289 D291 L298 L299	A251-L295 HydrophobicContact CB-CD1 4.1Å; A254-L295 HydrophobicContact CB-CD2 3.9Å; A255-L295 HydrophobicContact CB-CD2 4.05Å; A255-L295 HydrophobicContact CB-CG 4.03Å; I288-L295 PolarHBondContact O-N 3.24Å; L289-L295 HydrophobicContact CD2-CD1 3.66Å; D291-L295 WeakPolarHBondContact O-CB 3.31Å; D291-L295 PolarHBondContact O-N 3.13Å; L295-L298 WeakPolarHBondContact O-CB 3.43Å; L295-L298 PolarHBondContact O-N 3.47Å; L295-L299 HydrophobicContact CD1-CD1 3.94Å; L295-L299 HydrophobicContact CD1-CG 4.18Å; L295-L299 HydrophobicContact CG-CD1 4.2Å; L295-L299 WeakPolarHBondContact O-CG 3.47Å; L295-L299 PolarHBondContact O-N 2.63Å
296	K	97.5	Very high	96.7	Very high	102 Å²	102	44.3 Å²	44.3	44%	0.443	24%	0.238	S	C	.	.	H	α-helix	trans	-65.4	-41.9	179.3	-175.2	170.5	-176.6	172.8	0	111.7	P292 V293 L299 N300	P292-K296 VanDerWaalsContact O-CB 3.22Å; P292-K296 WeakPolarHBondContact O-CB 3.42Å; P292-K296 PolarHBondContact O-N 3.46Å; P292-K296 VanDerWaalsContact O-N 3.16Å; V293-K296 PolarHBondContact O-N 3.13Å; K296-L299 PolarHBondContact O-N 3.3Å; K296-N300 VanDerWaalsContact O-CB 3.27Å; K296-N300 WeakPolarHBondContact O-CB 3.37Å; K296-N300 VanDerWaalsContact O-CG 3.29Å; K296-N300 PolarHBondContact O-N 3.23Å; K296-N300 PolarHBondContact O-ND2 3.02Å
297	D	98	Very high	96.6	Very high	36 Å²	36	39.7 Å²	39.7	19%	0.193	21%	0.213	C	C	.	.	H	α-helix	trans	-63	-44.4	175	-80.7	1	0	0	0	111.7	V293 A294 L299 N300 Y301 Q323 P365 S367	V293-D297 WeakPolarHBondContact O-CB 3.43Å; V293-D297 PolarHBondContact O-N 3.11Å; A294-D297 PolarHBondContact O-N 2.78Å; D297-L299 PolarHBondContact O-N 3.29Å; D297-N300 PolarHBondContact O-N 2.98Å; D297-Y301 WeakPolarHBondContact O-CB 3.26Å; D297-Y301 PolarHBondContact O-N 3.44Å; D297-Q323 HydrophobicContact CB-CG 4Å; D297-Q323 WeakPolarHBondContact O-CG 3.4Å; D297-P365 HydrophobicContact CB-CG 4.41Å; D297-S367 WeakPolarHBondContact CB-OG 3.47Å; D297-S367 VanDerWaalsContact OD2-CB 3.26Å; D297-S367 WeakPolarHBondContact OD2-CB 3.24Å; D297-S367 PolarHBondContact OD2-OG 3.26Å
298	L	98.2	Very high	96.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-53.9	-54.4	174.9	174.4	71.8	0	0	0	110.7	I288 A294 L295 Y301 H302 L362 L363 I364	I288-L298 HydrophobicContact CG2-CB 4.18Å; I288-L298 HydrophobicContact CG2-CD2 3.78Å; I288-L298 HydrophobicContact CG2-CG 4.49Å; A294-L298 VanDerWaalsContact O-CB 3.25Å; A294-L298 WeakPolarHBondContact O-CB 3.39Å; A294-L298 PolarHBondContact O-N 3.48Å; L295-L298 WeakPolarHBondContact O-CB 3.43Å; L295-L298 PolarHBondContact O-N 3.47Å; L298-Y301 PolarHBondContact O-N 3.01Å; L298-H302 PolarHBondContact O-ND1 3.19Å; L298-L362 HydrophobicContact CD1-CD1 4.2Å; L298-L362 HydrophobicContact CD1-CD2 3.99Å; L298-L362 HydrophobicContact CD1-CG 3.93Å; L298-L362 HydrophobicContact CD2-CD1 4.38Å; L298-L362 HydrophobicContact CD2-CD2 4.05Å; L298-L363 WeakPolarHBondContact CD1-O 3.37Å; L298-I364 HydrophobicContact CD1-CB 4.41Å; L298-I364 HydrophobicContact CD1-CG1 4.08Å
299	L	97.9	Very high	96.6	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-67.7	-41.6	-176.5	-66.4	173	0	0	0	111.9	L248 A251 F252 A255 L257 L295 K296 D297 Y301 H302 I303	L248-L299 HydrophobicContact CD1-CD2 3.78Å; A251-L299 HydrophobicContact CB-CD1 4.27Å; A251-L299 HydrophobicContact CB-CD2 4.15Å; A251-L299 WeakPolarHBondContact O-CD1 3.44Å; F252-L299 HydrophobicContact CD1-CB 4.48Å; F252-L299 HydrophobicContact CD1-CD1 3.91Å; F252-L299 HydrophobicContact CD1-CD2 4.33Å; F252-L299 HydrophobicContact CD1-CG 4.48Å; F252-L299 HydrophobicContact CE1-CB 4.09Å; F252-L299 HydrophobicContact CE1-CD1 4.32Å; F252-L299 HydrophobicContact CE1-CD2 4.17Å; F252-L299 HydrophobicContact CE1-CG 4.43Å; F252-L299 HydrophobicContact CZ-CD2 4.41Å; A255-L299 HydrophobicContact CB-CD1 3.46Å; A255-L299 VanDerWaalsContact CB-CD1 3.46Å; L257-L299 HydrophobicContact CD1-CB 3.64Å; L257-L299 HydrophobicContact CD1-CD1 3.94Å; L257-L299 HydrophobicContact CD1-CG 4.48Å; L295-L299 HydrophobicContact CD1-CD1 3.94Å; L295-L299 HydrophobicContact CD1-CG 4.18Å; L295-L299 HydrophobicContact CG-CD1 4.2Å; L295-L299 WeakPolarHBondContact O-CG 3.47Å; L295-L299 PolarHBondContact O-N 2.63Å; K296-L299 PolarHBondContact O-N 3.3Å; D297-L299 PolarHBondContact O-N 3.29Å; L299-Y301 PolarHBondContact O-N 3.07Å; L299-H302 WeakPolarHBondContact O-CB 3.44Å; L299-H302 PolarHBondContact O-N 3.23Å; L299-I303 WeakPolarHBondContact O-CG1 3.41Å
300	N	97.8	Very high	96.6	Very high	21 Å²	21	35.2 Å²	35.2	11%	0.112	20%	0.195	C	C	.	.	H	α-helix	trans	-63.4	-28.2	176.5	-78.7	-30.4	0	0	0	113	K296 D297 H302 I303 L322 Q323	K296-N300 VanDerWaalsContact O-CB 3.27Å; K296-N300 WeakPolarHBondContact O-CB 3.37Å; K296-N300 VanDerWaalsContact O-CG 3.29Å; K296-N300 PolarHBondContact O-N 3.23Å; K296-N300 PolarHBondContact O-ND2 3.02Å; D297-N300 PolarHBondContact O-N 2.98Å; N300-H302 PolarHBondContact O-N 2.9Å; N300-I303 PolarHBondContact O-N 3.47Å; N300-L322 HydrophobicContact CB-CB 3.97Å; N300-L322 PolarHBondContact O-N 3.05Å; N300-Q323 HydrophobicContact CB-CB 3.81Å; N300-Q323 PolarHBondContact O-N 3.47Å
301	Y	98.4	Very high	96.4	Very high	21 Å²	21	33.4 Å²	33.4	8%	0.082	17%	0.17	C	C	.	.	H	α-helix	trans	-70	-20	175.8	-167.3	-116	0	0	0	112.7	D297 L298 L299 I303 T321 Q323 A325 A326 L327 L363 P365	D297-Y301 WeakPolarHBondContact O-CB 3.26Å; D297-Y301 PolarHBondContact O-N 3.44Å; L298-Y301 PolarHBondContact O-N 3.01Å; L299-Y301 PolarHBondContact O-N 3.07Å; Y301-I303 VanDerWaalsContact C-N 3.32Å; Y301-T321 HydrophobicContact CD2-CG2 3.75Å; Y301-T321 WeakPolarHBondContact CD2-OG1 3.43Å; Y301-T321 HydrophobicContact CE2-CG2 3.89Å; Y301-T321 HydrophobicContact CG-CG2 4.45Å; Y301-T321 VanDerWaalsContact O-CG2 3.27Å; Y301-T321 WeakPolarHBondContact O-CG2 3.44Å; Y301-Q323 HydrophobicContact CD2-CB 4.36Å; Y301-A325 HydrophobicContact CD2-CB 4.09Å; Y301-A325 HydrophobicContact CE2-CB 3.67Å; Y301-A326 PolarHBondContact OH-O 3.21Å; Y301-L327 HydrophobicContact CE1-CD1 4.34Å; Y301-L363 HydrophobicContact CD1-CB 3.72Å; Y301-L363 WeakPolarHBondContact CD1-O 3.25Å; Y301-L363 HydrophobicContact CE1-CB 3.91Å; Y301-P365 HydrophobicContact CD1-CB 4.04Å; Y301-P365 HydrophobicContact CD1-CG 4.49Å; Y301-P365 HydrophobicContact CD2-CB 4.05Å; Y301-P365 HydrophobicContact CG-CB 3.77Å; Y301-P365 HydrophobicContact CG-CG 4.21Å
302	H	98.3	Very high	96.2	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.009	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-1.6	174	-68.4	80.6	0	0	0	113.4	F270 L298 L299 N300 L363	F270-H302 HydrophobicContact CB-CB 4.49Å; F270-H302 PolarHBondContact N-O 3.38Å; F270-H302 WeakPolarHBondContact O-CB 3.18Å; F270-H302 PolarHBondContact O-CD2 2.88Å; L298-H302 PolarHBondContact O-ND1 3.19Å; L299-H302 WeakPolarHBondContact O-CB 3.44Å; L299-H302 PolarHBondContact O-N 3.23Å; N300-H302 PolarHBondContact O-N 2.9Å; H302-L363 PolarHBondContact CE1-N 2.91Å; H302-L363 PolarHBondContact CE1-O 2.86Å; H302-L363 WeakPolarHBondContact NE2-CB 3.33Å; H302-L363 PolarHBondContact NE2-N 2.73Å
303	I	97.5	Very high	96	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	131.7	-172.3	-52.7	172.1	0	0	0	110.9	F252 L260 Y267 T268 V269 L299 N300 Y301 T321 L322	F252-I303 HydrophobicContact CE1-CD1 4.02Å; F252-I303 HydrophobicContact CZ-CD1 4.3Å; L260-I303 HydrophobicContact CD2-CD1 3.73Å; Y267-I303 HydrophobicContact CD1-CG2 4.14Å; T268-I303 CarbonylContact O-C 3.41Å; T268-I303 WeakPolarHBondContact O-CA 3.38Å; V269-I303 HydrophobicContact CG2-CG1 4.31Å; V269-I303 HydrophobicContact CG2-CG2 4.48Å; L299-I303 WeakPolarHBondContact O-CG1 3.41Å; N300-I303 PolarHBondContact O-N 3.47Å; Y301-I303 VanDerWaalsContact C-N 3.32Å; I303-T321 CarbonylContact O-C 3.32Å; I303-T321 WeakPolarHBondContact O-CA 3.13Å; I303-L322 HydrophobicContact CB-CB 4.43Å; I303-L322 HydrophobicContact CB-CD1 3.79Å; I303-L322 HydrophobicContact CB-CG 4Å; I303-L322 HydrophobicContact CD1-CD1 4.33Å; I303-L322 HydrophobicContact CG2-CD1 3.42Å; I303-L322 VanDerWaalsContact CG2-CD1 3.42Å; I303-L322 HydrophobicContact CG2-CG 3.85Å; I303-L322 PolarHBondContact O-N 3Å
304	L	96.6	Very high	95.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	145.4	169.7	-48.1	179.1	0	0	0	110.3	Y267 T268 F270 Q306 V319 T321 V329	Y267-L304 WeakPolarHBondContact CA-O 3.4Å; T268-L304 HydrophobicContact CG2-CD1 4.31Å; T268-L304 PolarHBondContact N-O 2.92Å; T268-L304 VanDerWaalsContact N-O 3.08Å; T268-L304 PolarHBondContact O-N 3.41Å; F270-L304 HydrophobicContact CE2-CD1 3.69Å; F270-L304 HydrophobicContact CE2-CD2 4.26Å; F270-L304 HydrophobicContact CE2-CG 3.81Å; F270-L304 HydrophobicContact CZ-CD1 3.97Å; L304-Q306 PolarHBondContact O-N 3.37Å; L304-Q306 VanDerWaalsContact O-N 3.16Å; L304-V319 HydrophobicContact CD1-CG1 4.08Å; L304-V319 HydrophobicContact CD2-CB 4.42Å; L304-V319 HydrophobicContact CD2-CG1 3.99Å; L304-V319 HydrophobicContact CG-CG1 4.47Å; L304-T321 HydrophobicContact CD2-CG2 3.93Å; L304-V329 HydrophobicContact CD1-CG2 4.35Å
305	K	93.4	Very high	95.5	Very high	164 Å²	164	27.7 Å²	27.7	71%	0.713	14%	0.136	S	C	*	.	S	Bend	trans	-81.8	20.6	177.4	-155	-179.2	178.1	173.9	0	114.2	Q266 Y267 L322	Q266-K305 CarbonylContact O-C 3.56Å; Q266-K305 VanDerWaalsContact O-C 3.27Å; Y267-K305 HydrophobicContact CE1-CG 4.41Å; K305-L322 HydrophobicContact CB-CD2 3.89Å; K305-L322 HydrophobicContact CD-CD2 4.39Å; K305-L322 HydrophobicContact CG-CD2 4.15Å
306	Q	91.9	Very high	95.1	Very high	84 Å²	84	29.5 Å²	29.5	39%	0.393	16%	0.155	S	C	.	.	S	Bend	trans	-145.9	150.9	178.4	62.3	-176.3	-2.9	0	0	109.5	Q266 Y267 T268 L304 Q308	Q266-Q306 CarbonylContact O-C 3.53Å; Q266-Q306 VanDerWaalsContact O-CA 3.27Å; Q266-Q306 WeakPolarHBondContact O-CA 3.49Å; Q266-Q306 PolarHBondContact O-N 3.47Å; Y267-Q306 CarbonylContact C-O 3.37Å; T268-Q306 WeakPolarHBondContact CB-O 3.42Å; T268-Q306 PolarHBondContact N-O 2.85Å; T268-Q306 PolarHBondContact OG1-O 2.7Å; L304-Q306 PolarHBondContact O-N 3.37Å; L304-Q306 VanDerWaalsContact O-N 3.16Å; Q306-Q308 PolarHBondContact O-N 2.95Å
307	L	93.9	Very high	94.8	Very high	7 Å²	7	28.2 Å²	28.2	4%	0.037	16%	0.156	C	C	.	.			trans	-82.9	115.3	175.6	-171.4	153.3	0	0	0	110.6	H195 Y197 Q266 C309 L350 V355	H195-L307 WeakPolarHBondContact NE2-CD1 3.37Å; Y197-L307 WeakPolarHBondContact CE1-O 3.42Å; Y197-L307 PolarHBondContact OH-O 2.86Å; Y197-L307 VanDerWaalsContact OH-O 3.09Å; Q266-L307 HydrophobicContact CB-CB 4.07Å; L307-C309 WeakPolarHBondContact CD2-SG 3.49Å; L307-L350 HydrophobicContact CD1-CD2 4.49Å; L307-V355 HydrophobicContact CD1-CB 4.41Å; L307-V355 HydrophobicContact CD2-CG1 4.25Å; L307-V355 HydrophobicContact CG-CB 4.13Å; L307-V355 HydrophobicContact CG-CG1 3.84Å
308	Q	95.4	Very high	94.7	Very high	24 Å²	24	30.7 Å²	30.7	11%	0.112	18%	0.176	C	C	.	.			trans	-117.5	96.6	-176.5	-167.1	77.2	40.7	0	0	109.7	T268 Q306 S312 I313 H357	T268-Q308 HydrophobicContact CG2-CB 4.39Å; T268-Q308 WeakPolarHBondContact OG1-CB 3.44Å; T268-Q308 PolarHBondContact OG1-N 3.44Å; Q306-Q308 PolarHBondContact O-N 2.95Å; Q308-S312 PolarHBondContact NE2-OG 3.36Å; Q308-I313 HydrophobicContact CG-CD1 4.01Å; Q308-I313 HydrophobicContact CG-CG1 4.07Å; Q308-H357 PolarHBondContact O-NE2 3.36Å
309	C	96	Very high	94.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.181	C	C	.	.			trans	-69.8	148.5	171.3	-61.2	0	0	0	0	110.7	Y197 T203 C206 L307 E311 S312 D348	Y197-C309 PolarHBondContact OH-N 3.16Å; Y197-C309 VanDerWaalsContact OH-N 3.11Å; Y197-C309 PolarHBondContact OH-SG 2.87Å; T203-C309 HydrophobicContact CG2-CB 4.39Å; C206-C309 WeakPolarHBondContact CA-SG 3.2Å; C206-C309 HydrophobicContact CB-CB 3.58Å; C206-C309 WeakPolarHBondContact CB-SG 3.36Å; C206-C309 WeakPolarHBondContact SG-CB 3.22Å; C206-C309 CovalentContact SG-SG 2.04Å; C206-C309 PolarHBondContact SG-SG 3.44Å; L307-C309 WeakPolarHBondContact CD2-SG 3.49Å; C309-E311 VanDerWaalsContact C-N 3.35Å; C309-E311 PolarHBondContact O-N 3.38Å; C309-S312 WeakPolarHBondContact O-CB 3.31Å; C309-S312 PolarHBondContact O-N 2.78Å; C309-S312 VanDerWaalsContact O-N 3.1Å; C309-S312 PolarHBondContact O-OG 3.46Å; C309-D348 WeakPolarHBondContact CA-OD1 3.48Å
310	A	95.2	Very high	94.5	Very high	11 Å²	11	38 Å²	38	9%	0.091	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-58.3	-44.7	-178.9	0	0	0	0	0	112.8	S312 I313 M336 K347 D348	A310-S312 PolarHBondContact O-N 3.08Å; A310-S312 VanDerWaalsContact O-N 3.1Å; A310-I313 PolarHBondContact O-N 3.12Å; A310-M336 HydrophobicContact CB-SD 4.43Å; A310-K347 HydrophobicContact CB-CB 4.12Å; A310-K347 HydrophobicContact CB-CD 3.76Å; A310-K347 HydrophobicContact CB-CG 4.31Å; A310-D348 PolarHBondContact N-OD1 2.93Å
311	E	92.7	Very high	94.5	Very high	25 Å²	25	37.3 Å²	37.3	12%	0.117	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-67.9	-9.8	-179.1	-76.3	-69.4	140.4	0	0	114	K52 Y54 I201 R208 C309 I313	K52-E311 IonicContact NZ-OE1 3.61Å; K52-E311 PolarHBondContact NZ-OE1 3.09Å; K52-E311 VanDerWaalsContact NZ-OE1 3.07Å; Y54-E311 PolarHBondContact OH-OE2 3Å; I201-E311 WeakPolarHBondContact CD1-O 3.27Å; R208-E311 HydrophobicContact CB-CB 3.95Å; R208-E311 HydrophobicContact CB-CG 4.35Å; R208-E311 IonicContact CZ-OE2 3.3Å; R208-E311 IonicContact NE-OE2 3.83Å; R208-E311 PolarHBondContact NE-OE2 2.92Å; R208-E311 IonicContact NH2-OE2 3.51Å; C309-E311 VanDerWaalsContact C-N 3.35Å; C309-E311 PolarHBondContact O-N 3.38Å; E311-I313 VanDerWaalsContact C-N 3.3Å
312	S	92.5	Very high	94.4	Very high	2 Å²	2	39 Å²	39	1%	0.014	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-79.7	-14.6	173.3	72.4	0	0	0	0	113.2	Y197 N199 Q308 C309 A310	Y197-S312 VanDerWaalsContact CZ-CB 3.44Å; N199-S312 PolarHBondContact ND2-O 3.07Å; Q308-S312 PolarHBondContact NE2-OG 3.36Å; C309-S312 WeakPolarHBondContact O-CB 3.31Å; C309-S312 PolarHBondContact O-N 2.78Å; C309-S312 VanDerWaalsContact O-N 3.1Å; C309-S312 PolarHBondContact O-OG 3.46Å; A310-S312 PolarHBondContact O-N 3.08Å; A310-S312 VanDerWaalsContact O-N 3.1Å
313	I	93.3	Very high	94.3	Very high	13 Å²	13	41.1 Å²	41.1	7%	0.067	23%	0.228	C	C	.	.			trans	-95.8	118.5	-175.9	-55.9	154.9	0	0	0	108.6	Q308 A310 E311 V329 C331 M336	Q308-I313 HydrophobicContact CG-CD1 4.01Å; Q308-I313 HydrophobicContact CG-CG1 4.07Å; A310-I313 PolarHBondContact O-N 3.12Å; E311-I313 VanDerWaalsContact C-N 3.3Å; I313-V329 HydrophobicContact CD1-CG1 3.5Å; I313-V329 HydrophobicContact CG1-CG1 4.18Å; I313-C331 HydrophobicContact CG2-CB 4.31Å; I313-C331 PolarHBondContact O-SG 3.25Å; I313-C331 VanDerWaalsContact O-SG 3.34Å; I313-M336 HydrophobicContact CD1-CE 3.4Å; I313-M336 VanDerWaalsContact CD1-CE 3.4Å; I313-M336 HydrophobicContact CD1-CG 4.08Å; I313-M336 HydrophobicContact CD1-SD 3.82Å
314	V	91.4	Very high	94.2	Very high	9 Å²	9	43 Å²	43	6%	0.055	25%	0.247	C	C	.	.	S	Bend	trans	-122.3	-7.5	-180	-66.2	0	0	0	0	112.8	Y54 I66 C67 I201	Y54-V314 HydrophobicContact CD1-CG1 4.36Å; Y54-V314 HydrophobicContact CE1-CG1 4.25Å; I66-V314 HydrophobicContact CG2-CB 4.03Å; I66-V314 HydrophobicContact CG2-CG1 4.13Å; C67-V314 PolarHBondContact N-O 3.44Å; I201-V314 HydrophobicContact CD1-CG1 3.66Å
315	S	91.1	Very high	94.1	Very high	55 Å²	55	44.9 Å²	44.9	39%	0.385	26%	0.262	S	S	.	.	S	Bend	trans	-162	157.2	178	58.4	0	0	0	0	110	T317	S315-T317 PolarHBondContact O-N 3.49Å; S315-T317 PolarHBondContact O-OG1 3.38Å
316	G	91.1	Very high	94.3	Very high	41 Å²	41	39.5 Å²	39.5	42%	0.423	25%	0.249	S	C	.	.			trans	-54.5	126.8	172.9	0	0	0	0	0	112	V329	G316-V329 WeakPolarHBondContact CA-O 3.35Å
317	T	90.4	Very high	94.5	Very high	75 Å²	75	35.5 Å²	35.5	46%	0.46	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	130.1	178.9	-54.1	0	0	0	0	109.1	S315 V319 V329	S315-T317 PolarHBondContact O-N 3.49Å; S315-T317 PolarHBondContact O-OG1 3.38Å; T317-V319 HydrophobicContact CG2-CG2 4.32Å; T317-V329 PolarHBondContact N-O 3.12Å; T317-V329 PolarHBondContact O-N 3.34Å
318	S	94.8	Very high	94.6	Very high	89 Å²	89	39.7 Å²	39.7	62%	0.622	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.1	122.3	174.4	-169.1	0	0	0	0	109.6	A326	S318-A326 VanDerWaalsContact OG-CB 3.26Å; S318-A326 WeakPolarHBondContact OG-CB 3.41Å
319	V	95.3	Very high	94.7	Very high	16 Å²	16	38.6 Å²	38.6	10%	0.097	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	132.5	-178.2	-173.7	0	0	0	0	109.5	L304 T317 A326 L327 V329	L304-V319 HydrophobicContact CD1-CG1 4.08Å; L304-V319 HydrophobicContact CD2-CB 4.42Å; L304-V319 HydrophobicContact CD2-CG1 3.99Å; L304-V319 HydrophobicContact CG-CG1 4.47Å; T317-V319 HydrophobicContact CG2-CG2 4.32Å; V319-A326 CarbonylContact O-C 3.47Å; V319-A326 WeakPolarHBondContact O-CA 3.38Å; V319-L327 PolarHBondContact N-O 2.71Å; V319-L327 PolarHBondContact O-N 2.91Å; V319-V329 HydrophobicContact CG2-CG2 4.36Å
320	E	96.8	Very high	94.7	Very high	140 Å²	140	38.7 Å²	38.7	65%	0.654	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	129.2	176.3	-166.2	178.8	170.3	0	0	111
321	T	97.9	Very high	94.7	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.031	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-84.4	168.6	173.7	66.6	0	0	0	0	110.7	Y301 I303 L304 Q323 G324 A325 L327	Y301-T321 HydrophobicContact CD2-CG2 3.75Å; Y301-T321 WeakPolarHBondContact CD2-OG1 3.43Å; Y301-T321 HydrophobicContact CE2-CG2 3.89Å; Y301-T321 HydrophobicContact CG-CG2 4.45Å; Y301-T321 VanDerWaalsContact O-CG2 3.27Å; Y301-T321 WeakPolarHBondContact O-CG2 3.44Å; I303-T321 CarbonylContact O-C 3.32Å; I303-T321 WeakPolarHBondContact O-CA 3.13Å; L304-T321 HydrophobicContact CD2-CG2 3.93Å; T321-Q323 PolarHBondContact O-N 2.98Å; T321-Q323 PolarHBondContact OG1-N 3.42Å; T321-G324 PolarHBondContact O-N 2.96Å; T321-A325 WeakPolarHBondContact CB-O 3.5Å; T321-A325 WeakPolarHBondContact CG2-O 3.28Å; T321-A325 PolarHBondContact N-O 3.39Å; T321-A325 PolarHBondContact OG1-O 3.34Å; T321-L327 HydrophobicContact CG2-CB 3.66Å; T321-L327 HydrophobicContact CG2-CD2 4.44Å
322	L	96.3	Very high	94.6	Very high	56 Å²	56	41.8 Å²	41.8	29%	0.293	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-19.6	173.6	-68.9	-172	0	0	0	113.2	L260 N300 I303 K305 G324	L260-L322 HydrophobicContact CD2-CD1 3.7Å; N300-L322 HydrophobicContact CB-CB 3.97Å; N300-L322 PolarHBondContact O-N 3.05Å; I303-L322 HydrophobicContact CB-CB 4.43Å; I303-L322 HydrophobicContact CB-CD1 3.79Å; I303-L322 HydrophobicContact CB-CG 4Å; I303-L322 HydrophobicContact CD1-CD1 4.33Å; I303-L322 HydrophobicContact CG2-CD1 3.42Å; I303-L322 VanDerWaalsContact CG2-CD1 3.42Å; I303-L322 HydrophobicContact CG2-CG 3.85Å; I303-L322 PolarHBondContact O-N 3Å; K305-L322 HydrophobicContact CB-CD2 3.89Å; K305-L322 HydrophobicContact CD-CD2 4.39Å; K305-L322 HydrophobicContact CG-CD2 4.15Å; L322-G324 VanDerWaalsContact C-N 3.27Å
323	Q	97.1	Very high	94.5	Very high	48 Å²	48	42.5 Å²	42.5	22%	0.224	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-23	174.5	-174	-79.9	-19.7	0	0	111.3	D297 N300 Y301 T321 S367	D297-Q323 HydrophobicContact CB-CG 4Å; D297-Q323 WeakPolarHBondContact O-CG 3.4Å; N300-Q323 HydrophobicContact CB-CB 3.81Å; N300-Q323 PolarHBondContact O-N 3.47Å; Y301-Q323 HydrophobicContact CD2-CB 4.36Å; T321-Q323 PolarHBondContact O-N 2.98Å; T321-Q323 PolarHBondContact OG1-N 3.42Å; Q323-S367 PolarHBondContact NE2-OG 2.88Å
324	G	95.8	Very high	94.2	Very high	39 Å²	39	46.1 Å²	46.1	40%	0.402	29%	0.289	S	S	.	.	S	Bend	trans	103.5	-21.5	178.4	0	0	0	0	0	114	T321 L322	T321-G324 PolarHBondContact O-N 2.96Å; L322-G324 VanDerWaalsContact C-N 3.27Å
325	A	94.8	Very high	94.2	Very high	39 Å²	39	50.5 Å²	50.5	32%	0.322	31%	0.309	S	S	.	.	S	Bend	trans	-72.2	146.9	169.3	0	0	0	0	0	110.8	Y301 T321	Y301-A325 HydrophobicContact CD2-CB 4.09Å; Y301-A325 HydrophobicContact CE2-CB 3.67Å; T321-A325 WeakPolarHBondContact CB-O 3.5Å; T321-A325 WeakPolarHBondContact CG2-O 3.28Å; T321-A325 PolarHBondContact N-O 3.39Å; T321-A325 PolarHBondContact OG1-O 3.34Å
326	A	95.9	Very high	94.4	Very high	52 Å²	52	48 Å²	48	43%	0.43	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	141.2	176.5	0	0	0	0	0	111.4	Y301 S318 V319	Y301-A326 PolarHBondContact OH-O 3.21Å; S318-A326 VanDerWaalsContact OG-CB 3.26Å; S318-A326 WeakPolarHBondContact OG-CB 3.41Å; V319-A326 CarbonylContact O-C 3.47Å; V319-A326 WeakPolarHBondContact O-CA 3.38Å
327	L	96.9	Very high	94.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	128.3	172.1	-178.7	68.2	0	0	0	108	F270 Y301 V319 T321 V329 L338 L363	F270-L327 HydrophobicContact CD2-CD2 3.75Å; F270-L327 HydrophobicContact CE2-CD2 3.51Å; F270-L327 HydrophobicContact CZ-CD2 4.4Å; Y301-L327 HydrophobicContact CE1-CD1 4.34Å; V319-L327 PolarHBondContact N-O 2.71Å; V319-L327 PolarHBondContact O-N 2.91Å; T321-L327 HydrophobicContact CG2-CB 3.66Å; T321-L327 HydrophobicContact CG2-CD2 4.44Å; L327-V329 HydrophobicContact CD2-CG2 4.12Å; L327-V329 HydrophobicContact CG-CG2 4.17Å; L327-V329 PolarHBondContact O-N 3.32Å; L327-L338 HydrophobicContact CD1-CB 4.48Å; L327-L338 HydrophobicContact CD2-CD2 4.15Å; L327-L363 HydrophobicContact CD1-CD1 4.19Å; L327-L363 HydrophobicContact CD2-CD1 4.23Å
328	E	96.4	Very high	95	Very high	94 Å²	94	43.2 Å²	43.2	44%	0.439	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	112.8	171.5	-172.6	-174.7	170.1	0	0	109.3	L338 N339	E328-L338 CarbonylContact O-C 3.59Å; E328-L338 WeakPolarHBondContact O-CA 3.45Å; E328-N339 PolarHBondContact N-OD1 2.79Å; E328-N339 PolarHBondContact O-N 2.79Å
329	V	96.8	Very high	95	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.012	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	118.4	176.7	-176.9	0	0	0	0	108.6	F270 L304 I313 G316 T317 V319 L327 M336 L338	F270-V329 HydrophobicContact CE2-CG2 4.44Å; F270-V329 HydrophobicContact CZ-CG2 4.18Å; L304-V329 HydrophobicContact CD1-CG2 4.35Å; I313-V329 HydrophobicContact CD1-CG1 3.5Å; I313-V329 HydrophobicContact CG1-CG1 4.18Å; G316-V329 WeakPolarHBondContact CA-O 3.35Å; T317-V329 PolarHBondContact N-O 3.12Å; T317-V329 PolarHBondContact O-N 3.34Å; V319-V329 HydrophobicContact CG2-CG2 4.36Å; L327-V329 HydrophobicContact CD2-CG2 4.12Å; L327-V329 HydrophobicContact CG-CG2 4.17Å; L327-V329 PolarHBondContact O-N 3.32Å; V329-M336 HydrophobicContact CG1-CE 3.43Å; V329-M336 VanDerWaalsContact CG1-CE 3.43Å; V329-L338 HydrophobicContact CG1-CD2 4.28Å; V329-L338 HydrophobicContact CG2-CD2 4.07Å
330	G	95.8	Very high	94.9	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.01	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	-166.3	-173.3	0	0	0	0	0	113.5	T337	G330-T337 WeakPolarHBondContact CA-OG1 3.44Å; G330-T337 PolarHBondContact N-O 2.79Å; G330-T337 PolarHBondContact O-N 2.98Å
331	C	95	Very high	94.8	Very high	20 Å²	20	41.4 Å²	41.4	14%	0.135	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	147.3	175.5	52.7	0	0	0	0	111.4	C67 I313 Q335 T337	C67-C331 CarbonylContact C-O 3.49Å; C67-C331 VanDerWaalsContact CA-O 3.27Å; C67-C331 WeakPolarHBondContact CA-O 3.36Å; C67-C331 WeakPolarHBondContact CA-SG 3.36Å; C67-C331 HydrophobicContact CB-CB 3.62Å; C67-C331 WeakPolarHBondContact CB-SG 3.29Å; C67-C331 WeakPolarHBondContact SG-CB 3.28Å; C67-C331 CovalentContact SG-SG 2.03Å; C67-C331 PolarHBondContact SG-SG 2.86Å; I313-C331 HydrophobicContact CG2-CB 4.31Å; I313-C331 PolarHBondContact O-SG 3.25Å; I313-C331 VanDerWaalsContact O-SG 3.34Å; C331-Q335 CarbonylContact C-O 3.38Å; C331-Q335 WeakPolarHBondContact CA-O 3.48Å; C331-Q335 WeakPolarHBondContact CB-O 3.41Å; C331-T337 PolarHBondContact N-OG1 3.39Å
332	D	92.2	Very high	94.7	Very high	82 Å²	82	44.3 Å²	44.3	44%	0.439	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	107.6	166.5	-178.8	17	0	0	0	109.7	C67 K69 D334 Q335 T337	C67-D332 CarbonylContact O-C 3.5Å; C67-D332 WeakPolarHBondContact O-CA 3.49Å; K69-D332 VanDerWaalsContact CE-OD1 3.31Å; K69-D332 WeakPolarHBondContact CE-OD1 3.4Å; K69-D332 IonicContact NZ-OD1 3.22Å; K69-D332 PolarHBondContact NZ-OD1 2.81Å; K69-D332 IonicContact NZ-OD2 3.78Å; D332-D334 PolarHBondContact O-N 2.87Å; D332-Q335 PolarHBondContact N-O 2.84Å; D332-Q335 WeakPolarHBondContact O-CB 3.27Å; D332-Q335 PolarHBondContact O-N 3.29Å; D332-Q335 VanDerWaalsContact O-N 3.12Å; D332-T337 HydrophobicContact CB-CG2 4.3Å
333	G	89.5	Confident	94.7	Very high	16 Å²	16	42 Å²	42	17%	0.165	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	60	-124.6	-167.1	0	0	0	0	0	111.1	C67	C67-G333 VanDerWaalsContact CB-O 3.25Å; C67-G333 WeakPolarHBondContact CB-O 3.47Å; C67-G333 PolarHBondContact O-N 3.05Å
334	D	86.3	Confident	94.7	Very high	90 Å²	90	39.9 Å²	39.9	48%	0.481	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-5.3	177.6	-65.6	-49	0	0	0	113.3	K52 D332 K347	K52-D334 WeakPolarHBondContact CE-OD1 3.37Å; K52-D334 IonicContact NZ-OD1 3.18Å; K52-D334 PolarHBondContact NZ-OD1 2.8Å; D332-D334 PolarHBondContact O-N 2.87Å; D334-K347 PolarHBondContact O-NZ 3.28Å
335	Q	91.5	Very high	94.8	Very high	100 Å²	100	42.3 Å²	42.3	47%	0.467	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	128.6	179.4	-63.9	-62.1	-24.1	0	0	110.2	C331 D332 A342	C331-Q335 CarbonylContact C-O 3.38Å; C331-Q335 WeakPolarHBondContact CA-O 3.48Å; C331-Q335 WeakPolarHBondContact CB-O 3.41Å; D332-Q335 PolarHBondContact N-O 2.84Å; D332-Q335 WeakPolarHBondContact O-CB 3.27Å; D332-Q335 PolarHBondContact O-N 3.29Å; D332-Q335 VanDerWaalsContact O-N 3.12Å; Q335-A342 HydrophobicContact CB-CB 4.26Å
336	M	95.1	Very high	94.8	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.02	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	135.9	170.4	-176.6	174.3	173.2	0	0	108.7	F270 A310 I313 V329 L338 V344 K347	F270-M336 HydrophobicContact CE1-CE 3.43Å; F270-M336 VanDerWaalsContact CE1-CE 3.43Å; F270-M336 HydrophobicContact CZ-CE 3.8Å; A310-M336 HydrophobicContact CB-SD 4.43Å; I313-M336 HydrophobicContact CD1-CE 3.4Å; I313-M336 VanDerWaalsContact CD1-CE 3.4Å; I313-M336 HydrophobicContact CD1-CG 4.08Å; I313-M336 HydrophobicContact CD1-SD 3.82Å; V329-M336 HydrophobicContact CG1-CE 3.43Å; V329-M336 VanDerWaalsContact CG1-CE 3.43Å; M336-L338 HydrophobicContact CE-CD2 4.26Å; M336-V344 HydrophobicContact CB-CB 4.15Å; M336-V344 HydrophobicContact CB-CG1 4.4Å; M336-V344 HydrophobicContact CB-CG2 4.04Å; M336-V344 HydrophobicContact CG-CG2 4.03Å; M336-V344 HydrophobicContact SD-CG2 4.37Å; M336-K347 HydrophobicContact CB-CD 3.99Å
337	T	96.6	Very high	94.8	Very high	13 Å²	13	45.1 Å²	45.1	8%	0.08	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	145	-177.1	64.2	0	0	0	0	111.4	G330 C331 D332 N341 A342	G330-T337 WeakPolarHBondContact CA-OG1 3.44Å; G330-T337 PolarHBondContact N-O 2.79Å; G330-T337 PolarHBondContact O-N 2.98Å; C331-T337 PolarHBondContact N-OG1 3.39Å; D332-T337 HydrophobicContact CB-CG2 4.3Å; T337-N341 CarbonylContact C-O 3.46Å; T337-N341 WeakPolarHBondContact CA-O 3.27Å; T337-A342 HydrophobicContact CG2-CB 4.15Å
338	L	97.4	Very high	94.7	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	122	175.2	-58.2	179.5	0	0	0	108	F270 L327 E328 V329 M336 G340 N341 I343 V344 I359 L363	F270-L338 HydrophobicContact CB-CD1 4.31Å; F270-L338 HydrophobicContact CD1-CD1 3.66Å; F270-L338 HydrophobicContact CD1-CD2 4.15Å; F270-L338 HydrophobicContact CD2-CD1 4.43Å; F270-L338 HydrophobicContact CE1-CD1 4.1Å; F270-L338 HydrophobicContact CE1-CD2 3.73Å; F270-L338 HydrophobicContact CE2-CD2 4.22Å; F270-L338 HydrophobicContact CG-CD1 3.87Å; F270-L338 HydrophobicContact CZ-CD2 3.74Å; L327-L338 HydrophobicContact CD1-CB 4.48Å; L327-L338 HydrophobicContact CD2-CD2 4.15Å; E328-L338 CarbonylContact O-C 3.59Å; E328-L338 WeakPolarHBondContact O-CA 3.45Å; V329-L338 HydrophobicContact CG1-CD2 4.28Å; V329-L338 HydrophobicContact CG2-CD2 4.07Å; M336-L338 HydrophobicContact CE-CD2 4.26Å; L338-G340 PolarHBondContact O-N 2.79Å; L338-N341 PolarHBondContact N-O 2.91Å; L338-N341 WeakPolarHBondContact O-CB 3.35Å; L338-N341 PolarHBondContact O-N 3.06Å; L338-I343 HydrophobicContact CB-CD1 4.25Å; L338-I343 HydrophobicContact CB-CG1 4.32Å; L338-I343 HydrophobicContact CD1-CD1 4.25Å; L338-I343 HydrophobicContact CD1-CG1 4.35Å; L338-V344 HydrophobicContact CD1-CG2 4.06Å; L338-V344 HydrophobicContact CG-CG2 4.05Å; L338-I359 HydrophobicContact CD1-CG2 3.81Å; L338-L363 HydrophobicContact CD1-CD1 4.01Å
339	N	94.8	Very high	94.7	Very high	68 Å²	68	43.9 Å²	43.9	36%	0.364	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	39.6	-170.2	-63.8	-23.8	0	0	0	112.6	E328 N341	E328-N339 PolarHBondContact N-OD1 2.79Å; E328-N339 PolarHBondContact O-N 2.79Å; N339-N341 PolarHBondContact O-N 3.38Å
340	G	93.5	Very high	94.5	Very high	51 Å²	51	45.5 Å²	45.5	53%	0.526	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	-9.9	-177.5	0	0	0	0	0	115.6	L338	L338-G340 PolarHBondContact O-N 2.79Å
341	N	95.1	Very high	94.4	Very high	89 Å²	89	45.7 Å²	45.7	48%	0.476	26%	0.263	S	S	.	.	B	Isolated β-bridge	trans	-92.9	130.6	-176.5	-60.1	-43	0	0	0	112	T337 L338 N339 I343	T337-N341 CarbonylContact C-O 3.46Å; T337-N341 WeakPolarHBondContact CA-O 3.27Å; L338-N341 PolarHBondContact N-O 2.91Å; L338-N341 WeakPolarHBondContact O-CB 3.35Å; L338-N341 PolarHBondContact O-N 3.06Å; N339-N341 PolarHBondContact O-N 3.38Å; N341-I343 VanDerWaalsContact C-N 3.3Å; N341-I343 HydrophobicContact CB-CG2 3.88Å; N341-I343 PolarHBondContact O-N 2.96Å
342	A	95.8	Very high	94.2	Very high	65 Å²	65	47.9 Å²	47.9	54%	0.537	28%	0.276	S	S	.	.			trans	-81.7	72.3	176.6	0	0	0	0	0	111.2	Q335 T337	Q335-A342 HydrophobicContact CB-CB 4.26Å; T337-A342 HydrophobicContact CG2-CB 4.15Å
343	I	96.8	Very high	94.1	Very high	7 Å²	7	44.3 Å²	44.3	4%	0.036	26%	0.257	C	S	.	.			trans	-106.5	-6.1	-174.2	59.1	168.9	0	0	0	113.8	L338 N341 T345 I359 S360 Q361 L363	L338-I343 HydrophobicContact CB-CD1 4.25Å; L338-I343 HydrophobicContact CB-CG1 4.32Å; L338-I343 HydrophobicContact CD1-CD1 4.25Å; L338-I343 HydrophobicContact CD1-CG1 4.35Å; N341-I343 VanDerWaalsContact C-N 3.3Å; N341-I343 HydrophobicContact CB-CG2 3.88Å; N341-I343 PolarHBondContact O-N 2.96Å; I343-T345 PolarHBondContact O-N 3.38Å; I343-I359 HydrophobicContact CD1-CB 4.46Å; I343-I359 CarbonylContact O-C 3.16Å; I343-I359 WeakPolarHBondContact O-CA 3.49Å; I343-S360 PolarHBondContact O-N 2.83Å; I343-S360 PolarHBondContact O-OG 2.03Å; I343-Q361 HydrophobicContact CB-CB 4.42Å; I343-Q361 HydrophobicContact CB-CG 4.37Å; I343-Q361 HydrophobicContact CD1-CB 4.06Å; I343-Q361 HydrophobicContact CG2-CB 4.18Å; I343-Q361 VanDerWaalsContact CG2-CD 3.43Å; I343-Q361 HydrophobicContact CG2-CG 3.78Å; I343-L363 HydrophobicContact CD1-CD2 3.82Å
344	V	97.6	Very high	94.3	Very high	5 Å²	5	43.6 Å²	43.6	3%	0.03	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	117.8	-180	-175.5	0	0	0	0	109.8	M336 L338 K347 H357 Y358 I359	M336-V344 HydrophobicContact CB-CB 4.15Å; M336-V344 HydrophobicContact CB-CG1 4.4Å; M336-V344 HydrophobicContact CB-CG2 4.04Å; M336-V344 HydrophobicContact CG-CG2 4.03Å; M336-V344 HydrophobicContact SD-CG2 4.37Å; L338-V344 HydrophobicContact CD1-CG2 4.06Å; L338-V344 HydrophobicContact CG-CG2 4.05Å; V344-K347 HydrophobicContact CG1-CD 4.48Å; V344-K347 HydrophobicContact CG1-CG 3.66Å; V344-H357 HydrophobicContact CG1-CB 3.99Å; V344-Y358 CarbonylContact C-O 3.56Å; V344-Y358 VanDerWaalsContact CA-O 3.28Å; V344-Y358 WeakPolarHBondContact CA-O 3.08Å; V344-Y358 WeakPolarHBondContact CG1-O 3.38Å; V344-I359 HydrophobicContact CG2-CG2 4.15Å
345	T	96.4	Very high	94.8	Very high	90 Å²	90	39.3 Å²	39.3	55%	0.552	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98	-35.5	-174.4	52.4	0	0	0	0	113.2	I343 Y358	I343-T345 PolarHBondContact O-N 3.38Å; T345-Y358 PolarHBondContact N-O 3.2Å; T345-Y358 WeakPolarHBondContact OG1-CB 3.42Å; T345-Y358 PolarHBondContact OG1-O 3.05Å
346	K	95.6	Very high	95.1	Very high	85 Å²	85	34.6 Å²	34.6	37%	0.37	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	129.8	178	-161.8	-175.5	-172.6	-172.7	0	108.7	Q349 H357 Y358	K346-Q349 HydrophobicContact CD-CG 3.96Å; K346-Q349 HydrophobicContact CG-CG 4.21Å; K346-H357 CarbonylContact O-C 3.6Å; K346-H357 WeakPolarHBondContact O-CA 3.41Å; K346-Y358 HydrophobicContact CB-CD2 3.97Å; K346-Y358 HydrophobicContact CB-CG 3.81Å; K346-Y358 HydrophobicContact CD-CD1 4.4Å; K346-Y358 HydrophobicContact CD-CD2 4.1Å; K346-Y358 HydrophobicContact CD-CE1 4.44Å; K346-Y358 HydrophobicContact CD-CE2 4.22Å; K346-Y358 HydrophobicContact CD-CG 4.25Å; K346-Y358 HydrophobicContact CG-CD2 4.48Å; K346-Y358 PolarHBondContact O-N 3.38Å
347	K	95.6	Very high	95.3	Very high	64 Å²	64	34.4 Å²	34.4	28%	0.278	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	156.6	-174.6	-63.6	178.3	-64.4	171.2	0	111	A310 D334 M336 V344 Q349	A310-K347 HydrophobicContact CB-CB 4.12Å; A310-K347 HydrophobicContact CB-CD 3.76Å; A310-K347 HydrophobicContact CB-CG 4.31Å; D334-K347 PolarHBondContact O-NZ 3.28Å; M336-K347 HydrophobicContact CB-CD 3.99Å; V344-K347 HydrophobicContact CG1-CD 4.48Å; V344-K347 HydrophobicContact CG1-CG 3.66Å; K347-Q349 PolarHBondContact O-N 2.85Å; K347-Q349 PolarHBondContact O-NE2 3.17Å; K347-Q349 VanDerWaalsContact O-NE2 3.14Å
348	D	95.7	Very high	95.3	Very high	13 Å²	13	34 Å²	34	7%	0.07	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	55.6	42.9	166.5	-54	-41.8	0	0	0	114.7	C206 R226 C309 A310 L350 H357	C206-D348 HydrophobicContact CB-CB 3.98Å; R226-D348 IonicContact CZ-OD2 3.96Å; R226-D348 IonicContact NH1-OD2 2.85Å; R226-D348 PolarHBondContact NH1-OD2 3.26Å; R226-D348 VanDerWaalsContact NH1-OD2 3.12Å; R226-D348 IonicContact NH2-OD2 3.61Å; R226-D348 PolarHBondContact NH2-OD2 3.41Å; C309-D348 WeakPolarHBondContact CA-OD1 3.48Å; A310-D348 PolarHBondContact N-OD1 2.93Å; D348-L350 PolarHBondContact O-N 3.32Å; D348-H357 PolarHBondContact N-CE1 3.24Å; D348-H357 PolarHBondContact N-ND1 3.35Å; D348-H357 IonicContact OD1-CE1 3.38Å; D348-H357 PolarHBondContact OD1-CE1 3.21Å
349	Q	95.4	Very high	95.4	Very high	55 Å²	55	33.9 Å²	33.9	26%	0.257	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	101.2	169.7	-58	-55.7	-74.1	0	0	108.5	K346 K347 I356 Y358	K346-Q349 HydrophobicContact CD-CG 3.96Å; K346-Q349 HydrophobicContact CG-CG 4.21Å; K347-Q349 PolarHBondContact O-N 2.85Å; K347-Q349 PolarHBondContact O-NE2 3.17Å; K347-Q349 VanDerWaalsContact O-NE2 3.14Å; Q349-I356 HydrophobicContact CB-CB 4.11Å; Q349-I356 WeakPolarHBondContact CB-O 3.31Å; Q349-I356 PolarHBondContact N-O 2.92Å; Q349-I356 PolarHBondContact O-N 2.97Å; Q349-Y358 HydrophobicContact CB-CE2 4.16Å; Q349-Y358 HydrophobicContact CG-CD2 3.98Å; Q349-Y358 HydrophobicContact CG-CE2 3.55Å
350	L	93.5	Very high	95.5	Very high	36 Å²	36	31.8 Å²	31.8	19%	0.188	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	131.3	-171.4	-79.7	166.6	0	0	0	112.3	N205 C206 V231 I238 L307 D348 V355	N205-L350 HydrophobicContact CB-CD1 3.67Å; N205-L350 WeakPolarHBondContact O-CD1 3.38Å; C206-L350 HydrophobicContact CB-CD1 4.18Å; V231-L350 HydrophobicContact CG1-CB 4.42Å; V231-L350 HydrophobicContact CG2-CB 3.85Å; V231-L350 HydrophobicContact CG2-CD1 4.41Å; I238-L350 VanDerWaalsContact CD1-O 3.31Å; I238-L350 WeakPolarHBondContact CD1-O 3.18Å; L307-L350 HydrophobicContact CD1-CD2 4.49Å; D348-L350 PolarHBondContact O-N 3.32Å; L350-V355 HydrophobicContact CD2-CB 4.16Å; L350-V355 HydrophobicContact CD2-CG2 4.17Å
351	G	92.4	Very high	95.7	Very high	5 Å²	5	33.7 Å²	33.7	5%	0.052	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	166.8	163.4	0	0	0	0	0	111.3	S233 N353 G354	S233-G351 CarbonylContact O-C 3.55Å; S233-G351 WeakPolarHBondContact O-CA 3.49Å; G351-N353 PolarHBondContact O-N 2.97Å; G351-N353 VanDerWaalsContact O-N 3.11Å; G351-G354 PolarHBondContact N-O 2.86Å; G351-G354 PolarHBondContact O-N 2.85Å
352	T	90.8	Very high	95.8	Very high	67 Å²	67	30.2 Å²	30.2	41%	0.411	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-22.5	-179.6	55.6	0	0	0	0	113.7	V231 S233 D234	V231-T352 HydrophobicContact CG1-CG2 4.12Å; S233-T352 PolarHBondContact O-N 2.77Å; D234-T352 WeakPolarHBondContact CA-OG1 3.39Å
353	N	90.9	Very high	95.9	Very high	7 Å²	7	27.9 Å²	27.9	4%	0.037	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.2	11.5	-176.9	63.8	-20.5	0	0	0	114.4	M235 L261 S263 G265 Y267 G351	M235-N353 WeakPolarHBondContact CG-OD1 2.96Å; M235-N353 PolarHBondContact N-OD1 3.23Å; L261-N353 PolarHBondContact O-ND2 3.49Å; S263-N353 PolarHBondContact O-ND2 3.11Å; G265-N353 CarbonylContact C-O 3.58Å; G265-N353 CarbonylContact O-C 3.34Å; G265-N353 WeakPolarHBondContact O-CA 3.25Å; Y267-N353 PolarHBondContact N-O 2.81Å; G351-N353 PolarHBondContact O-N 2.97Å; G351-N353 VanDerWaalsContact O-N 3.11Å
354	G	94.3	Very high	95.9	Very high	1 Å²	1	29 Å²	29	1%	0.01	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.5	-169.6	-179.4	0	0	0	0	0	115.7	Y267 G351	Y267-G354 CarbonylContact O-C 3.58Å; Y267-G354 WeakPolarHBondContact O-CA 3.32Å; G351-G354 PolarHBondContact N-O 2.86Å; G351-G354 PolarHBondContact O-N 2.85Å
355	V	96.2	Very high	95.9	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	137.7	175.1	67.5	0	0	0	0	110.4	Y267 T268 V269 L307 L350	Y267-V355 PolarHBondContact O-N 3.14Å; T268-V355 CarbonylContact C-O 3.11Å; T268-V355 VanDerWaalsContact CA-O 3.29Å; T268-V355 WeakPolarHBondContact CA-O 3.03Å; T268-V355 HydrophobicContact CG2-CG1 3.93Å; V269-V355 PolarHBondContact N-O 3.29Å; L307-V355 HydrophobicContact CD1-CB 4.41Å; L307-V355 HydrophobicContact CD2-CG1 4.25Å; L307-V355 HydrophobicContact CG-CB 4.13Å; L307-V355 HydrophobicContact CG-CG1 3.84Å; L350-V355 HydrophobicContact CD2-CB 4.16Å; L350-V355 HydrophobicContact CD2-CG2 4.17Å
356	I	97.6	Very high	95.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	132.6	176.4	-57.5	166.2	0	0	0	109.1	M235 I238 V239 V269 A271 Q349 Y358	M235-I356 HydrophobicContact CB-CD1 3.98Å; M235-I356 HydrophobicContact CB-CG1 4.38Å; M235-I356 HydrophobicContact CG-CD1 4.1Å; M235-I356 HydrophobicContact CG-CG1 4.04Å; M235-I356 HydrophobicContact SD-CG1 4.29Å; I238-I356 HydrophobicContact CB-CD1 3.97Å; I238-I356 HydrophobicContact CD1-CD1 4.39Å; I238-I356 HydrophobicContact CG2-CD1 3.79Å; V239-I356 HydrophobicContact CG2-CD1 4.04Å; V269-I356 HydrophobicContact CB-CG1 4.24Å; V269-I356 CarbonylContact O-C 3.32Å; V269-I356 WeakPolarHBondContact O-CA 3.49Å; A271-I356 HydrophobicContact CB-CG2 3.47Å; A271-I356 VanDerWaalsContact CB-CG2 3.47Å; Q349-I356 HydrophobicContact CB-CB 4.11Å; Q349-I356 WeakPolarHBondContact CB-O 3.31Å; Q349-I356 PolarHBondContact N-O 2.92Å; Q349-I356 PolarHBondContact O-N 2.97Å; I356-Y358 HydrophobicContact CG2-CD2 4Å; I356-Y358 HydrophobicContact CG2-CE2 3.76Å
357	H	98.3	Very high	95.9	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	125.7	169.5	-56.6	-73.1	0	0	0	108.8	T268 V269 F270 A271 Q308 V344 K346 D348	T268-H357 VanDerWaalsContact CG2-CD2 3.5Å; T268-H357 WeakPolarHBondContact CG2-CD2 3.5Å; V269-H357 PolarHBondContact O-N 3.01Å; F270-H357 CarbonylContact C-O 3.59Å; F270-H357 VanDerWaalsContact CA-O 3.29Å; F270-H357 WeakPolarHBondContact CA-O 3.26Å; F270-H357 HydrophobicContact CD1-CB 3.92Å; F270-H357 HydrophobicContact CE1-CB 4.18Å; F270-H357 AromaticContact CE1-CD2 3.71Å; A271-H357 PolarHBondContact N-O 2.89Å; Q308-H357 PolarHBondContact O-NE2 3.36Å; V344-H357 HydrophobicContact CG1-CB 3.99Å; K346-H357 CarbonylContact O-C 3.6Å; K346-H357 WeakPolarHBondContact O-CA 3.41Å; D348-H357 PolarHBondContact N-CE1 3.24Å; D348-H357 PolarHBondContact N-ND1 3.35Å; D348-H357 IonicContact OD1-CE1 3.38Å; D348-H357 PolarHBondContact OD1-CE1 3.21Å
358	Y	98.5	Very high	96	Very high	4 Å²	4	21 Å²	21	2%	0.016	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	137.1	-175.6	-69.5	-132.8	0	0	0	108.4	D242 L245 A271 T273 V344 T345 K346 Q349 I356	D242-Y358 PolarHBondContact OD2-OH 2.98Å; L245-Y358 HydrophobicContact CD1-CE1 3.89Å; L245-Y358 HydrophobicContact CD1-CE2 4.39Å; L245-Y358 WeakPolarHBondContact CD1-OH 3.33Å; L245-Y358 HydrophobicContact CD2-CD1 4.13Å; L245-Y358 HydrophobicContact CD2-CE1 3.95Å; L245-Y358 HydrophobicContact CG-CE1 3.88Å; A271-Y358 CarbonylContact O-C 3.55Å; A271-Y358 WeakPolarHBondContact O-CA 3.41Å; T273-Y358 HydrophobicContact CG2-CD1 4.06Å; V344-Y358 CarbonylContact C-O 3.56Å; V344-Y358 VanDerWaalsContact CA-O 3.28Å; V344-Y358 WeakPolarHBondContact CA-O 3.08Å; V344-Y358 WeakPolarHBondContact CG1-O 3.38Å; T345-Y358 PolarHBondContact N-O 3.2Å; T345-Y358 WeakPolarHBondContact OG1-CB 3.42Å; T345-Y358 PolarHBondContact OG1-O 3.05Å; K346-Y358 HydrophobicContact CB-CD2 3.97Å; K346-Y358 HydrophobicContact CB-CG 3.81Å; K346-Y358 HydrophobicContact CD-CD1 4.4Å; K346-Y358 HydrophobicContact CD-CD2 4.1Å; K346-Y358 HydrophobicContact CD-CE1 4.44Å; K346-Y358 HydrophobicContact CD-CE2 4.22Å; K346-Y358 HydrophobicContact CD-CG 4.25Å; K346-Y358 HydrophobicContact CG-CD2 4.48Å; K346-Y358 PolarHBondContact O-N 3.38Å; Q349-Y358 HydrophobicContact CB-CE2 4.16Å; Q349-Y358 HydrophobicContact CG-CD2 3.98Å; Q349-Y358 HydrophobicContact CG-CE2 3.55Å; I356-Y358 HydrophobicContact CG2-CD2 4Å; I356-Y358 HydrophobicContact CG2-CE2 3.76Å
359	I	98.5	Very high	96.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	143.8	-178.5	67.8	176.1	0	0	0	111.2	F270 A271 P272 T273 L338 I343 V344 Q361 L363	F270-I359 HydrophobicContact CB-CD1 4.09Å; F270-I359 HydrophobicContact CB-CG2 4.04Å; F270-I359 HydrophobicContact CD1-CG2 4.35Å; A271-I359 PolarHBondContact O-N 3.28Å; P272-I359 HydrophobicContact CB-CD1 4.31Å; P272-I359 HydrophobicContact CB-CG1 4.03Å; T273-I359 PolarHBondContact N-O 2.85Å; T273-I359 VanDerWaalsContact N-O 3.14Å; L338-I359 HydrophobicContact CD1-CG2 3.81Å; I343-I359 HydrophobicContact CD1-CB 4.46Å; I343-I359 CarbonylContact O-C 3.16Å; I343-I359 WeakPolarHBondContact O-CA 3.49Å; V344-I359 HydrophobicContact CG2-CG2 4.15Å; I359-Q361 WeakPolarHBondContact CD1-O 3.29Å; I359-Q361 WeakPolarHBondContact CG1-O 3.32Å; I359-L363 HydrophobicContact CD1-CD1 4.05Å; I359-L363 HydrophobicContact CD1-CG 3.85Å
360	S	97.7	Very high	96.1	Very high	24 Å²	24	20.3 Å²	20.3	17%	0.168	11%	0.11	C	C	.	.	S	Bend	trans	-91.9	1.1	-177.5	59.5	0	0	0	0	114.1	K279 I343	K279-S360 PolarHBondContact NZ-O 2.73Å; I343-S360 PolarHBondContact O-N 2.83Å; I343-S360 PolarHBondContact O-OG 2.03Å
361	Q	97.6	Very high	96.1	Very high	90 Å²	90	18.8 Å²	18.8	42%	0.421	10%	0.103	S	C	.	.	S	Bend	trans	-140.8	143.5	178	-63.5	-175.5	7.1	0	0	109.7	I343 I359	I343-Q361 HydrophobicContact CB-CB 4.42Å; I343-Q361 HydrophobicContact CB-CG 4.37Å; I343-Q361 HydrophobicContact CD1-CB 4.06Å; I343-Q361 HydrophobicContact CG2-CB 4.18Å; I343-Q361 VanDerWaalsContact CG2-CD 3.43Å; I343-Q361 HydrophobicContact CG2-CG 3.78Å; I359-Q361 WeakPolarHBondContact CD1-O 3.29Å; I359-Q361 WeakPolarHBondContact CG1-O 3.32Å
362	L	97.3	Very high	96.2	Very high	17 Å²	17	20.9 Å²	20.9	9%	0.089	11%	0.112	C	C	.	.			trans	-78.1	129	177.6	-168.3	67.7	0	0	0	110.6	P272 F277 I280 L298 I364	P272-L362 HydrophobicContact CB-CD1 3.79Å; P272-L362 HydrophobicContact CG-CD1 3.7Å; F277-L362 HydrophobicContact CD1-CD1 4.29Å; F277-L362 HydrophobicContact CD1-CD2 4.25Å; F277-L362 HydrophobicContact CE1-CD1 3.85Å; F277-L362 HydrophobicContact CE1-CD2 4.28Å; F277-L362 HydrophobicContact CZ-CD1 4.01Å; I280-L362 HydrophobicContact CD1-CB 4.06Å; I280-L362 HydrophobicContact CD1-CD2 4.49Å; I280-L362 HydrophobicContact CG1-CB 4.08Å; I280-L362 HydrophobicContact CG1-CD2 3.9Å; L298-L362 HydrophobicContact CD1-CD1 4.2Å; L298-L362 HydrophobicContact CD1-CD2 3.99Å; L298-L362 HydrophobicContact CD1-CG 3.93Å; L298-L362 HydrophobicContact CD2-CD1 4.38Å; L298-L362 HydrophobicContact CD2-CD2 4.05Å; L362-I364 HydrophobicContact CB-CG1 4.44Å; L362-I364 HydrophobicContact CD2-CD1 4.22Å; L362-I364 HydrophobicContact CD2-CG1 3.91Å; L362-I364 HydrophobicContact CG-CG1 4.06Å; L362-I364 PolarHBondContact O-N 3.34Å
363	L	97.4	Very high	96.4	Very high	16 Å²	16	18.9 Å²	18.9	8%	0.084	10%	0.098	C	C	.	.			trans	-85.3	91.6	175.3	-55.5	174.4	0	0	0	109.5	F270 L298 Y301 H302 L327 L338 I343 I359 P365	F270-L363 HydrophobicContact CB-CD1 4.37Å; L298-L363 WeakPolarHBondContact CD1-O 3.37Å; Y301-L363 HydrophobicContact CD1-CB 3.72Å; Y301-L363 WeakPolarHBondContact CD1-O 3.25Å; Y301-L363 HydrophobicContact CE1-CB 3.91Å; H302-L363 PolarHBondContact CE1-N 2.91Å; H302-L363 PolarHBondContact CE1-O 2.86Å; H302-L363 WeakPolarHBondContact NE2-CB 3.33Å; H302-L363 PolarHBondContact NE2-N 2.73Å; L327-L363 HydrophobicContact CD1-CD1 4.19Å; L327-L363 HydrophobicContact CD2-CD1 4.23Å; L338-L363 HydrophobicContact CD1-CD1 4.01Å; I343-L363 HydrophobicContact CD1-CD2 3.82Å; I359-L363 HydrophobicContact CD1-CD1 4.05Å; I359-L363 HydrophobicContact CD1-CG 3.85Å; L363-P365 VanDerWaalsContact O-CD 3.31Å; L363-P365 WeakPolarHBondContact O-CD 3.37Å
364	I	96.9	Very high	96.5	Very high	31 Å²	31	18.5 Å²	18.5	16%	0.159	10%	0.096	C	C	.	.			trans	-86.4	112.3	179.2	-54.6	177.5	0	0	0	109.5	I280 I288 L298 L362 A368 K369	I280-I364 HydrophobicContact CD1-CD1 4.03Å; I280-I364 HydrophobicContact CG2-CD1 4.35Å; I288-I364 HydrophobicContact CD1-CD1 4.15Å; I288-I364 HydrophobicContact CD1-CG2 4.01Å; L298-I364 HydrophobicContact CD1-CB 4.41Å; L298-I364 HydrophobicContact CD1-CG1 4.08Å; L362-I364 HydrophobicContact CB-CG1 4.44Å; L362-I364 HydrophobicContact CD2-CD1 4.22Å; L362-I364 HydrophobicContact CD2-CG1 3.91Å; L362-I364 HydrophobicContact CG-CG1 4.06Å; L362-I364 PolarHBondContact O-N 3.34Å; I364-A368 HydrophobicContact CG2-CB 4.03Å; I364-K369 HydrophobicContact CG2-CG 3.79Å; I364-K369 WeakPolarHBondContact O-CE 3.48Å; I364-K369 PolarHBondContact O-NZ 3.16Å
365	P	96.8	Very high	96.4	Very high	4 Å²	4	18.5 Å²	18.5	3%	0.026	10%	0.096	C	C	.	.			trans	-69.2	157.5	176.5	30.4	-35.1	0	0	0	110.8	D297 Y301 L363 S367 A368	D297-P365 HydrophobicContact CB-CG 4.41Å; Y301-P365 HydrophobicContact CD1-CB 4.04Å; Y301-P365 HydrophobicContact CD1-CG 4.49Å; Y301-P365 HydrophobicContact CD2-CB 4.05Å; Y301-P365 HydrophobicContact CG-CB 3.77Å; Y301-P365 HydrophobicContact CG-CG 4.21Å; L363-P365 VanDerWaalsContact O-CD 3.31Å; L363-P365 WeakPolarHBondContact O-CD 3.37Å; P365-S367 PolarHBondContact O-N 2.85Å; P365-A368 HydrophobicContact CG-CB 4.06Å; P365-A368 PolarHBondContact O-N 3.33Å
366	D	96.1	Very high	95.9	Very high	50 Å²	50	25.7 Å²	25.7	27%	0.267	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	-56.1	-36.7	177.7	-82.6	0.8	0	0	0	111.9	A368 K369 L374 R475 T476 G477	D366-A368 PolarHBondContact O-N 3.42Å; D366-K369 WeakPolarHBondContact O-CB 3.4Å; D366-K369 PolarHBondContact O-N 3.23Å; D366-K369 IonicContact OD1-NZ 3.44Å; D366-K369 PolarHBondContact OD1-NZ 3.36Å; D366-L374 HydrophobicContact CB-CD2 3.57Å; D366-L374 WeakPolarHBondContact OD1-CD2 3.46Å; D366-R475 IonicContact OD1-CZ 3.49Å; D366-R475 IonicContact OD1-NE 3.51Å; D366-R475 IonicContact OD1-NH2 2.81Å; D366-R475 PolarHBondContact OD1-NH2 3.11Å; D366-R475 IonicContact OD2-CZ 3.67Å; D366-R475 IonicContact OD2-NE 3.81Å; D366-R475 PolarHBondContact OD2-NE 3.39Å; D366-R475 IonicContact OD2-NH2 3.25Å; D366-R475 PolarHBondContact OD2-NH2 3.25Å; D366-T476 CarbonylContact C-O 3.27Å; D366-G477 VanDerWaalsContact O-CA 3.31Å; D366-G477 WeakPolarHBondContact O-CA 3.39Å
367	S	96.9	Very high	94.7	Very high	21 Å²	21	28.6 Å²	28.6	15%	0.147	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-66.3	-9.8	179.3	68.5	0	0	0	0	115.3	D297 Q323 P365 T476 R478	D297-S367 WeakPolarHBondContact CB-OG 3.47Å; D297-S367 VanDerWaalsContact OD2-CB 3.26Å; D297-S367 WeakPolarHBondContact OD2-CB 3.24Å; D297-S367 PolarHBondContact OD2-OG 3.26Å; Q323-S367 PolarHBondContact NE2-OG 2.88Å; P365-S367 PolarHBondContact O-N 2.85Å; S367-T476 PolarHBondContact N-O 3.46Å; S367-R478 WeakPolarHBondContact O-CA 3.37Å; S367-R478 VanDerWaalsContact O-CB 3.25Å; S367-R478 WeakPolarHBondContact O-CB 3.17Å; S367-R478 WeakPolarHBondContact O-CD 3.33Å; S367-R478 PolarHBondContact O-N 3.27Å
368	A	97.3	Very high	93.6	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.008	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-102.4	-3.5	173.2	0	0	0	0	0	113.2	A294 I364 P365 D366	A294-A368 HydrophobicContact CB-CB 4.18Å; I364-A368 HydrophobicContact CG2-CB 4.03Å; P365-A368 HydrophobicContact CG-CB 4.06Å; P365-A368 PolarHBondContact O-N 3.33Å; D366-A368 PolarHBondContact O-N 3.42Å
369	K	96.8	Very high	93.3	Very high	47 Å²	47	34.7 Å²	34.7	20%	0.204	19%	0.188	C	C	.	.	S	Bend	trans	-94.2	152.7	-177.3	-67.7	177.6	-173.1	166.4	0	112.8	I364 D366 E373 L374 G477 R478	I364-K369 HydrophobicContact CG2-CG 3.79Å; I364-K369 WeakPolarHBondContact O-CE 3.48Å; I364-K369 PolarHBondContact O-NZ 3.16Å; D366-K369 WeakPolarHBondContact O-CB 3.4Å; D366-K369 PolarHBondContact O-N 3.23Å; D366-K369 IonicContact OD1-NZ 3.44Å; D366-K369 PolarHBondContact OD1-NZ 3.36Å; K369-E373 VanDerWaalsContact CA-OE2 3.31Å; K369-E373 WeakPolarHBondContact CA-OE2 3.36Å; K369-E373 HydrophobicContact CB-CB 3.94Å; K369-E373 HydrophobicContact CD-CB 4.33Å; K369-E373 HydrophobicContact CG-CB 4.16Å; K369-L374 HydrophobicContact CB-CD2 3.88Å; K369-L374 HydrophobicContact CB-CG 3.97Å; K369-L374 HydrophobicContact CD-CD2 3.97Å; K369-G477 WeakPolarHBondContact O-CA 3.48Å; K369-R478 PolarHBondContact O-N 2.98Å
370	T	96.1	Very high	93.2	Very high	5 Å²	5	34.7 Å²	34.7	3%	0.031	19%	0.188	C	C	.	.			trans	-77.2	168.3	164.8	58.8	0	0	0	0	111.1	R287 L372 E373 L374 L396	R287-T370 VanDerWaalsContact CZ-CG2 3.44Å; T370-L372 VanDerWaalsContact C-N 3.26Å; T370-L372 PolarHBondContact O-N 2.87Å; T370-E373 PolarHBondContact N-OE2 2.83Å; T370-E373 PolarHBondContact O-N 3.44Å; T370-E373 VanDerWaalsContact OG1-CD 3.23Å; T370-E373 WeakPolarHBondContact OG1-CG 3.3Å; T370-E373 PolarHBondContact OG1-N 3.08Å; T370-E373 PolarHBondContact OG1-OE2 2.84Å; T370-E373 VanDerWaalsContact OG1-OE2 3.08Å; T370-L374 VanDerWaalsContact O-CG 3.29Å; T370-L374 WeakPolarHBondContact O-CG 3.34Å; T370-L374 PolarHBondContact O-N 3.19Å; T370-L396 WeakPolarHBondContact CB-O 3.45Å
371	L	94.4	Very high	93	Very high	5 Å²	5	36.1 Å²	36.1	3%	0.026	20%	0.199	C	C	.	.	H	α-helix	trans	-60.3	-38.5	175.8	-79.1	173.3	0	0	0	112	L374 A375 L396 L402 M404 A480 M482	L371-L374 HydrophobicContact CD2-CD1 4.46Å; L371-L374 PolarHBondContact O-N 3Å; L371-A375 VanDerWaalsContact O-CB 3.24Å; L371-A375 WeakPolarHBondContact O-CB 3.48Å; L371-A375 PolarHBondContact O-N 3.44Å; L371-L396 HydrophobicContact CB-CB 4.38Å; L371-L396 HydrophobicContact CB-CD2 4.19Å; L371-L396 WeakPolarHBondContact CB-O 3.24Å; L371-L396 HydrophobicContact CD1-CD2 4.18Å; L371-L396 PolarHBondContact N-O 3.11Å; L371-L396 VanDerWaalsContact N-O 3.12Å; L371-L402 HydrophobicContact CD1-CB 4.5Å; L371-M404 HydrophobicContact CD1-CB 4.04Å; L371-M404 HydrophobicContact CD2-CB 4.05Å; L371-A480 HydrophobicContact CD1-CB 3.54Å; L371-A480 HydrophobicContact CD2-CB 3.85Å; L371-A480 HydrophobicContact CG-CB 3.5Å; L371-M482 HydrophobicContact CD2-CB 4.22Å
372	L	94.6	Very high	92.8	Very high	49 Å²	49	33.5 Å²	33.5	26%	0.257	19%	0.189	S	C	.	.	H	α-helix	trans	-62.4	-48.5	179.5	-173	60.4	0	0	0	111.1	T370 L374 A375 E376 T384 L396 T397	T370-L372 VanDerWaalsContact C-N 3.26Å; T370-L372 PolarHBondContact O-N 2.87Å; L372-L374 VanDerWaalsContact C-N 3.29Å; L372-L374 PolarHBondContact O-N 3.34Å; L372-A375 CarbonylContact O-C 3.55Å; L372-A375 PolarHBondContact O-N 2.93Å; L372-E376 PolarHBondContact O-N 3.3Å; L372-E376 VanDerWaalsContact O-N 3.11Å; L372-T384 HydrophobicContact CD1-CG2 3.67Å; L372-L396 HydrophobicContact CB-CB 3.95Å; L372-L396 HydrophobicContact CD1-CD1 4.17Å; L372-L396 PolarHBondContact N-O 3.14Å; L372-T397 HydrophobicContact CB-CG2 4.05Å; L372-T397 HydrophobicContact CD2-CG2 3.53Å; L372-T397 HydrophobicContact CG-CG2 4.45Å
373	E	94.6	Very high	92.7	Very high	24 Å²	24	32.7 Å²	32.7	11%	0.112	19%	0.185	C	C	.	.	H	α-helix	trans	-65.1	-31.2	177.5	-69	161.2	172.6	0	0	112.4	T284 R287 K369 T370	T284-E373 WeakPolarHBondContact CG2-OE1 3.34Å; T284-E373 PolarHBondContact OG1-OE1 3.41Å; R287-E373 IonicContact CZ-OE1 3.51Å; R287-E373 VanDerWaalsContact CZ-OE1 3.3Å; R287-E373 IonicContact CZ-OE2 2.93Å; R287-E373 IonicContact NH1-OE1 2.9Å; R287-E373 PolarHBondContact NH1-OE1 2.87Å; R287-E373 IonicContact NH1-OE2 3.74Å; R287-E373 IonicContact NH2-OE1 3.72Å; R287-E373 PolarHBondContact NH2-OE1 2.79Å; R287-E373 IonicContact NH2-OE2 3.55Å; R287-E373 PolarHBondContact NH2-OE2 2.88Å; K369-E373 VanDerWaalsContact CA-OE2 3.31Å; K369-E373 WeakPolarHBondContact CA-OE2 3.36Å; K369-E373 HydrophobicContact CB-CB 3.94Å; K369-E373 HydrophobicContact CD-CB 4.33Å; K369-E373 HydrophobicContact CG-CB 4.16Å; T370-E373 PolarHBondContact N-OE2 2.83Å; T370-E373 PolarHBondContact O-N 3.44Å; T370-E373 VanDerWaalsContact OG1-CD 3.23Å; T370-E373 WeakPolarHBondContact OG1-CG 3.3Å; T370-E373 PolarHBondContact OG1-N 3.08Å; T370-E373 PolarHBondContact OG1-OE2 2.84Å; T370-E373 VanDerWaalsContact OG1-OE2 3.08Å
374	L	93.4	Very high	92.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-66.6	-41.1	170.1	-70.3	177	0	0	0	111.3	D366 K369 T370 L371 L372 E376 R475	D366-L374 HydrophobicContact CB-CD2 3.57Å; D366-L374 WeakPolarHBondContact OD1-CD2 3.46Å; K369-L374 HydrophobicContact CB-CD2 3.88Å; K369-L374 HydrophobicContact CB-CG 3.97Å; K369-L374 HydrophobicContact CD-CD2 3.97Å; T370-L374 VanDerWaalsContact O-CG 3.29Å; T370-L374 WeakPolarHBondContact O-CG 3.34Å; T370-L374 PolarHBondContact O-N 3.19Å; L371-L374 HydrophobicContact CD2-CD1 4.46Å; L371-L374 PolarHBondContact O-N 3Å; L372-L374 VanDerWaalsContact C-N 3.29Å; L372-L374 PolarHBondContact O-N 3.34Å; L374-E376 VanDerWaalsContact C-N 3.28Å; L374-E376 PolarHBondContact O-N 3.29Å; L374-R475 HydrophobicContact CD2-CB 4.5Å; L374-R475 PolarHBondContact O-NH1 3.12Å; L374-R475 PolarHBondContact O-NH2 3.03Å
375	A	90.6	Very high	92.5	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.008	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	6.3	-174.2	0	0	0	0	0	114.1	L371 L372 D377 V380 T384 M404 M482	L371-A375 VanDerWaalsContact O-CB 3.24Å; L371-A375 WeakPolarHBondContact O-CB 3.48Å; L371-A375 PolarHBondContact O-N 3.44Å; L372-A375 CarbonylContact O-C 3.55Å; L372-A375 PolarHBondContact O-N 2.93Å; A375-D377 PolarHBondContact O-N 3.19Å; A375-V380 HydrophobicContact CB-CG2 4.38Å; A375-T384 HydrophobicContact CB-CG2 3.99Å; A375-T384 VanDerWaalsContact CB-OG1 3.29Å; A375-T384 WeakPolarHBondContact CB-OG1 3.47Å; A375-T384 PolarHBondContact O-OG1 3.34Å; A375-T384 VanDerWaalsContact O-OG1 3.04Å; A375-M404 HydrophobicContact CB-CE 4.11Å; A375-M482 HydrophobicContact CB-SD 3.95Å
376	E	86.6	Confident	92.4	Very high	150 Å²	150	37.1 Å²	37.1	70%	0.701	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-9.2	166.7	-73.5	-179.9	171.6	0	0	112.8	L372 L374 S378	L372-E376 PolarHBondContact O-N 3.3Å; L372-E376 VanDerWaalsContact O-N 3.11Å; L374-E376 VanDerWaalsContact C-N 3.28Å; L374-E376 PolarHBondContact O-N 3.29Å; E376-S378 PolarHBondContact O-N 2.77Å
377	D	73.4	Confident	92.4	Very high	61 Å²	61	34.7 Å²	34.7	33%	0.326	19%	0.187	S	C	.	.	S	Bend	trans	-58.1	134.1	170.8	-170.3	-33.1	0	0	0	111.5	A375 S379 V380 S381 R475	A375-D377 PolarHBondContact O-N 3.19Å; D377-S379 VanDerWaalsContact CG-OG 3.27Å; D377-S379 PolarHBondContact O-N 3Å; D377-S379 VanDerWaalsContact O-N 3.12Å; D377-S379 PolarHBondContact OD1-N 3.25Å; D377-S379 PolarHBondContact OD1-OG 3.49Å; D377-V380 PolarHBondContact O-N 3.42Å; D377-S381 PolarHBondContact O-N 3.01Å; D377-R475 IonicContact OD2-NH1 4Å
378	S	74.9	Confident	92.3	Very high	91 Å²	91	36.5 Å²	36.5	64%	0.636	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-51.6	-34.3	176.3	63.5	0	0	0	0	113.9	E376 V380 S381 N409	E376-S378 PolarHBondContact O-N 2.77Å; S378-V380 VanDerWaalsContact C-N 3.34Å; S378-V380 PolarHBondContact O-N 2.91Å; S378-S381 PolarHBondContact O-N 2.96Å; S378-S381 PolarHBondContact O-OG 3.31Å; S378-N409 PolarHBondContact O-ND2 2.64Å
379	S	92.6	Very high	92.3	Very high	41 Å²	41	40.3 Å²	40.3	29%	0.287	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-69.8	-22.3	-169.6	57.6	0	0	0	0	115.5	D377 N409	D377-S379 VanDerWaalsContact CG-OG 3.27Å; D377-S379 PolarHBondContact O-N 3Å; D377-S379 VanDerWaalsContact O-N 3.12Å; D377-S379 PolarHBondContact OD1-N 3.25Å; D377-S379 PolarHBondContact OD1-OG 3.49Å; S379-N409 VanDerWaalsContact O-CG 3.23Å; S379-N409 PolarHBondContact O-N 3.19Å; S379-N409 PolarHBondContact O-ND2 3.25Å; S379-N409 PolarHBondContact O-OD1 3.24Å
380	V	94.8	Very high	92.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-124.7	10.8	-179.9	-63.7	0	0	0	0	113.1	A375 D377 S378 T382 A383 T384 A406 L408 M482 T484	A375-V380 HydrophobicContact CB-CG2 4.38Å; D377-V380 PolarHBondContact O-N 3.42Å; S378-V380 VanDerWaalsContact C-N 3.34Å; S378-V380 PolarHBondContact O-N 2.91Å; V380-T382 PolarHBondContact O-N 3.05Å; V380-T382 VanDerWaalsContact O-N 3.13Å; V380-A383 WeakPolarHBondContact O-CB 3.04Å; V380-A383 PolarHBondContact O-N 3.5Å; V380-T384 PolarHBondContact O-N 3.18Å; V380-T384 PolarHBondContact O-OG1 3.19Å; V380-A406 HydrophobicContact CB-CB 4.3Å; V380-A406 HydrophobicContact CG1-CB 4.15Å; V380-L408 HydrophobicContact CG1-CD2 4.47Å; V380-M482 HydrophobicContact CG2-CE 4.24Å; V380-M482 HydrophobicContact CG2-SD 4.02Å; V380-T484 HydrophobicContact CG1-CG2 3.97Å
381	S	93.9	Very high	92.3	Very high	55 Å²	55	40.7 Å²	40.7	39%	0.385	24%	0.235	S	C	.	.	H	α-helix	trans	-53.3	-35.3	-176.5	57	0	0	0	0	114	D377 S378 T384 R385 N409	D377-S381 PolarHBondContact O-N 3.01Å; S378-S381 PolarHBondContact O-N 2.96Å; S378-S381 PolarHBondContact O-OG 3.31Å; S381-T384 PolarHBondContact O-N 2.84Å; S381-R385 PolarHBondContact O-N 3.43Å; S381-N409 PolarHBondContact N-OD1 2.73Å
382	T	94.5	Very high	92.4	Very high	35 Å²	35	41.1 Å²	41.1	22%	0.215	24%	0.237	C	C	.	.	H	α-helix	trans	-63.3	-45.2	175.3	-60.9	0	0	0	0	111.6	V380 R385 L386 N409 F412	V380-T382 PolarHBondContact O-N 3.05Å; V380-T382 VanDerWaalsContact O-N 3.13Å; T382-R385 PolarHBondContact O-N 2.94Å; T382-L386 HydrophobicContact CG2-CD1 4.47Å; T382-L386 WeakPolarHBondContact O-CG 3.27Å; T382-L386 PolarHBondContact O-N 3.03Å; T382-L386 VanDerWaalsContact O-N 3.12Å; T382-N409 PolarHBondContact N-OD1 3.16Å; T382-N409 PolarHBondContact OG1-OD1 3.33Å; T382-F412 HydrophobicContact CG2-CB 4.13Å; T382-F412 HydrophobicContact CG2-CD1 4.41Å; T382-F412 HydrophobicContact CG2-CD2 3.54Å; T382-F412 HydrophobicContact CG2-CE2 3.99Å; T382-F412 HydrophobicContact CG2-CG 3.77Å
383	A	94.9	Very high	92.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.6	-45.7	177.1	0	0	0	0	0	110.7	V380 R385 L386 F387 F412	V380-A383 WeakPolarHBondContact O-CB 3.04Å; V380-A383 PolarHBondContact O-N 3.5Å; A383-R385 VanDerWaalsContact C-N 3.32Å; A383-R385 PolarHBondContact O-N 3.13Å; A383-L386 WeakPolarHBondContact O-CB 3.42Å; A383-L386 PolarHBondContact O-N 3.01Å; A383-F387 HydrophobicContact CB-CE2 4.37Å; A383-F387 WeakPolarHBondContact O-CD2 3.05Å; A383-F387 PolarHBondContact O-N 3.32Å; A383-F412 HydrophobicContact CB-CE2 3.95Å; A383-F412 HydrophobicContact CB-CZ 3.91Å
384	T	94.8	Very high	92.5	Very high	14 Å²	14	43 Å²	43	9%	0.086	26%	0.257	C	S	.	.	H	α-helix	trans	-53.7	-48.2	177.3	-50.4	0	0	0	0	111.4	L372 A375 V380 S381 L386 F387 V388	L372-T384 HydrophobicContact CD1-CG2 3.67Å; A375-T384 HydrophobicContact CB-CG2 3.99Å; A375-T384 VanDerWaalsContact CB-OG1 3.29Å; A375-T384 WeakPolarHBondContact CB-OG1 3.47Å; A375-T384 PolarHBondContact O-OG1 3.34Å; A375-T384 VanDerWaalsContact O-OG1 3.04Å; V380-T384 PolarHBondContact O-N 3.18Å; V380-T384 PolarHBondContact O-OG1 3.19Å; S381-T384 PolarHBondContact O-N 2.84Å; T384-L386 PolarHBondContact O-N 3.07Å; T384-F387 PolarHBondContact O-N 3.36Å; T384-V388 WeakPolarHBondContact O-CG2 3.38Å; T384-V388 PolarHBondContact O-N 3.22Å; T384-V388 VanDerWaalsContact O-N 3.12Å
385	R	94.3	Very high	92.6	Very high	128 Å²	128	44.9 Å²	44.9	48%	0.483	27%	0.266	S	S	.	.	H	α-helix	trans	-59.3	-43.9	175.7	-177.1	-178.4	62.2	141.4	3.5	112	S381 T382 A383 F387 V388 D389	S381-R385 PolarHBondContact O-N 3.43Å; T382-R385 PolarHBondContact O-N 2.94Å; A383-R385 VanDerWaalsContact C-N 3.32Å; A383-R385 PolarHBondContact O-N 3.13Å; R385-F387 VanDerWaalsContact C-N 3.34Å; R385-F387 PolarHBondContact O-N 3.4Å; R385-V388 WeakPolarHBondContact O-CB 3.2Å; R385-V388 PolarHBondContact O-N 3.2Å; R385-V388 VanDerWaalsContact O-N 3.17Å; R385-D389 WeakPolarHBondContact O-CB 3.13Å; R385-D389 VanDerWaalsContact O-CG 3.31Å; R385-D389 PolarHBondContact O-N 2.94Å
386	L	95.4	Very high	92.8	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-64.4	-35.3	178.7	-69.7	174	0	0	0	112.9	T382 A383 T384 A390 F412 V416 M418 L422 M426	T382-L386 HydrophobicContact CG2-CD1 4.47Å; T382-L386 WeakPolarHBondContact O-CG 3.27Å; T382-L386 PolarHBondContact O-N 3.03Å; T382-L386 VanDerWaalsContact O-N 3.12Å; A383-L386 WeakPolarHBondContact O-CB 3.42Å; A383-L386 PolarHBondContact O-N 3.01Å; T384-L386 PolarHBondContact O-N 3.07Å; L386-A390 WeakPolarHBondContact O-CB 3.36Å; L386-A390 PolarHBondContact O-N 3.44Å; L386-F412 HydrophobicContact CD1-CD1 3.92Å; L386-F412 HydrophobicContact CD1-CE1 3.42Å; L386-F412 VanDerWaalsContact CD1-CE1 3.42Å; L386-F412 HydrophobicContact CD1-CZ 3.92Å; L386-V416 HydrophobicContact CD1-CG1 4.24Å; L386-V416 HydrophobicContact CD2-CG1 4.11Å; L386-M418 HydrophobicContact CB-CE 4.26Å; L386-M418 HydrophobicContact CD2-CE 3.87Å; L386-M418 WeakPolarHBondContact O-CE 3.46Å; L386-L422 HydrophobicContact CD2-CD2 4.09Å; L386-M426 HydrophobicContact CB-CE 3.85Å; L386-M426 HydrophobicContact CB-CG 4.27Å; L386-M426 HydrophobicContact CB-SD 4.03Å; L386-M426 HydrophobicContact CD1-SD 4.44Å
387	F	95.8	Very high	93.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-64.1	-42.7	172.2	-75.8	-75.8	0	0	0	111.7	A383 T384 R385 A390 G391 L392 L396 M404 M426 H429 L430	A383-F387 HydrophobicContact CB-CE2 4.37Å; A383-F387 WeakPolarHBondContact O-CD2 3.05Å; A383-F387 PolarHBondContact O-N 3.32Å; T384-F387 PolarHBondContact O-N 3.36Å; R385-F387 VanDerWaalsContact C-N 3.34Å; R385-F387 PolarHBondContact O-N 3.4Å; F387-A390 PolarHBondContact O-N 3.3Å; F387-G391 PolarHBondContact O-N 3.1Å; F387-L392 HydrophobicContact CD1-CB 4.47Å; F387-L392 HydrophobicContact CD1-CD1 3.77Å; F387-L392 HydrophobicContact CE1-CD1 4.44Å; F387-L392 WeakPolarHBondContact O-CB 3.31Å; F387-L392 PolarHBondContact O-N 2.78Å; F387-L396 HydrophobicContact CB-CD1 3.75Å; F387-L396 HydrophobicContact CG-CD1 4.47Å; F387-M404 HydrophobicContact CD2-CE 3.7Å; F387-M404 HydrophobicContact CD2-SD 4.07Å; F387-M404 HydrophobicContact CE2-CE 3.5Å; F387-M404 VanDerWaalsContact CE2-CE 3.5Å; F387-M404 HydrophobicContact CE2-CG 3.94Å; F387-M404 HydrophobicContact CE2-SD 3.88Å; F387-M404 HydrophobicContact CZ-CE 4.39Å; F387-M404 HydrophobicContact CZ-CG 3.89Å; F387-M404 HydrophobicContact CZ-SD 4.29Å; F387-M426 HydrophobicContact CD1-CB 4.35Å; F387-M426 HydrophobicContact CD1-CE 3.78Å; F387-M426 HydrophobicContact CD2-CE 3.49Å; F387-M426 VanDerWaalsContact CD2-CE 3.49Å; F387-M426 HydrophobicContact CE1-CB 4.45Å; F387-M426 HydrophobicContact CE1-CE 3.7Å; F387-M426 VanDerWaalsContact CE1-O 3.28Å; F387-M426 WeakPolarHBondContact CE1-O 3.12Å; F387-M426 HydrophobicContact CE2-CE 3.37Å; F387-M426 HydrophobicContact CG-CE 3.67Å; F387-M426 HydrophobicContact CZ-CE 3.5Å; F387-M426 VanDerWaalsContact CZ-CE 3.5Å; F387-H429 HydrophobicContact CE1-CB 3.88Å; F387-H429 HydrophobicContact CZ-CB 3.57Å; F387-L430 HydrophobicContact CD1-CD1 4.48Å; F387-L430 HydrophobicContact CD1-CD2 4.42Å; F387-L430 HydrophobicContact CD1-CG 4.37Å; F387-L430 HydrophobicContact CE1-CD1 4.43Å; F387-L430 HydrophobicContact CE1-CD2 3.89Å; F387-L430 HydrophobicContact CE1-CG 3.85Å; F387-L430 HydrophobicContact CZ-CD2 4.45Å
388	V	95.5	Very high	94.1	Very high	58 Å²	58	39.1 Å²	39.1	35%	0.352	25%	0.248	S	C	.	.	H	α-helix	trans	-62.5	-49.6	176.4	173.1	0	0	0	0	110.8	T384 R385 A390 G391	T384-V388 WeakPolarHBondContact O-CG2 3.38Å; T384-V388 PolarHBondContact O-N 3.22Å; T384-V388 VanDerWaalsContact O-N 3.12Å; R385-V388 WeakPolarHBondContact O-CB 3.2Å; R385-V388 PolarHBondContact O-N 3.2Å; R385-V388 VanDerWaalsContact O-N 3.17Å; V388-A390 PolarHBondContact O-N 3.1Å; V388-G391 WeakPolarHBondContact O-CA 3.14Å; V388-G391 PolarHBondContact O-N 3.33Å
389	D	95.6	Very high	95	Very high	81 Å²	81	38.9 Å²	38.9	43%	0.433	25%	0.246	S	C	.	.	H	α-helix	trans	-63.2	-28.6	178.9	-69.4	-14.5	0	0	0	112.5	R385 G391 M418	R385-D389 WeakPolarHBondContact O-CB 3.13Å; R385-D389 VanDerWaalsContact O-CG 3.31Å; R385-D389 PolarHBondContact O-N 2.94Å; D389-G391 PolarHBondContact O-N 3.07Å; D389-M418 HydrophobicContact CB-CE 3.69Å
390	A	96.4	Very high	95.1	Very high	7 Å²	7	40.8 Å²	40.8	6%	0.058	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-9.9	173.9	0	0	0	0	0	113	L386 F387 V388 L392 M418 R423 M426	L386-A390 WeakPolarHBondContact O-CB 3.36Å; L386-A390 PolarHBondContact O-N 3.44Å; F387-A390 PolarHBondContact O-N 3.3Å; V388-A390 PolarHBondContact O-N 3.1Å; A390-L392 HydrophobicContact CB-CD1 3.94Å; A390-L392 HydrophobicContact CB-CG 4.09Å; A390-M418 HydrophobicContact CB-CE 3.98Å; A390-M418 HydrophobicContact CB-SD 4.3Å; A390-R423 HydrophobicContact CB-CG 4.04Å; A390-R423 PolarHBondContact O-NH1 3.41Å; A390-M426 HydrophobicContact CB-CB 4.06Å; A390-M426 HydrophobicContact CB-CG 4.42Å
391	G	96.4	Very high	95.2	Very high	54 Å²	54	43.6 Å²	43.6	56%	0.557	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.8	25.3	-176.7	0	0	0	0	0	113.6	F387 V388 D389	F387-G391 PolarHBondContact O-N 3.1Å; V388-G391 WeakPolarHBondContact O-CA 3.14Å; V388-G391 PolarHBondContact O-N 3.33Å; D389-G391 PolarHBondContact O-N 3.07Å
392	L	96.8	Very high	95.4	Very high	13 Å²	13	41.1 Å²	41.1	7%	0.068	26%	0.256	C	S	.	.			trans	-98.3	9.3	-176.2	-59.6	169	0	0	0	113.2	F387 A390 S394 H395 M426 K427 L430	F387-L392 HydrophobicContact CD1-CB 4.47Å; F387-L392 HydrophobicContact CD1-CD1 3.77Å; F387-L392 HydrophobicContact CE1-CD1 4.44Å; F387-L392 WeakPolarHBondContact O-CB 3.31Å; F387-L392 PolarHBondContact O-N 2.78Å; A390-L392 HydrophobicContact CB-CD1 3.94Å; A390-L392 HydrophobicContact CB-CG 4.09Å; L392-S394 PolarHBondContact O-N 3.12Å; L392-H395 WeakPolarHBondContact O-CB 3.39Å; L392-H395 PolarHBondContact O-N 2.79Å; L392-M426 HydrophobicContact CD1-CB 4.01Å; L392-K427 HydrophobicContact CD1-CB 4.41Å; L392-K427 HydrophobicContact CD2-CG 4.3Å; L392-L430 HydrophobicContact CB-CD1 4.35Å; L392-L430 HydrophobicContact CD1-CD1 4.21Å; L392-L430 HydrophobicContact CD2-CD1 4.49Å
393	S	95.4	Very high	95.6	Very high	40 Å²	40	39.5 Å²	39.5	28%	0.28	25%	0.246	S	C	.	.	H	α-helix	trans	-55.5	-35.5	-176	-53.6	0	0	0	0	113.8	H395 L396 T397	S393-H395 PolarHBondContact O-N 2.98Å; S393-L396 PolarHBondContact O-N 3.26Å; S393-T397 PolarHBondContact O-N 2.75Å; S393-T397 PolarHBondContact O-OG1 2.84Å
394	S	95.8	Very high	95.7	Very high	74 Å²	74	39.5 Å²	39.5	52%	0.517	25%	0.246	S	C	.	.	H	α-helix	trans	-61	-32.7	178.5	57.5	0	0	0	0	112.9	L392 L396 G398	L392-S394 PolarHBondContact O-N 3.12Å; S394-L396 VanDerWaalsContact C-N 3.32Å; S394-G398 WeakPolarHBondContact O-CA 3.34Å; S394-G398 PolarHBondContact O-N 3.21Å
395	H	96.2	Very high	95.9	Very high	39 Å²	39	38.8 Å²	38.8	18%	0.181	24%	0.242	C	C	.	.	H	α-helix	trans	-75.3	-23.9	175.1	-62.3	-57	0	0	0	112.2	L392 S393 E400 L402 L430	L392-H395 WeakPolarHBondContact O-CB 3.39Å; L392-H395 PolarHBondContact O-N 2.79Å; S393-H395 PolarHBondContact O-N 2.98Å; H395-E400 IonicContact CE1-OE1 3.63Å; H395-E400 PolarHBondContact CE1-OE1 2.72Å; H395-E400 IonicContact CE1-OE2 2.7Å; H395-E400 IonicContact CG-OE1 3.19Å; H395-E400 VanDerWaalsContact ND1-CD 3.35Å; H395-E400 IonicContact ND1-OE1 2.94Å; H395-E400 PolarHBondContact ND1-OE1 3.34Å; H395-E400 IonicContact ND1-OE2 3.64Å; H395-E400 PolarHBondContact ND1-OE2 2.55Å; H395-L402 HydrophobicContact CB-CD1 3.8Å; H395-L430 HydrophobicContact CB-CD1 4Å
396	L	94.9	Very high	96	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-84.9	-31	-179.9	-56	-173.6	0	0	0	112.8	T370 L371 L372 F387 S393 S394 M404 L430	T370-L396 WeakPolarHBondContact CB-O 3.45Å; L371-L396 HydrophobicContact CB-CB 4.38Å; L371-L396 HydrophobicContact CB-CD2 4.19Å; L371-L396 WeakPolarHBondContact CB-O 3.24Å; L371-L396 HydrophobicContact CD1-CD2 4.18Å; L371-L396 PolarHBondContact N-O 3.11Å; L371-L396 VanDerWaalsContact N-O 3.12Å; L372-L396 HydrophobicContact CB-CB 3.95Å; L372-L396 HydrophobicContact CD1-CD1 4.17Å; L372-L396 PolarHBondContact N-O 3.14Å; F387-L396 HydrophobicContact CB-CD1 3.75Å; F387-L396 HydrophobicContact CG-CD1 4.47Å; S393-L396 PolarHBondContact O-N 3.26Å; S394-L396 VanDerWaalsContact C-N 3.32Å; L396-M404 HydrophobicContact CD2-SD 3.63Å; L396-L430 HydrophobicContact CD2-CD2 4.44Å
397	T	94.3	Very high	96.1	Very high	62 Å²	62	32.7 Å²	32.7	38%	0.38	22%	0.219	S	C	.	.	H	α-helix	trans	-99.1	-17.6	179.5	59.1	0	0	0	0	113.5	L372 S393	L372-T397 HydrophobicContact CB-CG2 4.05Å; L372-T397 HydrophobicContact CD2-CG2 3.53Å; L372-T397 HydrophobicContact CG-CG2 4.45Å; S393-T397 PolarHBondContact O-N 2.75Å; S393-T397 PolarHBondContact O-OG1 2.84Å
398	G	92.4	Very high	96.1	Very high	28 Å²	28	35.1 Å²	35.1	29%	0.289	23%	0.232	S	C	.	.	S	Bend	trans	-73.8	-177.4	-177.8	0	0	0	0	0	114.6	S394	S394-G398 WeakPolarHBondContact O-CA 3.34Å; S394-G398 PolarHBondContact O-N 3.21Å
399	S	95	Very high	96	Very high	85 Å²	85	34.4 Å²	34.4	59%	0.594	23%	0.226	S	C	*	.			trans	-103.1	19.6	179.3	64	0	0	0	0	113.5
400	E	94.8	Very high	95.9	Very high	82 Å²	82	38 Å²	38	38%	0.383	25%	0.245	S	C	.	.			trans	-72.9	137.4	-179.6	-67.4	178.4	-117.7	0	0	111	H395 L402	H395-E400 IonicContact CE1-OE1 3.63Å; H395-E400 PolarHBondContact CE1-OE1 2.72Å; H395-E400 IonicContact CE1-OE2 2.7Å; H395-E400 IonicContact CG-OE1 3.19Å; H395-E400 VanDerWaalsContact ND1-CD 3.35Å; H395-E400 IonicContact ND1-OE1 2.94Å; H395-E400 PolarHBondContact ND1-OE1 3.34Å; H395-E400 IonicContact ND1-OE2 3.64Å; H395-E400 PolarHBondContact ND1-OE2 2.55Å; E400-L402 HydrophobicContact CB-CD1 3.81Å; E400-L402 HydrophobicContact CB-CD2 4.49Å; E400-L402 HydrophobicContact CB-CG 3.82Å; E400-L402 PolarHBondContact O-N 2.78Å
401	A	96.8	Very high	95.7	Very high	58 Å²	58	38.9 Å²	38.9	48%	0.479	25%	0.253	S	S	.	.			trans	-74.7	96.9	175.6	0	0	0	0	0	110.8	K432 Q433 Q434 F479	A401-K432 CarbonylContact O-C 3.42Å; A401-Q433 CarbonylContact O-C 3.48Å; A401-Q433 WeakPolarHBondContact O-CA 3.3Å; A401-Q433 PolarHBondContact O-N 3.18Å; A401-Q434 HydrophobicContact CB-CB 4.38Å; A401-F479 VanDerWaalsContact CA-O 3.29Å; A401-F479 WeakPolarHBondContact CA-O 3.43Å
402	L	97.2	Very high	95.5	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.021	23%	0.232	C	C	.	.			trans	-131.5	162.7	-172.5	-61.8	174.8	0	0	0	112.6	L371 H395 E400 L431 Q433 Q434 L449 A480 T481	L371-L402 HydrophobicContact CD1-CB 4.5Å; H395-L402 HydrophobicContact CB-CD1 3.8Å; E400-L402 HydrophobicContact CB-CD1 3.81Å; E400-L402 HydrophobicContact CB-CD2 4.49Å; E400-L402 HydrophobicContact CB-CG 3.82Å; E400-L402 PolarHBondContact O-N 2.78Å; L402-L431 WeakPolarHBondContact CA-O 3.34Å; L402-L431 WeakPolarHBondContact CD2-O 3.29Å; L402-Q433 CarbonylContact C-O 3.49Å; L402-Q434 WeakPolarHBondContact O-CA 3.38Å; L402-L449 HydrophobicContact CD1-CD1 4.26Å; L402-L449 HydrophobicContact CD2-CD1 4.07Å; L402-L449 HydrophobicContact CD2-CD2 4.1Å; L402-L449 HydrophobicContact CD2-CG 4.28Å; L402-A480 HydrophobicContact CB-CB 4.04Å; L402-A480 CarbonylContact O-C 3.59Å; L402-A480 WeakPolarHBondContact O-CA 3.46Å; L402-A480 WeakPolarHBondContact O-CB 3.44Å; L402-T481 PolarHBondContact O-N 3.4Å
403	T	98.3	Very high	94.4	Very high	0 Å²	0	46 Å²	46	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	120.8	164.1	-55.8	0	0	0	0	109.2	L431 Q433 L435 T481 F483	T403-L431 HydrophobicContact CG2-CD1 4.29Å; T403-L431 PolarHBondContact N-O 3.04Å; T403-L431 VanDerWaalsContact N-O 3.13Å; T403-L431 PolarHBondContact O-N 3.33Å; T403-Q433 WeakPolarHBondContact CB-O 3.5Å; T403-Q433 PolarHBondContact N-O 2.89Å; T403-Q433 PolarHBondContact OG1-O 2.74Å; T403-L435 WeakPolarHBondContact OG1-CB 3.37Å; T403-L435 PolarHBondContact OG1-N 3.33Å; T403-T481 CarbonylContact C-O 3.6Å; T403-T481 WeakPolarHBondContact CA-O 3.38Å; T403-F483 HydrophobicContact CG2-CD1 4.04Å; T403-F483 HydrophobicContact CG2-CD2 3.69Å; T403-F483 HydrophobicContact CG2-CE1 4.01Å; T403-F483 HydrophobicContact CG2-CE2 3.66Å; T403-F483 HydrophobicContact CG2-CG 3.86Å; T403-F483 HydrophobicContact CG2-CZ 3.82Å
404	M	97.7	Very high	93.3	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	122.7	176.4	176.1	170.7	142.9	0	0	109.8	L371 A375 F387 L396 A406 L430 T481 M482 F483	L371-M404 HydrophobicContact CD1-CB 4.04Å; L371-M404 HydrophobicContact CD2-CB 4.05Å; A375-M404 HydrophobicContact CB-CE 4.11Å; F387-M404 HydrophobicContact CD2-CE 3.7Å; F387-M404 HydrophobicContact CD2-SD 4.07Å; F387-M404 HydrophobicContact CE2-CE 3.5Å; F387-M404 VanDerWaalsContact CE2-CE 3.5Å; F387-M404 HydrophobicContact CE2-CG 3.94Å; F387-M404 HydrophobicContact CE2-SD 3.88Å; F387-M404 HydrophobicContact CZ-CE 4.39Å; F387-M404 HydrophobicContact CZ-CG 3.89Å; F387-M404 HydrophobicContact CZ-SD 4.29Å; L396-M404 HydrophobicContact CD2-SD 3.63Å; M404-A406 HydrophobicContact CE-CB 3.54Å; M404-A406 HydrophobicContact CG-CB 4.28Å; M404-L430 HydrophobicContact CB-CD2 3.92Å; M404-L430 HydrophobicContact CG-CD2 4.07Å; M404-T481 PolarHBondContact N-O 3.48Å; M404-M482 HydrophobicContact CE-SD 4.16Å; M404-M482 CarbonylContact O-C 3.59Å; M404-M482 WeakPolarHBondContact O-CA 3.36Å; M404-F483 PolarHBondContact O-N 3.34Å
405	L	98.1	Very high	92.3	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	101.3	170.3	-58.8	-173.7	0	0	0	107.5	P407 H429 L431 L454 I465 F483 L485 L489	L405-P407 WeakPolarHBondContact O-CD 3.33Å; L405-H429 HydrophobicContact CB-CB 4.11Å; L405-H429 VanDerWaalsContact CB-O 3.31Å; L405-H429 WeakPolarHBondContact CB-O 3.27Å; L405-H429 PolarHBondContact N-O 3.31Å; L405-H429 WeakPolarHBondContact O-CB 3.04Å; L405-H429 PolarHBondContact O-CD2 3.1Å; L405-H429 VanDerWaalsContact O-CD2 3.25Å; L405-L431 HydrophobicContact CD1-CD1 4.35Å; L405-L431 HydrophobicContact CD1-CD2 4.22Å; L405-L431 HydrophobicContact CD1-CG 4.31Å; L405-L431 HydrophobicContact CD2-CD1 4.04Å; L405-L431 HydrophobicContact CG-CD1 4.28Å; L405-L431 HydrophobicContact CG-CG 4.26Å; L405-L454 HydrophobicContact CD1-CD1 3.87Å; L405-I465 HydrophobicContact CD1-CD1 4.39Å; L405-I465 HydrophobicContact CD1-CG2 4.26Å; L405-I465 HydrophobicContact CD2-CD1 3.66Å; L405-F483 HydrophobicContact CD2-CB 4Å; L405-F483 HydrophobicContact CD2-CD2 3.75Å; L405-F483 HydrophobicContact CD2-CG 4.32Å; L405-L485 HydrophobicContact CB-CD1 3.69Å; L405-L485 HydrophobicContact CB-CG 4.48Å; L405-L485 HydrophobicContact CD2-CD1 4.47Å; L405-L485 HydrophobicContact CG-CD1 4.44Å; L405-L489 HydrophobicContact CD1-CD2 4.48Å
406	A	97.1	Very high	91.8	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	104.2	-172.6	0	0	0	0	0	110.8	V380 M404 M482 F483 T484 L485	V380-A406 HydrophobicContact CB-CB 4.3Å; V380-A406 HydrophobicContact CG1-CB 4.15Å; M404-A406 HydrophobicContact CE-CB 3.54Å; M404-A406 HydrophobicContact CG-CB 4.28Å; A406-M482 HydrophobicContact CB-CG 3.78Å; A406-M482 HydrophobicContact CB-SD 3.89Å; A406-F483 PolarHBondContact N-O 2.96Å; A406-T484 CarbonylContact O-C 3.44Å; A406-T484 WeakPolarHBondContact O-CA 3.33Å; A406-L485 PolarHBondContact O-N 2.89Å
407	P	96.9	Very high	91.4	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	143.3	173.9	-20.5	33.3	0	0	0	111.7	L405 A411 F412 L485 V488	L405-P407 WeakPolarHBondContact O-CD 3.33Å; P407-A411 HydrophobicContact CB-CB 3.8Å; P407-F412 HydrophobicContact CB-CE2 3.87Å; P407-F412 HydrophobicContact CB-CZ 3.86Å; P407-F412 HydrophobicContact CG-CE2 4.49Å; P407-F412 HydrophobicContact CG-CZ 4Å; P407-L485 CarbonylContact C-O 3.57Å; P407-L485 WeakPolarHBondContact CA-O 3.48Å; P407-V488 HydrophobicContact CB-CG2 4.21Å; P407-V488 HydrophobicContact CG-CB 4.44Å; P407-V488 HydrophobicContact CG-CG2 4.2Å
408	L	95.9	Very high	91.4	Very high	51 Å²	51	59.3 Å²	59.3	27%	0.267	34%	0.336	S	S	.	.			trans	-57.9	153.7	169	-71.8	170.8	0	0	0	110.9	V380 D410 A411 A471 T484 L485	V380-L408 HydrophobicContact CG1-CD2 4.47Å; L408-D410 PolarHBondContact O-N 2.94Å; L408-A411 WeakPolarHBondContact O-CB 3.34Å; L408-A411 PolarHBondContact O-N 2.92Å; L408-A471 HydrophobicContact CD1-CB 3.84Å; L408-T484 HydrophobicContact CD2-CG2 3.43Å; L408-T484 VanDerWaalsContact CD2-CG2 3.43Å; L408-T484 HydrophobicContact CG-CG2 3.76Å; L408-L485 WeakPolarHBondContact CG-O 3.36Å; L408-L485 PolarHBondContact N-O 2.75Å
409	N	94.1	Very high	91.5	Very high	44 Å²	44	60.8 Å²	60.8	24%	0.235	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-54.3	-39.8	177.9	-65.5	-23.3	0	0	0	113	S378 S379 S381 T382 A411 F412	S378-N409 PolarHBondContact O-ND2 2.64Å; S379-N409 VanDerWaalsContact O-CG 3.23Å; S379-N409 PolarHBondContact O-N 3.19Å; S379-N409 PolarHBondContact O-ND2 3.25Å; S379-N409 PolarHBondContact O-OD1 3.24Å; S381-N409 PolarHBondContact N-OD1 2.73Å; T382-N409 PolarHBondContact N-OD1 3.16Å; T382-N409 PolarHBondContact OG1-OD1 3.33Å; N409-A411 PolarHBondContact O-N 2.82Å; N409-F412 PolarHBondContact O-N 3.49Å; N409-F412 VanDerWaalsContact O-N 3.09Å
410	D	92.9	Very high	91.5	Very high	157 Å²	157	61.9 Å²	61.9	84%	0.84	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-66.7	-14.8	-179.4	-65.1	-11.4	0	0	0	113	L408 F412	L408-D410 PolarHBondContact O-N 2.94Å; D410-F412 PolarHBondContact O-N 3.32Å
411	A	92.8	Very high	91.4	Very high	25 Å²	25	64.2 Å²	64.2	21%	0.207	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-69.7	-21.7	173.8	0	0	0	0	0	112.5	P407 L408 N409 V488	P407-A411 HydrophobicContact CB-CB 3.8Å; L408-A411 WeakPolarHBondContact O-CB 3.34Å; L408-A411 PolarHBondContact O-N 2.92Å; N409-A411 PolarHBondContact O-N 2.82Å; A411-V488 HydrophobicContact CB-CG2 4.22Å
412	F	91.6	Very high	91.3	Very high	27 Å²	27	62.5 Å²	62.5	12%	0.118	34%	0.342	C	S	.	.	S	Bend	trans	-94.5	105.7	179.4	-57.2	-81.9	0	0	0	109.5	T382 A383 L386 P407 N409 D410 V416 V488	T382-F412 HydrophobicContact CG2-CB 4.13Å; T382-F412 HydrophobicContact CG2-CD1 4.41Å; T382-F412 HydrophobicContact CG2-CD2 3.54Å; T382-F412 HydrophobicContact CG2-CE2 3.99Å; T382-F412 HydrophobicContact CG2-CG 3.77Å; A383-F412 HydrophobicContact CB-CE2 3.95Å; A383-F412 HydrophobicContact CB-CZ 3.91Å; L386-F412 HydrophobicContact CD1-CD1 3.92Å; L386-F412 HydrophobicContact CD1-CE1 3.42Å; L386-F412 VanDerWaalsContact CD1-CE1 3.42Å; L386-F412 HydrophobicContact CD1-CZ 3.92Å; P407-F412 HydrophobicContact CB-CE2 3.87Å; P407-F412 HydrophobicContact CB-CZ 3.86Å; P407-F412 HydrophobicContact CG-CE2 4.49Å; P407-F412 HydrophobicContact CG-CZ 4Å; N409-F412 PolarHBondContact O-N 3.49Å; N409-F412 VanDerWaalsContact O-N 3.09Å; D410-F412 PolarHBondContact O-N 3.32Å; F412-V416 HydrophobicContact CB-CG2 4.04Å; F412-V416 HydrophobicContact CD1-CG2 4.07Å; F412-V416 HydrophobicContact CG-CG2 4.47Å; F412-V488 HydrophobicContact CD1-CG2 3.73Å; F412-V488 HydrophobicContact CE1-CG2 3.5Å; F412-V488 VanDerWaalsContact CE1-CG2 3.5Å; F412-V488 HydrophobicContact CG-CG2 4.44Å; F412-V488 HydrophobicContact CZ-CG2 4.03Å
413	K	73.9	Confident	91.2	Very high	190 Å²	190	68.3 Å²	68.3	83%	0.826	36%	0.364	S	S	*	.			trans	-79.7	126.3	172.6	-61.6	-179	-177.1	176.8	0	108.5
414	E	72	Confident	91.1	Very high	181 Å²	181	70.8 Å²	70.8	85%	0.846	39%	0.385	S	S	*	.	S	Bend	trans	66.6	179.9	178.1	-52.4	-178.5	173.1	0	0	115.5	V416	E414-V416 PolarHBondContact O-N 3.08Å
415	S	75.3	Confident	91	Very high	113 Å²	113	72.6 Å²	72.6	79%	0.79	39%	0.394	S	S	*	.			trans	-71.7	109	177.4	61.7	0	0	0	0	110.4
416	V	85	Confident	90.9	Very high	41 Å²	41	72.6 Å²	72.6	25%	0.248	39%	0.394	C	S	.	.			trans	-81.1	126.9	178.4	-175.9	0	0	0	0	110.7	L386 F412 E414 L422	L386-V416 HydrophobicContact CD1-CG1 4.24Å; L386-V416 HydrophobicContact CD2-CG1 4.11Å; F412-V416 HydrophobicContact CB-CG2 4.04Å; F412-V416 HydrophobicContact CD1-CG2 4.07Å; F412-V416 HydrophobicContact CG-CG2 4.47Å; E414-V416 PolarHBondContact O-N 3.08Å; V416-L422 HydrophobicContact CG1-CD2 3.31Å
417	T	87.7	Confident	90.9	Very high	105 Å²	105	77 Å²	77	64%	0.644	41%	0.413	S	S	*	.			trans	-103.6	143.9	173.4	55.4	0	0	0	0	111.4	T419	T417-T419 PolarHBondContact O-N 3.24Å
418	M	93.9	Very high	90.9	Very high	55 Å²	55	77.7 Å²	77.7	27%	0.271	42%	0.417	S	S	.	.			trans	-73.3	106.6	-178.2	-171.9	56.4	65.7	0	0	112.6	L386 D389 A390 L422 R423	L386-M418 HydrophobicContact CB-CE 4.26Å; L386-M418 HydrophobicContact CD2-CE 3.87Å; L386-M418 WeakPolarHBondContact O-CE 3.46Å; D389-M418 HydrophobicContact CB-CE 3.69Å; A390-M418 HydrophobicContact CB-CE 3.98Å; A390-M418 HydrophobicContact CB-SD 4.3Å; M418-L422 HydrophobicContact CE-CD2 4.43Å; M418-L422 HydrophobicContact SD-CB 4.31Å; M418-L422 HydrophobicContact SD-CD2 4.29Å; M418-L422 HydrophobicContact SD-CG 4.16Å; M418-R423 HydrophobicContact SD-CB 3.95Å
419	T	94.5	Very high	91	Very high	58 Å²	58	75.3 Å²	75.3	36%	0.356	40%	0.404	S	S	.	.			trans	-101.3	164.2	172.4	67	0	0	0	0	111.4	T417 D421 L422 R423	T417-T419 PolarHBondContact O-N 3.24Å; T419-D421 VanDerWaalsContact C-N 3.28Å; T419-D421 PolarHBondContact O-N 2.72Å; T419-L422 PolarHBondContact O-N 3.41Å; T419-L422 WeakPolarHBondContact OG1-CB 3.39Å; T419-L422 PolarHBondContact OG1-N 3.03Å; T419-L422 VanDerWaalsContact OG1-N 3.11Å; T419-R423 WeakPolarHBondContact O-CB 3.5Å; T419-R423 PolarHBondContact O-N 2.93Å
420	P	95.2	Very high	91.2	Very high	108 Å²	108	73.2 Å²	73.2	70%	0.701	39%	0.393	S	S	*	.	H	α-helix	trans	-56.4	-40.5	173.4	-26.2	35.8	0	0	0	113.2	R423 A424	P420-R423 WeakPolarHBondContact O-CB 3.38Å; P420-R423 PolarHBondContact O-N 2.97Å; P420-A424 PolarHBondContact O-N 2.72Å
421	D	92.9	Very high	91.5	Very high	132 Å²	132	65.8 Å²	65.8	71%	0.706	35%	0.354	S	S	*	.	H	α-helix	trans	-67.7	-42.3	178.4	-62.1	-29.3	0	0	0	111.5	T419 R423 A424 L425	T419-D421 VanDerWaalsContact C-N 3.28Å; T419-D421 PolarHBondContact O-N 2.72Å; D421-R423 VanDerWaalsContact C-N 3.33Å; D421-R423 PolarHBondContact O-N 2.65Å; D421-A424 PolarHBondContact O-N 3.49Å; D421-L425 WeakPolarHBondContact O-CB 3.32Å; D421-L425 PolarHBondContact O-N 2.85Å
422	L	93.8	Very high	91.6	Very high	22 Å²	22	69.6 Å²	69.6	12%	0.115	37%	0.365	C	S	.	.	H	α-helix	trans	-64.3	-39.8	175.4	-177.4	59.8	0	0	0	111.3	L386 V416 M418 T419 A424 L425 M426	L386-L422 HydrophobicContact CD2-CD2 4.09Å; V416-L422 HydrophobicContact CG1-CD2 3.31Å; M418-L422 HydrophobicContact CE-CD2 4.43Å; M418-L422 HydrophobicContact SD-CB 4.31Å; M418-L422 HydrophobicContact SD-CD2 4.29Å; M418-L422 HydrophobicContact SD-CG 4.16Å; T419-L422 PolarHBondContact O-N 3.41Å; T419-L422 WeakPolarHBondContact OG1-CB 3.39Å; T419-L422 PolarHBondContact OG1-N 3.03Å; T419-L422 VanDerWaalsContact OG1-N 3.11Å; L422-A424 VanDerWaalsContact C-N 3.35Å; L422-A424 PolarHBondContact O-N 2.98Å; L422-L425 HydrophobicContact CD1-CD2 4.19Å; L422-L425 CarbonylContact O-C 3.58Å; L422-L425 WeakPolarHBondContact O-CB 3.4Å; L422-L425 PolarHBondContact O-N 2.94Å; L422-L425 VanDerWaalsContact O-N 3.14Å; L422-M426 HydrophobicContact CD1-CG 4.37Å; L422-M426 HydrophobicContact CD1-SD 4.27Å; L422-M426 HydrophobicContact CG-CG 4.42Å; L422-M426 WeakPolarHBondContact O-CG 3.33Å; L422-M426 PolarHBondContact O-N 3.49Å
423	R	96.1	Very high	91.8	Very high	126 Å²	126	74.2 Å²	74.2	48%	0.475	39%	0.387	S	S	.	.	H	α-helix	trans	-58.9	-46.2	174.8	-176.9	-172.8	-63.3	-110.1	1.9	111.4	A390 M418 T419 P420 D421 L425 M426 K427	A390-R423 HydrophobicContact CB-CG 4.04Å; A390-R423 PolarHBondContact O-NH1 3.41Å; M418-R423 HydrophobicContact SD-CB 3.95Å; T419-R423 WeakPolarHBondContact O-CB 3.5Å; T419-R423 PolarHBondContact O-N 2.93Å; P420-R423 WeakPolarHBondContact O-CB 3.38Å; P420-R423 PolarHBondContact O-N 2.97Å; D421-R423 VanDerWaalsContact C-N 3.33Å; D421-R423 PolarHBondContact O-N 2.65Å; R423-L425 VanDerWaalsContact C-N 3.3Å; R423-L425 PolarHBondContact O-N 3.49Å; R423-M426 PolarHBondContact O-N 3.35Å; R423-K427 PolarHBondContact O-N 2.89Å
424	A	95.8	Very high	93	Very high	52 Å²	52	68.8 Å²	68.8	43%	0.43	37%	0.365	S	S	.	.	H	α-helix	trans	-63.4	-38.7	175.3	0	0	0	0	0	111.6	P420 D421 L422 K427 N428	P420-A424 PolarHBondContact O-N 2.72Å; D421-A424 PolarHBondContact O-N 3.49Å; L422-A424 VanDerWaalsContact C-N 3.35Å; L422-A424 PolarHBondContact O-N 2.98Å; A424-K427 WeakPolarHBondContact O-CB 3.36Å; A424-K427 PolarHBondContact O-N 2.9Å; A424-N428 PolarHBondContact O-N 3.41Å; A424-N428 PolarHBondContact O-ND2 2.62Å; A424-N428 VanDerWaalsContact O-ND2 3.08Å
425	L	95.8	Very high	94.2	Very high	37 Å²	37	61.4 Å²	61.4	19%	0.194	33%	0.331	C	S	.	.	H	α-helix	trans	-64.4	-44.1	176.6	-178.3	60.8	0	0	0	112.3	D421 L422 R423 K427 N428 H429 V488 L489 P491	D421-L425 WeakPolarHBondContact O-CB 3.32Å; D421-L425 PolarHBondContact O-N 2.85Å; L422-L425 HydrophobicContact CD1-CD2 4.19Å; L422-L425 CarbonylContact O-C 3.58Å; L422-L425 WeakPolarHBondContact O-CB 3.4Å; L422-L425 PolarHBondContact O-N 2.94Å; L422-L425 VanDerWaalsContact O-N 3.14Å; R423-L425 VanDerWaalsContact C-N 3.3Å; R423-L425 PolarHBondContact O-N 3.49Å; L425-K427 VanDerWaalsContact C-N 3.28Å; L425-K427 PolarHBondContact O-N 3.08Å; L425-N428 CarbonylContact O-C 3.49Å; L425-N428 WeakPolarHBondContact O-CA 3.23Å; L425-N428 WeakPolarHBondContact O-CB 3.44Å; L425-N428 PolarHBondContact O-N 3.44Å; L425-H429 PolarHBondContact O-N 3.26Å; L425-H429 PolarHBondContact O-ND1 3.46Å; L425-V488 HydrophobicContact CD2-CG1 4Å; L425-L489 WeakPolarHBondContact CD1-O 3.17Å; L425-P491 HydrophobicContact CD1-CG 3.92Å
426	M	96.7	Very high	95.2	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-61.5	-37.7	175.9	-66	-48.8	-63.2	0	0	111.2	L386 F387 A390 L392 L422 R423 N428 H429	L386-M426 HydrophobicContact CB-CE 3.85Å; L386-M426 HydrophobicContact CB-CG 4.27Å; L386-M426 HydrophobicContact CB-SD 4.03Å; L386-M426 HydrophobicContact CD1-SD 4.44Å; F387-M426 HydrophobicContact CD1-CB 4.35Å; F387-M426 HydrophobicContact CD1-CE 3.78Å; F387-M426 HydrophobicContact CD2-CE 3.49Å; F387-M426 VanDerWaalsContact CD2-CE 3.49Å; F387-M426 HydrophobicContact CE1-CB 4.45Å; F387-M426 HydrophobicContact CE1-CE 3.7Å; F387-M426 VanDerWaalsContact CE1-O 3.28Å; F387-M426 WeakPolarHBondContact CE1-O 3.12Å; F387-M426 HydrophobicContact CE2-CE 3.37Å; F387-M426 HydrophobicContact CG-CE 3.67Å; F387-M426 HydrophobicContact CZ-CE 3.5Å; F387-M426 VanDerWaalsContact CZ-CE 3.5Å; A390-M426 HydrophobicContact CB-CB 4.06Å; A390-M426 HydrophobicContact CB-CG 4.42Å; L392-M426 HydrophobicContact CD1-CB 4.01Å; L422-M426 HydrophobicContact CD1-CG 4.37Å; L422-M426 HydrophobicContact CD1-SD 4.27Å; L422-M426 HydrophobicContact CG-CG 4.42Å; L422-M426 WeakPolarHBondContact O-CG 3.33Å; L422-M426 PolarHBondContact O-N 3.49Å; R423-M426 PolarHBondContact O-N 3.35Å; M426-N428 PolarHBondContact O-N 2.86Å; M426-H429 WeakPolarHBondContact O-CB 3.23Å; M426-H429 PolarHBondContact O-N 3.42Å
427	K	97.1	Very high	95.8	Very high	91 Å²	91	57.1 Å²	57.1	40%	0.396	30%	0.303	S	S	.	.	H	α-helix	trans	-61.9	-30.6	172.8	-163	-179.1	-177.2	-172.1	0	112.6	L392 R423 A424 L425 H429 L430 L449 G450	L392-K427 HydrophobicContact CD1-CB 4.41Å; L392-K427 HydrophobicContact CD2-CG 4.3Å; R423-K427 PolarHBondContact O-N 2.89Å; A424-K427 WeakPolarHBondContact O-CB 3.36Å; A424-K427 PolarHBondContact O-N 2.9Å; L425-K427 VanDerWaalsContact C-N 3.28Å; L425-K427 PolarHBondContact O-N 3.08Å; K427-H429 VanDerWaalsContact C-N 3.29Å; K427-L430 PolarHBondContact O-N 3.4Å; K427-L449 VanDerWaalsContact CE-O 3.22Å; K427-L449 WeakPolarHBondContact CE-O 3.49Å; K427-L449 HydrophobicContact CG-CB 4.15Å; K427-G450 PolarHBondContact O-N 2.93Å
428	N	97.1	Very high	96.1	Very high	15 Å²	15	61 Å²	61	8%	0.08	31%	0.311	C	S	.	.	H	α-helix	trans	-78	-10.6	174.9	-74	-50.6	0	0	0	114.3	A424 L425 M426 L430 T448 G450 L452	A424-N428 PolarHBondContact O-N 3.41Å; A424-N428 PolarHBondContact O-ND2 2.62Å; A424-N428 VanDerWaalsContact O-ND2 3.08Å; L425-N428 CarbonylContact O-C 3.49Å; L425-N428 WeakPolarHBondContact O-CA 3.23Å; L425-N428 WeakPolarHBondContact O-CB 3.44Å; L425-N428 PolarHBondContact O-N 3.44Å; M426-N428 PolarHBondContact O-N 2.86Å; N428-L430 VanDerWaalsContact C-N 3.27Å; N428-T448 HydrophobicContact CB-CG2 4.27Å; N428-T448 WeakPolarHBondContact O-CG2 3.15Å; N428-T448 PolarHBondContact OD1-OG1 3.14Å; N428-G450 VanDerWaalsContact OD1-CA 3.24Å; N428-G450 WeakPolarHBondContact OD1-CA 3.5Å; N428-L452 HydrophobicContact CB-CD1 4.23Å; N428-L452 VanDerWaalsContact CG-CD1 3.44Å; N428-L452 VanDerWaalsContact ND2-CD1 3.31Å; N428-L452 WeakPolarHBondContact ND2-CD1 3.34Å; N428-L452 VanDerWaalsContact OD1-CG 3.3Å; N428-L452 WeakPolarHBondContact OD1-CG 3.17Å
429	H	97.9	Very high	96.3	Very high	1 Å²	1	62 Å²	62	1%	0.005	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-0.3	170.3	-72.8	73.6	0	0	0	113	F387 L405 L425 M426 K427 L489	F387-H429 HydrophobicContact CE1-CB 3.88Å; F387-H429 HydrophobicContact CZ-CB 3.57Å; L405-H429 HydrophobicContact CB-CB 4.11Å; L405-H429 VanDerWaalsContact CB-O 3.31Å; L405-H429 WeakPolarHBondContact CB-O 3.27Å; L405-H429 PolarHBondContact N-O 3.31Å; L405-H429 WeakPolarHBondContact O-CB 3.04Å; L405-H429 PolarHBondContact O-CD2 3.1Å; L405-H429 VanDerWaalsContact O-CD2 3.25Å; L425-H429 PolarHBondContact O-N 3.26Å; L425-H429 PolarHBondContact O-ND1 3.46Å; M426-H429 WeakPolarHBondContact O-CB 3.23Å; M426-H429 PolarHBondContact O-N 3.42Å; K427-H429 VanDerWaalsContact C-N 3.29Å; H429-L489 VanDerWaalsContact CE1-CB 3.45Å; H429-L489 WeakPolarHBondContact CE1-CB 3.27Å; H429-L489 WeakPolarHBondContact NE2-CB 3.32Å; H429-L489 PolarHBondContact NE2-N 3.23Å; H429-L489 VanDerWaalsContact NE2-N 3.11Å
430	L	98.1	Very high	96.4	Very high	0 Å²	0	60 Å²	60	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	124.5	172.7	-63.8	176.2	0	0	0	110.1	F387 L392 H395 L396 M404 K427 N428 T448 L449	F387-L430 HydrophobicContact CD1-CD1 4.48Å; F387-L430 HydrophobicContact CD1-CD2 4.42Å; F387-L430 HydrophobicContact CD1-CG 4.37Å; F387-L430 HydrophobicContact CE1-CD1 4.43Å; F387-L430 HydrophobicContact CE1-CD2 3.89Å; F387-L430 HydrophobicContact CE1-CG 3.85Å; F387-L430 HydrophobicContact CZ-CD2 4.45Å; L392-L430 HydrophobicContact CB-CD1 4.35Å; L392-L430 HydrophobicContact CD1-CD1 4.21Å; L392-L430 HydrophobicContact CD2-CD1 4.49Å; H395-L430 HydrophobicContact CB-CD1 4Å; L396-L430 HydrophobicContact CD2-CD2 4.44Å; M404-L430 HydrophobicContact CB-CD2 3.92Å; M404-L430 HydrophobicContact CG-CD2 4.07Å; K427-L430 PolarHBondContact O-N 3.4Å; N428-L430 VanDerWaalsContact C-N 3.27Å; L430-T448 CarbonylContact O-C 3.59Å; L430-T448 WeakPolarHBondContact O-CA 3.47Å; L430-L449 HydrophobicContact CB-CB 4.3Å; L430-L449 HydrophobicContact CB-CD1 3.64Å; L430-L449 HydrophobicContact CB-CG 3.92Å; L430-L449 HydrophobicContact CD1-CD1 3.82Å; L430-L449 HydrophobicContact CG-CD1 4.38Å; L430-L449 PolarHBondContact O-N 2.74Å
431	L	98.3	Very high	96.5	Very high	2 Å²	2	61.7 Å²	61.7	1%	0.01	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	145	177.2	-51.8	179	0	0	0	111	L402 T403 L405 Q433 L435 L446 Q447 T448 L454	L402-L431 WeakPolarHBondContact CA-O 3.34Å; L402-L431 WeakPolarHBondContact CD2-O 3.29Å; T403-L431 HydrophobicContact CG2-CD1 4.29Å; T403-L431 PolarHBondContact N-O 3.04Å; T403-L431 VanDerWaalsContact N-O 3.13Å; T403-L431 PolarHBondContact O-N 3.33Å; L405-L431 HydrophobicContact CD1-CD1 4.35Å; L405-L431 HydrophobicContact CD1-CD2 4.22Å; L405-L431 HydrophobicContact CD1-CG 4.31Å; L405-L431 HydrophobicContact CD2-CD1 4.04Å; L405-L431 HydrophobicContact CG-CD1 4.28Å; L405-L431 HydrophobicContact CG-CG 4.26Å; L431-Q433 PolarHBondContact O-N 3.19Å; L431-L435 HydrophobicContact CD1-CD1 3.89Å; L431-L446 HydrophobicContact CD1-CB 4.22Å; L431-L446 HydrophobicContact CD1-CD1 3.8Å; L431-L446 HydrophobicContact CD2-CB 4.13Å; L431-Q447 WeakPolarHBondContact CA-O 3.21Å; L431-T448 HydrophobicContact CD2-CG2 3.99Å; L431-L454 HydrophobicContact CD2-CD1 4.05Å
432	K	96	Very high	96.6	Very high	104 Å²	104	60.9 Å²	60.9	45%	0.452	30%	0.3	S	S	.	.	S	Bend	trans	-68.3	2.2	-172.9	-75.4	-178	-179.3	178.5	0	116.7	A401 Q447 T448 L449	A401-K432 CarbonylContact O-C 3.42Å; K432-Q447 HydrophobicContact CD-CB 4.14Å; K432-Q447 PolarHBondContact N-O 2.99Å; K432-T448 WeakPolarHBondContact CE-O 3.19Å; K432-L449 HydrophobicContact CG-CD2 3.78Å
433	Q	95.7	Very high	96.5	Very high	125 Å²	125	62 Å²	62	58%	0.584	32%	0.316	S	S	*	.	S	Bend	trans	-143.7	150.9	-174.9	-66.1	-179.4	-5.8	0	0	110	A401 L402 T403 L431 L435	A401-Q433 CarbonylContact O-C 3.48Å; A401-Q433 WeakPolarHBondContact O-CA 3.3Å; A401-Q433 PolarHBondContact O-N 3.18Å; L402-Q433 CarbonylContact C-O 3.49Å; T403-Q433 WeakPolarHBondContact CB-O 3.5Å; T403-Q433 PolarHBondContact N-O 2.89Å; T403-Q433 PolarHBondContact OG1-O 2.74Å; L431-Q433 PolarHBondContact O-N 3.19Å; Q433-L435 HydrophobicContact CB-CD2 4.11Å; Q433-L435 HydrophobicContact CB-CG 4.25Å; Q433-L435 PolarHBondContact O-N 3.39Å
434	Q	97.4	Very high	96.6	Very high	75 Å²	75	57.3 Å²	57.3	35%	0.35	30%	0.3	S	S	.	.			trans	-77	113.4	165.9	-171.9	178.1	25.1	0	0	109.4	A401 L402 G477 F479 T481	A401-Q434 HydrophobicContact CB-CB 4.38Å; L402-Q434 WeakPolarHBondContact O-CA 3.38Å; Q434-G477 PolarHBondContact NE2-O 3.23Å; Q434-G477 VanDerWaalsContact NE2-O 3.14Å; Q434-F479 PolarHBondContact OE1-O 3.22Å; Q434-T481 WeakPolarHBondContact CG-OG1 3.41Å
435	L	97.7	Very high	96.6	Very high	27 Å²	27	61.4 Å²	61.4	14%	0.141	31%	0.31	C	S	.	.			trans	-115	164.3	-175.1	-60.5	170.9	0	0	0	110.3	T403 L431 Q433 L440 L446 T481 F483	T403-L435 WeakPolarHBondContact OG1-CB 3.37Å; T403-L435 PolarHBondContact OG1-N 3.33Å; L431-L435 HydrophobicContact CD1-CD1 3.89Å; Q433-L435 HydrophobicContact CB-CD2 4.11Å; Q433-L435 HydrophobicContact CB-CG 4.25Å; Q433-L435 PolarHBondContact O-N 3.39Å; L435-L440 HydrophobicContact CD1-CD2 4.45Å; L435-L446 HydrophobicContact CD1-CD1 4.43Å; L435-L446 HydrophobicContact CD1-CD2 3.83Å; L435-T481 VanDerWaalsContact O-CB 3.27Å; L435-T481 WeakPolarHBondContact O-CB 3.28Å; L435-T481 WeakPolarHBondContact O-CG2 3.43Å; L435-T481 PolarHBondContact O-OG1 2.85Å; L435-F483 HydrophobicContact CB-CE2 4.44Å; L435-F483 HydrophobicContact CB-CZ 3.98Å
436	S	97.1	Very high	96.7	Very high	45 Å²	45	60 Å²	60	32%	0.315	30%	0.303	S	S	.	.			trans	-121.6	136.5	164	176.6	0	0	0	0	109.3	K438 A439 D474	S436-K438 PolarHBondContact O-N 3.2Å; S436-K438 PolarHBondContact OG-N 3.43Å; S436-A439 PolarHBondContact O-N 2.93Å; S436-D474 WeakPolarHBondContact CA-OD2 3.42Å; S436-D474 PolarHBondContact OG-OD2 2.94Å; S436-D474 VanDerWaalsContact OG-OD2 3.09Å
437	S	96.4	Very high	96.7	Very high	18 Å²	18	65.5 Å²	65.5	13%	0.126	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-58.2	-34	178.7	63.8	0	0	0	0	112	A439 L440 L463 D474 F483	S437-A439 PolarHBondContact O-N 2.9Å; S437-L440 WeakPolarHBondContact O-CB 3.46Å; S437-L440 PolarHBondContact O-N 3.05Å; S437-L440 VanDerWaalsContact O-N 3.13Å; S437-L463 WeakPolarHBondContact O-CD2 3.44Å; S437-D474 WeakPolarHBondContact CB-OD1 3.3Å; S437-D474 PolarHBondContact N-OD2 3.27Å; S437-D474 PolarHBondContact OG-OD1 3.37Å; S437-D474 PolarHBondContact OG-OD2 2.91Å; S437-F483 VanDerWaalsContact N-CZ 3.26Å
438	K	95.4	Very high	96.8	Very high	186 Å²	186	61.1 Å²	61.1	81%	0.809	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-64.8	-22.7	177.8	-62.9	-179.5	-177.5	174.3	0	113.7	S436	S436-K438 PolarHBondContact O-N 3.2Å; S436-K438 PolarHBondContact OG-N 3.43Å
439	A	96.8	Very high	96.7	Very high	76 Å²	76	62 Å²	62	63%	0.628	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-94.5	-5	179.1	0	0	0	0	0	112.8	S436 S437	S436-A439 PolarHBondContact O-N 2.93Å; S437-A439 PolarHBondContact O-N 2.9Å
440	L	97.6	Very high	96.6	Very high	17 Å²	17	63.7 Å²	63.7	9%	0.089	33%	0.331	C	S	.	.			trans	-75	143.3	179.8	-60.4	-175	0	0	0	111.5	L435 S437 Q444 L446 V456 L463 I465 F483	L435-L440 HydrophobicContact CD1-CD2 4.45Å; S437-L440 WeakPolarHBondContact O-CB 3.46Å; S437-L440 PolarHBondContact O-N 3.05Å; S437-L440 VanDerWaalsContact O-N 3.13Å; L440-Q444 VanDerWaalsContact CA-OE1 3.26Å; L440-Q444 VanDerWaalsContact CD2-OE1 3.26Å; L440-L446 HydrophobicContact CD2-CD2 4.2Å; L440-V456 HydrophobicContact CB-CG1 4.04Å; L440-V456 HydrophobicContact CD1-CG1 4.43Å; L440-V456 HydrophobicContact CD1-CG2 4.36Å; L440-L463 HydrophobicContact CB-CD1 4.3Å; L440-L463 HydrophobicContact CB-CD2 4.25Å; L440-L463 HydrophobicContact CD1-CD2 4.19Å; L440-I465 HydrophobicContact CD1-CD1 4.39Å; L440-F483 HydrophobicContact CD1-CE2 3.97Å
441	Y	96.8	Very high	96.4	Very high	143 Å²	143	66.5 Å²	66.5	56%	0.561	36%	0.36	S	S	*	.			trans	-127	158.1	-179.8	62.4	-90.3	0	0	0	112.5	G443 Q444 V456 V458	Y441-G443 PolarHBondContact O-N 3.25Å; Y441-Q444 HydrophobicContact CD1-CB 4.11Å; Y441-Q444 HydrophobicContact CD1-CG 4.26Å; Y441-Q444 HydrophobicContact CD2-CB 3.92Å; Y441-Q444 HydrophobicContact CE1-CB 3.89Å; Y441-Q444 VanDerWaalsContact CE1-CD 3.5Å; Y441-Q444 HydrophobicContact CE1-CG 3.7Å; Y441-Q444 HydrophobicContact CE2-CB 3.69Å; Y441-Q444 HydrophobicContact CE2-CG 4.25Å; Y441-Q444 HydrophobicContact CG-CB 4.12Å; Y441-Q444 WeakPolarHBondContact O-CB 3.43Å; Y441-Q444 PolarHBondContact O-N 3.17Å; Y441-Q444 VanDerWaalsContact O-N 3.13Å; Y441-V456 WeakPolarHBondContact O-CG1 3.49Å; Y441-V458 VanDerWaalsContact C-CG2 3.5Å
442	H	94.9	Very high	96.3	Very high	116 Å²	116	69.7 Å²	69.7	54%	0.537	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	130.4	-176.4	-172.2	92	0	0	0	110.9	Q444 V458	H442-Q444 VanDerWaalsContact C-N 3.28Å; H442-V458 HydrophobicContact CB-CB 4.09Å; H442-V458 HydrophobicContact CB-CG2 4.12Å; H442-V458 VanDerWaalsContact N-CG2 3.28Å; H442-V458 PolarHBondContact ND1-N 3.09Å; H442-V458 PolarHBondContact ND1-O 3.08Å
443	G	92.3	Very high	96.3	Very high	44 Å²	44	67.9 Å²	67.9	45%	0.454	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	81	1.8	-178.2	0	0	0	0	0	114.6	Y441 V456	Y441-G443 PolarHBondContact O-N 3.25Å; G443-V456 PolarHBondContact N-O 3.42Å
444	Q	97	Very high	96.3	Very high	29 Å²	29	62 Å²	62	14%	0.136	35%	0.347	C	S	.	.			trans	-59.8	143.4	173.1	-174.6	176.2	4.9	0	0	110.8	L440 Y441 H442 L446 R455 V456	L440-Q444 VanDerWaalsContact CA-OE1 3.26Å; L440-Q444 VanDerWaalsContact CD2-OE1 3.26Å; Y441-Q444 HydrophobicContact CD1-CB 4.11Å; Y441-Q444 HydrophobicContact CD1-CG 4.26Å; Y441-Q444 HydrophobicContact CD2-CB 3.92Å; Y441-Q444 HydrophobicContact CE1-CB 3.89Å; Y441-Q444 VanDerWaalsContact CE1-CD 3.5Å; Y441-Q444 HydrophobicContact CE1-CG 3.7Å; Y441-Q444 HydrophobicContact CE2-CB 3.69Å; Y441-Q444 HydrophobicContact CE2-CG 4.25Å; Y441-Q444 HydrophobicContact CG-CB 4.12Å; Y441-Q444 WeakPolarHBondContact O-CB 3.43Å; Y441-Q444 PolarHBondContact O-N 3.17Å; Y441-Q444 VanDerWaalsContact O-N 3.13Å; H442-Q444 VanDerWaalsContact C-N 3.28Å; Q444-L446 HydrophobicContact CG-CD2 3.95Å; Q444-R455 CarbonylContact O-C 3.49Å; Q444-R455 WeakPolarHBondContact O-CA 3.46Å; Q444-V456 HydrophobicContact CB-CB 4Å; Q444-V456 HydrophobicContact CB-CG2 3.9Å; Q444-V456 HydrophobicContact CG-CG2 4.43Å; Q444-V456 PolarHBondContact O-N 3.3Å
445	Q	96.4	Very high	96.3	Very high	138 Å²	138	60 Å²	60	65%	0.645	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110	126.6	178	-75.2	-174.1	4.1	0	0	110.2	T453 L454	Q445-T453 HydrophobicContact CB-CG2 3.55Å; Q445-T453 HydrophobicContact CG-CG2 3.86Å; Q445-L454 CarbonylContact C-O 3.59Å; Q445-L454 WeakPolarHBondContact CA-O 3.47Å
446	L	97.4	Very high	96.3	Very high	7 Å²	7	58.7 Å²	58.7	4%	0.037	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	125.2	-175.6	-54.4	-180	0	0	0	109.8	L431 L435 L440 Q444 T453 L454 V456 I465	L431-L446 HydrophobicContact CD1-CB 4.22Å; L431-L446 HydrophobicContact CD1-CD1 3.8Å; L431-L446 HydrophobicContact CD2-CB 4.13Å; L435-L446 HydrophobicContact CD1-CD1 4.43Å; L435-L446 HydrophobicContact CD1-CD2 3.83Å; L440-L446 HydrophobicContact CD2-CD2 4.2Å; Q444-L446 HydrophobicContact CG-CD2 3.95Å; L446-T453 CarbonylContact O-C 3.4Å; L446-T453 WeakPolarHBondContact O-CA 3.47Å; L446-L454 HydrophobicContact CB-CB 4.48Å; L446-L454 PolarHBondContact N-O 2.04Å; L446-L454 PolarHBondContact O-N 3.21Å; L446-V456 HydrophobicContact CD1-CG2 3.56Å; L446-V456 HydrophobicContact CD2-CG2 4.29Å; L446-V456 HydrophobicContact CG-CG2 3.76Å; L446-I465 HydrophobicContact CD1-CD1 3.93Å; L446-I465 HydrophobicContact CD1-CG1 4.23Å; L446-I465 HydrophobicContact CD1-CG2 4.33Å
447	Q	97.9	Very high	96.2	Very high	116 Å²	116	56.7 Å²	56.7	54%	0.542	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	129.9	178.7	-66.8	-172	7	0	0	111.6	L431 K432	L431-Q447 WeakPolarHBondContact CA-O 3.21Å; K432-Q447 HydrophobicContact CD-CB 4.14Å; K432-Q447 PolarHBondContact N-O 2.99Å
448	T	97.9	Very high	96.2	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-89.2	162.8	175.3	78.1	0	0	0	0	111.8	N428 L430 L431 K432 G450 G451 L452 L454	N428-T448 HydrophobicContact CB-CG2 4.27Å; N428-T448 WeakPolarHBondContact O-CG2 3.15Å; N428-T448 PolarHBondContact OD1-OG1 3.14Å; L430-T448 CarbonylContact O-C 3.59Å; L430-T448 WeakPolarHBondContact O-CA 3.47Å; L431-T448 HydrophobicContact CD2-CG2 3.99Å; K432-T448 WeakPolarHBondContact CE-O 3.19Å; T448-G450 PolarHBondContact O-N 3.1Å; T448-G450 PolarHBondContact OG1-N 3.12Å; T448-G451 PolarHBondContact O-N 2.96Å; T448-G451 PolarHBondContact OG1-N 3.49Å; T448-L452 HydrophobicContact CG2-CB 4.14Å; T448-L452 PolarHBondContact N-O 2.86Å; T448-L452 PolarHBondContact OG1-N 2.82Å; T448-L452 PolarHBondContact OG1-O 2.94Å; T448-L454 HydrophobicContact CG2-CD1 3.69Å; T448-L454 HydrophobicContact CG2-CD2 4.2Å; T448-L454 HydrophobicContact CG2-CG 3.65Å
449	L	96.3	Very high	96.1	Very high	34 Å²	34	51.9 Å²	51.9	18%	0.178	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-24	168.3	-68.4	-175.5	0	0	0	112.6	L402 K427 L430 K432 G451	L402-L449 HydrophobicContact CD1-CD1 4.26Å; L402-L449 HydrophobicContact CD2-CD1 4.07Å; L402-L449 HydrophobicContact CD2-CD2 4.1Å; L402-L449 HydrophobicContact CD2-CG 4.28Å; K427-L449 VanDerWaalsContact CE-O 3.22Å; K427-L449 WeakPolarHBondContact CE-O 3.49Å; K427-L449 HydrophobicContact CG-CB 4.15Å; L430-L449 HydrophobicContact CB-CB 4.3Å; L430-L449 HydrophobicContact CB-CD1 3.64Å; L430-L449 HydrophobicContact CB-CG 3.92Å; L430-L449 HydrophobicContact CD1-CD1 3.82Å; L430-L449 HydrophobicContact CG-CD1 4.38Å; L430-L449 PolarHBondContact O-N 2.74Å; K432-L449 HydrophobicContact CG-CD2 3.78Å; L449-G451 PolarHBondContact O-N 3.3Å
450	G	94.9	Very high	95.8	Very high	35 Å²	35	59.7 Å²	59.7	36%	0.361	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-4.2	173.6	0	0	0	0	0	114.3	K427 N428 T448	K427-G450 PolarHBondContact O-N 2.93Å; N428-G450 VanDerWaalsContact OD1-CA 3.24Å; N428-G450 WeakPolarHBondContact OD1-CA 3.5Å; T448-G450 PolarHBondContact O-N 3.1Å; T448-G450 PolarHBondContact OG1-N 3.12Å
451	G	95.3	Very high	95.4	Very high	59 Å²	59	64.7 Å²	64.7	61%	0.608	34%	0.336	S	S	*	.	S	Bend	trans	87.5	6.8	177.6	0	0	0	0	0	114.6	T448 L449	T448-G451 PolarHBondContact O-N 2.96Å; T448-G451 PolarHBondContact OG1-N 3.49Å; L449-G451 PolarHBondContact O-N 3.3Å
452	L	95.2	Very high	95.3	Very high	69 Å²	69	61.2 Å²	61.2	36%	0.361	33%	0.327	S	S	.	.			trans	-84.6	159.2	173.1	-62.5	-173.6	0	0	0	111.4	N428 T448 P491	N428-L452 HydrophobicContact CB-CD1 4.23Å; N428-L452 VanDerWaalsContact CG-CD1 3.44Å; N428-L452 VanDerWaalsContact ND2-CD1 3.31Å; N428-L452 WeakPolarHBondContact ND2-CD1 3.34Å; N428-L452 VanDerWaalsContact OD1-CG 3.3Å; N428-L452 WeakPolarHBondContact OD1-CG 3.17Å; T448-L452 HydrophobicContact CG2-CB 4.14Å; T448-L452 PolarHBondContact N-O 2.86Å; T448-L452 PolarHBondContact OG1-N 2.82Å; T448-L452 PolarHBondContact OG1-O 2.94Å; L452-P491 HydrophobicContact CD1-CB 3.6Å; L452-P491 HydrophobicContact CD1-CG 3.8Å
453	T	96	Very high	95.4	Very high	66 Å²	66	57 Å²	57	41%	0.405	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	118.5	171.4	-59.7	0	0	0	0	108.7	Q445 L446	Q445-T453 HydrophobicContact CB-CG2 3.55Å; Q445-T453 HydrophobicContact CG-CG2 3.86Å; L446-T453 CarbonylContact O-C 3.4Å; L446-T453 WeakPolarHBondContact O-CA 3.47Å
454	L	96.8	Very high	95.6	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	144	179	-51.4	179.8	0	0	0	110.3	L405 L431 Q445 L446 T448 I465 E466 L489	L405-L454 HydrophobicContact CD1-CD1 3.87Å; L431-L454 HydrophobicContact CD2-CD1 4.05Å; Q445-L454 CarbonylContact C-O 3.59Å; Q445-L454 WeakPolarHBondContact CA-O 3.47Å; L446-L454 HydrophobicContact CB-CB 4.48Å; L446-L454 PolarHBondContact N-O 2.04Å; L446-L454 PolarHBondContact O-N 3.21Å; T448-L454 HydrophobicContact CG2-CD1 3.69Å; T448-L454 HydrophobicContact CG2-CD2 4.2Å; T448-L454 HydrophobicContact CG2-CG 3.65Å; L454-I465 HydrophobicContact CB-CG2 3.74Å; L454-I465 HydrophobicContact CD1-CG2 3.82Å; L454-I465 HydrophobicContact CG-CG2 4.44Å; L454-E466 HydrophobicContact CB-CG 4.13Å; L454-E466 HydrophobicContact CD2-CG 3.95Å; L454-L489 HydrophobicContact CD1-CD1 4.25Å; L454-L489 HydrophobicContact CD1-CD2 3.43Å; L454-L489 VanDerWaalsContact CD1-CD2 3.43Å; L454-L489 HydrophobicContact CD1-CG 4.47Å; L454-L489 HydrophobicContact CD2-CD2 3.83Å; L454-L489 HydrophobicContact CG-CD2 4.28Å
455	R	96.3	Very high	95.7	Very high	33 Å²	33	53.5 Å²	53.5	13%	0.125	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	140.5	179.6	-61.2	165.3	-66	-178.6	4.6	110.8	Q444 F457 I465 E466 A611 T612	Q444-R455 CarbonylContact O-C 3.49Å; Q444-R455 WeakPolarHBondContact O-CA 3.46Å; R455-F457 HydrophobicContact CB-CE1 3.81Å; R455-F457 HydrophobicContact CB-CE2 4.5Å; R455-F457 HydrophobicContact CB-CZ 3.68Å; R455-I465 WeakPolarHBondContact O-CA 3.43Å; R455-E466 WeakPolarHBondContact CB-OE1 3.24Å; R455-E466 WeakPolarHBondContact CG-OE1 3.48Å; R455-E466 IonicContact CZ-OE1 3.34Å; R455-E466 IonicContact CZ-OE2 3.07Å; R455-E466 PolarHBondContact N-OE1 3.11Å; R455-E466 IonicContact NE-OE1 2.62Å; R455-E466 PolarHBondContact NE-OE1 3.45Å; R455-E466 IonicContact NE-OE2 3.4Å; R455-E466 PolarHBondContact NE-OE2 2.87Å; R455-E466 IonicContact NH2-OE1 3.35Å; R455-E466 IonicContact NH2-OE2 2.75Å; R455-E466 PolarHBondContact NH2-OE2 2.6Å; R455-E466 PolarHBondContact O-N 3.46Å; R455-A611 PolarHBondContact NH1-O 3.06Å; R455-A611 PolarHBondContact NH2-O 2.9Å; R455-T612 PolarHBondContact NH1-O 2.93Å
456	V	97.5	Very high	95.7	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	130.9	174.6	-179.9	0	0	0	0	110.4	L440 Y441 G443 Q444 L446 V458 L463 C464	L440-V456 HydrophobicContact CB-CG1 4.04Å; L440-V456 HydrophobicContact CD1-CG1 4.43Å; L440-V456 HydrophobicContact CD1-CG2 4.36Å; Y441-V456 WeakPolarHBondContact O-CG1 3.49Å; G443-V456 PolarHBondContact N-O 3.42Å; Q444-V456 HydrophobicContact CB-CB 4Å; Q444-V456 HydrophobicContact CB-CG2 3.9Å; Q444-V456 HydrophobicContact CG-CG2 4.43Å; Q444-V456 PolarHBondContact O-N 3.3Å; L446-V456 HydrophobicContact CD1-CG2 3.56Å; L446-V456 HydrophobicContact CD2-CG2 4.29Å; L446-V456 HydrophobicContact CG-CG2 3.76Å; V456-V458 HydrophobicContact CG1-CG2 4.2Å; V456-L463 HydrophobicContact CG1-CD1 3.62Å; V456-C464 CarbonylContact C-O 3.46Å; V456-C464 WeakPolarHBondContact CA-O 3.47Å
457	F	95.7	Very high	95.6	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.018	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	108.6	172.7	-48.1	-55	0	0	0	109.9	R455 Y459 C464 E466 L568 V570 M610	R455-F457 HydrophobicContact CB-CE1 3.81Å; R455-F457 HydrophobicContact CB-CE2 4.5Å; R455-F457 HydrophobicContact CB-CZ 3.68Å; F457-Y459 HydrophobicContact CB-CD2 4.42Å; F457-Y459 HydrophobicContact CB-CE2 3.62Å; F457-C464 HydrophobicContact CB-CB 4.47Å; F457-C464 PolarHBondContact N-O 3.48Å; F457-C464 PolarHBondContact O-N 3.45Å; F457-E466 WeakPolarHBondContact CD2-O 3.36Å; F457-E466 WeakPolarHBondContact CE2-O 3.43Å; F457-L568 HydrophobicContact CD1-CB 4.28Å; F457-L568 HydrophobicContact CE1-CB 3.96Å; F457-L568 HydrophobicContact CE1-CD1 3.5Å; F457-L568 VanDerWaalsContact CE1-CD1 3.5Å; F457-L568 HydrophobicContact CE1-CG 4.28Å; F457-L568 HydrophobicContact CZ-CB 4.31Å; F457-L568 HydrophobicContact CZ-CD1 3.74Å; F457-L568 HydrophobicContact CZ-CG 4.42Å; F457-V570 HydrophobicContact CD2-CG1 4.22Å; F457-V570 HydrophobicContact CE2-CG1 4.23Å; F457-M610 HydrophobicContact CE2-CE 3.94Å; F457-M610 HydrophobicContact CZ-CE 4.39Å
458	V	95.9	Very high	95.5	Very high	59 Å²	59	41.6 Å²	41.6	36%	0.358	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	119.3	171.5	-171.8	0	0	0	0	108.5	Y441 H442 V456 L463	Y441-V458 VanDerWaalsContact C-CG2 3.5Å; H442-V458 HydrophobicContact CB-CB 4.09Å; H442-V458 HydrophobicContact CB-CG2 4.12Å; H442-V458 VanDerWaalsContact N-CG2 3.28Å; H442-V458 PolarHBondContact ND1-N 3.09Å; H442-V458 PolarHBondContact ND1-O 3.08Å; V456-V458 HydrophobicContact CG1-CG2 4.2Å; V458-L463 HydrophobicContact CB-CD1 4.42Å; V458-L463 HydrophobicContact CG2-CD1 3.75Å
459	Y	93.8	Very high	95.5	Very high	43 Å²	43	41.8 Å²	41.8	17%	0.169	23%	0.226	C	C	.	.			trans	-108.2	177	170.8	-57.6	-73.2	0	0	0	110.1	F457 N461 N462 C464 L568 L569 V570 G573	F457-Y459 HydrophobicContact CB-CD2 4.42Å; F457-Y459 HydrophobicContact CB-CE2 3.62Å; Y459-N461 VanDerWaalsContact C-N 3.3Å; Y459-N461 PolarHBondContact O-N 3.17Å; Y459-N462 WeakPolarHBondContact CA-O 3.37Å; Y459-N462 WeakPolarHBondContact CB-O 3.49Å; Y459-N462 PolarHBondContact N-O 2.86Å; Y459-C464 HydrophobicContact CE2-CB 4.35Å; Y459-L568 PolarHBondContact OH-O 2.77Å; Y459-L569 HydrophobicContact CD1-CD1 4.46Å; Y459-L569 HydrophobicContact CE1-CD1 3.91Å; Y459-L569 WeakPolarHBondContact OH-CA 3.4Å; Y459-V570 HydrophobicContact CE2-CG2 3.75Å; Y459-V570 PolarHBondContact OH-N 3.13Å; Y459-V570 VanDerWaalsContact OH-N 3.16Å; Y459-G573 VanDerWaalsContact CD2-CA 3.42Å
460	R	89.8	Confident	95.6	Very high	240 Å²	240	41.6 Å²	41.6	91%	0.906	23%	0.225	S	C	*	.	S	Bend	trans	-57.6	-40.9	-176.7	-172	179.8	-179.6	170	1.7	113.5
461	N	89.3	Confident	95.6	Very high	123 Å²	123	42.4 Å²	42.4	66%	0.658	23%	0.228	S	C	*	.	S	Bend	trans	-123.7	-7.1	-174	-62.8	-20.3	0	0	0	113.4	Y459	Y459-N461 VanDerWaalsContact C-N 3.3Å; Y459-N461 PolarHBondContact O-N 3.17Å
462	N	94.2	Very high	95.6	Very high	69 Å²	69	41.7 Å²	41.7	37%	0.369	22%	0.217	S	C	.	.			trans	-135.4	147	-172.5	-67.5	-42.4	0	0	0	110	Y459 G572	Y459-N462 WeakPolarHBondContact CA-O 3.37Å; Y459-N462 WeakPolarHBondContact CB-O 3.49Å; Y459-N462 PolarHBondContact N-O 2.86Å; N462-G572 WeakPolarHBondContact CB-O 3.48Å; N462-G572 PolarHBondContact ND2-O 3.13Å
463	L	97.2	Very high	95.5	Very high	28 Å²	28	46.3 Å²	46.3	15%	0.147	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	119.7	176.8	173.7	56.9	0	0	0	108	S437 L440 V456 V458 C469 I470	S437-L463 WeakPolarHBondContact O-CD2 3.44Å; L440-L463 HydrophobicContact CB-CD1 4.3Å; L440-L463 HydrophobicContact CB-CD2 4.25Å; L440-L463 HydrophobicContact CD1-CD2 4.19Å; V456-L463 HydrophobicContact CG1-CD1 3.62Å; V458-L463 HydrophobicContact CB-CD1 4.42Å; V458-L463 HydrophobicContact CG2-CD1 3.75Å; L463-C469 WeakPolarHBondContact O-CA 3.46Å; L463-I470 HydrophobicContact CB-CD1 4.49Å; L463-I470 HydrophobicContact CD2-CD1 3.72Å; L463-I470 HydrophobicContact CG-CD1 3.92Å; L463-I470 HydrophobicContact CG-CG1 4.5Å; L463-I470 PolarHBondContact O-N 3.39Å
464	C	97.4	Very high	95.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	146.9	-173.6	-46.9	0	0	0	0	111.7	V456 F457 Y459 A468 C469 V570	V456-C464 CarbonylContact C-O 3.46Å; V456-C464 WeakPolarHBondContact CA-O 3.47Å; F457-C464 HydrophobicContact CB-CB 4.47Å; F457-C464 PolarHBondContact N-O 3.48Å; F457-C464 PolarHBondContact O-N 3.45Å; Y459-C464 HydrophobicContact CE2-CB 4.35Å; C464-A468 CarbonylContact C-O 3.43Å; C464-A468 VanDerWaalsContact CA-O 3.24Å; C464-A468 WeakPolarHBondContact CA-O 3.43Å; C464-A468 WeakPolarHBondContact CB-O 3.41Å; C464-C469 HydrophobicContact CB-CB 4.01Å; C464-C469 WeakPolarHBondContact CB-SG 3.35Å; C464-C469 WeakPolarHBondContact SG-CB 3.25Å; C464-C469 CovalentContact SG-SG 2.04Å; C464-C469 PolarHBondContact SG-SG 3.42Å; C464-V570 HydrophobicContact CB-CG2 4.16Å
465	I	97.8	Very high	95.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	111.3	172.1	-58.7	172.1	0	0	0	105.5	L405 L440 L446 L454 R455 N467 A468 F483 L489	L405-I465 HydrophobicContact CD1-CD1 4.39Å; L405-I465 HydrophobicContact CD1-CG2 4.26Å; L405-I465 HydrophobicContact CD2-CD1 3.66Å; L440-I465 HydrophobicContact CD1-CD1 4.39Å; L446-I465 HydrophobicContact CD1-CD1 3.93Å; L446-I465 HydrophobicContact CD1-CG1 4.23Å; L446-I465 HydrophobicContact CD1-CG2 4.33Å; L454-I465 HydrophobicContact CB-CG2 3.74Å; L454-I465 HydrophobicContact CD1-CG2 3.82Å; L454-I465 HydrophobicContact CG-CG2 4.44Å; R455-I465 WeakPolarHBondContact O-CA 3.43Å; I465-N467 PolarHBondContact O-N 3.4Å; I465-A468 PolarHBondContact N-O 3.03Å; I465-A468 PolarHBondContact O-N 3.02Å; I465-A468 VanDerWaalsContact O-N 3.16Å; I465-F483 HydrophobicContact CD1-CD2 4.03Å; I465-F483 HydrophobicContact CD1-CE2 4.39Å; I465-L489 HydrophobicContact CG2-CD1 4.33Å; I465-L489 VanDerWaalsContact O-CD1 3.28Å; I465-L489 WeakPolarHBondContact O-CD1 3.26Å
466	E	96.3	Very high	95.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	-123.4	-164.6	-62.3	-63.2	147.4	0	0	111.9	L454 R455 F457 L489 M610	L454-E466 HydrophobicContact CB-CG 4.13Å; L454-E466 HydrophobicContact CD2-CG 3.95Å; R455-E466 WeakPolarHBondContact CB-OE1 3.24Å; R455-E466 WeakPolarHBondContact CG-OE1 3.48Å; R455-E466 IonicContact CZ-OE1 3.34Å; R455-E466 IonicContact CZ-OE2 3.07Å; R455-E466 PolarHBondContact N-OE1 3.11Å; R455-E466 IonicContact NE-OE1 2.62Å; R455-E466 PolarHBondContact NE-OE1 3.45Å; R455-E466 IonicContact NE-OE2 3.4Å; R455-E466 PolarHBondContact NE-OE2 2.87Å; R455-E466 IonicContact NH2-OE1 3.35Å; R455-E466 IonicContact NH2-OE2 2.75Å; R455-E466 PolarHBondContact NH2-OE2 2.6Å; R455-E466 PolarHBondContact O-N 3.46Å; F457-E466 WeakPolarHBondContact CD2-O 3.36Å; F457-E466 WeakPolarHBondContact CE2-O 3.43Å; E466-L489 HydrophobicContact CB-CD1 3.9Å; E466-L489 HydrophobicContact CG-CD1 4.37Å; E466-M610 HydrophobicContact CB-CE 4.18Å; E466-M610 WeakPolarHBondContact OE2-CE 3.23Å
467	N	95.9	Very high	95.4	Very high	11 Å²	11	48.5 Å²	48.5	6%	0.059	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-17.9	-179.2	68.2	-48	0	0	0	114.3	I465 V488 L489 A490 D608 M610	I465-N467 PolarHBondContact O-N 3.4Å; N467-V488 PolarHBondContact ND2-O 3.47Å; N467-L489 WeakPolarHBondContact OD1-CA 3.44Å; N467-A490 PolarHBondContact OD1-N 2.98Å; N467-D608 HydrophobicContact CB-CB 3.62Å; N467-M610 HydrophobicContact CB-CG 3.9Å; N467-M610 HydrophobicContact CB-SD 3.95Å
468	A	97.3	Very high	95.4	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	137.7	-169.8	0	0	0	0	0	110.7	C464 I465 L485 K487 L489	C464-A468 CarbonylContact C-O 3.43Å; C464-A468 VanDerWaalsContact CA-O 3.24Å; C464-A468 WeakPolarHBondContact CA-O 3.43Å; C464-A468 WeakPolarHBondContact CB-O 3.41Å; I465-A468 PolarHBondContact N-O 3.03Å; I465-A468 PolarHBondContact O-N 3.02Å; I465-A468 VanDerWaalsContact O-N 3.16Å; A468-L485 HydrophobicContact CB-CB 4.31Å; A468-L485 HydrophobicContact CB-CD1 3.86Å; A468-K487 HydrophobicContact CB-CB 4.12Å; A468-K487 WeakPolarHBondContact CB-O 3.2Å; A468-L489 HydrophobicContact CB-CD1 4.43Å
469	C	97.1	Very high	95.4	Very high	4 Å²	4	50.5 Å²	50.5	3%	0.027	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	147.8	-175.8	-54.9	0	0	0	0	111.5	L463 C464 A471 L485 D486	L463-C469 WeakPolarHBondContact O-CA 3.46Å; C464-C469 HydrophobicContact CB-CB 4.01Å; C464-C469 WeakPolarHBondContact CB-SG 3.35Å; C464-C469 WeakPolarHBondContact SG-CB 3.25Å; C464-C469 CovalentContact SG-SG 2.04Å; C464-C469 PolarHBondContact SG-SG 3.42Å; C469-A471 PolarHBondContact O-N 2.79Å; C469-L485 CarbonylContact O-C 3.59Å; C469-L485 WeakPolarHBondContact O-CA 3.13Å; C469-D486 PolarHBondContact N-OD1 2.88Å; C469-D486 PolarHBondContact O-N 2.9Å
470	I	97.2	Very high	95.6	Very high	30 Å²	30	48.7 Å²	48.7	15%	0.154	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-67.5	119.5	178.7	-61.7	-177.3	0	0	0	109	L463 A472 F483 T484 L485	L463-I470 HydrophobicContact CB-CD1 4.49Å; L463-I470 HydrophobicContact CD2-CD1 3.72Å; L463-I470 HydrophobicContact CG-CD1 3.92Å; L463-I470 HydrophobicContact CG-CG1 4.5Å; L463-I470 PolarHBondContact O-N 3.39Å; I470-A472 WeakPolarHBondContact CG2-O 3.26Å; I470-F483 HydrophobicContact CD1-CD2 4.07Å; I470-F483 HydrophobicContact CD1-CE2 4.46Å; I470-F483 HydrophobicContact CD1-CG 4.25Å; I470-T484 CarbonylContact C-O 3.41Å; I470-T484 WeakPolarHBondContact CA-O 3.34Å; I470-L485 HydrophobicContact CG1-CD2 4.05Å
471	A	95.6	Very high	96	Very high	52 Å²	52	37.4 Å²	37.4	43%	0.43	20%	0.202	S	C	.	.			trans	-100.9	-19.5	-172.6	0	0	0	0	0	113.7	L408 C469 T484 D486	L408-A471 HydrophobicContact CD1-CB 3.84Å; C469-A471 PolarHBondContact O-N 2.79Å; A471-T484 PolarHBondContact N-O 2.93Å; A471-D486 HydrophobicContact CB-CB 4.14Å
472	A	94.8	Very high	96.4	Very high	44 Å²	44	31.6 Å²	31.6	36%	0.364	17%	0.171	S	C	.	.	S	Bend	trans	-143.1	168.7	178.5	0	0	0	0	0	111.3	I470 T484	I470-A472 WeakPolarHBondContact CG2-O 3.26Å; A472-T484 HydrophobicContact CB-CG2 4.17Å
473	H	94.1	Very high	96.5	Very high	165 Å²	165	28.3 Å²	28.3	76%	0.764	15%	0.153	S	C	*	.			trans	-60.5	145.4	175.1	-68	88.7	0	0	0	111.3	R475	H473-R475 PolarHBondContact O-N 3.03Å
474	D	95.8	Very high	96.6	Very high	30 Å²	30	27.3 Å²	27.3	16%	0.16	15%	0.148	C	C	.	.			trans	-54	137.4	174.1	-57	1.9	0	0	0	110.8	S436 S437 T481 F483	S436-D474 WeakPolarHBondContact CA-OD2 3.42Å; S436-D474 PolarHBondContact OG-OD2 2.94Å; S436-D474 VanDerWaalsContact OG-OD2 3.09Å; S437-D474 WeakPolarHBondContact CB-OD1 3.3Å; S437-D474 PolarHBondContact N-OD2 3.27Å; S437-D474 PolarHBondContact OG-OD1 3.37Å; S437-D474 PolarHBondContact OG-OD2 2.91Å; D474-T481 HydrophobicContact CB-CG2 3.99Å; D474-F483 HydrophobicContact CB-CD1 4.39Å; D474-F483 HydrophobicContact CB-CE1 4.33Å; D474-F483 WeakPolarHBondContact OD2-CE1 3.38Å
475	R	95.6	Very high	96.5	Very high	47 Å²	47	27.3 Å²	27.3	18%	0.177	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	105	166.7	-65.3	-170.8	65.8	-156.2	-11.4	108.7	D366 L374 D377 H473 M482	D366-R475 IonicContact OD1-CZ 3.49Å; D366-R475 IonicContact OD1-NE 3.51Å; D366-R475 IonicContact OD1-NH2 2.81Å; D366-R475 PolarHBondContact OD1-NH2 3.11Å; D366-R475 IonicContact OD2-CZ 3.67Å; D366-R475 IonicContact OD2-NE 3.81Å; D366-R475 PolarHBondContact OD2-NE 3.39Å; D366-R475 IonicContact OD2-NH2 3.25Å; D366-R475 PolarHBondContact OD2-NH2 3.25Å; L374-R475 HydrophobicContact CD2-CB 4.5Å; L374-R475 PolarHBondContact O-NH1 3.12Å; L374-R475 PolarHBondContact O-NH2 3.03Å; D377-R475 IonicContact OD2-NH1 4Å; H473-R475 PolarHBondContact O-N 3.03Å; R475-M482 HydrophobicContact CB-CB 4.46Å; R475-M482 HydrophobicContact CB-CE 4.25Å; R475-M482 HydrophobicContact CG-CE 4.43Å; R475-M482 PolarHBondContact N-O 2.91Å; R475-M482 VanDerWaalsContact N-O 3.12Å; R475-M482 PolarHBondContact O-N 2.72Å
476	T	96.5	Very high	96.4	Very high	65 Å²	65	29.9 Å²	29.9	40%	0.399	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	110.7	-174.1	-55	0	0	0	0	109.8	D366 S367	D366-T476 CarbonylContact C-O 3.27Å; S367-T476 PolarHBondContact N-O 3.46Å
477	G	96.2	Very high	96.3	Very high	5 Å²	5	32.9 Å²	32.9	5%	0.052	18%	0.175	C	C	.	.			trans	-82.1	-177.9	175.9	0	0	0	0	0	113	D366 K369 Q434 F479 A480	D366-G477 VanDerWaalsContact O-CA 3.31Å; D366-G477 WeakPolarHBondContact O-CA 3.39Å; K369-G477 WeakPolarHBondContact O-CA 3.48Å; Q434-G477 PolarHBondContact NE2-O 3.23Å; Q434-G477 VanDerWaalsContact NE2-O 3.14Å; G477-F479 VanDerWaalsContact C-N 3.33Å; G477-F479 PolarHBondContact O-N 2.89Å; G477-A480 WeakPolarHBondContact CA-O 3.37Å; G477-A480 PolarHBondContact N-O 3.3Å
478	R	96.5	Very high	96.3	Very high	63 Å²	63	34 Å²	34	24%	0.238	18%	0.182	C	C	.	.	S	Bend	trans	-60.8	-42.6	-179.8	178.7	55	-169.6	91.4	2.9	112.9	D291 A294 S367 K369	D291-R478 IonicContact OD1-CZ 3.32Å; D291-R478 IonicContact OD1-NE 3.67Å; D291-R478 IonicContact OD1-NH2 2.92Å; D291-R478 PolarHBondContact OD1-NH2 3.31Å; D291-R478 IonicContact OD2-CZ 2.73Å; D291-R478 IonicContact OD2-NE 2.73Å; D291-R478 PolarHBondContact OD2-NE 3.06Å; D291-R478 IonicContact OD2-NH2 3.73Å; D291-R478 PolarHBondContact OD2-NH2 2.94Å; A294-R478 HydrophobicContact CB-CG 4.47Å; S367-R478 WeakPolarHBondContact O-CA 3.37Å; S367-R478 VanDerWaalsContact O-CB 3.25Å; S367-R478 WeakPolarHBondContact O-CB 3.17Å; S367-R478 WeakPolarHBondContact O-CD 3.33Å; S367-R478 PolarHBondContact O-N 3.27Å; K369-R478 PolarHBondContact O-N 2.98Å
479	F	95.8	Very high	96.3	Very high	42 Å²	42	34.1 Å²	34.1	18%	0.184	18%	0.183	C	C	.	.	S	Bend	trans	-116.2	-22	-176.3	-53.6	-69.4	0	0	0	112.8	A401 Q434 G477	A401-F479 VanDerWaalsContact CA-O 3.29Å; A401-F479 WeakPolarHBondContact CA-O 3.43Å; Q434-F479 PolarHBondContact OE1-O 3.22Å; G477-F479 VanDerWaalsContact C-N 3.33Å; G477-F479 PolarHBondContact O-N 2.89Å
480	A	96.9	Very high	96.1	Very high	5 Å²	5	35.9 Å²	35.9	4%	0.041	20%	0.197	C	C	.	.			trans	-147.5	157.9	-169	0	0	0	0	0	112.2	L371 L402 G477	L371-A480 HydrophobicContact CD1-CB 3.54Å; L371-A480 HydrophobicContact CD2-CB 3.85Å; L371-A480 HydrophobicContact CG-CB 3.5Å; L402-A480 HydrophobicContact CB-CB 4.04Å; L402-A480 CarbonylContact O-C 3.59Å; L402-A480 WeakPolarHBondContact O-CA 3.46Å; L402-A480 WeakPolarHBondContact O-CB 3.44Å; G477-A480 WeakPolarHBondContact CA-O 3.37Å; G477-A480 PolarHBondContact N-O 3.3Å
481	T	97.8	Very high	95.8	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.012	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	142.7	-177.5	-54.7	0	0	0	0	110.5	L402 T403 M404 Q434 L435 D474 F483	L402-T481 PolarHBondContact O-N 3.4Å; T403-T481 CarbonylContact C-O 3.6Å; T403-T481 WeakPolarHBondContact CA-O 3.38Å; M404-T481 PolarHBondContact N-O 3.48Å; Q434-T481 WeakPolarHBondContact CG-OG1 3.41Å; L435-T481 VanDerWaalsContact O-CB 3.27Å; L435-T481 WeakPolarHBondContact O-CB 3.28Å; L435-T481 WeakPolarHBondContact O-CG2 3.43Å; L435-T481 PolarHBondContact O-OG1 2.85Å; D474-T481 HydrophobicContact CB-CG2 3.99Å; T481-F483 HydrophobicContact CG2-CD1 3.92Å; T481-F483 HydrophobicContact CG2-CE1 3.65Å
482	M	97.7	Very high	95.6	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	122.5	170.6	-174.6	175.2	67.1	0	0	110.2	L371 A375 V380 M404 A406 R475	L371-M482 HydrophobicContact CD2-CB 4.22Å; A375-M482 HydrophobicContact CB-SD 3.95Å; V380-M482 HydrophobicContact CG2-CE 4.24Å; V380-M482 HydrophobicContact CG2-SD 4.02Å; M404-M482 HydrophobicContact CE-SD 4.16Å; M404-M482 CarbonylContact O-C 3.59Å; M404-M482 WeakPolarHBondContact O-CA 3.36Å; A406-M482 HydrophobicContact CB-CG 3.78Å; A406-M482 HydrophobicContact CB-SD 3.89Å; R475-M482 HydrophobicContact CB-CB 4.46Å; R475-M482 HydrophobicContact CB-CE 4.25Å; R475-M482 HydrophobicContact CG-CE 4.43Å; R475-M482 PolarHBondContact N-O 2.91Å; R475-M482 VanDerWaalsContact N-O 3.12Å; R475-M482 PolarHBondContact O-N 2.72Å
483	F	98	Very high	95.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	119	166.5	-66.2	-10.7	0	0	0	108.9	T403 M404 L405 A406 L435 S437 L440 I465 I470 D474 T481	T403-F483 HydrophobicContact CG2-CD1 4.04Å; T403-F483 HydrophobicContact CG2-CD2 3.69Å; T403-F483 HydrophobicContact CG2-CE1 4.01Å; T403-F483 HydrophobicContact CG2-CE2 3.66Å; T403-F483 HydrophobicContact CG2-CG 3.86Å; T403-F483 HydrophobicContact CG2-CZ 3.82Å; M404-F483 PolarHBondContact O-N 3.34Å; L405-F483 HydrophobicContact CD2-CB 4Å; L405-F483 HydrophobicContact CD2-CD2 3.75Å; L405-F483 HydrophobicContact CD2-CG 4.32Å; A406-F483 PolarHBondContact N-O 2.96Å; L435-F483 HydrophobicContact CB-CE2 4.44Å; L435-F483 HydrophobicContact CB-CZ 3.98Å; S437-F483 VanDerWaalsContact N-CZ 3.26Å; L440-F483 HydrophobicContact CD1-CE2 3.97Å; I465-F483 HydrophobicContact CD1-CD2 4.03Å; I465-F483 HydrophobicContact CD1-CE2 4.39Å; I470-F483 HydrophobicContact CD1-CD2 4.07Å; I470-F483 HydrophobicContact CD1-CE2 4.46Å; I470-F483 HydrophobicContact CD1-CG 4.25Å; D474-F483 HydrophobicContact CB-CD1 4.39Å; D474-F483 HydrophobicContact CB-CE1 4.33Å; D474-F483 WeakPolarHBondContact OD2-CE1 3.38Å; T481-F483 HydrophobicContact CG2-CD1 3.92Å; T481-F483 HydrophobicContact CG2-CE1 3.65Å
484	T	97.4	Very high	95.2	Very high	7 Å²	7	31.4 Å²	31.4	4%	0.043	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	125.2	175.6	-54.9	0	0	0	0	109	V380 A406 L408 I470 A471 A472	V380-T484 HydrophobicContact CG1-CG2 3.97Å; A406-T484 CarbonylContact O-C 3.44Å; A406-T484 WeakPolarHBondContact O-CA 3.33Å; L408-T484 HydrophobicContact CD2-CG2 3.43Å; L408-T484 VanDerWaalsContact CD2-CG2 3.43Å; L408-T484 HydrophobicContact CG-CG2 3.76Å; I470-T484 CarbonylContact C-O 3.41Å; I470-T484 WeakPolarHBondContact CA-O 3.34Å; A471-T484 PolarHBondContact N-O 2.93Å; A472-T484 HydrophobicContact CB-CG2 4.17Å
485	L	97.1	Very high	95.2	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	149.4	-175.5	-59.6	-176.7	0	0	0	112.4	L405 A406 P407 L408 A468 C469 I470 K487	L405-L485 HydrophobicContact CB-CD1 3.69Å; L405-L485 HydrophobicContact CB-CG 4.48Å; L405-L485 HydrophobicContact CD2-CD1 4.47Å; L405-L485 HydrophobicContact CG-CD1 4.44Å; A406-L485 PolarHBondContact O-N 2.89Å; P407-L485 CarbonylContact C-O 3.57Å; P407-L485 WeakPolarHBondContact CA-O 3.48Å; L408-L485 WeakPolarHBondContact CG-O 3.36Å; L408-L485 PolarHBondContact N-O 2.75Å; A468-L485 HydrophobicContact CB-CB 4.31Å; A468-L485 HydrophobicContact CB-CD1 3.86Å; C469-L485 CarbonylContact O-C 3.59Å; C469-L485 WeakPolarHBondContact O-CA 3.13Å; I470-L485 HydrophobicContact CG1-CD2 4.05Å; L485-K487 VanDerWaalsContact C-N 3.34Å
486	D	95.3	Very high	95.2	Very high	55 Å²	55	28.7 Å²	28.7	29%	0.294	17%	0.168	S	C	.	.	S	Bend	trans	-74.8	-23	176.2	68.3	-19.1	0	0	0	113.6	C469 A471	C469-D486 PolarHBondContact N-OD1 2.88Å; C469-D486 PolarHBondContact O-N 2.9Å; A471-D486 HydrophobicContact CB-CB 4.14Å
487	K	94.9	Very high	95.2	Very high	62 Å²	62	25.6 Å²	25.6	27%	0.27	15%	0.149	S	C	.	.	S	Bend	trans	-138	159.8	-175.7	-63.7	-179.4	-166.3	-177.1	0	111.6	A468 L485 S571 D608	A468-K487 HydrophobicContact CB-CB 4.12Å; A468-K487 WeakPolarHBondContact CB-O 3.2Å; L485-K487 VanDerWaalsContact C-N 3.34Å; K487-S571 PolarHBondContact NZ-OG 3.27Å; K487-D608 IonicContact NZ-OD2 3.12Å; K487-D608 PolarHBondContact NZ-OD2 2.78Å
488	V	95.8	Very high	95.2	Very high	35 Å²	35	28.2 Å²	28.2	21%	0.212	16%	0.161	C	C	.	.			trans	-68	134.3	163.5	-173.9	0	0	0	0	108.6	P407 A411 F412 L425 N467 A490	P407-V488 HydrophobicContact CB-CG2 4.21Å; P407-V488 HydrophobicContact CG-CB 4.44Å; P407-V488 HydrophobicContact CG-CG2 4.2Å; A411-V488 HydrophobicContact CB-CG2 4.22Å; F412-V488 HydrophobicContact CD1-CG2 3.73Å; F412-V488 HydrophobicContact CE1-CG2 3.5Å; F412-V488 VanDerWaalsContact CE1-CG2 3.5Å; F412-V488 HydrophobicContact CG-CG2 4.44Å; F412-V488 HydrophobicContact CZ-CG2 4.03Å; L425-V488 HydrophobicContact CD2-CG1 4Å; N467-V488 PolarHBondContact ND2-O 3.47Å; V488-A490 PolarHBondContact O-N 2.93Å
489	L	95.4	Very high	95.2	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.016	15%	0.154	C	C	.	.			trans	-62.2	136.3	177.5	-168.9	78.5	0	0	0	110.1	L405 L425 H429 L454 I465 E466 N467 A468 P491	L405-L489 HydrophobicContact CD1-CD2 4.48Å; L425-L489 WeakPolarHBondContact CD1-O 3.17Å; H429-L489 VanDerWaalsContact CE1-CB 3.45Å; H429-L489 WeakPolarHBondContact CE1-CB 3.27Å; H429-L489 WeakPolarHBondContact NE2-CB 3.32Å; H429-L489 PolarHBondContact NE2-N 3.23Å; H429-L489 VanDerWaalsContact NE2-N 3.11Å; L454-L489 HydrophobicContact CD1-CD1 4.25Å; L454-L489 HydrophobicContact CD1-CD2 3.43Å; L454-L489 VanDerWaalsContact CD1-CD2 3.43Å; L454-L489 HydrophobicContact CD1-CG 4.47Å; L454-L489 HydrophobicContact CD2-CD2 3.83Å; L454-L489 HydrophobicContact CG-CD2 4.28Å; I465-L489 HydrophobicContact CG2-CD1 4.33Å; I465-L489 VanDerWaalsContact O-CD1 3.28Å; I465-L489 WeakPolarHBondContact O-CD1 3.26Å; E466-L489 HydrophobicContact CB-CD1 3.9Å; E466-L489 HydrophobicContact CG-CD1 4.37Å; N467-L489 WeakPolarHBondContact OD1-CA 3.44Å; A468-L489 HydrophobicContact CB-CD1 4.43Å; L489-P491 HydrophobicContact CD2-CG 4.2Å; L489-P491 HydrophobicContact CG-CG 4.47Å
490	A	92.8	Very high	95.2	Very high	40 Å²	40	24 Å²	24	33%	0.331	15%	0.146	S	C	.	.			trans	-121.6	92.5	172.8	0	0	0	0	0	108.4	N467 V488 M610	N467-A490 PolarHBondContact OD1-N 2.98Å; V488-A490 PolarHBondContact O-N 2.93Å; A490-M610 VanDerWaalsContact O-CG 3.27Å; A490-M610 WeakPolarHBondContact O-CG 3.45Å
491	P	91.3	Very high	95.2	Very high	27 Å²	27	29 Å²	29	18%	0.175	17%	0.166	C	C	.	.			trans	-62.4	151.4	177.3	-20.1	31.9	0	0	0	111.8	L425 L452 L489	L425-P491 HydrophobicContact CD1-CG 3.92Å; L452-P491 HydrophobicContact CD1-CB 3.6Å; L452-P491 HydrophobicContact CD1-CG 3.8Å; L489-P491 HydrophobicContact CD2-CG 4.2Å; L489-P491 HydrophobicContact CG-CG 4.47Å
492	P	92.4	Very high	95.1	Very high	34 Å²	34	33 Å²	33	22%	0.221	20%	0.2	C	C	.	.			trans	-69.3	138.4	-179.6	27.9	-34.5	0	0	0	112.5	M610 T612	P492-M610 WeakPolarHBondContact CA-O 3.43Å; P492-M610 HydrophobicContact CB-CB 4.17Å; P492-T612 HydrophobicContact CB-CG2 4.21Å; P492-T612 HydrophobicContact CG-CG2 4.45Å
493	T	87.3	Confident	95	Very high	122 Å²	122	34.8 Å²	34.8	75%	0.748	21%	0.209	S	C	*	.			trans	-109.9	12.7	-174.2	53.6	0	0	0	0	115.2
494	G	92.8	Very high	94.9	Very high	15 Å²	15	42.9 Å²	42.9	16%	0.155	25%	0.247	C	C	.	.	S	Bend	trans	154.1	-171.4	-178.7	0	0	0	0	0	111.1	A611 T612	G494-A611 CarbonylContact O-C 3.58Å; G494-A611 VanDerWaalsContact O-CA 3.3Å; G494-A611 WeakPolarHBondContact O-CA 3.4Å; G494-A611 WeakPolarHBondContact O-CB 3.21Å; G494-T612 PolarHBondContact O-N 2.83Å; G494-T612 PolarHBondContact O-OG1 2.81Å
495	T	96	Very high	94.9	Very high	20 Å²	20	47.3 Å²	47.3	12%	0.123	26%	0.263	C	S	.	.			trans	-71	169.2	172.1	68.2	0	0	0	0	111.1	M497 D498 V499 H523 N613	T495-M497 PolarHBondContact O-N 3.39Å; T495-M497 PolarHBondContact OG1-N 3.39Å; T495-D498 WeakPolarHBondContact CB-OD2 3.1Å; T495-D498 WeakPolarHBondContact CG2-OD2 3.35Å; T495-D498 PolarHBondContact N-OD2 2.93Å; T495-D498 WeakPolarHBondContact O-CB 3.44Å; T495-D498 PolarHBondContact O-N 3.43Å; T495-D498 PolarHBondContact OG1-N 2.9Å; T495-D498 PolarHBondContact OG1-OD2 3.36Å; T495-V499 PolarHBondContact O-N 2.7Å; T495-H523 PolarHBondContact OG1-ND1 3.35Å; T495-N613 VanDerWaalsContact CA-OD1 3.28Å; T495-N613 WeakPolarHBondContact CA-OD1 3.36Å
496	L	96.1	Very high	95	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-51	-40.8	172.9	-72.7	170	0	0	0	111.4	D498 L500 L522 L528 F530 A611 N613 V616	L496-D498 VanDerWaalsContact C-N 3.34Å; L496-D498 PolarHBondContact O-N 3.48Å; L496-L500 WeakPolarHBondContact O-CG 3.08Å; L496-L500 PolarHBondContact O-N 3.48Å; L496-L500 VanDerWaalsContact O-N 3.09Å; L496-L522 HydrophobicContact CB-CB 4.33Å; L496-L522 HydrophobicContact CB-CD2 4.33Å; L496-L522 HydrophobicContact CD1-CD2 3.94Å; L496-L528 HydrophobicContact CD1-CB 3.86Å; L496-L528 HydrophobicContact CD1-CD1 4.2Å; L496-F530 HydrophobicContact CD2-CB 4.43Å; L496-A611 HydrophobicContact CD2-CB 3.82Å; L496-A611 HydrophobicContact CG-CB 4.04Å; L496-N613 WeakPolarHBondContact CG-OD1 3.2Å; L496-N613 PolarHBondContact N-OD1 3.25Å; L496-V616 HydrophobicContact CD2-CG2 3.43Å; L496-V616 VanDerWaalsContact CD2-CG2 3.43Å
497	M	96.1	Very high	95.1	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-67	-35.7	178.7	-166	67.4	-130.2	0	0	112.5	T495 L500 K501 V510 I513 T519 L522 H523	T495-M497 PolarHBondContact O-N 3.39Å; T495-M497 PolarHBondContact OG1-N 3.39Å; M497-L500 PolarHBondContact O-N 3.19Å; M497-K501 HydrophobicContact CE-CD 4.3Å; M497-K501 HydrophobicContact CE-CG 3.87Å; M497-K501 HydrophobicContact CG-CD 4.4Å; M497-K501 VanDerWaalsContact O-CG 3.31Å; M497-K501 WeakPolarHBondContact O-CG 3.49Å; M497-K501 PolarHBondContact O-N 3.37Å; M497-V510 HydrophobicContact CE-CB 4.01Å; M497-V510 HydrophobicContact CE-CG1 3.55Å; M497-V510 HydrophobicContact CE-CG2 3.68Å; M497-I513 HydrophobicContact SD-CG2 4.06Å; M497-T519 HydrophobicContact CG-CG2 4.35Å; M497-T519 HydrophobicContact SD-CG2 4.37Å; M497-L522 HydrophobicContact CB-CB 4.16Å; M497-L522 HydrophobicContact SD-CD1 4.29Å; M497-H523 WeakPolarHBondContact CG-NE2 3.47Å
498	D	95.8	Very high	95.1	Very high	60 Å²	60	48.8 Å²	48.8	32%	0.321	28%	0.277	S	S	.	.	H	α-helix	trans	-70.7	-42.6	179.1	-55.6	-43.5	0	0	0	110.9	T495 L496 L500 K501 A502 H523	T495-D498 WeakPolarHBondContact CB-OD2 3.1Å; T495-D498 WeakPolarHBondContact CG2-OD2 3.35Å; T495-D498 PolarHBondContact N-OD2 2.93Å; T495-D498 WeakPolarHBondContact O-CB 3.44Å; T495-D498 PolarHBondContact O-N 3.43Å; T495-D498 PolarHBondContact OG1-N 2.9Å; T495-D498 PolarHBondContact OG1-OD2 3.36Å; L496-D498 VanDerWaalsContact C-N 3.34Å; L496-D498 PolarHBondContact O-N 3.48Å; D498-L500 VanDerWaalsContact C-N 3.32Å; D498-L500 PolarHBondContact O-N 3.28Å; D498-K501 PolarHBondContact O-N 3.37Å; D498-A502 WeakPolarHBondContact O-CB 3.38Å; D498-A502 PolarHBondContact O-N 3Å; D498-H523 IonicContact OD1-CE1 3.68Å
499	V	96.2	Very high	95.2	Very high	14 Å²	14	47.1 Å²	47.1	9%	0.085	27%	0.267	C	S	.	.	H	α-helix	trans	-58.2	-44.3	173.7	173.2	0	0	0	0	111	T495 A502 L609 A611 V616	T495-V499 PolarHBondContact O-N 2.7Å; V499-A502 PolarHBondContact O-N 3.39Å; V499-L609 HydrophobicContact CG1-CB 4.11Å; V499-A611 HydrophobicContact CG2-CB 3.96Å; V499-V616 HydrophobicContact CG1-CB 4.49Å; V499-V616 HydrophobicContact CG1-CG2 4.21Å
500	L	96.7	Very high	95.2	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-68.4	-34.5	178.7	-66.2	170.6	0	0	0	113.3	L496 M497 D498 F506 L509 V510 I513 L522 F530 A532 V616	L496-L500 WeakPolarHBondContact O-CG 3.08Å; L496-L500 PolarHBondContact O-N 3.48Å; L496-L500 VanDerWaalsContact O-N 3.09Å; M497-L500 PolarHBondContact O-N 3.19Å; D498-L500 VanDerWaalsContact C-N 3.32Å; D498-L500 PolarHBondContact O-N 3.28Å; L500-F506 HydrophobicContact CB-CB 4.39Å; L500-F506 HydrophobicContact CD2-CB 4Å; L500-F506 HydrophobicContact CD2-CD1 4.07Å; L500-F506 HydrophobicContact CD2-CD2 3.74Å; L500-F506 HydrophobicContact CD2-CE2 4.22Å; L500-F506 HydrophobicContact CD2-CG 3.66Å; L500-L509 HydrophobicContact CD2-CD2 4.1Å; L500-V510 HydrophobicContact CB-CG2 4.02Å; L500-I513 HydrophobicContact CD1-CD1 3.8Å; L500-L522 HydrophobicContact CD1-CD1 4.31Å; L500-F530 HydrophobicContact CD1-CD1 3.84Å; L500-F530 HydrophobicContact CD1-CE1 3.53Å; L500-A532 HydrophobicContact CD2-CB 3.77Å; L500-V616 HydrophobicContact CD2-CG1 4.04Å; L500-V616 HydrophobicContact CD2-CG2 4.4Å
501	K	96.2	Very high	95.3	Very high	110 Å²	110	47.3 Å²	47.3	48%	0.478	27%	0.27	S	S	.	.	H	α-helix	trans	-72.6	-31	176.9	-76.1	170.4	-177.4	166.7	0	112.6	M497 D498 D503 V510	M497-K501 HydrophobicContact CE-CD 4.3Å; M497-K501 HydrophobicContact CE-CG 3.87Å; M497-K501 HydrophobicContact CG-CD 4.4Å; M497-K501 VanDerWaalsContact O-CG 3.31Å; M497-K501 WeakPolarHBondContact O-CG 3.49Å; M497-K501 PolarHBondContact O-N 3.37Å; D498-K501 PolarHBondContact O-N 3.37Å; K501-D503 VanDerWaalsContact C-N 3.26Å; K501-D503 PolarHBondContact O-N 2.8Å; K501-V510 HydrophobicContact CG-CG1 4.38Å; K501-V510 HydrophobicContact CG-CG2 4.41Å
502	A	95.8	Very high	95.5	Very high	87 Å²	87	46.1 Å²	46.1	72%	0.719	26%	0.262	S	S	*	.	H	α-helix	trans	-72.6	-19.1	-178.4	0	0	0	0	0	113.3	D498 V499	D498-A502 WeakPolarHBondContact O-CB 3.38Å; D498-A502 PolarHBondContact O-N 3Å; V499-A502 PolarHBondContact O-N 3.39Å
503	D	95.9	Very high	95.7	Very high	38 Å²	38	44.5 Å²	44.5	20%	0.203	25%	0.252	C	S	.	.			trans	-115.2	115.1	-177.8	-177.8	-17.6	0	0	0	111.2	K501 R505 F506	K501-D503 VanDerWaalsContact C-N 3.26Å; K501-D503 PolarHBondContact O-N 2.8Å; D503-R505 PolarHBondContact O-N 2.83Å; D503-R505 WeakPolarHBondContact OD1-CB 3.45Å; D503-R505 WeakPolarHBondContact OD1-CG 3.45Å; D503-R505 PolarHBondContact OD1-N 3.26Å; D503-R505 IonicContact OD1-NE 3.15Å; D503-R505 PolarHBondContact OD1-NE 3.32Å; D503-R505 VanDerWaalsContact OD1-NE 3.15Å; D503-R505 IonicContact OD2-CZ 3.79Å; D503-R505 IonicContact OD2-NE 2.9Å; D503-R505 PolarHBondContact OD2-NE 3.04Å; D503-R505 IonicContact OD2-NH2 2.91Å; D503-R505 PolarHBondContact OD2-NH2 2.84Å; D503-F506 HydrophobicContact CB-CD2 3.73Å; D503-F506 HydrophobicContact CB-CE2 3.87Å; D503-F506 PolarHBondContact O-N 2.95Å; D503-F506 WeakPolarHBondContact OD2-CE2 3.47Å
504	E	96.5	Very high	96	Very high	170 Å²	170	44 Å²	44	79%	0.794	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-59	-22.3	-177.5	-64	-170.6	163.9	0	0	113.5	F506 S507 N535	E504-F506 PolarHBondContact O-N 3.3Å; E504-F506 VanDerWaalsContact O-N 3.14Å; E504-S507 PolarHBondContact O-N 2.71Å; E504-S507 PolarHBondContact O-OG 2.87Å; E504-S507 VanDerWaalsContact O-OG 3.13Å; E504-N535 PolarHBondContact O-ND2 3.28Å
505	R	97.4	Very high	96	Very high	100 Å²	100	46.9 Å²	46.9	38%	0.377	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-62.1	-18.2	176.4	-61.3	180	-64.8	174.3	-0.2	112.5	D503 T534 N535 D606	D503-R505 PolarHBondContact O-N 2.83Å; D503-R505 WeakPolarHBondContact OD1-CB 3.45Å; D503-R505 WeakPolarHBondContact OD1-CG 3.45Å; D503-R505 PolarHBondContact OD1-N 3.26Å; D503-R505 IonicContact OD1-NE 3.15Å; D503-R505 PolarHBondContact OD1-NE 3.32Å; D503-R505 VanDerWaalsContact OD1-NE 3.15Å; D503-R505 IonicContact OD2-CZ 3.79Å; D503-R505 IonicContact OD2-NE 2.9Å; D503-R505 PolarHBondContact OD2-NE 3.04Å; D503-R505 IonicContact OD2-NH2 2.91Å; D503-R505 PolarHBondContact OD2-NH2 2.84Å; R505-T534 CarbonylContact O-C 3.55Å; R505-T534 WeakPolarHBondContact O-CA 3.45Å; R505-N535 PolarHBondContact O-N 3.48Å; R505-N535 PolarHBondContact O-OD1 3.05Å; R505-D606 IonicContact CZ-OD2 3.61Å; R505-D606 IonicContact NH1-OD2 3.79Å; R505-D606 PolarHBondContact NH1-OD2 2.89Å; R505-D606 IonicContact NH2-OD2 2.71Å; R505-D606 PolarHBondContact NH2-OD2 2.84Å
506	F	97.9	Very high	95.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-107.3	9.4	-179.9	-52.5	-63.7	0	0	0	114	L500 D503 E504 Q508 L509 V510 A532 T534 L609 V616 A618	L500-F506 HydrophobicContact CB-CB 4.39Å; L500-F506 HydrophobicContact CD2-CB 4Å; L500-F506 HydrophobicContact CD2-CD1 4.07Å; L500-F506 HydrophobicContact CD2-CD2 3.74Å; L500-F506 HydrophobicContact CD2-CE2 4.22Å; L500-F506 HydrophobicContact CD2-CG 3.66Å; D503-F506 HydrophobicContact CB-CD2 3.73Å; D503-F506 HydrophobicContact CB-CE2 3.87Å; D503-F506 PolarHBondContact O-N 2.95Å; D503-F506 WeakPolarHBondContact OD2-CE2 3.47Å; E504-F506 PolarHBondContact O-N 3.3Å; E504-F506 VanDerWaalsContact O-N 3.14Å; F506-Q508 VanDerWaalsContact C-N 3.31Å; F506-Q508 PolarHBondContact O-N 3.11Å; F506-L509 HydrophobicContact CB-CB 4.32Å; F506-L509 HydrophobicContact CD1-CD2 4.26Å; F506-L509 CarbonylContact O-C 3.6Å; F506-L509 WeakPolarHBondContact O-CA 3.35Å; F506-L509 VanDerWaalsContact O-CB 3.31Å; F506-L509 WeakPolarHBondContact O-CB 3.36Å; F506-L509 PolarHBondContact O-N 3.48Å; F506-V510 WeakPolarHBondContact O-CG2 3.33Å; F506-V510 PolarHBondContact O-N 2.85Å; F506-A532 HydrophobicContact CD1-CB 3.98Å; F506-A532 HydrophobicContact CE1-CB 3.71Å; F506-A532 HydrophobicContact CZ-CB 4.39Å; F506-T534 HydrophobicContact CD1-CG2 4.45Å; F506-T534 HydrophobicContact CE1-CG2 3.9Å; F506-L609 HydrophobicContact CE2-CD1 4.15Å; F506-L609 HydrophobicContact CZ-CD1 4.12Å; F506-V616 HydrophobicContact CZ-CG1 4.43Å; F506-A618 HydrophobicContact CE1-CB 3.98Å; F506-A618 HydrophobicContact CZ-CB 3.79Å
507	S	97.5	Very high	95.8	Very high	70 Å²	70	49.7 Å²	49.7	49%	0.49	29%	0.287	S	S	.	.	H	α-helix	trans	-56.5	-38.1	-175.2	57.9	0	0	0	0	114.4	E504 V510 G511 N535	E504-S507 PolarHBondContact O-N 2.71Å; E504-S507 PolarHBondContact O-OG 2.87Å; E504-S507 VanDerWaalsContact O-OG 3.13Å; S507-V510 PolarHBondContact O-N 2.98Å; S507-G511 PolarHBondContact O-N 2.98Å; S507-N535 PolarHBondContact OG-ND2 3.05Å
508	Q	95.8	Very high	95.7	Very high	79 Å²	79	49.9 Å²	49.9	37%	0.369	29%	0.288	S	S	.	.	H	α-helix	trans	-70.5	-36.5	174.5	-64.4	-177.2	25.8	0	0	112.3	F506 G511 A512 N535 F538	F506-Q508 VanDerWaalsContact C-N 3.31Å; F506-Q508 PolarHBondContact O-N 3.11Å; Q508-G511 PolarHBondContact O-N 3.06Å; Q508-A512 WeakPolarHBondContact O-CB 3.43Å; Q508-A512 PolarHBondContact O-N 3.49Å; Q508-N535 VanDerWaalsContact CB-OD1 3.26Å; Q508-N535 WeakPolarHBondContact CB-OD1 3.5Å; Q508-N535 VanDerWaalsContact CG-OD1 3.3Å; Q508-N535 WeakPolarHBondContact CG-OD1 3.5Å; Q508-N535 PolarHBondContact N-OD1 3.21Å; Q508-F538 HydrophobicContact CB-CD1 4.35Å; Q508-F538 HydrophobicContact CB-CD2 4.09Å; Q508-F538 HydrophobicContact CB-CE2 4.41Å; Q508-F538 HydrophobicContact CB-CG 4.08Å
509	L	96.8	Very high	95.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63.8	-42.2	175.2	-178.8	60.1	0	0	0	111.3	L500 F506 G511 A512 I513 F530 A532 F538 L560	L500-L509 HydrophobicContact CD2-CD2 4.1Å; F506-L509 HydrophobicContact CB-CB 4.32Å; F506-L509 HydrophobicContact CD1-CD2 4.26Å; F506-L509 CarbonylContact O-C 3.6Å; F506-L509 WeakPolarHBondContact O-CA 3.35Å; F506-L509 VanDerWaalsContact O-CB 3.31Å; F506-L509 WeakPolarHBondContact O-CB 3.36Å; F506-L509 PolarHBondContact O-N 3.48Å; L509-G511 VanDerWaalsContact C-N 3.34Å; L509-G511 PolarHBondContact O-N 3.22Å; L509-A512 WeakPolarHBondContact O-CB 2.94Å; L509-A512 PolarHBondContact O-N 3.44Å; L509-A512 VanDerWaalsContact O-N 3.14Å; L509-I513 HydrophobicContact CD1-CD1 4.22Å; L509-I513 HydrophobicContact CD1-CG1 4.33Å; L509-I513 HydrophobicContact CD2-CD1 4.48Å; L509-I513 HydrophobicContact CG-CD1 3.81Å; L509-I513 HydrophobicContact CG-CG1 4.4Å; L509-I513 WeakPolarHBondContact O-CD1 3.41Å; L509-I513 VanDerWaalsContact O-CG1 3.28Å; L509-I513 WeakPolarHBondContact O-CG1 3.46Å; L509-I513 PolarHBondContact O-N 2.86Å; L509-F530 HydrophobicContact CD1-CZ 4.19Å; L509-F530 HydrophobicContact CD2-CE1 4.19Å; L509-F530 HydrophobicContact CD2-CZ 3.93Å; L509-F530 HydrophobicContact CG-CZ 4.4Å; L509-A532 HydrophobicContact CD2-CB 3.57Å; L509-F538 HydrophobicContact CB-CE2 3.83Å; L509-F538 HydrophobicContact CB-CZ 4.18Å; L509-F538 HydrophobicContact CD1-CE2 4.15Å; L509-F538 HydrophobicContact CD1-CZ 4Å; L509-L560 HydrophobicContact CD1-CD2 3.63Å
510	V	97	Very high	95.4	Very high	18 Å²	18	54 Å²	54	11%	0.109	31%	0.307	C	S	.	.	H	α-helix	trans	-57.9	-46.3	175.8	168.3	0	0	0	0	110.8	M497 L500 K501 F506 S507 A512 I513 Q514	M497-V510 HydrophobicContact CE-CB 4.01Å; M497-V510 HydrophobicContact CE-CG1 3.55Å; M497-V510 HydrophobicContact CE-CG2 3.68Å; L500-V510 HydrophobicContact CB-CG2 4.02Å; K501-V510 HydrophobicContact CG-CG1 4.38Å; K501-V510 HydrophobicContact CG-CG2 4.41Å; F506-V510 WeakPolarHBondContact O-CG2 3.33Å; F506-V510 PolarHBondContact O-N 2.85Å; S507-V510 PolarHBondContact O-N 2.98Å; V510-A512 VanDerWaalsContact C-N 3.34Å; V510-A512 PolarHBondContact O-N 3.04Å; V510-I513 PolarHBondContact O-N 3.42Å; V510-Q514 WeakPolarHBondContact O-CG 3.49Å; V510-Q514 PolarHBondContact O-N 2.93Å; V510-Q514 VanDerWaalsContact O-N 3.1Å
511	G	94.8	Very high	95.1	Very high	28 Å²	28	56.3 Å²	56.3	29%	0.289	32%	0.319	S	S	.	.	H	α-helix	trans	-63.8	-36.9	174.9	0	0	0	0	0	113.2	S507 Q508 L509 Q514 T515	S507-G511 PolarHBondContact O-N 2.98Å; Q508-G511 PolarHBondContact O-N 3.06Å; L509-G511 VanDerWaalsContact C-N 3.34Å; L509-G511 PolarHBondContact O-N 3.22Å; G511-Q514 PolarHBondContact O-N 2.92Å; G511-T515 WeakPolarHBondContact O-CB 3.39Å; G511-T515 PolarHBondContact O-N 3.4Å; G511-T515 PolarHBondContact O-OG1 2.79Å
512	A	94.5	Very high	95	Very high	2 Å²	2	51.1 Å²	51.1	2%	0.017	30%	0.297	C	S	.	.	H	α-helix	trans	-66.4	-42	175.7	0	0	0	0	0	112.3	Q508 L509 V510 Q514 T515 A516 F538 L556	Q508-A512 WeakPolarHBondContact O-CB 3.43Å; Q508-A512 PolarHBondContact O-N 3.49Å; L509-A512 WeakPolarHBondContact O-CB 2.94Å; L509-A512 PolarHBondContact O-N 3.44Å; L509-A512 VanDerWaalsContact O-N 3.14Å; V510-A512 VanDerWaalsContact C-N 3.34Å; V510-A512 PolarHBondContact O-N 3.04Å; A512-Q514 VanDerWaalsContact C-N 3.35Å; A512-Q514 PolarHBondContact O-N 2.96Å; A512-T515 PolarHBondContact O-N 3.2Å; A512-A516 VanDerWaalsContact O-CB 3.27Å; A512-A516 WeakPolarHBondContact O-CB 3.42Å; A512-A516 PolarHBondContact O-N 3.29Å; A512-F538 HydrophobicContact CB-CE1 4.16Å; A512-F538 HydrophobicContact CB-CZ 4.08Å; A512-L556 HydrophobicContact CB-CD1 4.37Å; A512-L556 HydrophobicContact CB-CD2 4.13Å; A512-L556 WeakPolarHBondContact O-CD2 3.15Å
513	I	95.9	Very high	94.8	Very high	1 Å²	1	50 Å²	50	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-61.3	-43.5	176.2	-72.1	160.9	0	0	0	111.1	M497 L500 L509 V510 A516 G517 M518 L522 F530 L560	M497-I513 HydrophobicContact SD-CG2 4.06Å; L500-I513 HydrophobicContact CD1-CD1 3.8Å; L509-I513 HydrophobicContact CD1-CD1 4.22Å; L509-I513 HydrophobicContact CD1-CG1 4.33Å; L509-I513 HydrophobicContact CD2-CD1 4.48Å; L509-I513 HydrophobicContact CG-CD1 3.81Å; L509-I513 HydrophobicContact CG-CG1 4.4Å; L509-I513 WeakPolarHBondContact O-CD1 3.41Å; L509-I513 VanDerWaalsContact O-CG1 3.28Å; L509-I513 WeakPolarHBondContact O-CG1 3.46Å; L509-I513 PolarHBondContact O-N 2.86Å; V510-I513 PolarHBondContact O-N 3.42Å; I513-A516 PolarHBondContact O-N 3.4Å; I513-G517 PolarHBondContact O-N 3.25Å; I513-M518 HydrophobicContact CG2-CB 4.1Å; I513-M518 PolarHBondContact O-N 3.08Å; I513-L522 HydrophobicContact CD1-CD1 3.65Å; I513-L522 HydrophobicContact CG1-CD1 4.18Å; I513-L522 HydrophobicContact CG2-CD1 3.87Å; I513-F530 HydrophobicContact CD1-CE1 3.93Å; I513-F530 HydrophobicContact CD1-CZ 4.22Å; I513-L560 HydrophobicContact CG1-CD1 4.11Å
514	Q	94.1	Very high	94.4	Very high	110 Å²	110	53.2 Å²	53.2	51%	0.514	29%	0.29	S	S	.	.	H	α-helix	trans	-63.3	-46.3	176.9	-71.6	173.1	-7.3	0	0	111.3	V510 G511 A512 A516 G517	V510-Q514 WeakPolarHBondContact O-CG 3.49Å; V510-Q514 PolarHBondContact O-N 2.93Å; V510-Q514 VanDerWaalsContact O-N 3.1Å; G511-Q514 PolarHBondContact O-N 2.92Å; A512-Q514 VanDerWaalsContact C-N 3.35Å; A512-Q514 PolarHBondContact O-N 2.96Å; Q514-A516 VanDerWaalsContact C-N 3.28Å; Q514-A516 PolarHBondContact O-N 3.49Å; Q514-G517 PolarHBondContact O-N 3.02Å; Q514-G517 VanDerWaalsContact O-N 3.1Å
515	T	92.4	Very high	93.7	Very high	76 Å²	76	54.4 Å²	54.4	47%	0.466	30%	0.296	S	S	.	.	H	α-helix	trans	-61.2	-37.2	176.8	-54.3	0	0	0	0	112	G511 A512 G517 L556	G511-T515 WeakPolarHBondContact O-CB 3.39Å; G511-T515 PolarHBondContact O-N 3.4Å; G511-T515 PolarHBondContact O-OG1 2.79Å; A512-T515 PolarHBondContact O-N 3.2Å; T515-G517 VanDerWaalsContact C-N 3.26Å; T515-G517 PolarHBondContact O-N 3.24Å; T515-L556 HydrophobicContact CG2-CD2 4.38Å
516	A	94.1	Very high	93	Very high	16 Å²	16	51.6 Å²	51.6	13%	0.132	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-3.3	177.8	0	0	0	0	0	114.2	A512 I513 Q514 M518 L556 A557 L560	A512-A516 VanDerWaalsContact O-CB 3.27Å; A512-A516 WeakPolarHBondContact O-CB 3.42Å; A512-A516 PolarHBondContact O-N 3.29Å; I513-A516 PolarHBondContact O-N 3.4Å; Q514-A516 VanDerWaalsContact C-N 3.28Å; Q514-A516 PolarHBondContact O-N 3.49Å; A516-M518 VanDerWaalsContact C-N 3.29Å; A516-M518 HydrophobicContact CB-CG 4.09Å; A516-M518 HydrophobicContact CB-SD 4.16Å; A516-M518 PolarHBondContact O-N 2.91Å; A516-L556 HydrophobicContact CB-CD2 4.19Å; A516-L556 HydrophobicContact CB-CG 4.13Å; A516-A557 HydrophobicContact CB-CB 3.99Å; A516-L560 HydrophobicContact CB-CD1 3.92Å
517	G	93.8	Very high	92.7	Very high	63 Å²	63	53.8 Å²	53.8	65%	0.649	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	25.9	-177.7	0	0	0	0	0	114.3	I513 Q514 T515	I513-G517 PolarHBondContact O-N 3.25Å; Q514-G517 PolarHBondContact O-N 3.02Å; Q514-G517 VanDerWaalsContact O-N 3.1Å; T515-G517 VanDerWaalsContact C-N 3.26Å; T515-G517 PolarHBondContact O-N 3.24Å
518	M	94.3	Very high	92.5	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.02	30%	0.298	C	S	.	.			trans	-99.2	2.7	-173.8	-69.7	-179.7	64	0	0	114.4	I513 A516 E520 L521 L522 A557 L560 R561 L564	I513-M518 HydrophobicContact CG2-CB 4.1Å; I513-M518 PolarHBondContact O-N 3.08Å; A516-M518 VanDerWaalsContact C-N 3.29Å; A516-M518 HydrophobicContact CB-CG 4.09Å; A516-M518 HydrophobicContact CB-SD 4.16Å; A516-M518 PolarHBondContact O-N 2.91Å; M518-E520 VanDerWaalsContact C-N 3.32Å; M518-E520 PolarHBondContact O-N 3.24Å; M518-L521 HydrophobicContact CE-CD2 4.18Å; M518-L521 PolarHBondContact O-N 2.86Å; M518-L522 PolarHBondContact O-N 3.44Å; M518-A557 HydrophobicContact CG-CB 4.45Å; M518-A557 HydrophobicContact SD-CB 3.96Å; M518-L560 HydrophobicContact CE-CB 3.91Å; M518-L560 HydrophobicContact SD-CB 3.63Å; M518-L560 HydrophobicContact SD-CD1 4.04Å; M518-L560 HydrophobicContact SD-CG 4.49Å; M518-R561 HydrophobicContact CE-CG 3.73Å; M518-R561 HydrophobicContact SD-CG 4.38Å; M518-L564 HydrophobicContact CE-CD1 3.5Å
519	T	93.9	Very high	92.6	Very high	39 Å²	39	47.7 Å²	47.7	24%	0.239	28%	0.28	C	S	.	.	H	α-helix	trans	-55.9	-45.1	-177.9	-50.9	0	0	0	0	112.4	M497 L521 L522 H523	M497-T519 HydrophobicContact CG-CG2 4.35Å; M497-T519 HydrophobicContact SD-CG2 4.37Å; T519-L521 PolarHBondContact O-N 3.29Å; T519-L522 PolarHBondContact O-N 3.44Å; T519-H523 PolarHBondContact O-CD2 3.28Å; T519-H523 PolarHBondContact O-N 3.07Å
520	E	91.8	Very high	92.6	Very high	121 Å²	121	47.8 Å²	47.8	57%	0.565	28%	0.281	S	S	*	.	H	α-helix	trans	-64.7	-40.4	-177.9	-171.3	59	-156.3	0	0	111.9	M518 L522 H523 Q524	M518-E520 VanDerWaalsContact C-N 3.32Å; M518-E520 PolarHBondContact O-N 3.24Å; E520-L522 PolarHBondContact O-N 2.86Å; E520-H523 PolarHBondContact O-N 3.42Å; E520-Q524 HydrophobicContact CG-CG 4.42Å; E520-Q524 VanDerWaalsContact O-CG 3.31Å; E520-Q524 WeakPolarHBondContact O-CG 3.35Å; E520-Q524 PolarHBondContact O-N 2.81Å
521	L	91.8	Very high	92.7	Very high	51 Å²	51	47 Å²	47	27%	0.267	28%	0.276	S	S	.	.	H	α-helix	trans	-59.5	-33.3	176.8	-179.8	127.4	0	0	0	112.2	M518 T519 L528 L564 L583	M518-L521 HydrophobicContact CE-CD2 4.18Å; M518-L521 PolarHBondContact O-N 2.86Å; T519-L521 PolarHBondContact O-N 3.29Å; L521-L528 HydrophobicContact CD2-CD1 4.41Å; L521-L564 HydrophobicContact CD2-CD1 3.74Å; L521-L583 HydrophobicContact CD1-CD1 4.2Å; L521-L583 HydrophobicContact CD2-CD1 3.97Å
522	L	92.8	Very high	92.8	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-86.5	-10.8	178.7	-62.8	-179	0	0	0	114	L496 M497 L500 I513 M518 T519 E520 F530 L564 N613	L496-L522 HydrophobicContact CB-CB 4.33Å; L496-L522 HydrophobicContact CB-CD2 4.33Å; L496-L522 HydrophobicContact CD1-CD2 3.94Å; M497-L522 HydrophobicContact CB-CB 4.16Å; M497-L522 HydrophobicContact SD-CD1 4.29Å; L500-L522 HydrophobicContact CD1-CD1 4.31Å; I513-L522 HydrophobicContact CD1-CD1 3.65Å; I513-L522 HydrophobicContact CG1-CD1 4.18Å; I513-L522 HydrophobicContact CG2-CD1 3.87Å; M518-L522 PolarHBondContact O-N 3.44Å; T519-L522 PolarHBondContact O-N 3.44Å; E520-L522 PolarHBondContact O-N 2.86Å; L522-F530 HydrophobicContact CD1-CD1 4.44Å; L522-F530 HydrophobicContact CD1-CE1 3.96Å; L522-F530 HydrophobicContact CD2-CD1 4.37Å; L522-L564 HydrophobicContact CD2-CD1 4.1Å; L522-L564 HydrophobicContact CD2-CD2 3.8Å; L522-N613 PolarHBondContact O-ND2 2.92Å
523	H	91.3	Very high	93	Very high	63 Å²	63	45.5 Å²	45.5	29%	0.292	26%	0.261	S	S	.	.	H	α-helix	trans	-92.9	-27.9	169.4	-82.3	-66.5	0	0	0	112.6	T495 M497 D498 T519 E520	T495-H523 PolarHBondContact OG1-ND1 3.35Å; M497-H523 WeakPolarHBondContact CG-NE2 3.47Å; D498-H523 IonicContact OD1-CE1 3.68Å; T519-H523 PolarHBondContact O-CD2 3.28Å; T519-H523 PolarHBondContact O-N 3.07Å; E520-H523 PolarHBondContact O-N 3.42Å
524	Q	88.3	Confident	93.1	Very high	105 Å²	105	45.7 Å²	45.7	49%	0.491	26%	0.262	S	S	.	.	S	Bend	trans	-60.9	146.7	180	-79.2	175.8	6.8	0	0	112.6	E520 G526 N613	E520-Q524 HydrophobicContact CG-CG 4.42Å; E520-Q524 VanDerWaalsContact O-CG 3.31Å; E520-Q524 WeakPolarHBondContact O-CG 3.35Å; E520-Q524 PolarHBondContact O-N 2.81Å; Q524-G526 PolarHBondContact O-N 3.27Å; Q524-N613 WeakPolarHBondContact O-CB 3.45Å; Q524-N613 PolarHBondContact O-ND2 3.08Å
525	Q	81.6	Confident	93.2	Very high	196 Å²	196	41.8 Å²	41.8	92%	0.916	25%	0.245	S	C	*	.	S	Bend	trans	-65.4	134.6	173.6	-68.7	-129.8	-15.4	0	0	110.5
526	G	83.5	Confident	93.3	Very high	41 Å²	41	43 Å²	43	42%	0.423	25%	0.245	S	C	.	.	S	Bend	trans	178.8	174.7	-177.8	0	0	0	0	0	110.8	Q524 N613	Q524-G526 PolarHBondContact O-N 3.27Å; G526-N613 CarbonylContact C-O 3.53Å; G526-N613 CarbonylContact O-C 3.55Å; G526-N613 VanDerWaalsContact O-CA 3.22Å; G526-N613 WeakPolarHBondContact O-CA 3.36Å
527	A	89.8	Confident	93.4	Very high	46 Å²	46	42.2 Å²	42.2	38%	0.38	24%	0.239	S	C	.	.			trans	-113.9	97.8	170	0	0	0	0	0	107.2	G567 L568	A527-G567 CarbonylContact O-C 3.52Å; A527-G567 WeakPolarHBondContact O-CA 3.3Å; A527-G567 PolarHBondContact O-N 3.35Å; A527-L568 HydrophobicContact CB-CD1 3.91Å; A527-L568 HydrophobicContact CB-CG 3.9Å
528	L	95.3	Very high	93.4	Very high	21 Å²	21	39.6 Å²	39.6	11%	0.11	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	148.1	-179.3	-64.9	175.7	0	0	0	111.1	L496 L521 L564 G565 G567 L583 N613 G614 V615	L496-L528 HydrophobicContact CD1-CB 3.86Å; L496-L528 HydrophobicContact CD1-CD1 4.2Å; L521-L528 HydrophobicContact CD2-CD1 4.41Å; L528-L564 HydrophobicContact CD1-CD2 4.5Å; L528-G565 WeakPolarHBondContact CA-O 3.39Å; L528-G567 CarbonylContact C-O 3.57Å; L528-L583 HydrophobicContact CD2-CD1 4.4Å; L528-L583 HydrophobicContact CD2-CD2 4.25Å; L528-N613 PolarHBondContact N-O 3.03Å; L528-G614 CarbonylContact O-C 3.35Å; L528-G614 WeakPolarHBondContact O-CA 3.37Å; L528-V615 PolarHBondContact O-N 2.92Å
529	T	97.1	Very high	93.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	112.4	171.2	-62.3	0	0	0	0	108.2	F531 L564 G565 G567 L569 L580 V615	T529-F531 HydrophobicContact CG2-CE1 4.38Å; T529-F531 HydrophobicContact CG2-CE2 3.87Å; T529-F531 HydrophobicContact CG2-CZ 3.68Å; T529-L564 CarbonylContact O-C 3.42Å; T529-G565 PolarHBondContact N-O 3.4Å; T529-G565 PolarHBondContact O-N 3.32Å; T529-G567 PolarHBondContact N-O 2.96Å; T529-G567 PolarHBondContact OG1-O 3.18Å; T529-L569 HydrophobicContact CG2-CB 4.3Å; T529-L569 PolarHBondContact OG1-N 2.04Å; T529-L580 HydrophobicContact CG2-CD2 3.99Å; T529-V615 CarbonylContact C-O 3.57Å; T529-V615 WeakPolarHBondContact CA-O 3.18Å; T529-V615 HydrophobicContact CG2-CG1 3.98Å
530	F	97.4	Very high	93.3	Very high	1 Å²	1	49.8 Å²	49.8	0%	0.004	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	112.3	-178.2	-166.9	-176.8	0	0	0	111	L496 L500 L509 I513 L522 A532 H563 L564 V615 V616 H617	L496-F530 HydrophobicContact CD2-CB 4.43Å; L500-F530 HydrophobicContact CD1-CD1 3.84Å; L500-F530 HydrophobicContact CD1-CE1 3.53Å; L509-F530 HydrophobicContact CD1-CZ 4.19Å; L509-F530 HydrophobicContact CD2-CE1 4.19Å; L509-F530 HydrophobicContact CD2-CZ 3.93Å; L509-F530 HydrophobicContact CG-CZ 4.4Å; I513-F530 HydrophobicContact CD1-CE1 3.93Å; I513-F530 HydrophobicContact CD1-CZ 4.22Å; L522-F530 HydrophobicContact CD1-CD1 4.44Å; L522-F530 HydrophobicContact CD1-CE1 3.96Å; L522-F530 HydrophobicContact CD2-CD1 4.37Å; F530-A532 HydrophobicContact CG-CB 4.49Å; F530-A532 PolarHBondContact O-N 3.35Å; F530-A532 VanDerWaalsContact O-N 3.14Å; F530-H563 HydrophobicContact CD2-CB 4.07Å; F530-H563 HydrophobicContact CE2-CB 3.79Å; F530-L564 HydrophobicContact CB-CD2 3.59Å; F530-L564 HydrophobicContact CD1-CD2 3.97Å; F530-L564 HydrophobicContact CD2-CD2 3.73Å; F530-L564 HydrophobicContact CD2-CG 3.93Å; F530-L564 HydrophobicContact CE2-CD2 4.4Å; F530-L564 HydrophobicContact CE2-CG 4.24Å; F530-L564 HydrophobicContact CG-CD2 3.5Å; F530-L564 HydrophobicContact CG-CG 4.21Å; F530-V615 PolarHBondContact N-O 2.9Å; F530-V616 HydrophobicContact CB-CG2 4.4Å; F530-V616 CarbonylContact O-C 3.58Å; F530-V616 WeakPolarHBondContact O-CA 3.06Å; F530-H617 PolarHBondContact O-N 3.49Å
531	F	97.9	Very high	93.3	Very high	1 Å²	1	44.9 Å²	44.9	0%	0.004	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	89.1	166	-59.4	-76.2	0	0	0	109.5	T529 P533 H563 L580 L588 L590 V599 V604 H617 V619 I623	T529-F531 HydrophobicContact CG2-CE1 4.38Å; T529-F531 HydrophobicContact CG2-CE2 3.87Å; T529-F531 HydrophobicContact CG2-CZ 3.68Å; F531-P533 VanDerWaalsContact O-CD 3.27Å; F531-P533 WeakPolarHBondContact O-CD 3.33Å; F531-H563 PolarHBondContact N-O 2.87Å; F531-H563 WeakPolarHBondContact O-CB 3.47Å; F531-H563 PolarHBondContact O-CD2 2.88Å; F531-L580 HydrophobicContact CE2-CD2 3.76Å; F531-L580 HydrophobicContact CZ-CD2 4.17Å; F531-L588 HydrophobicContact CD2-CD1 3.85Å; F531-L588 HydrophobicContact CE2-CD1 3.76Å; F531-L590 HydrophobicContact CE1-CD2 3.92Å; F531-L590 HydrophobicContact CE2-CD2 4.49Å; F531-L590 HydrophobicContact CZ-CD2 3.52Å; F531-V599 HydrophobicContact CD1-CB 4.22Å; F531-V599 HydrophobicContact CD1-CG1 3.8Å; F531-V599 HydrophobicContact CD1-CG2 4.43Å; F531-V599 HydrophobicContact CD2-CG2 4.24Å; F531-V599 HydrophobicContact CE1-CB 4.17Å; F531-V599 HydrophobicContact CE1-CG1 4.23Å; F531-V599 HydrophobicContact CE1-CG2 4.37Å; F531-V599 HydrophobicContact CE2-CG2 4.18Å; F531-V599 HydrophobicContact CG-CG1 4.16Å; F531-V599 HydrophobicContact CG-CG2 4.4Å; F531-V599 HydrophobicContact CZ-CG2 4.3Å; F531-V604 HydrophobicContact CD1-CG2 4.39Å; F531-V604 HydrophobicContact CE1-CG2 4.49Å; F531-H617 CarbonylContact C-O 3.55Å; F531-H617 VanDerWaalsContact CA-O 3.26Å; F531-H617 WeakPolarHBondContact CA-O 3.47Å; F531-H617 HydrophobicContact CD1-CB 3.68Å; F531-H617 HydrophobicContact CE1-CB 3.97Å; F531-H617 AromaticContact CE1-CD2 3.56Å; F531-V619 HydrophobicContact CB-CG1 4.27Å; F531-V619 HydrophobicContact CB-CG2 4.46Å; F531-V619 HydrophobicContact CD1-CG1 4.47Å; F531-I623 HydrophobicContact CB-CD1 3.37Å; F531-I623 HydrophobicContact CD2-CD1 3.93Å; F531-I623 HydrophobicContact CG-CD1 3.7Å
532	A	97.8	Very high	93.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	116	-171.3	0	0	0	0	0	112	L500 F506 L509 F530 T534 V616 H617 A618 V619	L500-A532 HydrophobicContact CD2-CB 3.77Å; F506-A532 HydrophobicContact CD1-CB 3.98Å; F506-A532 HydrophobicContact CE1-CB 3.71Å; F506-A532 HydrophobicContact CZ-CB 4.39Å; L509-A532 HydrophobicContact CD2-CB 3.57Å; F530-A532 HydrophobicContact CG-CB 4.49Å; F530-A532 PolarHBondContact O-N 3.35Å; F530-A532 VanDerWaalsContact O-N 3.14Å; A532-T534 PolarHBondContact O-N 2.92Å; A532-V616 HydrophobicContact CB-CG1 3.47Å; A532-V616 VanDerWaalsContact CB-CG1 3.47Å; A532-H617 PolarHBondContact N-O 3.29Å; A532-A618 WeakPolarHBondContact O-CA 3.44Å; A532-V619 PolarHBondContact O-N 2.93Å
533	P	97.4	Very high	93.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	127.4	173.9	-18.4	32.8	0	0	0	111.5	F531 A537 F538 V619 F622	F531-P533 VanDerWaalsContact O-CD 3.27Å; F531-P533 WeakPolarHBondContact O-CD 3.33Å; P533-A537 HydrophobicContact CB-CB 3.68Å; P533-F538 HydrophobicContact CB-CD2 4.43Å; P533-F538 HydrophobicContact CB-CE2 4.02Å; P533-V619 WeakPolarHBondContact CA-O 3.32Å; P533-V619 HydrophobicContact CB-CG2 4.44Å; P533-V619 HydrophobicContact CG-CG2 4.35Å; P533-F622 HydrophobicContact CB-CD2 4.44Å; P533-F622 HydrophobicContact CB-CE1 4.49Å; P533-F622 HydrophobicContact CB-CE2 4.15Å; P533-F622 HydrophobicContact CB-CZ 4.19Å; P533-F622 HydrophobicContact CG-CD1 4.27Å; P533-F622 HydrophobicContact CG-CE1 4.11Å; P533-F622 HydrophobicContact CG-CZ 4.29Å
534	T	97.9	Very high	93.1	Very high	5 Å²	5	51.3 Å²	51.3	3%	0.031	29%	0.294	C	S	.	.			trans	-75.3	167.3	175.6	63.5	0	0	0	0	111.5	R505 F506 A532 E536 A537 F538 A618 V619 N620	R505-T534 CarbonylContact O-C 3.55Å; R505-T534 WeakPolarHBondContact O-CA 3.45Å; F506-T534 HydrophobicContact CD1-CG2 4.45Å; F506-T534 HydrophobicContact CE1-CG2 3.9Å; A532-T534 PolarHBondContact O-N 2.92Å; T534-E536 PolarHBondContact O-N 3Å; T534-E536 PolarHBondContact OG1-N 3.12Å; T534-A537 WeakPolarHBondContact O-CA 3.23Å; T534-A537 WeakPolarHBondContact O-CB 3.21Å; T534-A537 PolarHBondContact O-N 3.48Å; T534-F538 WeakPolarHBondContact O-CD2 3.42Å; T534-F538 PolarHBondContact O-N 3.37Å; T534-A618 HydrophobicContact CG2-CB 4.06Å; T534-V619 PolarHBondContact N-O 3.18Å; T534-N620 WeakPolarHBondContact CG2-OD1 3.46Å; T534-N620 PolarHBondContact OG1-OD1 3.38Å
535	N	96.6	Very high	93.1	Very high	27 Å²	27	49.1 Å²	49.1	14%	0.144	28%	0.284	C	S	.	.	H	α-helix	trans	-55.8	-23.1	171.8	-68.4	-18.1	0	0	0	112.9	E504 R505 S507 Q508 R539	E504-N535 PolarHBondContact O-ND2 3.28Å; R505-N535 PolarHBondContact O-N 3.48Å; R505-N535 PolarHBondContact O-OD1 3.05Å; S507-N535 PolarHBondContact OG-ND2 3.05Å; Q508-N535 VanDerWaalsContact CB-OD1 3.26Å; Q508-N535 WeakPolarHBondContact CB-OD1 3.5Å; Q508-N535 VanDerWaalsContact CG-OD1 3.3Å; Q508-N535 WeakPolarHBondContact CG-OD1 3.5Å; Q508-N535 PolarHBondContact N-OD1 3.21Å; N535-R539 VanDerWaalsContact O-CG 3.3Å; N535-R539 WeakPolarHBondContact O-CG 3.43Å; N535-R539 PolarHBondContact O-N 3.11Å; N535-R539 PolarHBondContact O-NE 3.01Å; N535-R539 VanDerWaalsContact O-NE 3.17Å
536	E	95.6	Very high	93.4	Very high	101 Å²	101	41.7 Å²	41.7	47%	0.472	25%	0.25	S	S	.	.	H	α-helix	trans	-68.9	-43.4	170.4	-167.7	-179.5	171.3	0	0	111.7	T534 F538 R539 A540 N620	T534-E536 PolarHBondContact O-N 3Å; T534-E536 PolarHBondContact OG1-N 3.12Å; E536-F538 VanDerWaalsContact C-N 3.3Å; E536-F538 PolarHBondContact O-N 3.01Å; E536-R539 PolarHBondContact O-N 3.24Å; E536-A540 WeakPolarHBondContact O-CB 3.41Å; E536-A540 PolarHBondContact O-N 2.91Å; E536-N620 PolarHBondContact OE2-ND2 3.45Å; E536-N620 VanDerWaalsContact OE2-ND2 3.07Å
537	A	95.2	Very high	93.6	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.008	25%	0.25	C	S	.	.	H	α-helix	trans	-59	-40.3	175.5	0	0	0	0	0	112.6	P533 T534 A540 N620 F622	P533-A537 HydrophobicContact CB-CB 3.68Å; T534-A537 WeakPolarHBondContact O-CA 3.23Å; T534-A537 WeakPolarHBondContact O-CB 3.21Å; T534-A537 PolarHBondContact O-N 3.48Å; A537-A540 PolarHBondContact O-N 2.8Å; A537-N620 VanDerWaalsContact CA-O 3.3Å; A537-N620 WeakPolarHBondContact CA-O 3.45Å; A537-N620 VanDerWaalsContact CB-C 3.43Å; A537-F622 HydrophobicContact CB-CD2 4.29Å; A537-F622 HydrophobicContact CB-CE2 4.38Å
538	F	94.2	Very high	93.5	Very high	7 Å²	7	45.9 Å²	45.9	3%	0.031	25%	0.253	C	S	.	.	H	α-helix	trans	-67.6	-41.1	175.5	-78	-95.4	0	0	0	112.4	Q508 L509 A512 P533 T534 E536 A540 L541 L546 F622	Q508-F538 HydrophobicContact CB-CD1 4.35Å; Q508-F538 HydrophobicContact CB-CD2 4.09Å; Q508-F538 HydrophobicContact CB-CE2 4.41Å; Q508-F538 HydrophobicContact CB-CG 4.08Å; L509-F538 HydrophobicContact CB-CE2 3.83Å; L509-F538 HydrophobicContact CB-CZ 4.18Å; L509-F538 HydrophobicContact CD1-CE2 4.15Å; L509-F538 HydrophobicContact CD1-CZ 4Å; A512-F538 HydrophobicContact CB-CE1 4.16Å; A512-F538 HydrophobicContact CB-CZ 4.08Å; P533-F538 HydrophobicContact CB-CD2 4.43Å; P533-F538 HydrophobicContact CB-CE2 4.02Å; T534-F538 WeakPolarHBondContact O-CD2 3.42Å; T534-F538 PolarHBondContact O-N 3.37Å; E536-F538 VanDerWaalsContact C-N 3.3Å; E536-F538 PolarHBondContact O-N 3.01Å; F538-A540 VanDerWaalsContact C-N 3.26Å; F538-A540 PolarHBondContact O-N 2.86Å; F538-L541 PolarHBondContact O-N 3Å; F538-L546 HydrophobicContact CD1-CD1 3.94Å; F538-F622 HydrophobicContact CD1-CE2 4.19Å; F538-F622 AromaticContact CD1-CZ 3.98Å; F538-F622 HydrophobicContact CD1-CZ 3.98Å; F538-F622 HydrophobicContact CD2-CE2 4.21Å; F538-F622 HydrophobicContact CD2-CZ 4.26Å; F538-F622 HydrophobicContact CE1-CE2 4.37Å; F538-F622 AromaticContact CE1-CZ 3.71Å; F538-F622 HydrophobicContact CE1-CZ 3.71Å; F538-F622 HydrophobicContact CE2-CE2 4.36Å; F538-F622 AromaticContact CE2-CZ 3.98Å; F538-F622 HydrophobicContact CE2-CZ 3.98Å; F538-F622 HydrophobicContact CG-CE2 4.12Å; F538-F622 HydrophobicContact CG-CZ 4.25Å; F538-F622 HydrophobicContact CZ-CE2 4.44Å; F538-F622 AromaticContact CZ-CZ 3.7Å; F538-F622 HydrophobicContact CZ-CZ 3.7Å
539	R	93.4	Very high	93.1	Very high	184 Å²	184	45.1 Å²	45.1	69%	0.694	25%	0.249	S	C	*	.	H	α-helix	trans	-66.6	-27.4	175.7	-75.3	-178.4	-68.6	165.3	1.2	113	N535 E536 L541	N535-R539 VanDerWaalsContact O-CG 3.3Å; N535-R539 WeakPolarHBondContact O-CG 3.43Å; N535-R539 PolarHBondContact O-N 3.11Å; N535-R539 PolarHBondContact O-NE 3.01Å; N535-R539 VanDerWaalsContact O-NE 3.17Å; E536-R539 PolarHBondContact O-N 3.24Å; R539-L541 VanDerWaalsContact C-N 3.27Å; R539-L541 PolarHBondContact O-N 3.17Å
540	A	93.5	Very high	92.5	Very high	74 Å²	74	49 Å²	49	61%	0.612	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-15	176.9	0	0	0	0	0	113.5	E536 A537 F538	E536-A540 WeakPolarHBondContact O-CB 3.41Å; E536-A540 PolarHBondContact O-N 2.91Å; A537-A540 PolarHBondContact O-N 2.8Å; F538-A540 VanDerWaalsContact C-N 3.26Å; F538-A540 PolarHBondContact O-N 2.86Å
541	L	90.7	Very high	92.1	Very high	17 Å²	17	59.7 Å²	59.7	9%	0.089	31%	0.309	C	S	.	.	S	Bend	trans	-75	140.7	175.8	-72	178.2	0	0	0	111.5	F538 R539 L546 L549 F622	F538-L541 PolarHBondContact O-N 3Å; R539-L541 VanDerWaalsContact C-N 3.27Å; R539-L541 PolarHBondContact O-N 3.17Å; L541-L546 HydrophobicContact CB-CB 4.4Å; L541-L546 HydrophobicContact CD1-CD1 4.37Å; L541-L549 HydrophobicContact CD1-CD1 4.02Å; L541-F622 HydrophobicContact CD1-CD2 3.6Å; L541-F622 HydrophobicContact CD1-CE2 3.37Å; L541-F622 HydrophobicContact CD1-CG 4.33Å; L541-F622 HydrophobicContact CD1-CZ 3.92Å; L541-F622 HydrophobicContact CD2-CD2 4.04Å; L541-F622 HydrophobicContact CG-CD2 3.81Å; L541-F622 HydrophobicContact CG-CE2 3.96Å
542	P	92.9	Very high	91.8	Very high	66 Å²	66	63 Å²	63	43%	0.429	33%	0.327	S	S	.	.			trans	-55.2	135.8	170.4	-24.2	33.6	0	0	0	111.2	A544 E545 L546	P542-A544 PolarHBondContact O-N 3.36Å; P542-A544 VanDerWaalsContact O-N 3.09Å; P542-E545 HydrophobicContact CB-CB 4.24Å; P542-E545 WeakPolarHBondContact CD-OE2 3.45Å; P542-E545 HydrophobicContact CG-CB 4.49Å; P542-E545 WeakPolarHBondContact O-CA 3.49Å; P542-E545 WeakPolarHBondContact O-CB 3.44Å; P542-E545 PolarHBondContact O-N 2.94Å; P542-L546 PolarHBondContact O-N 3.46Å
543	P	89.1	Confident	91.5	Very high	104 Å²	104	65 Å²	65	68%	0.675	34%	0.343	S	S	*	.	H	α-helix	trans	-55.9	-33.8	-175.8	-28.9	34.9	0	0	0	114.3	S547	P543-S547 VanDerWaalsContact O-CB 3.3Å; P543-S547 WeakPolarHBondContact O-CB 3.41Å; P543-S547 PolarHBondContact O-N 3.29Å; P543-S547 PolarHBondContact O-OG 3.42Å
544	A	90.1	Very high	91.1	Very high	80 Å²	80	71.4 Å²	71.4	66%	0.661	38%	0.378	S	S	*	.	H	α-helix	trans	-66.5	-39.9	175.3	0	0	0	0	0	112.3	P542 R548	P542-A544 PolarHBondContact O-N 3.36Å; P542-A544 VanDerWaalsContact O-N 3.09Å; A544-R548 VanDerWaalsContact O-CB 3.29Å; A544-R548 WeakPolarHBondContact O-CB 3.13Å; A544-R548 PolarHBondContact O-N 2.88Å; A544-R548 VanDerWaalsContact O-N 3.07Å
545	E	89.1	Confident	90.8	Very high	60 Å²	60	74.1 Å²	74.1	28%	0.28	39%	0.39	S	S	.	.	H	α-helix	trans	-69.3	-46.5	177.6	-172.4	172.4	-174.8	0	0	110.7	P542 S547 R548 L549 R624	P542-E545 HydrophobicContact CB-CB 4.24Å; P542-E545 WeakPolarHBondContact CD-OE2 3.45Å; P542-E545 HydrophobicContact CG-CB 4.49Å; P542-E545 WeakPolarHBondContact O-CA 3.49Å; P542-E545 WeakPolarHBondContact O-CB 3.44Å; P542-E545 PolarHBondContact O-N 2.94Å; E545-S547 PolarHBondContact O-N 3.39Å; E545-R548 WeakPolarHBondContact O-CB 3.14Å; E545-R548 PolarHBondContact O-N 2.94Å; E545-L549 HydrophobicContact CG-CD1 4.28Å; E545-L549 VanDerWaalsContact O-CG 3.29Å; E545-L549 WeakPolarHBondContact O-CG 3.49Å; E545-L549 PolarHBondContact O-N 2.84Å; E545-R624 IonicContact OE2-NH2 2.73Å
546	L	87.9	Confident	90.5	Very high	39 Å²	39	73 Å²	73	20%	0.204	38%	0.384	C	S	.	.	H	α-helix	trans	-58.9	-47.1	176.5	-179.4	60.7	0	0	0	111.8	F538 L541 P542 R548 L549 L550	F538-L546 HydrophobicContact CD1-CD1 3.94Å; L541-L546 HydrophobicContact CB-CB 4.4Å; L541-L546 HydrophobicContact CD1-CD1 4.37Å; P542-L546 PolarHBondContact O-N 3.46Å; L546-R548 VanDerWaalsContact C-N 3.28Å; L546-R548 PolarHBondContact O-N 3.09Å; L546-L549 PolarHBondContact O-N 3.3Å; L546-L550 HydrophobicContact CD1-CD1 3.99Å; L546-L550 HydrophobicContact CD1-CG 4.17Å; L546-L550 HydrophobicContact CG-CD1 4.04Å; L546-L550 WeakPolarHBondContact O-CG 3.46Å; L546-L550 PolarHBondContact O-N 3.17Å
547	S	87.4	Confident	90.4	Very high	61 Å²	61	68.4 Å²	68.4	43%	0.427	36%	0.363	S	S	.	.	H	α-helix	trans	-61.8	-36.6	177.8	-61.4	0	0	0	0	112.4	P543 E545 R551	P543-S547 VanDerWaalsContact O-CB 3.3Å; P543-S547 WeakPolarHBondContact O-CB 3.41Å; P543-S547 PolarHBondContact O-N 3.29Å; P543-S547 PolarHBondContact O-OG 3.42Å; E545-S547 PolarHBondContact O-N 3.39Å; S547-R551 VanDerWaalsContact O-CG 3.29Å; S547-R551 WeakPolarHBondContact O-CG 3.31Å; S547-R551 PolarHBondContact O-N 3.12Å
548	R	87.9	Confident	90.2	Very high	114 Å²	114	69.5 Å²	69.5	43%	0.43	37%	0.373	S	S	.	.	H	α-helix	trans	-68.1	-41.9	176.6	-171.1	-173.6	72.1	74.3	9.4	111.4	A544 E545 L546	A544-R548 VanDerWaalsContact O-CB 3.29Å; A544-R548 WeakPolarHBondContact O-CB 3.13Å; A544-R548 PolarHBondContact O-N 2.88Å; A544-R548 VanDerWaalsContact O-N 3.07Å; E545-R548 WeakPolarHBondContact O-CB 3.14Å; E545-R548 PolarHBondContact O-N 2.94Å; L546-R548 VanDerWaalsContact C-N 3.28Å; L546-R548 PolarHBondContact O-N 3.09Å
549	L	85.9	Confident	90.1	Very high	6 Å²	6	71.1 Å²	71.1	3%	0.031	38%	0.381	C	S	.	.	H	α-helix	trans	-64.4	-45.4	178	-71.4	175.3	0	0	0	112	L541 E545 L546 R551 N552 Q555 I559	L541-L549 HydrophobicContact CD1-CD1 4.02Å; E545-L549 HydrophobicContact CG-CD1 4.28Å; E545-L549 VanDerWaalsContact O-CG 3.29Å; E545-L549 WeakPolarHBondContact O-CG 3.49Å; E545-L549 PolarHBondContact O-N 2.84Å; L546-L549 PolarHBondContact O-N 3.3Å; L549-R551 VanDerWaalsContact C-N 3.27Å; L549-R551 PolarHBondContact O-N 3.2Å; L549-N552 PolarHBondContact O-N 2.84Å; L549-Q555 HydrophobicContact CD2-CG 4.25Å; L549-I559 HydrophobicContact CD1-CD1 4.47Å; L549-I559 HydrophobicContact CD2-CD1 3.23Å; L549-I559 HydrophobicContact CG-CD1 4.47Å
550	L	85.1	Confident	90.2	Very high	81 Å²	81	62.4 Å²	62.4	42%	0.424	35%	0.349	S	S	.	.	H	α-helix	trans	-69.9	-21.4	-178	-67.3	173.9	0	0	0	113.7	L546 L556	L546-L550 HydrophobicContact CD1-CD1 3.99Å; L546-L550 HydrophobicContact CD1-CG 4.17Å; L546-L550 HydrophobicContact CG-CD1 4.04Å; L546-L550 WeakPolarHBondContact O-CG 3.46Å; L546-L550 PolarHBondContact O-N 3.17Å; L550-L556 HydrophobicContact CD2-CD2 4.35Å
551	R	89.3	Confident	90.2	Very high	225 Å²	225	62.9 Å²	62.9	85%	0.849	33%	0.334	S	S	*	.	H	α-helix	trans	-81.4	-17.7	176.9	-74.7	177	-172.2	-128.4	3.4	114	S547 L549	S547-R551 VanDerWaalsContact O-CG 3.29Å; S547-R551 WeakPolarHBondContact O-CG 3.31Å; S547-R551 PolarHBondContact O-N 3.12Å; L549-R551 VanDerWaalsContact C-N 3.27Å; L549-R551 PolarHBondContact O-N 3.2Å
552	N	91.2	Very high	90.4	Very high	70 Å²	70	62.7 Å²	62.7	37%	0.374	33%	0.334	S	S	.	.			trans	-121.2	95.9	-176.8	-173.6	-29.2	0	0	0	110	L549 D554 Q555 L556	L549-N552 PolarHBondContact O-N 2.84Å; N552-D554 VanDerWaalsContact C-N 3.29Å; N552-D554 PolarHBondContact O-N 2.83Å; N552-D554 PolarHBondContact OD1-N 2.93Å; N552-Q555 HydrophobicContact CB-CB 4.03Å; N552-Q555 PolarHBondContact O-N 3.37Å; N552-Q555 PolarHBondContact OD1-N 3.21Å; N552-L556 WeakPolarHBondContact O-CB 3.35Å; N552-L556 PolarHBondContact O-N 3.01Å
553	A	91.1	Very high	90.6	Very high	42 Å²	42	59.6 Å²	59.6	35%	0.347	31%	0.313	S	S	.	.	H	α-helix	trans	-58.9	-38.3	-177.7	0	0	0	0	0	112.7	L556 A557	A553-L556 PolarHBondContact O-N 3.36Å; A553-A557 VanDerWaalsContact O-CB 3.27Å; A553-A557 WeakPolarHBondContact O-CB 3.23Å; A553-A557 PolarHBondContact O-N 3.45Å
554	D	90	Very high	90.9	Very high	135 Å²	135	54.6 Å²	54.6	72%	0.722	28%	0.281	S	S	*	.	H	α-helix	trans	-66.8	-42.2	179.4	-66.9	-36.6	0	0	0	111.8	N552 A557 A558	N552-D554 VanDerWaalsContact C-N 3.29Å; N552-D554 PolarHBondContact O-N 2.83Å; N552-D554 PolarHBondContact OD1-N 2.93Å; D554-A557 PolarHBondContact O-N 3.21Å; D554-A558 WeakPolarHBondContact O-CB 2.99Å; D554-A558 PolarHBondContact O-N 3.22Å
555	Q	89.9	Confident	91.2	Very high	62 Å²	62	50.8 Å²	50.8	29%	0.29	25%	0.25	S	C	.	.	H	α-helix	trans	-68.5	-39.7	176.8	-174.6	168.4	21.8	0	0	112	L549 N552 A557 A558 I559	L549-Q555 HydrophobicContact CD2-CG 4.25Å; N552-Q555 HydrophobicContact CB-CB 4.03Å; N552-Q555 PolarHBondContact O-N 3.37Å; N552-Q555 PolarHBondContact OD1-N 3.21Å; Q555-A557 VanDerWaalsContact C-N 3.35Å; Q555-A558 PolarHBondContact O-N 3.33Å; Q555-I559 HydrophobicContact CG-CD1 4.24Å; Q555-I559 PolarHBondContact O-N 2.71Å; Q555-I559 VanDerWaalsContact O-N 3.1Å
556	L	91.8	Very high	91.3	Very high	4 Å²	4	53.4 Å²	53.4	2%	0.021	26%	0.262	C	S	.	.	H	α-helix	trans	-61.3	-46.2	174.2	-177.4	60.4	0	0	0	110.7	A512 T515 A516 L550 N552 A553 A558 I559 L560	A512-L556 HydrophobicContact CB-CD1 4.37Å; A512-L556 HydrophobicContact CB-CD2 4.13Å; A512-L556 WeakPolarHBondContact O-CD2 3.15Å; T515-L556 HydrophobicContact CG2-CD2 4.38Å; A516-L556 HydrophobicContact CB-CD2 4.19Å; A516-L556 HydrophobicContact CB-CG 4.13Å; L550-L556 HydrophobicContact CD2-CD2 4.35Å; N552-L556 WeakPolarHBondContact O-CB 3.35Å; N552-L556 PolarHBondContact O-N 3.01Å; A553-L556 PolarHBondContact O-N 3.36Å; L556-A558 VanDerWaalsContact C-N 3.32Å; L556-A558 PolarHBondContact O-N 3.4Å; L556-I559 PolarHBondContact O-N 2.87Å; L556-L560 HydrophobicContact CD1-CD1 4.44Å; L556-L560 HydrophobicContact CD1-CG 4.47Å; L556-L560 HydrophobicContact CG-CD1 4.19Å; L556-L560 WeakPolarHBondContact O-CG 3.47Å; L556-L560 PolarHBondContact O-N 3.06Å
557	A	93.1	Very high	91.5	Very high	4 Å²	4	53 Å²	53	3%	0.033	27%	0.267	C	S	.	.	H	α-helix	trans	-61.4	-40.3	177.1	0	0	0	0	0	111.8	A516 M518 A553 D554 Q555 I559 L560 R561	A516-A557 HydrophobicContact CB-CB 3.99Å; M518-A557 HydrophobicContact CG-CB 4.45Å; M518-A557 HydrophobicContact SD-CB 3.96Å; A553-A557 VanDerWaalsContact O-CB 3.27Å; A553-A557 WeakPolarHBondContact O-CB 3.23Å; A553-A557 PolarHBondContact O-N 3.45Å; D554-A557 PolarHBondContact O-N 3.21Å; Q555-A557 VanDerWaalsContact C-N 3.35Å; A557-I559 PolarHBondContact O-N 2.82Å; A557-L560 PolarHBondContact O-N 3.3Å; A557-R561 VanDerWaalsContact CB-NH1 3.33Å; A557-R561 WeakPolarHBondContact O-CB 3.44Å; A557-R561 VanDerWaalsContact O-CG 3.3Å; A557-R561 WeakPolarHBondContact O-CG 3.09Å; A557-R561 PolarHBondContact O-N 2.86Å
558	A	91.6	Very high	91.8	Very high	25 Å²	25	51 Å²	51	21%	0.207	25%	0.252	C	S	.	.	H	α-helix	trans	-60.8	-42.3	175.8	0	0	0	0	0	112.9	D554 Q555 L556 R561 L562 Q584	D554-A558 WeakPolarHBondContact O-CB 2.99Å; D554-A558 PolarHBondContact O-N 3.22Å; Q555-A558 PolarHBondContact O-N 3.33Å; L556-A558 VanDerWaalsContact C-N 3.32Å; L556-A558 PolarHBondContact O-N 3.4Å; A558-R561 PolarHBondContact O-N 2.98Å; A558-L562 PolarHBondContact O-N 3.12Å; A558-Q584 VanDerWaalsContact CB-NE2 3.3Å
559	I	91.9	Very high	92.1	Very high	41 Å²	41	46.1 Å²	46.1	21%	0.21	23%	0.234	C	C	.	.	H	α-helix	trans	-70	-41.2	177.8	-71.6	162	0	0	0	111.2	L549 Q555 L556 A557 R561 L562 H563 F622	L549-I559 HydrophobicContact CD1-CD1 4.47Å; L549-I559 HydrophobicContact CD2-CD1 3.23Å; L549-I559 HydrophobicContact CG-CD1 4.47Å; Q555-I559 HydrophobicContact CG-CD1 4.24Å; Q555-I559 PolarHBondContact O-N 2.71Å; Q555-I559 VanDerWaalsContact O-N 3.1Å; L556-I559 PolarHBondContact O-N 2.87Å; A557-I559 PolarHBondContact O-N 2.82Å; I559-R561 VanDerWaalsContact C-N 3.3Å; I559-R561 PolarHBondContact O-N 3.24Å; I559-L562 VanDerWaalsContact O-CB 3.3Å; I559-L562 WeakPolarHBondContact O-CB 3.02Å; I559-L562 PolarHBondContact O-N 3.47Å; I559-L562 VanDerWaalsContact O-N 3.14Å; I559-H563 PolarHBondContact O-N 3.41Å; I559-H563 PolarHBondContact O-ND1 2.03Å; I559-F622 HydrophobicContact CG2-CD1 4Å; I559-F622 HydrophobicContact CG2-CE1 4.23Å
560	L	94.3	Very high	92.6	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-65	-35.8	176.4	-68.2	176.7	0	0	0	111.7	L509 I513 A516 M518 L556 A557 L562 H563 L564	L509-L560 HydrophobicContact CD1-CD2 3.63Å; I513-L560 HydrophobicContact CG1-CD1 4.11Å; A516-L560 HydrophobicContact CB-CD1 3.92Å; M518-L560 HydrophobicContact CE-CB 3.91Å; M518-L560 HydrophobicContact SD-CB 3.63Å; M518-L560 HydrophobicContact SD-CD1 4.04Å; M518-L560 HydrophobicContact SD-CG 4.49Å; L556-L560 HydrophobicContact CD1-CD1 4.44Å; L556-L560 HydrophobicContact CD1-CG 4.47Å; L556-L560 HydrophobicContact CG-CD1 4.19Å; L556-L560 WeakPolarHBondContact O-CG 3.47Å; L556-L560 PolarHBondContact O-N 3.06Å; A557-L560 PolarHBondContact O-N 3.3Å; L560-L562 VanDerWaalsContact C-N 3.29Å; L560-L562 PolarHBondContact O-N 3.29Å; L560-H563 WeakPolarHBondContact O-CB 3.34Å; L560-H563 PolarHBondContact O-N 2.84Å; L560-L564 PolarHBondContact O-N 3Å
561	R	94.9	Very high	93	Very high	83 Å²	83	42.8 Å²	42.8	31%	0.313	22%	0.218	S	C	.	.	H	α-helix	trans	-65.6	-27.9	172.4	-74.6	-177	-174.2	100.5	3.5	113.5	M518 A557 A558 I559 H563 L564 L583 Q584	M518-R561 HydrophobicContact CE-CG 3.73Å; M518-R561 HydrophobicContact SD-CG 4.38Å; A557-R561 VanDerWaalsContact CB-NH1 3.33Å; A557-R561 WeakPolarHBondContact O-CB 3.44Å; A557-R561 VanDerWaalsContact O-CG 3.3Å; A557-R561 WeakPolarHBondContact O-CG 3.09Å; A557-R561 PolarHBondContact O-N 2.86Å; A558-R561 PolarHBondContact O-N 2.98Å; I559-R561 VanDerWaalsContact C-N 3.3Å; I559-R561 PolarHBondContact O-N 3.24Å; R561-H563 VanDerWaalsContact C-N 3.26Å; R561-H563 PolarHBondContact O-N 3.05Å; R561-L564 PolarHBondContact O-N 2.86Å; R561-L583 HydrophobicContact CB-CB 4.01Å; R561-L583 HydrophobicContact CG-CB 4.23Å; R561-L583 PolarHBondContact O-N 3.18Å; R561-Q584 HydrophobicContact CB-CB 3.54Å; R561-Q584 PolarHBondContact O-N 2.94Å
562	L	94.8	Very high	93.2	Very high	14 Å²	14	32.7 Å²	32.7	7%	0.073	18%	0.184	C	C	.	.	H	α-helix	trans	-65.2	-31.1	170.1	179.7	66	0	0	0	112.2	A558 I559 L560 L564 P582 Q584 L588 P625	A558-L562 PolarHBondContact O-N 3.12Å; I559-L562 VanDerWaalsContact O-CB 3.3Å; I559-L562 WeakPolarHBondContact O-CB 3.02Å; I559-L562 PolarHBondContact O-N 3.47Å; I559-L562 VanDerWaalsContact O-N 3.14Å; L560-L562 VanDerWaalsContact C-N 3.29Å; L560-L562 PolarHBondContact O-N 3.29Å; L562-L564 VanDerWaalsContact C-N 3.31Å; L562-P582 HydrophobicContact CD1-CB 4.31Å; L562-P582 HydrophobicContact CD1-CG 4.02Å; L562-P582 WeakPolarHBondContact O-CB 3.41Å; L562-Q584 WeakPolarHBondContact CA-O 3.25Å; L562-Q584 WeakPolarHBondContact CD1-O 3.35Å; L562-L588 HydrophobicContact CD1-CD2 3.91Å; L562-L588 HydrophobicContact CG-CD2 4.38Å; L562-P625 HydrophobicContact CD2-CG 4.06Å
563	H	96.4	Very high	93.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-9.6	179.1	-67.6	67.7	0	0	0	112.9	F530 F531 I559 L560 R561 F622 I623	F530-H563 HydrophobicContact CD2-CB 4.07Å; F530-H563 HydrophobicContact CE2-CB 3.79Å; F531-H563 PolarHBondContact N-O 2.87Å; F531-H563 WeakPolarHBondContact O-CB 3.47Å; F531-H563 PolarHBondContact O-CD2 2.88Å; I559-H563 PolarHBondContact O-N 3.41Å; I559-H563 PolarHBondContact O-ND1 2.03Å; L560-H563 WeakPolarHBondContact O-CB 3.34Å; L560-H563 PolarHBondContact O-N 2.84Å; R561-H563 VanDerWaalsContact C-N 3.26Å; R561-H563 PolarHBondContact O-N 3.05Å; H563-F622 AromaticContact CE1-CD1 3.83Å; H563-F622 AromaticContact NE2-CD1 3.89Å; H563-I623 PolarHBondContact NE2-N 2.92Å
564	L	95.9	Very high	93.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	106.4	179.9	-76.2	163.2	0	0	0	110.5	M518 L521 L522 L528 T529 F530 L560 R561 L562 P582 L583	M518-L564 HydrophobicContact CE-CD1 3.5Å; L521-L564 HydrophobicContact CD2-CD1 3.74Å; L522-L564 HydrophobicContact CD2-CD1 4.1Å; L522-L564 HydrophobicContact CD2-CD2 3.8Å; L528-L564 HydrophobicContact CD1-CD2 4.5Å; T529-L564 CarbonylContact O-C 3.42Å; F530-L564 HydrophobicContact CB-CD2 3.59Å; F530-L564 HydrophobicContact CD1-CD2 3.97Å; F530-L564 HydrophobicContact CD2-CD2 3.73Å; F530-L564 HydrophobicContact CD2-CG 3.93Å; F530-L564 HydrophobicContact CE2-CD2 4.4Å; F530-L564 HydrophobicContact CE2-CG 4.24Å; F530-L564 HydrophobicContact CG-CD2 3.5Å; F530-L564 HydrophobicContact CG-CG 4.21Å; L560-L564 PolarHBondContact O-N 3Å; R561-L564 PolarHBondContact O-N 2.86Å; L562-L564 VanDerWaalsContact C-N 3.31Å; L564-P582 CarbonylContact O-C 3.55Å; L564-P582 WeakPolarHBondContact O-CA 3.45Å; L564-L583 HydrophobicContact CB-CD1 3.78Å; L564-L583 HydrophobicContact CB-CG 3.99Å; L564-L583 HydrophobicContact CD1-CD1 4.08Å; L564-L583 PolarHBondContact O-N 2.85Å
565	G	95.2	Very high	93.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	144.3	172.2	0	0	0	0	0	113.5	L528 T529 A581	L528-G565 WeakPolarHBondContact CA-O 3.39Å; T529-G565 PolarHBondContact N-O 3.4Å; T529-G565 PolarHBondContact O-N 3.32Å; G565-A581 WeakPolarHBondContact CA-O 3.42Å
566	Q	92.6	Very high	92.8	Very high	114 Å²	114	25.8 Å²	25.8	53%	0.533	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	131.9	168.3	-64.1	-177.8	11.5	0	0	110.7	L580 A581 L583	Q566-L580 VanDerWaalsContact O-CD1 3.24Å; Q566-L580 WeakPolarHBondContact O-CD1 3.4Å; Q566-A581 PolarHBondContact N-O 2.96Å; Q566-L583 HydrophobicContact CG-CD2 3.75Å
567	G	91.8	Very high	92.2	Very high	30 Å²	30	33.5 Å²	33.5	31%	0.309	19%	0.192	S	C	.	.	S	Bend	trans	89.8	164.8	-176.4	0	0	0	0	0	113.2	A527 L528 T529	A527-G567 CarbonylContact O-C 3.52Å; A527-G567 WeakPolarHBondContact O-CA 3.3Å; A527-G567 PolarHBondContact O-N 3.35Å; L528-G567 CarbonylContact C-O 3.57Å; T529-G567 PolarHBondContact N-O 2.96Å; T529-G567 PolarHBondContact OG1-O 3.18Å
568	L	92.6	Very high	92.2	Very high	21 Å²	21	34.4 Å²	34.4	11%	0.11	20%	0.197	C	C	.	.			trans	-93.5	113.8	176.7	-85.1	160.1	0	0	0	110.2	F457 Y459 A527 V615	F457-L568 HydrophobicContact CD1-CB 4.28Å; F457-L568 HydrophobicContact CE1-CB 3.96Å; F457-L568 HydrophobicContact CE1-CD1 3.5Å; F457-L568 VanDerWaalsContact CE1-CD1 3.5Å; F457-L568 HydrophobicContact CE1-CG 4.28Å; F457-L568 HydrophobicContact CZ-CB 4.31Å; F457-L568 HydrophobicContact CZ-CD1 3.74Å; F457-L568 HydrophobicContact CZ-CG 4.42Å; Y459-L568 PolarHBondContact OH-O 2.77Å; A527-L568 HydrophobicContact CB-CD1 3.91Å; A527-L568 HydrophobicContact CB-CG 3.9Å; L568-V615 HydrophobicContact CD2-CB 4.05Å; L568-V615 HydrophobicContact CD2-CG1 3.99Å
569	L	95.5	Very high	92.3	Very high	10 Å²	10	40.7 Å²	40.7	5%	0.052	22%	0.216	C	C	.	.			trans	-123.3	97.1	177.2	-179.3	62.4	0	0	0	109.6	Y459 T529 V574 T578 L580 L590 H617	Y459-L569 HydrophobicContact CD1-CD1 4.46Å; Y459-L569 HydrophobicContact CE1-CD1 3.91Å; Y459-L569 WeakPolarHBondContact OH-CA 3.4Å; T529-L569 HydrophobicContact CG2-CB 4.3Å; T529-L569 PolarHBondContact OG1-N 2.04Å; L569-V574 HydrophobicContact CD1-CG2 4.2Å; L569-V574 HydrophobicContact CD2-CG2 4.2Å; L569-V574 HydrophobicContact CG-CG2 4.08Å; L569-T578 HydrophobicContact CD1-CG2 4.14Å; L569-T578 HydrophobicContact CD2-CG2 3.69Å; L569-L580 HydrophobicContact CB-CD1 4.44Å; L569-L580 HydrophobicContact CD2-CB 4.46Å; L569-L580 HydrophobicContact CD2-CD1 4.29Å; L569-L580 HydrophobicContact CD2-CD2 4.26Å; L569-L590 HydrophobicContact CD2-CD1 4.09Å; L569-L590 HydrophobicContact CD2-CD2 3.92Å; L569-H617 PolarHBondContact O-NE2 2.86Å
570	V	95.8	Very high	92.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.209	C	C	.	.			trans	-76.8	161.7	169.1	-58.5	0	0	0	0	110.4	F457 Y459 C464 G572 G573 D608 M610 V615	F457-V570 HydrophobicContact CD2-CG1 4.22Å; F457-V570 HydrophobicContact CE2-CG1 4.23Å; Y459-V570 HydrophobicContact CE2-CG2 3.75Å; Y459-V570 PolarHBondContact OH-N 3.13Å; Y459-V570 VanDerWaalsContact OH-N 3.16Å; C464-V570 HydrophobicContact CB-CG2 4.16Å; V570-G572 VanDerWaalsContact C-N 3.26Å; V570-G572 PolarHBondContact O-N 3.15Å; V570-G573 WeakPolarHBondContact O-CA 3.25Å; V570-G573 PolarHBondContact O-N 3.41Å; V570-D608 VanDerWaalsContact CA-OD1 3.31Å; V570-D608 WeakPolarHBondContact CA-OD1 3.21Å; V570-D608 WeakPolarHBondContact CB-OD1 2.99Å; V570-M610 HydrophobicContact CG1-CE 4.03Å; V570-M610 HydrophobicContact CG1-SD 3.99Å; V570-V615 HydrophobicContact CG1-CG2 4.48Å
571	S	94	Very high	92.5	Very high	17 Å²	17	41.3 Å²	41.3	12%	0.119	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-57.8	-38.1	-176.6	67.3	0	0	0	0	112.5	K487 G573 V574 D608	K487-S571 PolarHBondContact NZ-OG 3.27Å; S571-G573 PolarHBondContact O-N 2.96Å; S571-V574 WeakPolarHBondContact O-CB 3.41Å; S571-V574 PolarHBondContact O-N 3.46Å; S571-D608 WeakPolarHBondContact CB-OD2 3.1Å; S571-D608 PolarHBondContact N-OD1 2.72Å; S571-D608 PolarHBondContact OG-OD1 2.95Å; S571-D608 PolarHBondContact OG-OD2 3.48Å
572	G	92.1	Very high	92.5	Very high	14 Å²	14	37.9 Å²	37.9	14%	0.144	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-66.8	-17.7	174.8	0	0	0	0	0	113.9	N462 V570 V574	N462-G572 WeakPolarHBondContact CB-O 3.48Å; N462-G572 PolarHBondContact ND2-O 3.13Å; V570-G572 VanDerWaalsContact C-N 3.26Å; V570-G572 PolarHBondContact O-N 3.15Å; G572-V574 VanDerWaalsContact C-N 3.33Å
573	G	91.6	Very high	92.4	Very high	8 Å²	8	39.9 Å²	39.9	8%	0.082	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-82	-8.3	170.9	0	0	0	0	0	114.2	Y459 V570 S571	Y459-G573 VanDerWaalsContact CD2-CA 3.42Å; V570-G573 WeakPolarHBondContact O-CA 3.25Å; V570-G573 PolarHBondContact O-N 3.41Å; S571-G573 PolarHBondContact O-N 2.96Å
574	V	93	Very high	92.2	Very high	11 Å²	11	44 Å²	44	7%	0.067	24%	0.243	C	C	.	.			trans	-84.9	124.8	-178.4	-173.6	0	0	0	0	110.4	L569 S571 G572 L590 V592 V597	L569-V574 HydrophobicContact CD1-CG2 4.2Å; L569-V574 HydrophobicContact CD2-CG2 4.2Å; L569-V574 HydrophobicContact CG-CG2 4.08Å; S571-V574 WeakPolarHBondContact O-CB 3.41Å; S571-V574 PolarHBondContact O-N 3.46Å; G572-V574 VanDerWaalsContact C-N 3.33Å; V574-L590 HydrophobicContact CG1-CB 3.75Å; V574-L590 HydrophobicContact CG2-CD2 4.28Å; V574-V592 HydrophobicContact CB-CG2 3.93Å; V574-V592 HydrophobicContact CG1-CG2 3.81Å; V574-V597 HydrophobicContact CB-CG2 4.5Å; V574-V597 HydrophobicContact CG1-CG1 4.31Å; V574-V597 HydrophobicContact CG2-CG1 4.09Å; V574-V597 HydrophobicContact CG2-CG2 4.39Å
575	S	88.4	Confident	91.8	Very high	51 Å²	51	46.8 Å²	46.8	36%	0.357	27%	0.272	S	S	.	.			trans	-119.3	175.7	174.5	70.3	0	0	0	0	109.9	H577 T578	S575-H577 PolarHBondContact O-N 3.41Å; S575-T578 PolarHBondContact N-OG1 3.1Å; S575-T578 PolarHBondContact O-N 2.94Å; S575-T578 PolarHBondContact OG-OG1 3.15Å; S575-T578 VanDerWaalsContact OG-OG1 3.06Å
576	S	81.3	Confident	91.5	Very high	93 Å²	93	52 Å²	52	65%	0.65	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-9.9	-174.7	-45	0	0	0	0	116
577	H	80.4	Confident	91.6	Very high	166 Å²	166	53.1 Å²	53.1	77%	0.769	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.5	24.8	-177.5	-55.6	95.4	0	0	0	113	S575 R579	S575-H577 PolarHBondContact O-N 3.41Å; H577-R579 PolarHBondContact O-N 3.22Å
578	T	92.3	Very high	91.7	Very high	23 Å²	23	51.7 Å²	51.7	14%	0.141	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	130.8	-179.6	-64.9	0	0	0	0	109.7	L569 S575 L590	L569-T578 HydrophobicContact CD1-CG2 4.14Å; L569-T578 HydrophobicContact CD2-CG2 3.69Å; S575-T578 PolarHBondContact N-OG1 3.1Å; S575-T578 PolarHBondContact O-N 2.94Å; S575-T578 PolarHBondContact OG-OG1 3.15Å; S575-T578 VanDerWaalsContact OG-OG1 3.06Å; T578-L590 HydrophobicContact CG2-CB 4.36Å; T578-L590 HydrophobicContact CG2-CD1 4.41Å; T578-L590 PolarHBondContact N-O 2.82Å; T578-L590 PolarHBondContact O-N 3.25Å
579	R	93.5	Very high	91.8	Very high	157 Å²	157	53.9 Å²	53.9	59%	0.592	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.3	130.4	176	-71.2	179.5	168.9	179.7	-8.5	109.5	H577 L588 E589	H577-R579 PolarHBondContact O-N 3.22Å; R579-L588 VanDerWaalsContact CA-O 3.29Å; R579-L588 WeakPolarHBondContact CA-O 3.05Å; R579-E589 IonicContact CZ-OE1 3.82Å; R579-E589 IonicContact NE-OE1 3.5Å; R579-E589 IonicContact NH2-OE1 3.83Å; R579-E589 PolarHBondContact NH2-OE1 3.43Å
580	L	94.6	Very high	91.7	Very high	15 Å²	15	53.8 Å²	53.8	8%	0.079	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	131.5	-179.8	-169.4	68.1	0	0	0	109.7	T529 F531 Q566 L569 P582 K587 L588 L590	T529-L580 HydrophobicContact CG2-CD2 3.99Å; F531-L580 HydrophobicContact CE2-CD2 3.76Å; F531-L580 HydrophobicContact CZ-CD2 4.17Å; Q566-L580 VanDerWaalsContact O-CD1 3.24Å; Q566-L580 WeakPolarHBondContact O-CD1 3.4Å; L569-L580 HydrophobicContact CB-CD1 4.44Å; L569-L580 HydrophobicContact CD2-CB 4.46Å; L569-L580 HydrophobicContact CD2-CD1 4.29Å; L569-L580 HydrophobicContact CD2-CD2 4.26Å; L580-P582 WeakPolarHBondContact O-CD 3.38Å; L580-K587 WeakPolarHBondContact O-CA 3.4Å; L580-L588 HydrophobicContact CB-CB 4.44Å; L580-L588 PolarHBondContact N-O 3.34Å; L580-L588 PolarHBondContact O-N 2.91Å; L580-L590 HydrophobicContact CB-CD1 3.61Å
581	A	95.4	Very high	91.5	Very high	40 Å²	40	54.6 Å²	54.6	33%	0.331	31%	0.305	S	S	.	.			trans	-81.1	116.2	174.9	0	0	0	0	0	109.1	G565 Q566	G565-A581 WeakPolarHBondContact CA-O 3.42Å; Q566-A581 PolarHBondContact N-O 2.96Å
582	P	95.2	Very high	91.4	Very high	11 Å²	11	56.4 Å²	56.4	7%	0.071	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-72.4	166.9	172.6	33.3	-35.9	0	0	0	111.2	L562 L564 L580 Q584 D586 L588	L562-P582 HydrophobicContact CD1-CB 4.31Å; L562-P582 HydrophobicContact CD1-CG 4.02Å; L562-P582 WeakPolarHBondContact O-CB 3.41Å; L564-P582 CarbonylContact O-C 3.55Å; L564-P582 WeakPolarHBondContact O-CA 3.45Å; L580-P582 WeakPolarHBondContact O-CD 3.38Å; P582-Q584 WeakPolarHBondContact CG-O 3.44Å; P582-Q584 PolarHBondContact O-N 3.22Å; P582-D586 WeakPolarHBondContact CD-O 3.42Å; P582-D586 VanDerWaalsContact CG-O 3.24Å; P582-D586 WeakPolarHBondContact CG-O 3.5Å; P582-L588 HydrophobicContact CB-CG 4.43Å; P582-L588 HydrophobicContact CG-CG 4.45Å
583	L	93.4	Very high	91.2	Very high	56 Å²	56	64.3 Å²	64.3	29%	0.293	34%	0.341	S	S	.	.	S	Bend	trans	-64.9	-23.1	171.5	-66.9	-176.8	0	0	0	111.8	L521 L528 R561 L564 Q566	L521-L583 HydrophobicContact CD1-CD1 4.2Å; L521-L583 HydrophobicContact CD2-CD1 3.97Å; L528-L583 HydrophobicContact CD2-CD1 4.4Å; L528-L583 HydrophobicContact CD2-CD2 4.25Å; R561-L583 HydrophobicContact CB-CB 4.01Å; R561-L583 HydrophobicContact CG-CB 4.23Å; R561-L583 PolarHBondContact O-N 3.18Å; L564-L583 HydrophobicContact CB-CD1 3.78Å; L564-L583 HydrophobicContact CB-CG 3.99Å; L564-L583 HydrophobicContact CD1-CD1 4.08Å; L564-L583 PolarHBondContact O-N 2.85Å; Q566-L583 HydrophobicContact CG-CD2 3.75Å
584	Q	91.6	Very high	90.9	Very high	86 Å²	86	71.2 Å²	71.2	40%	0.402	38%	0.376	S	S	.	.	S	Bend	trans	-150.6	135.3	175.3	-171.1	169.7	-16.5	0	0	111.6	A558 R561 L562 P582	A558-Q584 VanDerWaalsContact CB-NE2 3.3Å; R561-Q584 HydrophobicContact CB-CB 3.54Å; R561-Q584 PolarHBondContact O-N 2.94Å; L562-Q584 WeakPolarHBondContact CA-O 3.25Å; L562-Q584 WeakPolarHBondContact CD1-O 3.35Å; P582-Q584 WeakPolarHBondContact CG-O 3.44Å; P582-Q584 PolarHBondContact O-N 3.22Å
585	G	87.6	Confident	90.5	Very high	59 Å²	59	80.6 Å²	80.6	61%	0.608	42%	0.417	S	S	*	.	S	Bend	trans	99.8	-168.9	176.3	0	0	0	0	0	114.5
586	D	89.3	Confident	90.5	Very high	111 Å²	111	80.6 Å²	80.6	59%	0.594	41%	0.414	S	S	*	.	S	Bend	trans	-72.5	155.9	-178.9	-65.5	-37.6	0	0	0	112.3	P582 L588	P582-D586 WeakPolarHBondContact CD-O 3.42Å; P582-D586 VanDerWaalsContact CG-O 3.24Å; P582-D586 WeakPolarHBondContact CG-O 3.5Å; D586-L588 PolarHBondContact O-N 3.12Å
587	K	93.7	Very high	91.1	Very high	137 Å²	137	76.7 Å²	76.7	60%	0.596	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-56.1	133	177.7	-66.8	-177.8	179.9	-179.8	0	111	L580	L580-K587 WeakPolarHBondContact O-CA 3.4Å
588	L	94.4	Very high	91.8	Very high	0 Å²	0	72.1 Å²	72.1	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	131.1	173.2	-55.7	-179.5	0	0	0	109.3	F531 L562 R579 L580 P582 D586 L590 V599 I623	F531-L588 HydrophobicContact CD2-CD1 3.85Å; F531-L588 HydrophobicContact CE2-CD1 3.76Å; L562-L588 HydrophobicContact CD1-CD2 3.91Å; L562-L588 HydrophobicContact CG-CD2 4.38Å; R579-L588 VanDerWaalsContact CA-O 3.29Å; R579-L588 WeakPolarHBondContact CA-O 3.05Å; L580-L588 HydrophobicContact CB-CB 4.44Å; L580-L588 PolarHBondContact N-O 3.34Å; L580-L588 PolarHBondContact O-N 2.91Å; P582-L588 HydrophobicContact CB-CG 4.43Å; P582-L588 HydrophobicContact CG-CG 4.45Å; D586-L588 PolarHBondContact O-N 3.12Å; L588-L590 HydrophobicContact CB-CD1 4.24Å; L588-V599 HydrophobicContact CB-CG2 4.02Å; L588-V599 HydrophobicContact CD1-CG2 4.08Å; L588-V599 HydrophobicContact CG-CG2 4.47Å; L588-I623 HydrophobicContact CD2-CG2 3.82Å
589	E	94.4	Very high	91.9	Very high	67 Å²	67	71 Å²	71	31%	0.313	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	121	172.9	-63.8	-163.9	148.8	0	0	109.7	R579 V599 N600 L626	R579-E589 IonicContact CZ-OE1 3.82Å; R579-E589 IonicContact NE-OE1 3.5Å; R579-E589 IonicContact NH2-OE1 3.83Å; R579-E589 PolarHBondContact NH2-OE1 3.43Å; E589-V599 WeakPolarHBondContact O-CA 3.35Å; E589-N600 PolarHBondContact N-OD1 3.33Å; E589-N600 PolarHBondContact O-N 3.47Å; E589-L626 HydrophobicContact CB-CD1 3.86Å; E589-L626 HydrophobicContact CG-CD1 3.69Å; E589-L626 VanDerWaalsContact OE2-CD1 3.27Å; E589-L626 WeakPolarHBondContact OE2-CD1 3.19Å
590	L	94.2	Very high	91.9	Very high	8 Å²	8	64.1 Å²	64.1	4%	0.042	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	146.3	178.6	-64.3	102.5	0	0	0	111.6	F531 L569 V574 T578 L580 L588 V597 Y598 V599	F531-L590 HydrophobicContact CE1-CD2 3.92Å; F531-L590 HydrophobicContact CE2-CD2 4.49Å; F531-L590 HydrophobicContact CZ-CD2 3.52Å; L569-L590 HydrophobicContact CD2-CD1 4.09Å; L569-L590 HydrophobicContact CD2-CD2 3.92Å; V574-L590 HydrophobicContact CG1-CB 3.75Å; V574-L590 HydrophobicContact CG2-CD2 4.28Å; T578-L590 HydrophobicContact CG2-CB 4.36Å; T578-L590 HydrophobicContact CG2-CD1 4.41Å; T578-L590 PolarHBondContact N-O 2.82Å; T578-L590 PolarHBondContact O-N 3.25Å; L580-L590 HydrophobicContact CB-CD1 3.61Å; L588-L590 HydrophobicContact CB-CD1 4.24Å; L590-V597 HydrophobicContact CD2-CG1 4.39Å; L590-Y598 VanDerWaalsContact CA-O 3.23Å; L590-Y598 WeakPolarHBondContact CA-O 3.42Å; L590-V599 HydrophobicContact CD2-CB 4.34Å; L590-V599 HydrophobicContact CD2-CG2 4.48Å; L590-V599 HydrophobicContact CG-CB 4.37Å; L590-V599 HydrophobicContact CG-CG2 4.3Å
591	G	91.8	Very high	91.8	Very high	16 Å²	16	71.7 Å²	71.7	17%	0.165	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	161.5	173.5	0	0	0	0	0	111.9	Y598	G591-Y598 PolarHBondContact N-O 2.64Å; G591-Y598 PolarHBondContact O-N 3.02Å
592	V	90.6	Very high	91.7	Very high	56 Å²	56	70.6 Å²	70.6	34%	0.339	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	132.7	177.1	-176.5	0	0	0	0	109.2	V574 T596 V597	V574-V592 HydrophobicContact CB-CG2 3.93Å; V574-V592 HydrophobicContact CG1-CG2 3.81Å; V592-T596 WeakPolarHBondContact CA-O 3.45Å; V592-V597 HydrophobicContact CG2-CG2 4.24Å
593	R	88.6	Confident	91.7	Very high	179 Å²	179	73 Å²	73	68%	0.675	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.1	127.4	170.4	-59.6	179	178.8	-173	-2.2	108.4	F595 T596 Y598	R593-F595 VanDerWaalsContact C-N 3.3Å; R593-F595 PolarHBondContact O-N 3.43Å; R593-T596 PolarHBondContact N-O 3.41Å; R593-T596 WeakPolarHBondContact O-CB 3.33Å; R593-T596 PolarHBondContact O-N 3.38Å; R593-Y598 HydrophobicContact CB-CD2 4.16Å; R593-Y598 HydrophobicContact CB-CE2 3.76Å; R593-Y598 HydrophobicContact CG-CD2 4.32Å; R593-Y598 HydrophobicContact CG-CE2 4.32Å
594	N	85.5	Confident	91.9	Very high	153 Å²	153	70.8 Å²	70.8	82%	0.818	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	50.6	-178.7	-57.9	-17.4	0	0	0	112.4	T596	N594-T596 PolarHBondContact O-N 2.56Å; N594-T596 PolarHBondContact O-OG1 2.77Å
595	F	83.5	Confident	92	Very high	209 Å²	209	69.5 Å²	69.5	92%	0.917	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	4.3	-177	-52.7	-80.4	0	0	0	116.1	R593	R593-F595 VanDerWaalsContact C-N 3.3Å; R593-F595 PolarHBondContact O-N 3.43Å
596	T	90	Very high	92.3	Very high	50 Å²	50	69.4 Å²	69.4	31%	0.307	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	128.5	176.6	-54.4	0	0	0	0	109.7	V592 R593 N594 Y598 P603	V592-T596 WeakPolarHBondContact CA-O 3.45Å; R593-T596 PolarHBondContact N-O 3.41Å; R593-T596 WeakPolarHBondContact O-CB 3.33Å; R593-T596 PolarHBondContact O-N 3.38Å; N594-T596 PolarHBondContact O-N 2.56Å; N594-T596 PolarHBondContact O-OG1 2.77Å; T596-Y598 HydrophobicContact CG2-CD2 4.43Å; T596-Y598 HydrophobicContact CG2-CE2 3.86Å; T596-Y598 VanDerWaalsContact O-CD2 3.3Å; T596-Y598 WeakPolarHBondContact O-CD2 3.06Å; T596-P603 HydrophobicContact CG2-CB 4.13Å
597	V	93.9	Very high	92.6	Very high	11 Å²	11	65.7 Å²	65.7	7%	0.067	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	137.6	172.7	177.1	0	0	0	0	109.1	V574 L590 V592 V604	V574-V597 HydrophobicContact CB-CG2 4.5Å; V574-V597 HydrophobicContact CG1-CG1 4.31Å; V574-V597 HydrophobicContact CG2-CG1 4.09Å; V574-V597 HydrophobicContact CG2-CG2 4.39Å; L590-V597 HydrophobicContact CD2-CG1 4.39Å; V592-V597 HydrophobicContact CG2-CG2 4.24Å; V597-V604 HydrophobicContact CB-CB 4.11Å; V597-V604 HydrophobicContact CB-CG2 3.97Å; V597-V604 HydrophobicContact CG1-CG2 3.84Å; V597-V604 WeakPolarHBondContact O-CB 3.23Å; V597-V604 PolarHBondContact O-N 3.1Å
598	Y	94.1	Very high	92.7	Very high	70 Å²	70	59.5 Å²	59.5	28%	0.275	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	142.1	172.9	-70.5	-99.6	0	0	0	109.8	L590 G591 R593 T596 V602 P603	L590-Y598 VanDerWaalsContact CA-O 3.23Å; L590-Y598 WeakPolarHBondContact CA-O 3.42Å; G591-Y598 PolarHBondContact N-O 2.64Å; G591-Y598 PolarHBondContact O-N 3.02Å; R593-Y598 HydrophobicContact CB-CD2 4.16Å; R593-Y598 HydrophobicContact CB-CE2 3.76Å; R593-Y598 HydrophobicContact CG-CD2 4.32Å; R593-Y598 HydrophobicContact CG-CE2 4.32Å; T596-Y598 HydrophobicContact CG2-CD2 4.43Å; T596-Y598 HydrophobicContact CG2-CE2 3.86Å; T596-Y598 VanDerWaalsContact O-CD2 3.3Å; T596-Y598 WeakPolarHBondContact O-CD2 3.06Å; Y598-V602 CarbonylContact C-O 3.36Å; Y598-V602 VanDerWaalsContact CA-O 3.25Å; Y598-V602 WeakPolarHBondContact CA-O 3.29Å; Y598-P603 HydrophobicContact CD1-CB 3.99Å; Y598-P603 HydrophobicContact CE1-CB 3.6Å; Y598-P603 HydrophobicContact CE1-CG 4.23Å
599	V	95	Very high	92.8	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	117.7	173	56.7	0	0	0	0	109.1	F531 L588 E589 L590 K601 V602 V604 V619 I623	F531-V599 HydrophobicContact CD1-CB 4.22Å; F531-V599 HydrophobicContact CD1-CG1 3.8Å; F531-V599 HydrophobicContact CD1-CG2 4.43Å; F531-V599 HydrophobicContact CD2-CG2 4.24Å; F531-V599 HydrophobicContact CE1-CB 4.17Å; F531-V599 HydrophobicContact CE1-CG1 4.23Å; F531-V599 HydrophobicContact CE1-CG2 4.37Å; F531-V599 HydrophobicContact CE2-CG2 4.18Å; F531-V599 HydrophobicContact CG-CG1 4.16Å; F531-V599 HydrophobicContact CG-CG2 4.4Å; F531-V599 HydrophobicContact CZ-CG2 4.3Å; L588-V599 HydrophobicContact CB-CG2 4.02Å; L588-V599 HydrophobicContact CD1-CG2 4.08Å; L588-V599 HydrophobicContact CG-CG2 4.47Å; E589-V599 WeakPolarHBondContact O-CA 3.35Å; L590-V599 HydrophobicContact CD2-CB 4.34Å; L590-V599 HydrophobicContact CD2-CG2 4.48Å; L590-V599 HydrophobicContact CG-CB 4.37Å; L590-V599 HydrophobicContact CG-CG2 4.3Å; V599-K601 PolarHBondContact O-N 3.28Å; V599-K601 VanDerWaalsContact O-N 3.1Å; V599-V602 HydrophobicContact CG1-CB 4.32Å; V599-V602 PolarHBondContact N-O 3.3Å; V599-V602 WeakPolarHBondContact O-CA 3.39Å; V599-V602 VanDerWaalsContact O-CB 3.31Å; V599-V602 WeakPolarHBondContact O-CB 3.37Å; V599-V602 PolarHBondContact O-N 2.89Å; V599-V604 HydrophobicContact CG1-CG2 4.47Å; V599-V619 HydrophobicContact CG1-CG1 4.17Å; V599-I623 HydrophobicContact CB-CD1 4.35Å; V599-I623 HydrophobicContact CG1-CD1 3.63Å; V599-I623 HydrophobicContact CG1-CG1 4.02Å; V599-I623 HydrophobicContact CG2-CD1 3.76Å
600	N	93.6	Very high	92.8	Very high	13 Å²	13	58.8 Å²	58.8	7%	0.07	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	45.9	41.2	-171.5	-68.2	1	0	0	0	113.4	E589 V602 I623 R624 L626	E589-N600 PolarHBondContact N-OD1 3.33Å; E589-N600 PolarHBondContact O-N 3.47Å; N600-V602 PolarHBondContact O-N 3.26Å; N600-I623 HydrophobicContact CB-CG2 4.16Å; N600-R624 PolarHBondContact ND2-O 2.95Å; N600-L626 HydrophobicContact CB-CD1 4.48Å; N600-L626 HydrophobicContact CB-CD2 4.16Å; N600-L626 HydrophobicContact CB-CG 4.07Å
601	K	91	Very high	92.9	Very high	174 Å²	174	58.4 Å²	58.4	76%	0.757	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	2.5	-176	-46.1	171.6	-177.6	175.1	0	115.8	V599	V599-K601 PolarHBondContact O-N 3.28Å; V599-K601 VanDerWaalsContact O-N 3.1Å
602	V	94.4	Very high	93	Very high	17 Å²	17	61.3 Å²	61.3	10%	0.103	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	122.8	170.8	-179.8	0	0	0	0	109	Y598 V599 N600 V619 A621	Y598-V602 CarbonylContact C-O 3.36Å; Y598-V602 VanDerWaalsContact CA-O 3.25Å; Y598-V602 WeakPolarHBondContact CA-O 3.29Å; V599-V602 HydrophobicContact CG1-CB 4.32Å; V599-V602 PolarHBondContact N-O 3.3Å; V599-V602 WeakPolarHBondContact O-CA 3.39Å; V599-V602 VanDerWaalsContact O-CB 3.31Å; V599-V602 WeakPolarHBondContact O-CB 3.37Å; V599-V602 PolarHBondContact O-N 2.89Å; N600-V602 PolarHBondContact O-N 3.26Å; V602-V619 HydrophobicContact CG1-CB 4.02Å; V602-V619 HydrophobicContact CG1-CG1 4.26Å; V602-A621 HydrophobicContact CG1-CB 3.98Å; V602-A621 HydrophobicContact CG2-CB 4.47Å
603	P	95.3	Very high	93.2	Very high	61 Å²	61	58.9 Å²	58.9	40%	0.396	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	138.4	174.9	27.8	-32.4	0	0	0	110.9	T596 Y598	T596-P603 HydrophobicContact CG2-CB 4.13Å; Y598-P603 HydrophobicContact CD1-CB 3.99Å; Y598-P603 HydrophobicContact CE1-CB 3.6Å; Y598-P603 HydrophobicContact CE1-CG 4.23Å
604	V	96.4	Very high	93.5	Very high	10 Å²	10	50.3 Å²	50.3	6%	0.061	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	121.1	167	177.7	0	0	0	0	107.8	F531 V597 V599 D606 A607 H617 A618 V619	F531-V604 HydrophobicContact CD1-CG2 4.39Å; F531-V604 HydrophobicContact CE1-CG2 4.49Å; V597-V604 HydrophobicContact CB-CB 4.11Å; V597-V604 HydrophobicContact CB-CG2 3.97Å; V597-V604 HydrophobicContact CG1-CG2 3.84Å; V597-V604 WeakPolarHBondContact O-CB 3.23Å; V597-V604 PolarHBondContact O-N 3.1Å; V599-V604 HydrophobicContact CG1-CG2 4.47Å; V604-D606 VanDerWaalsContact CG1-O 3.26Å; V604-D606 WeakPolarHBondContact CG1-O 3.43Å; V604-A607 HydrophobicContact CG1-CB 3.83Å; V604-H617 HydrophobicContact CG1-CB 3.82Å; V604-H617 HydrophobicContact CG2-CB 4.35Å; V604-A618 CarbonylContact C-O 3.5Å; V604-A618 WeakPolarHBondContact CA-O 3.5Å; V604-A618 WeakPolarHBondContact CG1-O 3.3Å; V604-V619 HydrophobicContact CG2-CG1 4.15Å
605	A	94.9	Very high	94.1	Very high	59 Å²	59	43 Å²	43	49%	0.488	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	-39.2	-178.6	0	0	0	0	0	111.8	A618	A605-A618 PolarHBondContact N-O 3.1Å
606	D	94	Very high	94.7	Very high	57 Å²	57	33.1 Å²	33.1	31%	0.305	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	129.2	-179.7	-162	-0.2	0	0	0	108.1	R505 V604 H617 A618	R505-D606 IonicContact CZ-OD2 3.61Å; R505-D606 IonicContact NH1-OD2 3.79Å; R505-D606 PolarHBondContact NH1-OD2 2.89Å; R505-D606 IonicContact NH2-OD2 2.71Å; R505-D606 PolarHBondContact NH2-OD2 2.84Å; V604-D606 VanDerWaalsContact CG1-O 3.26Å; V604-D606 WeakPolarHBondContact CG1-O 3.43Å; D606-H617 CarbonylContact O-C 3.48Å; D606-A618 HydrophobicContact CB-CB 3.82Å; D606-A618 PolarHBondContact O-N 2.89Å
607	A	94.8	Very high	95.1	Very high	32 Å²	32	30.8 Å²	30.8	26%	0.264	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	155.2	-169.1	0	0	0	0	0	111.2	V604	V604-A607 HydrophobicContact CG1-CB 3.83Å
608	D	95.7	Very high	95.3	Very high	8 Å²	8	30.3 Å²	30.3	4%	0.043	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	65.5	38.4	174.4	-48.2	-35.3	0	0	0	115	N467 K487 V570 S571 M610 H617	N467-D608 HydrophobicContact CB-CB 3.62Å; K487-D608 IonicContact NZ-OD2 3.12Å; K487-D608 PolarHBondContact NZ-OD2 2.78Å; V570-D608 VanDerWaalsContact CA-OD1 3.31Å; V570-D608 WeakPolarHBondContact CA-OD1 3.21Å; V570-D608 WeakPolarHBondContact CB-OD1 2.99Å; S571-D608 WeakPolarHBondContact CB-OD2 3.1Å; S571-D608 PolarHBondContact N-OD1 2.72Å; S571-D608 PolarHBondContact OG-OD1 2.95Å; S571-D608 PolarHBondContact OG-OD2 3.48Å; D608-M610 HydrophobicContact CB-SD 4.3Å; D608-M610 WeakPolarHBondContact O-CG 3.5Å; D608-M610 PolarHBondContact O-N 3.17Å; D608-H617 PolarHBondContact N-ND1 3.18Å; D608-H617 IonicContact OD1-CE1 3.93Å; D608-H617 PolarHBondContact OD1-CE1 2.82Å; D608-H617 VanDerWaalsContact OD1-CE1 3.32Å
609	L	96.1	Very high	95.4	Very high	43 Å²	43	27 Å²	27	23%	0.225	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	95.1	167.9	-59.5	175	0	0	0	108.3	V499 F506 V616	V499-L609 HydrophobicContact CG1-CB 4.11Å; F506-L609 HydrophobicContact CE2-CD1 4.15Å; F506-L609 HydrophobicContact CZ-CD1 4.12Å; L609-V616 HydrophobicContact CB-CB 3.94Å; L609-V616 WeakPolarHBondContact CB-O 3.5Å; L609-V616 HydrophobicContact CD1-CB 4.43Å; L609-V616 HydrophobicContact CD1-CG1 4.24Å; L609-V616 PolarHBondContact N-O 2.61Å; L609-V616 PolarHBondContact O-N 2.97Å
610	M	95.9	Very high	95.4	Very high	9 Å²	9	29.7 Å²	29.7	4%	0.044	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	134.1	-168.9	-59.6	-52.6	-70	0	0	112.7	F457 E466 N467 A490 P492 V570 D608 V615	F457-M610 HydrophobicContact CE2-CE 3.94Å; F457-M610 HydrophobicContact CZ-CE 4.39Å; E466-M610 HydrophobicContact CB-CE 4.18Å; E466-M610 WeakPolarHBondContact OE2-CE 3.23Å; N467-M610 HydrophobicContact CB-CG 3.9Å; N467-M610 HydrophobicContact CB-SD 3.95Å; A490-M610 VanDerWaalsContact O-CG 3.27Å; A490-M610 WeakPolarHBondContact O-CG 3.45Å; P492-M610 WeakPolarHBondContact CA-O 3.43Å; P492-M610 HydrophobicContact CB-CB 4.17Å; V570-M610 HydrophobicContact CG1-CE 4.03Å; V570-M610 HydrophobicContact CG1-SD 3.99Å; D608-M610 HydrophobicContact CB-SD 4.3Å; D608-M610 WeakPolarHBondContact O-CG 3.5Å; D608-M610 PolarHBondContact O-N 3.17Å; M610-V615 HydrophobicContact SD-CB 4.23Å; M610-V615 HydrophobicContact SD-CG2 3.72Å
611	A	95.7	Very high	95.5	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	158.2	173.2	0	0	0	0	0	111.2	R455 G494 L496 V499 N613 G614	R455-A611 PolarHBondContact NH1-O 3.06Å; R455-A611 PolarHBondContact NH2-O 2.9Å; G494-A611 CarbonylContact O-C 3.58Å; G494-A611 VanDerWaalsContact O-CA 3.3Å; G494-A611 WeakPolarHBondContact O-CA 3.4Å; G494-A611 WeakPolarHBondContact O-CB 3.21Å; L496-A611 HydrophobicContact CD2-CB 3.82Å; L496-A611 HydrophobicContact CG-CB 4.04Å; V499-A611 HydrophobicContact CG2-CB 3.96Å; A611-N613 PolarHBondContact O-N 2.75Å; A611-G614 CarbonylContact C-O 3.51Å; A611-G614 WeakPolarHBondContact CA-O 3.4Å; A611-G614 WeakPolarHBondContact CB-O 3.31Å; A611-G614 PolarHBondContact N-O 3.38Å; A611-G614 PolarHBondContact O-N 2.81Å
612	T	94.5	Very high	95.6	Very high	76 Å²	76	23.7 Å²	23.7	47%	0.466	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-29.8	-179.4	54.9	0	0	0	0	112.1	R455 P492 G494	R455-T612 PolarHBondContact NH1-O 2.93Å; P492-T612 HydrophobicContact CB-CG2 4.21Å; P492-T612 HydrophobicContact CG-CG2 4.45Å; G494-T612 PolarHBondContact O-N 2.83Å; G494-T612 PolarHBondContact O-OG1 2.81Å
613	N	94.3	Very high	95.5	Very high	5 Å²	5	23.1 Å²	23.1	3%	0.027	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115	15.3	177.7	66.6	-27.3	0	0	0	113.9	T495 L496 L522 Q524 G526 L528 A611	T495-N613 VanDerWaalsContact CA-OD1 3.28Å; T495-N613 WeakPolarHBondContact CA-OD1 3.36Å; L496-N613 WeakPolarHBondContact CG-OD1 3.2Å; L496-N613 PolarHBondContact N-OD1 3.25Å; L522-N613 PolarHBondContact O-ND2 2.92Å; Q524-N613 WeakPolarHBondContact O-CB 3.45Å; Q524-N613 PolarHBondContact O-ND2 3.08Å; G526-N613 CarbonylContact C-O 3.53Å; G526-N613 CarbonylContact O-C 3.55Å; G526-N613 VanDerWaalsContact O-CA 3.22Å; G526-N613 WeakPolarHBondContact O-CA 3.36Å; L528-N613 PolarHBondContact N-O 3.03Å; A611-N613 PolarHBondContact O-N 2.75Å
614	G	95.2	Very high	95.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.1	-166.7	-179.6	0	0	0	0	0	115.7	L528 A611	L528-G614 CarbonylContact O-C 3.35Å; L528-G614 WeakPolarHBondContact O-CA 3.37Å; A611-G614 CarbonylContact C-O 3.51Å; A611-G614 WeakPolarHBondContact CA-O 3.4Å; A611-G614 WeakPolarHBondContact CB-O 3.31Å; A611-G614 PolarHBondContact N-O 3.38Å; A611-G614 PolarHBondContact O-N 2.81Å
615	V	96.9	Very high	94.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	138.9	170.3	62	0	0	0	0	109.1	L528 T529 F530 L568 V570 M610	L528-V615 PolarHBondContact O-N 2.92Å; T529-V615 CarbonylContact C-O 3.57Å; T529-V615 WeakPolarHBondContact CA-O 3.18Å; T529-V615 HydrophobicContact CG2-CG1 3.98Å; F530-V615 PolarHBondContact N-O 2.9Å; L568-V615 HydrophobicContact CD2-CB 4.05Å; L568-V615 HydrophobicContact CD2-CG1 3.99Å; V570-V615 HydrophobicContact CG1-CG2 4.48Å; M610-V615 HydrophobicContact SD-CB 4.23Å; M610-V615 HydrophobicContact SD-CG2 3.72Å
616	V	97.6	Very high	94	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	134.4	174.4	-179.7	0	0	0	0	109.7	L496 V499 L500 F506 F530 A532 L609	L496-V616 HydrophobicContact CD2-CG2 3.43Å; L496-V616 VanDerWaalsContact CD2-CG2 3.43Å; V499-V616 HydrophobicContact CG1-CB 4.49Å; V499-V616 HydrophobicContact CG1-CG2 4.21Å; L500-V616 HydrophobicContact CD2-CG1 4.04Å; L500-V616 HydrophobicContact CD2-CG2 4.4Å; F506-V616 HydrophobicContact CZ-CG1 4.43Å; F530-V616 HydrophobicContact CB-CG2 4.4Å; F530-V616 CarbonylContact O-C 3.58Å; F530-V616 WeakPolarHBondContact O-CA 3.06Å; A532-V616 HydrophobicContact CB-CG1 3.47Å; A532-V616 VanDerWaalsContact CB-CG1 3.47Å; L609-V616 HydrophobicContact CB-CB 3.94Å; L609-V616 WeakPolarHBondContact CB-O 3.5Å; L609-V616 HydrophobicContact CD1-CB 4.43Å; L609-V616 HydrophobicContact CD1-CG1 4.24Å; L609-V616 PolarHBondContact N-O 2.61Å; L609-V616 PolarHBondContact O-N 2.97Å
617	H	97.8	Very high	93	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.009	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	113.4	171	-63.7	-60.8	0	0	0	108.3	F530 F531 A532 L569 V604 D606 D608	F530-H617 PolarHBondContact O-N 3.49Å; F531-H617 CarbonylContact C-O 3.55Å; F531-H617 VanDerWaalsContact CA-O 3.26Å; F531-H617 WeakPolarHBondContact CA-O 3.47Å; F531-H617 HydrophobicContact CD1-CB 3.68Å; F531-H617 HydrophobicContact CE1-CB 3.97Å; F531-H617 AromaticContact CE1-CD2 3.56Å; A532-H617 PolarHBondContact N-O 3.29Å; L569-H617 PolarHBondContact O-NE2 2.86Å; V604-H617 HydrophobicContact CG1-CB 3.82Å; V604-H617 HydrophobicContact CG2-CB 4.35Å; D606-H617 CarbonylContact O-C 3.48Å; D608-H617 PolarHBondContact N-ND1 3.18Å; D608-H617 IonicContact OD1-CE1 3.93Å; D608-H617 PolarHBondContact OD1-CE1 2.82Å; D608-H617 VanDerWaalsContact OD1-CE1 3.32Å
618	A	97.7	Very high	91.6	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	129.9	179.8	0	0	0	0	0	110.6	F506 A532 T534 V604 A605 D606	F506-A618 HydrophobicContact CE1-CB 3.98Å; F506-A618 HydrophobicContact CZ-CB 3.79Å; A532-A618 WeakPolarHBondContact O-CA 3.44Å; T534-A618 HydrophobicContact CG2-CB 4.06Å; V604-A618 CarbonylContact C-O 3.5Å; V604-A618 WeakPolarHBondContact CA-O 3.5Å; V604-A618 WeakPolarHBondContact CG1-O 3.3Å; A605-A618 PolarHBondContact N-O 3.1Å; D606-A618 HydrophobicContact CB-CB 3.82Å; D606-A618 PolarHBondContact O-N 2.89Å
619	V	97.3	Very high	89.7	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	138.2	175.6	-66.2	0	0	0	0	110.6	F531 A532 P533 T534 V599 V602 V604 A621	F531-V619 HydrophobicContact CB-CG1 4.27Å; F531-V619 HydrophobicContact CB-CG2 4.46Å; F531-V619 HydrophobicContact CD1-CG1 4.47Å; A532-V619 PolarHBondContact O-N 2.93Å; P533-V619 WeakPolarHBondContact CA-O 3.32Å; P533-V619 HydrophobicContact CB-CG2 4.44Å; P533-V619 HydrophobicContact CG-CG2 4.35Å; T534-V619 PolarHBondContact N-O 3.18Å; V599-V619 HydrophobicContact CG1-CG1 4.17Å; V602-V619 HydrophobicContact CG1-CB 4.02Å; V602-V619 HydrophobicContact CG1-CG1 4.26Å; V604-V619 HydrophobicContact CG2-CG1 4.15Å; V619-A621 VanDerWaalsContact C-N 3.29Å; V619-A621 WeakPolarHBondContact CG2-O 3.07Å; V619-A621 PolarHBondContact O-N 3.08Å
620	N	95.3	Very high	87.1	Confident	58 Å²	58	45.7 Å²	45.7	31%	0.31	27%	0.266	S	S	.	.	S	Bend	trans	-90.6	10.7	179.5	-71.1	-6.5	0	0	0	113.2	T534 E536 A537	T534-N620 WeakPolarHBondContact CG2-OD1 3.46Å; T534-N620 PolarHBondContact OG1-OD1 3.38Å; E536-N620 PolarHBondContact OE2-ND2 3.45Å; E536-N620 VanDerWaalsContact OE2-ND2 3.07Å; A537-N620 VanDerWaalsContact CA-O 3.3Å; A537-N620 WeakPolarHBondContact CA-O 3.45Å; A537-N620 VanDerWaalsContact CB-C 3.43Å
621	A	94.1	Very high	84.4	Confident	39 Å²	39	52.7 Å²	52.7	32%	0.322	30%	0.303	S	S	.	.	S	Bend	trans	-149.2	154.2	172.2	0	0	0	0	0	111	V602 V619	V602-A621 HydrophobicContact CG1-CB 3.98Å; V602-A621 HydrophobicContact CG2-CB 4.47Å; V619-A621 VanDerWaalsContact C-N 3.29Å; V619-A621 WeakPolarHBondContact CG2-O 3.07Å; V619-A621 PolarHBondContact O-N 3.08Å
622	F	93	Very high	81.6	Confident	21 Å²	21	64.5 Å²	64.5	9%	0.092	35%	0.348	C	S	.	.			trans	-68.4	133.7	173	-82.6	-98.5	0	0	0	111.3	P533 A537 F538 L541 I559 H563	P533-F622 HydrophobicContact CB-CD2 4.44Å; P533-F622 HydrophobicContact CB-CE1 4.49Å; P533-F622 HydrophobicContact CB-CE2 4.15Å; P533-F622 HydrophobicContact CB-CZ 4.19Å; P533-F622 HydrophobicContact CG-CD1 4.27Å; P533-F622 HydrophobicContact CG-CE1 4.11Å; P533-F622 HydrophobicContact CG-CZ 4.29Å; A537-F622 HydrophobicContact CB-CD2 4.29Å; A537-F622 HydrophobicContact CB-CE2 4.38Å; F538-F622 HydrophobicContact CD1-CE2 4.19Å; F538-F622 AromaticContact CD1-CZ 3.98Å; F538-F622 HydrophobicContact CD1-CZ 3.98Å; F538-F622 HydrophobicContact CD2-CE2 4.21Å; F538-F622 HydrophobicContact CD2-CZ 4.26Å; F538-F622 HydrophobicContact CE1-CE2 4.37Å; F538-F622 AromaticContact CE1-CZ 3.71Å; F538-F622 HydrophobicContact CE1-CZ 3.71Å; F538-F622 HydrophobicContact CE2-CE2 4.36Å; F538-F622 AromaticContact CE2-CZ 3.98Å; F538-F622 HydrophobicContact CE2-CZ 3.98Å; F538-F622 HydrophobicContact CG-CE2 4.12Å; F538-F622 HydrophobicContact CG-CZ 4.25Å; F538-F622 HydrophobicContact CZ-CE2 4.44Å; F538-F622 AromaticContact CZ-CZ 3.7Å; F538-F622 HydrophobicContact CZ-CZ 3.7Å; L541-F622 HydrophobicContact CD1-CD2 3.6Å; L541-F622 HydrophobicContact CD1-CE2 3.37Å; L541-F622 HydrophobicContact CD1-CG 4.33Å; L541-F622 HydrophobicContact CD1-CZ 3.92Å; L541-F622 HydrophobicContact CD2-CD2 4.04Å; L541-F622 HydrophobicContact CG-CD2 3.81Å; L541-F622 HydrophobicContact CG-CE2 3.96Å; I559-F622 HydrophobicContact CG2-CD1 4Å; I559-F622 HydrophobicContact CG2-CE1 4.23Å; H563-F622 AromaticContact CE1-CD1 3.83Å; H563-F622 AromaticContact NE2-CD1 3.89Å
623	I	92.7	Very high	79	Confident	5 Å²	5	69 Å²	69	3%	0.026	36%	0.364	C	S	.	.			trans	-70.2	130.1	173.5	-61.9	173.4	0	0	0	108.9	F531 H563 L588 V599 N600	F531-I623 HydrophobicContact CB-CD1 3.37Å; F531-I623 HydrophobicContact CD2-CD1 3.93Å; F531-I623 HydrophobicContact CG-CD1 3.7Å; H563-I623 PolarHBondContact NE2-N 2.92Å; L588-I623 HydrophobicContact CD2-CG2 3.82Å; V599-I623 HydrophobicContact CB-CD1 4.35Å; V599-I623 HydrophobicContact CG1-CD1 3.63Å; V599-I623 HydrophobicContact CG1-CG1 4.02Å; V599-I623 HydrophobicContact CG2-CD1 3.76Å; N600-I623 HydrophobicContact CB-CG2 4.16Å
624	R	88.4	Confident	76.5	Confident	153 Å²	153	78.1 Å²	78.1	58%	0.577	41%	0.406	S	S	*	.			trans	-111.8	147.6	173.5	-61.5	-177.1	179.7	-159.3	-6.8	109.5	E545 N600 L626	E545-R624 IonicContact OE2-NH2 2.73Å; N600-R624 PolarHBondContact ND2-O 2.95Å; R624-L626 PolarHBondContact O-N 3.27Å
625	P	84.4	Confident	73.6	Confident	78 Å²	78	82.6 Å²	82.6	51%	0.506	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-55.6	139.2	168	-22.7	33.7	0	0	0	109.9	L562	L562-P625 HydrophobicContact CD2-CG 4.06Å
626	L	82.1	Confident	70.5	Confident	50 Å²	50	90.7 Å²	90.7	26%	0.262	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-69.9	140.5	172	-70	169.9	0	0	0	108.5	E589 N600 R624	E589-L626 HydrophobicContact CB-CD1 3.86Å; E589-L626 HydrophobicContact CG-CD1 3.69Å; E589-L626 VanDerWaalsContact OE2-CD1 3.27Å; E589-L626 WeakPolarHBondContact OE2-CD1 3.19Å; N600-L626 HydrophobicContact CB-CD1 4.48Å; N600-L626 HydrophobicContact CB-CD2 4.16Å; N600-L626 HydrophobicContact CB-CG 4.07Å; R624-L626 PolarHBondContact O-N 3.27Å
627	A	73.8	Confident	67.3	Low	83 Å²	83	93.9 Å²	93.9	69%	0.686	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-55.4	140.6	170.2	0	0	0	0	0	109	K629	A627-K629 PolarHBondContact O-N 3.21Å
628	P	65	Low	64.4	Low	126 Å²	126	100.3 Å²	100.3	82%	0.818	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-50.9	130.4	172.4	-20.9	30	0	0	0	108.2	A630	P628-A630 VanDerWaalsContact C-N 3.32Å; P628-A630 PolarHBondContact O-N 3.03Å
629	K	55.8	Low	61.1	Low	171 Å²	171	105.4 Å²	105.4	74%	0.743	60%	0.603	S	S	*	*			trans	-62.5	103.6	169.3	-75.5	-177.8	-179.3	173.6	0	105.7	A627 D631	A627-K629 PolarHBondContact O-N 3.21Å; K629-D631 PolarHBondContact O-N 2.78Å
630	A	42.2	Very low	58	Low	84 Å²	84	110.3 Å²	110.3	69%	0.694	64%	0.644	S	S	*	*			trans	-55.4	125.2	166.5	0	0	0	0	0	106.7	P628 R632	P628-A630 VanDerWaalsContact C-N 3.32Å; P628-A630 PolarHBondContact O-N 3.03Å; A630-R632 PolarHBondContact O-N 3.43Å
631	D	38.4	Very low	54.8	Low	155 Å²	155	112.3 Å²	112.3	83%	0.829	67%	0.668	S	S	*	*			trans	-51.7	104.3	176.7	-68	-43.8	0	0	0	108.5	K629 E633	K629-D631 PolarHBondContact O-N 2.78Å; D631-E633 PolarHBondContact O-N 2.9Å
632	R	37.8	Very low	51.6	Low	248 Å²	248	117 Å²	117	94%	0.936	69%	0.693	S	S	*	*			trans	-79.8	67.5	168	-82.3	-174.4	172.1	-179.7	-3.5	107.7	A630	A630-R632 PolarHBondContact O-N 3.43Å
633	E	39.8	Very low	48.9	Very low	171 Å²	171	121.2 Å²	121.2	80%	0.799	72%	0.723	S	S	*	*			trans	-138	58.6	164.8	-97.2	-169	163.8	0	0	108.5	D631	D631-E633 PolarHBondContact O-N 2.9Å
634	Q	41.9	Very low	45.8	Very low	197 Å²	197	128.1 Å²	128.1	92%	0.921	77%	0.765	S	S	*	*			trans	175.6	87.2	151.9	-103.3	151.9	0.3	0	0	110.9
635	A	33.3	Very low	43	Very low	93 Å²	93	127.5 Å²	127.5	77%	0.769	77%	0.773	S	S	*	*			trans	-162.5	73.4	151.3	0	0	0	0	0	108.5
636	D	32.6	Very low	40.5	Very low	171 Å²	171	129.3 Å²	129.3	91%	0.914	79%	0.787	S	S	*	*			trans	-154.5	117.8	142.1	-96	-26.6	0	0	0	108.5
637	G	29.6	Very low	38.1	Very low	67 Å²	67	134.6 Å²	134.6	69%	0.691	81%	0.811	S	S	*	*			trans	-81.3	178.6	174.3	0	0	0	0	0	112.3
638	P	38.3	Very low	36.2	Very low	137 Å²	137	142.3 Å²	142.3	89%	0.89	82%	0.822	S	S	*	*				-96.4	142.7	-125.9	34.2	-34.4	0	0	0	114.2
639	A	28.5	Very low	34.6	Very low	106 Å²	106	145.8 Å²	145.8	88%	0.876	83%	0.825	S	S	*	*			trans	-131	112	152.1	0	0	0	0	0	109.3
640	A	31.2	Very low	33.6	Very low	104 Å²	104	148.1 Å²	148.1	86%	0.86	83%	0.829	S	S	*	*			trans	-13.9	125.3	172.8	0	0	0	0	0	119
641	A	29	Very low	33.4	Very low	100 Å²	100	150.9 Å²	150.9	83%	0.826	83%	0.832	S	S	*	*				-172.8	122.7	122.8	0	0	0	0	0	110.6
642	T	26.3	Very low	33.3	Very low	136 Å²	136	150.5 Å²	150.5	83%	0.834	83%	0.83	S	S	*	*			trans	-103.9	171.1	160.6	46.3	0	0	0	0	108.6
643	P	36.3	Very low	33.4	Very low	111 Å²	111	143.3 Å²	143.3	72%	0.721	81%	0.81	S	S	*	*				-134.7	157.3	-54	36.6	-21.6	0	0	0	111.3
644	V	27.5	Very low	33.5	Very low	150 Å²	150	141.4 Å²	141.4	91%	0.909	81%	0.805	S	S	*	*			trans	-137.1	129.2	152.7	-173.7	0	0	0	0	110.1
645	D	29.7	Very low	33.3	Very low	140 Å²	140	140.5 Å²	140.5	75%	0.749	80%	0.798	S	S	*	*			trans	-64	134.6	-175.6	-169.7	10.1	0	0	0	113.6
646	S	30.5	Very low	33.5	Very low	116 Å²	116	142.7 Å²	142.7	81%	0.811	79%	0.792	S	S	*	*			trans	-155.5	92.6	155.3	66.3	0	0	0	0	111.2
647	Q	32.7	Very low	33.8	Very low	160 Å²	160	143.4 Å²	143.4	75%	0.748	78%	0.782	S	S	*	*			trans	15.9	122	142.8	-69.2	177.5	-15.6	0	0	119.4
648	R	32.9	Very low	34.4	Very low	245 Å²	245	145.7 Å²	145.7	93%	0.925	78%	0.783	S	S	*	*			trans	-36.8	128.2	161.6	-72	168.2	168.1	164.8	-3.7	114.4
649	F	32	Very low	34.2	Very low	199 Å²	199	146 Å²	146	87%	0.873	78%	0.776	S	S	*	*			trans	-121.2	125.3	151	-89	-87.4	0	0	0	109.8
650	R	35	Very low	34.6	Very low	220 Å²	220	148.6 Å²	148.6	83%	0.83	77%	0.772	S	S	*	*			trans	-72.7	142.3	177.6	-75.9	176.9	175.7	171.2	-2.6	110.1	D652	R650-D652 PolarHBondContact O-N 2.99Å
651	N	37.7	Very low	34.6	Very low	143 Å²	143	148.6 Å²	148.6	77%	0.765	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	23.2	-174.3	-90.4	-17.9	0	0	0	116.1
652	D	36.7	Very low	34.9	Very low	147 Å²	147	155.3 Å²	155.3	79%	0.786	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	3.2	-175.9	-67	-31.2	0	0	0	114.4	R650	R650-D652 PolarHBondContact O-N 2.99Å
653	D	40.7	Very low	35.1	Very low	97 Å²	97	154.6 Å²	154.6	52%	0.519	77%	0.77	S	S	.	*	S	Bend	trans	-110.7	12.3	-175.6	-158.7	37	0	0	0	115.2	R657	D653-R657 IonicContact OD2-NE 2.89Å; D653-R657 IonicContact OD2-NH2 2.81Å
654	L	41.3	Very low	34.8	Very low	131 Å²	131	154.5 Å²	154.5	69%	0.686	77%	0.772	S	S	*	*	S	Bend	trans	-100.1	-8	179.2	-94.6	157.4	0	0	0	114.4
655	F	37.3	Very low	34.9	Very low	178 Å²	178	159.2 Å²	159.2	78%	0.781	77%	0.774	S	S	*	*	S	Bend	trans	-96.7	-20.9	-178.7	-136.7	-97.1	0	0	0	113.8
656	E	37	Very low	34.9	Very low	139 Å²	139	158.9 Å²	158.9	65%	0.65	78%	0.777	S	S	*	*	S	Bend	trans	-83.6	-22.9	175.3	-88.1	-104.4	144.6	0	0	113.3
657	R	40.3	Very low	34.9	Very low	186 Å²	186	162.2 Å²	162.2	70%	0.702	78%	0.782	S	S	*	*	S	Bend	trans	-84.2	-8.4	-177.6	-71.4	-172.7	-176.7	-162.7	2.3	115.5	D653	D653-R657 IonicContact OD2-NE 2.89Å; D653-R657 IonicContact OD2-NH2 2.81Å
658	V	40.6	Very low	34.7	Very low	115 Å²	115	162.8 Å²	162.8	70%	0.697	79%	0.79	S	S	*	*	S	Bend	trans	-94.3	-19.1	175.6	-179.1	0	0	0	0	111.8
659	L	35.4	Very low	34.8	Very low	144 Å²	144	162.1 Å²	162.1	75%	0.754	79%	0.788	S	S	*	*	S	Bend	trans	-85.4	-10.1	177.5	-82.9	155.8	0	0	0	114.2
660	M	36.1	Very low	34.7	Very low	159 Å²	159	163.5 Å²	163.5	78%	0.783	79%	0.787	S	S	*	*	S	Bend	trans	-107.3	3.7	-177	-78.3	-87.7	-176	0	0	115.3	R662	M660-R662 VanDerWaalsContact C-N 3.33Å; M660-R662 PolarHBondContact O-N 3.04Å
661	S	32.3	Very low	34.6	Very low	104 Å²	104	165.8 Å²	165.8	73%	0.727	81%	0.807	S	S	*	*			trans	-85.2	74.2	173.4	80.1	0	0	0	0	111.9	S663	S661-S663 PolarHBondContact O-N 3.24Å
662	R	33.8	Very low	34.5	Very low	241 Å²	241	167 Å²	167	91%	0.909	81%	0.809	S	S	*	*			trans	-75.4	111.8	160	-74.6	-176.3	174.8	-171.3	-1.1	108.8	M660	M660-R662 VanDerWaalsContact C-N 3.33Å; M660-R662 PolarHBondContact O-N 3.04Å
663	S	30.6	Very low	34.4	Very low	121 Å²	121	168 Å²	168	85%	0.846	81%	0.811	S	S	*	*			trans	-112.2	74.2	160.2	-173	0	0	0	0	109.6	S661	S661-S663 PolarHBondContact O-N 3.24Å
664	S	30.6	Very low	34	Very low	110 Å²	110	171.9 Å²	171.9	77%	0.769	83%	0.827	S	S	*	*			trans	-108.6	111.7	153.2	-65.2	0	0	0	0	106.3
665	R	30.8	Very low	33.6	Very low	248 Å²	248	174.4 Å²	174.4	94%	0.936	84%	0.835	S	S	*	*			trans	-112.1	90.4	161.9	-89.2	-172.9	175.5	-179.2	-0.4	108.4
666	T	29.7	Very low	33.3	Very low	133 Å²	133	174.1 Å²	174.1	82%	0.816	84%	0.839	S	S	*	*			trans	-66.9	129.1	148.8	29.3	0	0	0	0	108.6
667	M	29.8	Very low	33.1	Very low	186 Å²	186	176.5 Å²	176.5	92%	0.916	85%	0.851	S	S	*	*			trans	-58.4	138.9	158.2	-80.6	-169.9	164.7	0	0	109.2
668	N	28	Very low	32.6	Very low	173 Å²	173	175.8 Å²	175.8	93%	0.925	86%	0.862	S	S	*	*			trans	-136.6	138.7	151.6	-119.6	-9.7	0	0	0	110.7
669	R	34.7	Very low	32	Very low	230 Å²	230	180.5 Å²	180.5	87%	0.868	87%	0.874	S	S	*	*			trans	-86.7	148.4	-171.3	-172.4	-177.4	-176	-175.8	3	110.7
670	R	30.8	Very low	31.7	Very low	228 Å²	228	183.5 Å²	183.5	86%	0.86	88%	0.884	S	S	*	*			trans	131.3	106.3	146.1	-75.5	-176.5	177.1	-172.2	-0.3	113.1
671	Q	32.9	Very low	31.3	Very low	269 Å²	269	185.7 Å²	185.7	100%	1.257	89%	0.894	S	S	*	*				-137	0	91.1	-91.5	-179.9	-6.5	0	0	108.9

Retrieved 671 of 671 residues in 280.4 ms (Link to these results)

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